A0A077Z4N6_TRITR Loading...

Adh short domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4N6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 312 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.2Very low52.1Low247 Ų247146 Ų146100%1.21776%0.758SS**  01390-91.7171.1165.200109
2K43.5Very low53.4Low204 Ų204139.8 Ų139.889%0.88773%0.731SS**  trans-17.6114-169.3-69.5174.6177.7176.30116.7H4K2-H4 PolarHBondContact O-N 3.06Å; K2-H4 VanDerWaalsContact O-N 3.17Å
3T47Very low54.4Low125 Ų125142.6 Ų142.677%0.76773%0.726SS**  trans-56.5110.8167.747.90000110.2R5T3-R5 VanDerWaalsContact C-N 3.25Å; T3-R5 PolarHBondContact O-N 2.85Å
4H48Very low55.6Low190 Ų190138.1 Ų138.188%0.8871%0.713SS**  trans-63.889.6163.9-90.2-82.7000108.3K2 S6K2-H4 PolarHBondContact O-N 3.06Å; K2-H4 VanDerWaalsContact O-N 3.17Å; H4-S6 VanDerWaalsContact C-N 3.31Å; H4-S6 PolarHBondContact O-N 3.45Å
5R52.9Low56.6Low207 Ų207132.6 Ų132.678%0.78170%0.697SS**  trans-67.198.7162.9-83.3-175.9176.3179.5-0.8106.2T3 Y7T3-R5 VanDerWaalsContact C-N 3.25Å; T3-R5 PolarHBondContact O-N 2.85Å; R5-Y7 WeakPolarHBondContact O-CD2 3.5Å; R5-Y7 PolarHBondContact O-N 2.75Å
6S55.1Low57.8Low102 Ų102130.4 Ų130.471%0.71369%0.685SS**  trans-57.8100.1168.738.40000108.2H4 V8H4-S6 VanDerWaalsContact C-N 3.31Å; H4-S6 PolarHBondContact O-N 3.45Å; S6-V8 PolarHBondContact O-N 2.98Å
7Y53.5Low59.1Low213 Ų213132.4 Ų132.484%0.83569%0.687SS**  trans-66.983.6167-83.9-90.8000107.4R5 C9R5-Y7 WeakPolarHBondContact O-CD2 3.5Å; R5-Y7 PolarHBondContact O-N 2.75Å; Y7-C9 PolarHBondContact O-N 2.58Å; Y7-C9 VanDerWaalsContact O-N 3.12Å
8V58.1Low60.2Low67 Ų67132.4 Ų132.441%0.40668%0.681SS.*  trans-69.3108.4169.11800000106.3S6 V12 R13S6-V8 PolarHBondContact O-N 2.98Å; V8-V12 HydrophobicContact CG1-CB 3.75Å; V8-V12 HydrophobicContact CG1-CG1 3.76Å; V8-R13 HydrophobicContact CG1-CG 4.21Å
9C53.8Low61.4Low82 Ų82128.9 Ų128.955%0.55467%0.669SS**  trans-46.8135.5178.2-74.10000110.6Y7 G11 V12Y7-C9 PolarHBondContact O-N 2.58Å; Y7-C9 VanDerWaalsContact O-N 3.12Å; C9-G11 PolarHBondContact O-N 3.18Å; C9-V12 HydrophobicContact CB-CG2 4.17Å; C9-V12 WeakPolarHBondContact O-CB 3.45Å; C9-V12 PolarHBondContact O-N 3.27Å
10P60.6Low62.6Low117 Ų117127.3 Ų127.376%0.7666%0.661SS**Hα-helixtrans-50.5-33-179.9-2833.4000114.1V12 R13 S14P10-V12 VanDerWaalsContact C-N 3.31Å; P10-V12 PolarHBondContact O-N 2.82Å; P10-R13 PolarHBondContact O-N 3.41Å; P10-S14 PolarHBondContact O-N 3.31Å
11G63Low63.9Low52 Ų52126 Ų12654%0.53666%0.655SS.*Hα-helixtrans-60.6-33.6174.400000114.2C9 S14 A15C9-G11 PolarHBondContact O-N 3.18Å; G11-S14 PolarHBondContact O-N 3.32Å; G11-A15 WeakPolarHBondContact O-CB 3.14Å; G11-A15 PolarHBondContact O-N 3.09Å
12V68.7Low66.3Low72 Ų72118.8 Ų118.844%0.43662%0.62SS.*Hα-helixtrans-71-41.1-180177.90000111.1V8 C9 P10 S14 A15 L16V8-V12 HydrophobicContact CG1-CB 3.75Å; V8-V12 HydrophobicContact CG1-CG1 3.76Å; C9-V12 HydrophobicContact CB-CG2 4.17Å; C9-V12 WeakPolarHBondContact O-CB 3.45Å; C9-V12 PolarHBondContact O-N 3.27Å; P10-V12 VanDerWaalsContact C-N 3.31Å; P10-V12 PolarHBondContact O-N 2.82Å; V12-S14 PolarHBondContact O-N 3.35Å; V12-A15 PolarHBondContact O-N 2.99Å; V12-L16 HydrophobicContact CG1-CD1 3.86Å; V12-L16 WeakPolarHBondContact O-CB 3.32Å; V12-L16 PolarHBondContact O-N 3.24Å
13R66.1Low68.6Low176 Ų176112.4 Ų112.466%0.66460%0.599SS**Hα-helixtrans-65.8-37.9176.2-75.7-173.9178.8-172.70.1112.4V8 P10 K17V8-R13 HydrophobicContact CG1-CG 4.21Å; P10-R13 PolarHBondContact O-N 3.41Å; R13-K17 WeakPolarHBondContact O-CG 3.47Å; R13-K17 PolarHBondContact O-N 3.37Å; R13-K17 VanDerWaalsContact O-N 3.11Å
14S71.1Confident70.7Confident79 Ų79111.4 Ų111.455%0.55259%0.586SS**Hα-helixtrans-61.3-50.3173.3173.10000111.2P10 G11 V12 L16 K17 F18P10-S14 PolarHBondContact O-N 3.31Å; G11-S14 PolarHBondContact O-N 3.32Å; V12-S14 PolarHBondContact O-N 3.35Å; S14-L16 VanDerWaalsContact C-N 3.35Å; S14-L16 PolarHBondContact O-N 3.05Å; S14-K17 PolarHBondContact O-N 3.27Å; S14-F18 PolarHBondContact O-N 3.26Å
15A71Confident72.7Confident56 Ų56105.6 Ų105.646%0.46356%0.562SS.*Hα-helixtrans-59.8-41.5178.100000112.7G11 V12 F18 C19G11-A15 WeakPolarHBondContact O-CB 3.14Å; G11-A15 PolarHBondContact O-N 3.09Å; V12-A15 PolarHBondContact O-N 2.99Å; A15-F18 PolarHBondContact O-N 2.89Å; A15-C19 VanDerWaalsContact O-CB 3.27Å; A15-C19 WeakPolarHBondContact O-CB 3.44Å; A15-C19 PolarHBondContact O-N 3.47Å
16L75.7Confident74.5Confident97 Ų97100.7 Ų100.751%0.50855%0.55SS.*Hα-helixtrans-63.2-42.7175.5-99.2135.5000112.9V12 S14 C19 N20V12-L16 HydrophobicContact CG1-CD1 3.86Å; V12-L16 WeakPolarHBondContact O-CB 3.32Å; V12-L16 PolarHBondContact O-N 3.24Å; S14-L16 VanDerWaalsContact C-N 3.35Å; S14-L16 PolarHBondContact O-N 3.05Å; L16-C19 PolarHBondContact O-N 3.04Å; L16-N20 WeakPolarHBondContact O-CB 3.34Å; L16-N20 PolarHBondContact O-N 3.24Å; L16-N20 PolarHBondContact O-ND2 2.82Å
17K79.5Confident76.3Confident164 Ų164100.3 Ų100.371%0.71354%0.54SS*.Hα-helixtrans-64.1-42.4175.9-76.4-175.9178.2-174.30111.9R13 S14 N20 L21R13-K17 WeakPolarHBondContact O-CG 3.47Å; R13-K17 PolarHBondContact O-N 3.37Å; R13-K17 VanDerWaalsContact O-N 3.11Å; S14-K17 PolarHBondContact O-N 3.27Å; K17-N20 PolarHBondContact O-N 3.42Å; K17-L21 WeakPolarHBondContact O-CB 3.34Å; K17-L21 PolarHBondContact O-N 2.84Å
18F79Confident78.1Confident133 Ų13396.8 Ų96.858%0.58353%0.529SS*.Hα-helixtrans-64.3-44.3176.7-176-103.3000111.6S14 A15 L21 L22S14-F18 PolarHBondContact O-N 3.26Å; A15-F18 PolarHBondContact O-N 2.89Å; F18-L21 PolarHBondContact O-N 2.84Å; F18-L22 HydrophobicContact CD1-CD1 3.81Å; F18-L22 HydrophobicContact CD1-CG 4.41Å; F18-L22 HydrophobicContact CE1-CD1 3.38Å; F18-L22 HydrophobicContact CE1-CG 4.1Å; F18-L22 HydrophobicContact CZ-CD1 3.94Å; F18-L22 HydrophobicContact CZ-CD2 4.44Å; F18-L22 HydrophobicContact CZ-CG 4.26Å; F18-L22 WeakPolarHBondContact O-CG 3.43Å; F18-L22 PolarHBondContact O-N 2.77Å
19C82.3Confident79.6Confident67 Ų67102.5 Ų102.545%0.45354%0.543SS..Hα-helixtrans-59.6-46.7174.3-169.60000111.5A15 L16 L21 L22 V23A15-C19 VanDerWaalsContact O-CB 3.27Å; A15-C19 WeakPolarHBondContact O-CB 3.44Å; A15-C19 PolarHBondContact O-N 3.47Å; L16-C19 PolarHBondContact O-N 3.04Å; C19-L21 VanDerWaalsContact C-N 3.33Å; C19-L21 PolarHBondContact O-N 2.95Å; C19-L22 PolarHBondContact O-N 3.17Å; C19-V23 VanDerWaalsContact O-CG2 3.29Å; C19-V23 WeakPolarHBondContact O-CG2 3.35Å; C19-V23 PolarHBondContact O-N 2.9Å
20N86.9Confident81.4Confident95 Ų95103 Ų10351%0.50854%0.539SS..Hα-helixtrans-61.1-40.1176.1-73.5-13000112.1L16 K17 V23 M24L16-N20 WeakPolarHBondContact O-CB 3.34Å; L16-N20 PolarHBondContact O-N 3.24Å; L16-N20 PolarHBondContact O-ND2 2.82Å; K17-N20 PolarHBondContact O-N 3.42Å; N20-V23 PolarHBondContact O-N 3.01Å; N20-M24 VanDerWaalsContact O-CB 3.32Å; N20-M24 WeakPolarHBondContact O-CB 3.44Å; N20-M24 WeakPolarHBondContact O-CG 3.47Å; N20-M24 PolarHBondContact O-N 2.76Å
21L88.6Confident82.9Confident102 Ų102100.1 Ų100.153%0.53453%0.525SS..Hα-helixtrans-65-42.8176.8-175.265.4000111.9K17 F18 C19 M24 N25K17-L21 WeakPolarHBondContact O-CB 3.34Å; K17-L21 PolarHBondContact O-N 2.84Å; F18-L21 PolarHBondContact O-N 2.84Å; C19-L21 VanDerWaalsContact C-N 3.33Å; C19-L21 PolarHBondContact O-N 2.95Å; L21-M24 PolarHBondContact O-N 2.83Å; L21-N25 WeakPolarHBondContact O-CB 3.45Å; L21-N25 PolarHBondContact O-N 3.17Å; L21-N25 PolarHBondContact O-ND2 3.4Å
22L88.3Confident84.2Confident94 Ų94102.4 Ų102.449%0.49253%0.525SS..Hα-helixtrans-62-46.8175.4-74.3175.5000111.7F18 C19 N25 L26F18-L22 HydrophobicContact CD1-CD1 3.81Å; F18-L22 HydrophobicContact CD1-CG 4.41Å; F18-L22 HydrophobicContact CE1-CD1 3.38Å; F18-L22 HydrophobicContact CE1-CG 4.1Å; F18-L22 HydrophobicContact CZ-CD1 3.94Å; F18-L22 HydrophobicContact CZ-CD2 4.44Å; F18-L22 HydrophobicContact CZ-CG 4.26Å; F18-L22 WeakPolarHBondContact O-CG 3.43Å; F18-L22 PolarHBondContact O-N 2.77Å; C19-L22 PolarHBondContact O-N 3.17Å; L22-N25 PolarHBondContact O-N 3.13Å; L22-L26 WeakPolarHBondContact O-CB 3.46Å; L22-L26 PolarHBondContact O-N 3.09Å
23V90.9Very high85Confident71 Ų71103.8 Ų103.843%0.4353%0.529SS..Hα-helixtrans-61.9-46.4177.6172.70000110.6C19 N20 N25 L26 L27C19-V23 VanDerWaalsContact O-CG2 3.29Å; C19-V23 WeakPolarHBondContact O-CG2 3.35Å; C19-V23 PolarHBondContact O-N 2.9Å; N20-V23 PolarHBondContact O-N 3.01Å; V23-N25 VanDerWaalsContact C-N 3.34Å; V23-N25 PolarHBondContact O-N 3.43Å; V23-L26 PolarHBondContact O-N 2.72Å; V23-L27 HydrophobicContact CG1-CD1 4.01Å; V23-L27 HydrophobicContact CG1-CG 4.35Å; V23-L27 WeakPolarHBondContact O-CB 3.16Å; V23-L27 VanDerWaalsContact O-CG 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.38Å; V23-L27 PolarHBondContact O-N 3.37Å
24M91.6Very high86.2Confident103 Ų103102.4 Ų102.451%0.50753%0.528SS..Hα-helixtrans-63.5-38.3177.6-71.6-60-65.300112.5N20 L21 L27 K28N20-M24 VanDerWaalsContact O-CB 3.32Å; N20-M24 WeakPolarHBondContact O-CB 3.44Å; N20-M24 WeakPolarHBondContact O-CG 3.47Å; N20-M24 PolarHBondContact O-N 2.76Å; L21-M24 PolarHBondContact O-N 2.83Å; M24-L27 HydrophobicContact SD-CD1 4.29Å; M24-K28 WeakPolarHBondContact O-CG 3.07Å; M24-K28 PolarHBondContact O-N 3.11Å
25N89.7Confident87.2Confident68 Ų68102.2 Ų102.236%0.36452%0.524SS..Hα-helixtrans-67.7-39.8175.3-75.8-21.2000112L21 L22 V23 K28 R29L21-N25 WeakPolarHBondContact O-CB 3.45Å; L21-N25 PolarHBondContact O-N 3.17Å; L21-N25 PolarHBondContact O-ND2 3.4Å; L22-N25 PolarHBondContact O-N 3.13Å; V23-N25 VanDerWaalsContact C-N 3.34Å; V23-N25 PolarHBondContact O-N 3.43Å; N25-K28 PolarHBondContact O-N 3.47Å; N25-R29 WeakPolarHBondContact O-CG 3.38Å; N25-R29 PolarHBondContact O-N 3.3Å
26L90.8Very high88Confident104 Ų104104.9 Ų104.955%0.54553%0.526SS..Hα-helixtrans-63.9-46.2174.518061000111.1L22 V23 K28 R29 I30L22-L26 WeakPolarHBondContact O-CB 3.46Å; L22-L26 PolarHBondContact O-N 3.09Å; V23-L26 PolarHBondContact O-N 2.72Å; L26-K28 VanDerWaalsContact C-N 3.33Å; L26-K28 PolarHBondContact O-N 2.94Å; L26-R29 PolarHBondContact O-N 2.97Å; L26-R29 VanDerWaalsContact O-N 3.13Å; L26-I30 HydrophobicContact CD1-CD1 4.1Å; L26-I30 HydrophobicContact CD1-CG1 4.32Å; L26-I30 HydrophobicContact CG-CD1 3.89Å; L26-I30 WeakPolarHBondContact O-CG1 3.31Å; L26-I30 PolarHBondContact O-N 2.96Å
27L93.7Very high88.6Confident95 Ų95102.9 Ų102.950%0.49752%0.52SS..Hα-helixtrans-59.3-42.5176.7-72.6173.5000112V23 M24 R29 I30 A31V23-L27 HydrophobicContact CG1-CD1 4.01Å; V23-L27 HydrophobicContact CG1-CG 4.35Å; V23-L27 WeakPolarHBondContact O-CB 3.16Å; V23-L27 VanDerWaalsContact O-CG 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.38Å; V23-L27 PolarHBondContact O-N 3.37Å; M24-L27 HydrophobicContact SD-CD1 4.29Å; L27-R29 PolarHBondContact O-N 3.48Å; L27-I30 PolarHBondContact O-N 3.03Å; L27-A31 WeakPolarHBondContact O-CB 3.38Å; L27-A31 PolarHBondContact O-N 2.9Å
28K91.7Very high89.1Confident138 Ų13898.1 Ų98.160%0.650%0.504SS*.Hα-helixtrans-61.6-41.9174.2-74.8175.7-178.1-177.50112.4M24 N25 L26 A31 L32M24-K28 WeakPolarHBondContact O-CG 3.07Å; M24-K28 PolarHBondContact O-N 3.11Å; N25-K28 PolarHBondContact O-N 3.47Å; L26-K28 VanDerWaalsContact C-N 3.33Å; L26-K28 PolarHBondContact O-N 2.94Å; K28-A31 PolarHBondContact O-N 3.33Å; K28-L32 WeakPolarHBondContact O-CB 3.41Å; K28-L32 PolarHBondContact O-N 3.03Å
29R88.7Confident89.7Confident187 Ų18796.8 Ų96.871%0.70650%0.503SS*.Hα-helixtrans-65.7-41.4177.3-73.2174-177.1-89.31111.9N25 L26 L27 L32 L33N25-R29 WeakPolarHBondContact O-CG 3.38Å; N25-R29 PolarHBondContact O-N 3.3Å; L26-R29 PolarHBondContact O-N 2.97Å; L26-R29 VanDerWaalsContact O-N 3.13Å; L27-R29 PolarHBondContact O-N 3.48Å; R29-L32 PolarHBondContact O-N 3.42Å; R29-L33 WeakPolarHBondContact O-CB 3.37Å; R29-L33 PolarHBondContact O-N 3.28Å
30I91.8Very high89.9Confident93 Ų9395.1 Ų95.148%0.47750%0.496SS..Hα-helixtrans-64.5-44175.7-67.3167.6000110.6L26 L27 L33 F34L26-I30 HydrophobicContact CD1-CD1 4.1Å; L26-I30 HydrophobicContact CD1-CG1 4.32Å; L26-I30 HydrophobicContact CG-CD1 3.89Å; L26-I30 WeakPolarHBondContact O-CG1 3.31Å; L26-I30 PolarHBondContact O-N 2.96Å; L27-I30 PolarHBondContact O-N 3.03Å; I30-L33 WeakPolarHBondContact O-CB 3.32Å; I30-L33 PolarHBondContact O-N 2.94Å; I30-F34 PolarHBondContact O-N 3.42Å
31A92.5Very high89.9Confident56 Ų5699.2 Ų99.246%0.46351%0.506SS..Hα-helixtrans-62.3-43.4176.600000111.8L27 K28 F34 V35L27-A31 WeakPolarHBondContact O-CB 3.38Å; L27-A31 PolarHBondContact O-N 2.9Å; K28-A31 PolarHBondContact O-N 3.33Å; A31-F34 PolarHBondContact O-N 3.29Å; A31-V35 WeakPolarHBondContact O-CG2 3.42Å; A31-V35 PolarHBondContact O-N 3.38Å
32L89.4Confident89.9Confident101 Ų10199 Ų9953%0.52950%0.504SS..Hα-helixtrans-63-43.5175.5-178.862.4000111.8K28 R29 F34 V35 Q36K28-L32 WeakPolarHBondContact O-CB 3.41Å; K28-L32 PolarHBondContact O-N 3.03Å; R29-L32 PolarHBondContact O-N 3.42Å; L32-F34 VanDerWaalsContact C-N 3.32Å; L32-F34 PolarHBondContact O-N 2.96Å; L32-V35 PolarHBondContact O-N 2.85Å; L32-Q36 HydrophobicContact CD1-CG 4.44Å; L32-Q36 HydrophobicContact CG-CG 4.5Å; L32-Q36 WeakPolarHBondContact O-CB 3.34Å; L32-Q36 WeakPolarHBondContact O-CG 3.29Å; L32-Q36 PolarHBondContact O-N 3.05Å
33L86.1Confident89.8Confident100 Ų10097 Ų9752%0.52450%0.501SS..Hα-helixtrans-57.5-46.4175.1175.164.2000110.9R29 I30 V35 Q36 C37R29-L33 WeakPolarHBondContact O-CB 3.37Å; R29-L33 PolarHBondContact O-N 3.28Å; I30-L33 WeakPolarHBondContact O-CB 3.32Å; I30-L33 PolarHBondContact O-N 2.94Å; L33-V35 PolarHBondContact O-N 3.18Å; L33-Q36 PolarHBondContact O-N 2.64Å; L33-C37 PolarHBondContact O-N 3.28Å; L33-C37 PolarHBondContact O-SG 3Å
34F90.8Very high89.5Confident148 Ų14896.9 Ų96.965%0.64950%0.503SS*.Hα-helixtrans-59.9-45177.8-176.3-96.5000112I30 A31 L32 Q36 C37 V38I30-F34 PolarHBondContact O-N 3.42Å; A31-F34 PolarHBondContact O-N 3.29Å; L32-F34 VanDerWaalsContact C-N 3.32Å; L32-F34 PolarHBondContact O-N 2.96Å; F34-Q36 VanDerWaalsContact C-N 3.35Å; F34-Q36 PolarHBondContact O-N 2.84Å; F34-C37 PolarHBondContact O-N 2.84Å; F34-V38 HydrophobicContact CD1-CG2 4.25Å; F34-V38 HydrophobicContact CE1-CG2 3.87Å; F34-V38 HydrophobicContact CZ-CG2 4.08Å; F34-V38 WeakPolarHBondContact O-CG2 3.23Å; F34-V38 PolarHBondContact O-N 3.41Å
35V91.5Very high89.2Confident75 Ų7598.4 Ų98.446%0.45551%0.507SS..Hα-helixtrans-60.6-44.3175.5172.20000111.1A31 L32 L33 V38 I39A31-V35 WeakPolarHBondContact O-CG2 3.42Å; A31-V35 PolarHBondContact O-N 3.38Å; L32-V35 PolarHBondContact O-N 2.85Å; L33-V35 PolarHBondContact O-N 3.18Å; V35-V38 PolarHBondContact O-N 3.27Å; V35-I39 HydrophobicContact CG1-CD1 3.85Å; V35-I39 HydrophobicContact CG1-CG1 4.5Å; V35-I39 WeakPolarHBondContact O-CG1 3.45Å; V35-I39 PolarHBondContact O-N 3.4Å
36Q88.3Confident89Confident111 Ų111100 Ų10052%0.51952%0.515SS..Hα-helixtrans-63-40.9177-73.5174.8-27.500112.1L32 L33 F34 I39 G40L32-Q36 HydrophobicContact CD1-CG 4.44Å; L32-Q36 HydrophobicContact CG-CG 4.5Å; L32-Q36 WeakPolarHBondContact O-CB 3.34Å; L32-Q36 WeakPolarHBondContact O-CG 3.29Å; L32-Q36 PolarHBondContact O-N 3.05Å; L33-Q36 PolarHBondContact O-N 2.64Å; F34-Q36 VanDerWaalsContact C-N 3.35Å; F34-Q36 PolarHBondContact O-N 2.84Å; Q36-I39 PolarHBondContact O-N 2.94Å; Q36-G40 PolarHBondContact O-N 3.49Å
37C89.1Confident88.7Confident56 Ų56100.2 Ų100.238%0.37851%0.513SS..Hα-helixtrans-61.4-45.6174.3-68.90000111.4L33 F34 G40 Y41L33-C37 PolarHBondContact O-N 3.28Å; L33-C37 PolarHBondContact O-SG 3Å; F34-C37 PolarHBondContact O-N 2.84Å; C37-G40 PolarHBondContact O-N 3Å; C37-Y41 HydrophobicContact CB-CE2 4.44Å; C37-Y41 WeakPolarHBondContact O-CD2 3.26Å; C37-Y41 PolarHBondContact O-N 2.77Å
38V90.4Very high88.1Confident63 Ų63103.1 Ų103.138%0.38252%0.519SS..Hα-helixtrans-61.2-46.2177.8171.80000111.1F34 V35 G40 Y41 I42F34-V38 HydrophobicContact CD1-CG2 4.25Å; F34-V38 HydrophobicContact CE1-CG2 3.87Å; F34-V38 HydrophobicContact CZ-CG2 4.08Å; F34-V38 WeakPolarHBondContact O-CG2 3.23Å; F34-V38 PolarHBondContact O-N 3.41Å; V35-V38 PolarHBondContact O-N 3.27Å; V38-G40 VanDerWaalsContact C-N 3.32Å; V38-G40 PolarHBondContact O-N 3.45Å; V38-Y41 PolarHBondContact O-N 2.73Å; V38-I42 HydrophobicContact CG1-CD1 3.91Å; V38-I42 VanDerWaalsContact O-CG1 3.32Å; V38-I42 WeakPolarHBondContact O-CG1 3.49Å; V38-I42 PolarHBondContact O-N 2.98Å
39I90.6Very high87.9Confident106 Ų106103.4 Ų103.454%0.54452%0.52SS..Hα-helixtrans-59.9-44.8175.3-67.7168000110.5V35 Q36 I42 A43V35-I39 HydrophobicContact CG1-CD1 3.85Å; V35-I39 HydrophobicContact CG1-CG1 4.5Å; V35-I39 WeakPolarHBondContact O-CG1 3.45Å; V35-I39 PolarHBondContact O-N 3.4Å; Q36-I39 PolarHBondContact O-N 2.94Å; I39-I42 PolarHBondContact O-N 3.44Å; I39-A43 WeakPolarHBondContact O-CB 3.4Å; I39-A43 PolarHBondContact O-N 3.38Å
40G85.8Confident87.9Confident31 Ų3197.5 Ų97.532%0.3251%0.512SS..Hα-helixtrans-57.6-49.8177.200000112.3Q36 C37 V38 I42 A43 S44Q36-G40 PolarHBondContact O-N 3.49Å; C37-G40 PolarHBondContact O-N 3Å; V38-G40 VanDerWaalsContact C-N 3.32Å; V38-G40 PolarHBondContact O-N 3.45Å; G40-I42 VanDerWaalsContact C-N 3.35Å; G40-I42 PolarHBondContact O-N 2.85Å; G40-A43 PolarHBondContact O-N 2.99Å; G40-S44 WeakPolarHBondContact O-CB 3.38Å; G40-S44 PolarHBondContact O-N 2.89Å; G40-S44 PolarHBondContact O-OG 3.28Å; G40-S44 VanDerWaalsContact O-OG 3.08Å
41Y86.6Confident87.6Confident182 Ų18295.9 Ų95.971%0.71450%0.502SS*.Hα-helixtrans-61.3-41177.1-77.2-62.3000112.9C37 V38 F45C37-Y41 HydrophobicContact CB-CE2 4.44Å; C37-Y41 WeakPolarHBondContact O-CD2 3.26Å; C37-Y41 PolarHBondContact O-N 2.77Å; V38-Y41 PolarHBondContact O-N 2.73Å; Y41-F45 VanDerWaalsContact O-CB 3.28Å; Y41-F45 WeakPolarHBondContact O-CB 3.47Å; Y41-F45 PolarHBondContact O-N 3.09Å
42I89.1Confident87.5Confident97 Ų97101.7 Ų101.750%0.49752%0.517SS..Hα-helixtrans-64-44.8176.3-67.8167.5000110.3V38 I39 G40 F45 I46V38-I42 HydrophobicContact CG1-CD1 3.91Å; V38-I42 VanDerWaalsContact O-CG1 3.32Å; V38-I42 WeakPolarHBondContact O-CG1 3.49Å; V38-I42 PolarHBondContact O-N 2.98Å; I39-I42 PolarHBondContact O-N 3.44Å; G40-I42 VanDerWaalsContact C-N 3.35Å; G40-I42 PolarHBondContact O-N 2.85Å; I42-F45 PolarHBondContact O-N 2.89Å; I42-I46 HydrophobicContact CG2-CD1 3.91Å; I42-I46 WeakPolarHBondContact O-CG1 3.46Å; I42-I46 PolarHBondContact O-N 2.95Å
43A87.4Confident87.8Confident51 Ų51100.2 Ų100.242%0.42151%0.513SS..Hα-helixtrans-62.1-48.5177.800000111.6I39 G40 F45 I46 E47I39-A43 WeakPolarHBondContact O-CB 3.4Å; I39-A43 PolarHBondContact O-N 3.38Å; G40-A43 PolarHBondContact O-N 2.99Å; A43-F45 VanDerWaalsContact C-N 3.29Å; A43-F45 PolarHBondContact O-N 3.23Å; A43-I46 PolarHBondContact O-N 3.06Å; A43-E47 WeakPolarHBondContact O-CB 3.32Å; A43-E47 PolarHBondContact O-N 3.05Å
44S83.1Confident88.2Confident69 Ų6998.2 Ų98.248%0.48350%0.5SS..Hα-helixtrans-61.4-36.4176.3-59.30000112.5G40 Y48G40-S44 WeakPolarHBondContact O-CB 3.38Å; G40-S44 PolarHBondContact O-N 2.89Å; G40-S44 PolarHBondContact O-OG 3.28Å; G40-S44 VanDerWaalsContact O-OG 3.08Å; S44-Y48 WeakPolarHBondContact O-CB 3.26Å; S44-Y48 PolarHBondContact O-N 3.23Å
45F85.1Confident88.6Confident135 Ų13595.1 Ų95.159%0.59250%0.497SS*.Hα-helixtrans-64.6-47.4174.5-176.8-91.3000111.3Y41 I42 A43 E47 Y48 F49Y41-F45 VanDerWaalsContact O-CB 3.28Å; Y41-F45 WeakPolarHBondContact O-CB 3.47Å; Y41-F45 PolarHBondContact O-N 3.09Å; I42-F45 PolarHBondContact O-N 2.89Å; A43-F45 VanDerWaalsContact C-N 3.29Å; A43-F45 PolarHBondContact O-N 3.23Å; F45-E47 VanDerWaalsContact C-N 3.34Å; F45-E47 PolarHBondContact O-N 2.87Å; F45-Y48 PolarHBondContact O-N 3.5Å; F45-F49 HydrophobicContact CD1-CD2 4.21Å; F45-F49 HydrophobicContact CD1-CE2 4.35Å; F45-F49 HydrophobicContact CD2-CE2 4.04Å; F45-F49 AromaticContact CE1-CD2 3.92Å; F45-F49 HydrophobicContact CE1-CD2 3.92Å; F45-F49 AromaticContact CE1-CE2 3.84Å; F45-F49 HydrophobicContact CE1-CE2 3.84Å; F45-F49 HydrophobicContact CE2-CD2 4.28Å; F45-F49 AromaticContact CE2-CE2 3.5Å; F45-F49 HydrophobicContact CE2-CE2 3.5Å; F45-F49 HydrophobicContact CE2-CZ 4.4Å; F45-F49 HydrophobicContact CG-CE2 4.44Å; F45-F49 AromaticContact CZ-CD2 3.96Å; F45-F49 HydrophobicContact CZ-CD2 3.96Å; F45-F49 AromaticContact CZ-CE2 3.38Å; F45-F49 HydrophobicContact CZ-CE2 3.38Å; F45-F49 HydrophobicContact CZ-CZ 4.25Å; F45-F49 VanDerWaalsContact O-CD2 3.3Å; F45-F49 WeakPolarHBondContact O-CD2 3.31Å; F45-F49 PolarHBondContact O-N 3.45Å
46I87.3Confident88.9Confident103 Ų10391.9 Ų91.953%0.52848%0.477SS..Hα-helixtrans-60.4-46.5176.1-68166.2000110.4I42 A43 Y48 F49 A50I42-I46 HydrophobicContact CG2-CD1 3.91Å; I42-I46 WeakPolarHBondContact O-CG1 3.46Å; I42-I46 PolarHBondContact O-N 2.95Å; A43-I46 PolarHBondContact O-N 3.06Å; I46-Y48 PolarHBondContact O-N 3.39Å; I46-F49 PolarHBondContact O-N 3.43Å; I46-A50 VanDerWaalsContact O-CB 3.23Å; I46-A50 WeakPolarHBondContact O-CB 3.34Å; I46-A50 PolarHBondContact O-N 2.97Å
47E83Confident89.4Confident107 Ų10789.9 Ų89.950%0.547%0.473SS..Hα-helixtrans-58.7-46.7179.5-171.3-175170.600111.4A43 F45 F49 A50 Q51A43-E47 WeakPolarHBondContact O-CB 3.32Å; A43-E47 PolarHBondContact O-N 3.05Å; F45-E47 VanDerWaalsContact C-N 3.34Å; F45-E47 PolarHBondContact O-N 2.87Å; E47-F49 VanDerWaalsContact C-N 3.25Å; E47-F49 PolarHBondContact O-N 2.85Å; E47-A50 PolarHBondContact O-N 2.83Å; E47-Q51 HydrophobicContact CG-CG 4.01Å; E47-Q51 WeakPolarHBondContact O-CB 3.46Å; E47-Q51 VanDerWaalsContact O-CG 3.27Å; E47-Q51 WeakPolarHBondContact O-CG 3.26Å; E47-Q51 PolarHBondContact O-N 2.87Å; E47-Q51 PolarHBondContact OE1-NE2 2.91Å
48Y82.7Confident89.8Confident156 Ų15693.1 Ų93.161%0.61248%0.482SS*.Hα-helixtrans-54.1-40.2178.1177.8-95.6000113S44 F45 I46S44-Y48 WeakPolarHBondContact O-CB 3.26Å; S44-Y48 PolarHBondContact O-N 3.23Å; F45-Y48 PolarHBondContact O-N 3.5Å; I46-Y48 PolarHBondContact O-N 3.39Å
49F87.1Confident90.2Very high144 Ų14494.4 Ų94.463%0.63248%0.483SS*.Hα-helixtrans-85.6-21.8178.1-73.7-77.8000114F45 I46 E47F45-F49 HydrophobicContact CD1-CD2 4.21Å; F45-F49 HydrophobicContact CD1-CE2 4.35Å; F45-F49 HydrophobicContact CD2-CE2 4.04Å; F45-F49 AromaticContact CE1-CD2 3.92Å; F45-F49 HydrophobicContact CE1-CD2 3.92Å; F45-F49 AromaticContact CE1-CE2 3.84Å; F45-F49 HydrophobicContact CE1-CE2 3.84Å; F45-F49 HydrophobicContact CE2-CD2 4.28Å; F45-F49 AromaticContact CE2-CE2 3.5Å; F45-F49 HydrophobicContact CE2-CE2 3.5Å; F45-F49 HydrophobicContact CE2-CZ 4.4Å; F45-F49 HydrophobicContact CG-CE2 4.44Å; F45-F49 AromaticContact CZ-CD2 3.96Å; F45-F49 HydrophobicContact CZ-CD2 3.96Å; F45-F49 AromaticContact CZ-CE2 3.38Å; F45-F49 HydrophobicContact CZ-CE2 3.38Å; F45-F49 HydrophobicContact CZ-CZ 4.25Å; F45-F49 VanDerWaalsContact O-CD2 3.3Å; F45-F49 WeakPolarHBondContact O-CD2 3.31Å; F45-F49 PolarHBondContact O-N 3.45Å; I46-F49 PolarHBondContact O-N 3.43Å; E47-F49 VanDerWaalsContact C-N 3.25Å; E47-F49 PolarHBondContact O-N 2.85Å
50A87.8Confident90.6Very high64 Ų6489.6 Ų89.653%0.52946%0.458SS..Hα-helixtrans-91.3-17.6-179.200000113.6I46 E47 K52I46-A50 VanDerWaalsContact O-CB 3.23Å; I46-A50 WeakPolarHBondContact O-CB 3.34Å; I46-A50 PolarHBondContact O-N 2.97Å; E47-A50 PolarHBondContact O-N 2.83Å; A50-K52 PolarHBondContact O-N 3.15Å
51Q85.9Confident91.2Very high58 Ų5888.1 Ų88.127%0.27144%0.443SS..  trans-58131.3-177.2-92.717810.100112E47 Y279E47-Q51 HydrophobicContact CG-CG 4.01Å; E47-Q51 WeakPolarHBondContact O-CB 3.46Å; E47-Q51 VanDerWaalsContact O-CG 3.27Å; E47-Q51 WeakPolarHBondContact O-CG 3.26Å; E47-Q51 PolarHBondContact O-N 2.87Å; E47-Q51 PolarHBondContact OE1-NE2 2.91Å; Q51-Y279 HydrophobicContact CB-CD1 4.14Å
52K90.9Very high91.8Very high178 Ų17879.4 Ų79.477%0.77441%0.409SS*.  trans-117.9142.8173.8-69.8178.5-176177.40108.9A50 K54A50-K52 PolarHBondContact O-N 3.15Å; K52-K54 PolarHBondContact O-N 2.79Å
53P95.4Very high92.2Very high71 Ų7174.8 Ų74.846%0.46139%0.385SS..PPolyproline II helixtrans-64.4133.1176.328.5-33.5000109.2L278 Y279P53-L278 CarbonylContact C-O 3.45Å; P53-L278 WeakPolarHBondContact CA-O 3.26Å; P53-L278 HydrophobicContact CB-CB 4.06Å; P53-Y279 HydrophobicContact CB-CE1 4.19Å; P53-Y279 HydrophobicContact CB-CE2 4.31Å; P53-Y279 HydrophobicContact CG-CE1 4.42Å
54K95.4Very high92.8Very high57 Ų5772.6 Ų72.625%0.24837%0.366CS..PPolyproline II helixtrans-70149.2172.271.8-177.9174.4-176.20111K52 H190 I277 L278 E280K52-K54 PolarHBondContact O-N 2.79Å; K54-H190 PolarHBondContact NZ-ND1 3.41Å; K54-I277 VanDerWaalsContact CE-O 3.26Å; K54-I277 WeakPolarHBondContact CE-O 3.4Å; K54-L278 PolarHBondContact N-O 2.74Å; K54-L278 WeakPolarHBondContact O-CD2 3.31Å; K54-E280 HydrophobicContact CD-CG 4.03Å; K54-E280 VanDerWaalsContact CD-OE1 3.26Å; K54-E280 WeakPolarHBondContact CD-OE1 3.47Å; K54-E280 IonicContact NZ-OE1 3.73Å; K54-E280 PolarHBondContact NZ-OE1 3.45Å
55S97.5Very high93.5Very high83 Ų8370.1 Ų70.158%0.5835%0.352SS*.PPolyproline II helixtrans-73.4134.7171.6-176.70000110.5V57S55-V57 PolarHBondContact OG-N 3.13Å
56V98.3Very high94.1Very high7 Ų763.7 Ų63.74%0.04232%0.323CS..  trans-110.26.2173.2-660000112.5H58 K59 I61 F78 M81 A83 L278V56-H58 PolarHBondContact O-N 3.06Å; V56-K59 HydrophobicContact CB-CB 4.49Å; V56-K59 WeakPolarHBondContact O-CB 3.33Å; V56-K59 PolarHBondContact O-N 3.43Å; V56-I61 HydrophobicContact CB-CD1 4.34Å; V56-I61 HydrophobicContact CG1-CD1 4.32Å; V56-F78 HydrophobicContact CB-CD1 4.42Å; V56-F78 HydrophobicContact CG1-CD1 4.38Å; V56-F78 HydrophobicContact CG1-CE1 4.08Å; V56-F78 HydrophobicContact CG2-CD1 4.09Å; V56-F78 HydrophobicContact CG2-CE1 4.42Å; V56-M81 HydrophobicContact CG2-CB 3.69Å; V56-M81 HydrophobicContact CG2-SD 4.16Å; V56-A83 HydrophobicContact CB-CB 4.33Å; V56-A83 WeakPolarHBondContact O-CA 3.48Å; V56-A83 WeakPolarHBondContact O-CB 3.41Å; V56-L278 HydrophobicContact CG1-CD2 3.62Å; V56-L278 HydrophobicContact CG2-CD2 4.16Å
57V98.5Very high94.5Very high70 Ų7058.8 Ų58.842%0.42430%0.299SS..THydrogen-bonded Turntrans-60.8124.8179178.90000109.3S55 K59 K82S55-V57 PolarHBondContact OG-N 3.13Å; V57-K59 PolarHBondContact O-N 3.04Å; V57-K82 HydrophobicContact CG1-CB 4.18Å
58H97.8Very high95.1Very high124 Ų12458.1 Ų58.157%0.57430%0.295SS*.THydrogen-bonded Turntrans60.36.7-175.5-52.9-49.2000116.1V56 K82V56-H58 PolarHBondContact O-N 3.06Å; H58-K82 PolarHBondContact N-O 3.49Å
59K98.4Very high95.7Very high89 Ų8951.7 Ų51.739%0.38728%0.277SS..  trans-72.8146.6173.5-65-70.1-179.1-178.80110.6V56 V57 K84 D139V56-K59 HydrophobicContact CB-CB 4.49Å; V56-K59 WeakPolarHBondContact O-CB 3.33Å; V56-K59 PolarHBondContact O-N 3.43Å; V57-K59 PolarHBondContact O-N 3.04Å; K59-K84 PolarHBondContact O-N 2.96Å; K59-D139 WeakPolarHBondContact CA-OD2 3.28Å; K59-D139 HydrophobicContact CB-CB 4.17Å; K59-D139 HydrophobicContact CD-CB 3.87Å; K59-D139 WeakPolarHBondContact CD-OD1 3.42Å; K59-D139 VanDerWaalsContact CD-OD2 3.31Å; K59-D139 WeakPolarHBondContact CD-OD2 3.38Å; K59-D139 IonicContact NZ-OD1 2.72Å; K59-D139 PolarHBondContact NZ-OD1 3.03Å
60V98.8Very high96.2Very high5 Ų546 Ų463%0.0325%0.252CS..EExtended strand (participates in β ladder)trans-93.9120.1178.2178.50000109.2K84 V86 L135 P138 D139 V140V60-K84 CarbonylContact C-O 3.56Å; V60-K84 WeakPolarHBondContact CA-O 3.44Å; V60-K84 HydrophobicContact CG2-CB 4.26Å; V60-K84 HydrophobicContact CG2-CD 4.15Å; V60-V86 HydrophobicContact CG1-CG2 3.93Å; V60-L135 HydrophobicContact CG1-CD2 4.19Å; V60-L135 HydrophobicContact CG2-CB 4.46Å; V60-L135 HydrophobicContact CG2-CD2 4.23Å; V60-P138 HydrophobicContact CG1-CB 4.09Å; V60-P138 HydrophobicContact CG1-CG 4.18Å; V60-P138 CarbonylContact O-C 3.47Å; V60-D139 PolarHBondContact N-OD2 2.86Å; V60-D139 PolarHBondContact O-N 3.34Å; V60-V140 PolarHBondContact O-N 3.24Å; V60-V140 VanDerWaalsContact O-N 3.15Å
61I98.8Very high96.7Very high0 Ų043 Ų430%023%0.228CC..EExtended strand (participates in β ladder)trans-119.6106.7-178.6-57.1-179.4000108V56 I63 F78 A83 K84 V85 V86 V140V56-I61 HydrophobicContact CB-CD1 4.34Å; V56-I61 HydrophobicContact CG1-CD1 4.32Å; I61-I63 HydrophobicContact CG2-CD1 4.18Å; I61-I63 HydrophobicContact CG2-CG1 3.95Å; I61-F78 HydrophobicContact CD1-CB 3.84Å; I61-F78 HydrophobicContact CD1-CD1 3.34Å; I61-F78 HydrophobicContact CD1-CD2 3.72Å; I61-F78 HydrophobicContact CD1-CE1 3.74Å; I61-F78 HydrophobicContact CD1-CE2 4.06Å; I61-F78 HydrophobicContact CD1-CG 3.35Å; I61-F78 HydrophobicContact CD1-CZ 4.07Å; I61-F78 HydrophobicContact CG2-CD2 4.02Å; I61-F78 HydrophobicContact CG2-CE2 4.28Å; I61-A83 HydrophobicContact CD1-CB 3.76Å; I61-A83 HydrophobicContact CG1-CB 4.26Å; I61-K84 PolarHBondContact N-O 3Å; I61-V85 CarbonylContact O-C 3.3Å; I61-V85 WeakPolarHBondContact O-CA 3.38Å; I61-V86 PolarHBondContact O-N 3.28Å; I61-V140 WeakPolarHBondContact CA-O 3.36Å; I61-V140 HydrophobicContact CB-CB 4.42Å; I61-V140 HydrophobicContact CG1-CB 4.09Å; I61-V140 HydrophobicContact CG1-CG2 4.2Å; I61-V140 HydrophobicContact CG2-CB 4.12Å; I61-V140 HydrophobicContact CG2-CG1 4.36Å
62A98.8Very high97.3Very high0 Ų044.2 Ų44.20%023%0.23CC..EExtended strand (participates in β ladder)trans-94.3132.7176.500000110.7V86 L88 P138 V140 I141 L142A62-V86 CarbonylContact C-O 3.55Å; A62-V86 WeakPolarHBondContact CA-O 3.27Å; A62-V86 HydrophobicContact CB-CB 3.93Å; A62-V86 HydrophobicContact CB-CG1 4.4Å; A62-L88 HydrophobicContact CB-CD1 4.45Å; A62-P138 HydrophobicContact CB-CB 4.15Å; A62-P138 HydrophobicContact CB-CG 4.01Å; A62-V140 PolarHBondContact N-O 2.92Å; A62-I141 HydrophobicContact CB-CD1 3.73Å; A62-I141 CarbonylContact O-C 3.52Å; A62-I141 WeakPolarHBondContact O-CA 3.04Å; A62-L142 PolarHBondContact O-N 3.28Å
63I98.9Very high97.6Very high0 Ų038.4 Ų38.40%021%0.205CC..EExtended strand (participates in β ladder)trans-129.9120.7-171.6-52.3170000108I61 A66 V74 A75 V86 L88 L142 A144I61-I63 HydrophobicContact CG2-CD1 4.18Å; I61-I63 HydrophobicContact CG2-CG1 3.95Å; I63-A66 HydrophobicContact CB-CB 3.83Å; I63-A66 HydrophobicContact CG2-CB 3.77Å; I63-A66 VanDerWaalsContact O-CB 3.31Å; I63-A66 WeakPolarHBondContact O-CB 3.37Å; I63-V74 HydrophobicContact CD1-CG1 4.09Å; I63-A75 HydrophobicContact CD1-CB 3.76Å; I63-V86 PolarHBondContact N-O 2.98Å; I63-L88 WeakPolarHBondContact O-CB 3.16Å; I63-L88 PolarHBondContact O-N 3.15Å; I63-L142 WeakPolarHBondContact CA-O 3.28Å; I63-L142 HydrophobicContact CB-CB 4.46Å; I63-L142 HydrophobicContact CG1-CB 4.15Å; I63-L142 HydrophobicContact CG1-CD2 4.35Å; I63-L142 HydrophobicContact CG2-CB 4.23Å; I63-L142 HydrophobicContact CG2-CD2 3.93Å; I63-L142 HydrophobicContact CG2-CG 4.14Å; I63-A144 HydrophobicContact CG2-CB 4.45Å
64T98.7Very high97.8Very high4 Ų435 Ų353%0.02518%0.183CC..EExtended strand (participates in β ladder)trans-85.9146.3170.270.60000111A66 L88 V116 L142 C143 A144 A145 T175T64-A66 VanDerWaalsContact C-N 3.33Å; T64-L88 CarbonylContact C-O 3.59Å; T64-L88 VanDerWaalsContact CA-O 3.31Å; T64-L88 WeakPolarHBondContact CA-O 3.37Å; T64-L88 HydrophobicContact CG2-CB 4.07Å; T64-L88 HydrophobicContact CG2-CD1 3.96Å; T64-V116 HydrophobicContact CG2-CG1 3.92Å; T64-L142 PolarHBondContact N-O 3.26Å; T64-C143 WeakPolarHBondContact OG1-CA 3.34Å; T64-A144 CarbonylContact O-C 3.58Å; T64-A144 WeakPolarHBondContact O-CA 3.26Å; T64-A144 WeakPolarHBondContact O-CB 3.4Å; T64-A144 PolarHBondContact O-N 2.81Å; T64-A144 PolarHBondContact OG1-N 3.49Å; T64-A145 PolarHBondContact O-N 3.25Å; T64-A145 PolarHBondContact OG1-N 3.32Å; T64-T175 HydrophobicContact CG2-CG2 3.75Å
65G97.7Very high97.9Very high17 Ų1732.3 Ų32.318%0.17517%0.172CC..THydrogen-bonded Turntrans69.833.8-174.100000112L88 D89G65-L88 PolarHBondContact N-O 3.45Å; G65-D89 WeakPolarHBondContact CA-OD2 3.4Å
66A97.9Very high98Very high0 Ų030.5 Ų30.50%015%0.154CC..  trans-93.80.8-170.600000114.4I63 T64 Q68 R72 L87 L88 D89I63-A66 HydrophobicContact CB-CB 3.83Å; I63-A66 HydrophobicContact CG2-CB 3.77Å; I63-A66 VanDerWaalsContact O-CB 3.31Å; I63-A66 WeakPolarHBondContact O-CB 3.37Å; T64-A66 VanDerWaalsContact C-N 3.33Å; A66-Q68 VanDerWaalsContact C-N 3.3Å; A66-R72 WeakPolarHBondContact O-CA 3.47Å; A66-R72 WeakPolarHBondContact O-CB 3.35Å; A66-L87 HydrophobicContact CB-CB 3.98Å; A66-L87 HydrophobicContact CB-CD2 3.47Å; A66-L87 VanDerWaalsContact CB-CD2 3.47Å; A66-L87 HydrophobicContact CB-CG 4.33Å; A66-L88 PolarHBondContact N-O 2.85Å; A66-D89 PolarHBondContact N-OD2 3.4Å; A66-D89 VanDerWaalsContact N-OD2 3.14Å
67A96.6Very high98Very high1 Ų131.4 Ų31.41%0.00816%0.157CC..SBendtrans-73.8-22176.300000112.9R72 D89 L94 A95A67-R72 WeakPolarHBondContact O-CD 3.26Å; A67-D89 HydrophobicContact CB-CB 3.66Å; A67-D89 WeakPolarHBondContact CB-OD2 3.48Å; A67-D89 PolarHBondContact N-OD2 3.21Å; A67-L94 HydrophobicContact CB-CB 3.91Å; A67-L94 HydrophobicContact CB-CD2 3.88Å; A67-L94 HydrophobicContact CB-CG 3.82Å; A67-L94 WeakPolarHBondContact O-CG 3.47Å; A67-A95 HydrophobicContact CB-CB 4.16Å
68Q95.4Very high98Very high92 Ų9228 Ų2843%0.4314%0.137SC..SBendtrans-154.6175.918065.3178.228.400113A66 R72 L94 N249A66-Q68 VanDerWaalsContact C-N 3.3Å; Q68-R72 PolarHBondContact O-N 3.44Å; Q68-L94 HydrophobicContact CB-CD2 4.29Å; Q68-N249 PolarHBondContact NE2-ND2 3.08Å; Q68-N249 PolarHBondContact OE1-ND2 3Å
69G95.9Very high98.1Very high21 Ų2122.4 Ų22.422%0.21611%0.112CC..Hα-helixtrans62.8-143171.400000113.6G71 R72 E73G69-G71 PolarHBondContact O-N 3.45Å; G69-R72 PolarHBondContact O-N 2.94Å; G69-E73 PolarHBondContact O-N 3.39Å
70I96.9Very high98Very high24 Ų2422.3 Ų22.312%0.12312%0.122CC..Hα-helixtrans-59.7-45.2-177.3-64.8168.9000111.4R72 E73 V74 T246 T248 I266 T269 I273I70-R72 PolarHBondContact O-N 3.21Å; I70-E73 PolarHBondContact O-N 3.2Å; I70-V74 HydrophobicContact CG2-CG2 4.18Å; I70-V74 WeakPolarHBondContact O-CB 3.4Å; I70-V74 VanDerWaalsContact O-CG2 3.28Å; I70-V74 WeakPolarHBondContact O-CG2 3.44Å; I70-V74 PolarHBondContact O-N 3.48Å; I70-T246 HydrophobicContact CD1-CG2 4.17Å; I70-T246 HydrophobicContact CG1-CG2 4.24Å; I70-T248 HydrophobicContact CD1-CG2 4.04Å; I70-T248 HydrophobicContact CG1-CG2 3.91Å; I70-I266 HydrophobicContact CG1-CG2 4.36Å; I70-T269 HydrophobicContact CD1-CG2 3.87Å; I70-T269 HydrophobicContact CG1-CG2 4.26Å; I70-I273 HydrophobicContact CG2-CD1 3.34Å
71G97.7Very high98Very high1 Ų124.9 Ų24.91%0.0114%0.135CC..Hα-helixtrans-60.9-43.5-177.800000112.6G69 A75G69-G71 PolarHBondContact O-N 3.45Å; G71-A75 PolarHBondContact O-N 3.06Å
72R98.2Very high98Very high84 Ų8430.5 Ų30.532%0.31716%0.16SC..Hα-helixtrans-60.8-47.9175.6175.8168.9-170.7-101.14.8112.2A66 A67 Q68 G69 I70 A75 F76 T98A66-R72 WeakPolarHBondContact O-CA 3.47Å; A66-R72 WeakPolarHBondContact O-CB 3.35Å; A67-R72 WeakPolarHBondContact O-CD 3.26Å; Q68-R72 PolarHBondContact O-N 3.44Å; G69-R72 PolarHBondContact O-N 2.94Å; I70-R72 PolarHBondContact O-N 3.21Å; R72-A75 WeakPolarHBondContact O-CB 3.46Å; R72-A75 PolarHBondContact O-N 2.91Å; R72-A75 VanDerWaalsContact O-N 3.17Å; R72-F76 HydrophobicContact CG-CD2 3.96Å; R72-F76 HydrophobicContact CG-CE2 3.69Å; R72-F76 VanDerWaalsContact O-CD2 3.27Å; R72-F76 WeakPolarHBondContact O-CD2 3.3Å; R72-F76 PolarHBondContact O-N 3.46Å; R72-F76 VanDerWaalsContact O-N 3.08Å; R72-T98 HydrophobicContact CG-CG2 3.79Å; R72-T98 PolarHBondContact NE-OG1 3.25Å; R72-T98 VanDerWaalsContact NE-OG1 3.09Å
73E98.3Very high98Very high56 Ų5630.5 Ų30.526%0.26216%0.16SC..Hα-helixtrans-65.4-42-177.8-170.565.3-166.400111.6G69 I70 A75 F76 M77 I266 A270G69-E73 PolarHBondContact O-N 3.39Å; I70-E73 PolarHBondContact O-N 3.2Å; E73-A75 VanDerWaalsContact C-N 3.26Å; E73-A75 PolarHBondContact O-N 2.96Å; E73-F76 PolarHBondContact O-N 3.4Å; E73-M77 HydrophobicContact CG-CE 4.05Å; E73-M77 WeakPolarHBondContact O-CG 3.32Å; E73-M77 PolarHBondContact O-N 2.83Å; E73-I266 HydrophobicContact CB-CG2 3.68Å; E73-I266 HydrophobicContact CG-CG2 4.08Å; E73-A270 HydrophobicContact CB-CB 3.74Å; E73-A270 HydrophobicContact CG-CB 3.45Å; E73-A270 VanDerWaalsContact CG-CB 3.45Å
74V98.7Very high98Very high0 Ų032.5 Ų32.50%017%0.168CC..Hα-helixtrans-60-38.6173.2172.10000111.2I63 I70 M77 F78 L142 A270 I273 V274I63-V74 HydrophobicContact CD1-CG1 4.09Å; I70-V74 HydrophobicContact CG2-CG2 4.18Å; I70-V74 WeakPolarHBondContact O-CB 3.4Å; I70-V74 VanDerWaalsContact O-CG2 3.28Å; I70-V74 WeakPolarHBondContact O-CG2 3.44Å; I70-V74 PolarHBondContact O-N 3.48Å; V74-M77 PolarHBondContact O-N 3.36Å; V74-F78 HydrophobicContact CG1-CD2 3.49Å; V74-F78 VanDerWaalsContact CG1-CD2 3.49Å; V74-F78 HydrophobicContact CG1-CE2 3.44Å; V74-F78 VanDerWaalsContact CG1-CE2 3.44Å; V74-F78 WeakPolarHBondContact O-CD2 3.27Å; V74-F78 PolarHBondContact O-N 3.27Å; V74-L142 HydrophobicContact CB-CD2 4.19Å; V74-L142 HydrophobicContact CG1-CD2 3.63Å; V74-L142 HydrophobicContact CG2-CD2 4.36Å; V74-A270 HydrophobicContact CG2-CB 3.72Å; V74-I273 HydrophobicContact CG2-CB 4.18Å; V74-I273 HydrophobicContact CG2-CD1 4.48Å; V74-I273 HydrophobicContact CG2-CG2 4.02Å; V74-V274 HydrophobicContact CG1-CG2 4.15Å
75A98.8Very high98Very high0 Ų032.3 Ų32.30%017%0.167CC..Hα-helixtrans-63.3-43.4176.100000112.8I63 G71 R72 E73 M77 F78 A79 V85 L87 I102I63-A75 HydrophobicContact CD1-CB 3.76Å; G71-A75 PolarHBondContact O-N 3.06Å; R72-A75 WeakPolarHBondContact O-CB 3.46Å; R72-A75 PolarHBondContact O-N 2.91Å; R72-A75 VanDerWaalsContact O-N 3.17Å; E73-A75 VanDerWaalsContact C-N 3.26Å; E73-A75 PolarHBondContact O-N 2.96Å; A75-M77 VanDerWaalsContact C-N 3.35Å; A75-M77 PolarHBondContact O-N 3.16Å; A75-F78 PolarHBondContact O-N 3.33Å; A75-A79 VanDerWaalsContact O-CB 3.31Å; A75-A79 WeakPolarHBondContact O-CB 3.35Å; A75-A79 PolarHBondContact O-N 2.96Å; A75-V85 HydrophobicContact CB-CB 4.4Å; A75-V85 HydrophobicContact CB-CG2 4.34Å; A75-L87 HydrophobicContact CB-CD2 3.41Å; A75-L87 VanDerWaalsContact CB-CD2 3.41Å; A75-I102 HydrophobicContact CB-CD1 4.09Å
76F98.7Very high98.1Very high46 Ų4631.5 Ų31.520%0.20216%0.158CC..Hα-helixtrans-58.7-46.9174.1-84.1-72000111.7R72 E73 F78 A79 S80 T98 L101 I102R72-F76 HydrophobicContact CG-CD2 3.96Å; R72-F76 HydrophobicContact CG-CE2 3.69Å; R72-F76 VanDerWaalsContact O-CD2 3.27Å; R72-F76 WeakPolarHBondContact O-CD2 3.3Å; R72-F76 PolarHBondContact O-N 3.46Å; R72-F76 VanDerWaalsContact O-N 3.08Å; E73-F76 PolarHBondContact O-N 3.4Å; F76-F78 PolarHBondContact O-N 2.92Å; F76-A79 PolarHBondContact O-N 3.47Å; F76-S80 PolarHBondContact O-N 2.93Å; F76-T98 HydrophobicContact CE2-CG2 3.99Å; F76-T98 HydrophobicContact CZ-CG2 4.26Å; F76-L101 HydrophobicContact CE1-CD2 4.21Å; F76-L101 HydrophobicContact CE1-CG 3.99Å; F76-L101 HydrophobicContact CZ-CB 4.25Å; F76-L101 HydrophobicContact CZ-CD2 3.71Å; F76-L101 HydrophobicContact CZ-CG 3.89Å; F76-I102 HydrophobicContact CD1-CD1 4.33Å; F76-I102 HydrophobicContact CD1-CG1 3.62Å; F76-I102 HydrophobicContact CE1-CB 4.49Å; F76-I102 HydrophobicContact CE1-CD1 4.34Å; F76-I102 HydrophobicContact CE1-CG1 3.4Å; F76-I102 HydrophobicContact CG-CG1 4.26Å; F76-I102 HydrophobicContact CZ-CG1 3.87Å
77M98.6Very high98.1Very high25 Ų2531.5 Ų31.512%0.12316%0.158CC..Hα-helixtrans-60.7-48-180-68.5-178.9175.300111.6E73 V74 A75 S80 M81 S267 A270 Q271 V274E73-M77 HydrophobicContact CG-CE 4.05Å; E73-M77 WeakPolarHBondContact O-CG 3.32Å; E73-M77 PolarHBondContact O-N 2.83Å; V74-M77 PolarHBondContact O-N 3.36Å; A75-M77 VanDerWaalsContact C-N 3.35Å; A75-M77 PolarHBondContact O-N 3.16Å; M77-S80 WeakPolarHBondContact O-CB 3.39Å; M77-S80 PolarHBondContact O-N 3.43Å; M77-S80 PolarHBondContact O-OG 3.05Å; M77-M81 WeakPolarHBondContact O-CG 3.41Å; M77-M81 PolarHBondContact O-N 3.05Å; M77-S267 WeakPolarHBondContact CE-O 3.45Å; M77-A270 HydrophobicContact CE-CB 4.02Å; M77-A270 HydrophobicContact SD-CB 3.94Å; M77-Q271 HydrophobicContact CE-CB 4.1Å; M77-Q271 HydrophobicContact SD-CB 4.29Å; M77-V274 HydrophobicContact CB-CG2 3.81Å; M77-V274 HydrophobicContact CG-CG2 4.48Å; M77-V274 HydrophobicContact SD-CG2 3.87Å
78F98.8Very high98.2Very high0 Ų031.5 Ų31.50%016%0.158CC..Hα-helixtrans-67.8-37.6178.8-81.5-53.5000113.9V56 I61 V74 A75 F76 S80 M81 K82 A83 V85 V274 I277 L278V56-F78 HydrophobicContact CB-CD1 4.42Å; V56-F78 HydrophobicContact CG1-CD1 4.38Å; V56-F78 HydrophobicContact CG1-CE1 4.08Å; V56-F78 HydrophobicContact CG2-CD1 4.09Å; V56-F78 HydrophobicContact CG2-CE1 4.42Å; I61-F78 HydrophobicContact CD1-CB 3.84Å; I61-F78 HydrophobicContact CD1-CD1 3.34Å; I61-F78 HydrophobicContact CD1-CD2 3.72Å; I61-F78 HydrophobicContact CD1-CE1 3.74Å; I61-F78 HydrophobicContact CD1-CE2 4.06Å; I61-F78 HydrophobicContact CD1-CG 3.35Å; I61-F78 HydrophobicContact CD1-CZ 4.07Å; I61-F78 HydrophobicContact CG2-CD2 4.02Å; I61-F78 HydrophobicContact CG2-CE2 4.28Å; V74-F78 HydrophobicContact CG1-CD2 3.49Å; V74-F78 VanDerWaalsContact CG1-CD2 3.49Å; V74-F78 HydrophobicContact CG1-CE2 3.44Å; V74-F78 VanDerWaalsContact CG1-CE2 3.44Å; V74-F78 WeakPolarHBondContact O-CD2 3.27Å; V74-F78 PolarHBondContact O-N 3.27Å; A75-F78 PolarHBondContact O-N 3.33Å; F76-F78 PolarHBondContact O-N 2.92Å; F78-S80 VanDerWaalsContact C-N 3.27Å; F78-S80 PolarHBondContact O-N 3.19Å; F78-M81 HydrophobicContact CD1-SD 4.37Å; F78-M81 CarbonylContact O-C 3.28Å; F78-M81 WeakPolarHBondContact O-CA 3.24Å; F78-M81 WeakPolarHBondContact O-CB 3.45Å; F78-M81 PolarHBondContact O-N 3.48Å; F78-K82 PolarHBondContact O-N 3.36Å; F78-A83 HydrophobicContact CB-CB 4.08Å; F78-A83 VanDerWaalsContact O-CB 3.32Å; F78-A83 WeakPolarHBondContact O-CB 3.4Å; F78-A83 PolarHBondContact O-N 2.89Å; F78-A83 VanDerWaalsContact O-N 3.09Å; F78-V85 HydrophobicContact CB-CG1 3.8Å; F78-V274 HydrophobicContact CD2-CG2 4.32Å; F78-V274 HydrophobicContact CE1-CG1 4.01Å; F78-V274 HydrophobicContact CE1-CG2 4.46Å; F78-V274 HydrophobicContact CE2-CG2 3.95Å; F78-V274 HydrophobicContact CZ-CB 4.29Å; F78-V274 HydrophobicContact CZ-CG1 4.14Å; F78-V274 HydrophobicContact CZ-CG2 4.01Å; F78-I277 HydrophobicContact CE1-CG2 4.34Å; F78-I277 HydrophobicContact CE2-CD1 3.59Å; F78-I277 HydrophobicContact CZ-CB 3.88Å; F78-I277 HydrophobicContact CZ-CD1 3.62Å; F78-I277 HydrophobicContact CZ-CG1 4.35Å; F78-I277 HydrophobicContact CZ-CG2 3.71Å; F78-L278 HydrophobicContact CE1-CD2 4.35Å
79A98.7Very high98.4Very high5 Ų528.3 Ų28.34%0.04114%0.144CC..Hα-helixtrans-62.5-37.4174.600000111.8A75 F76 M81 K82 V85 I102A75-A79 VanDerWaalsContact O-CB 3.31Å; A75-A79 WeakPolarHBondContact O-CB 3.35Å; A75-A79 PolarHBondContact O-N 2.96Å; F76-A79 PolarHBondContact O-N 3.47Å; A79-M81 PolarHBondContact O-N 3.42Å; A79-K82 PolarHBondContact O-N 3.22Å; A79-V85 HydrophobicContact CB-CG1 4.41Å; A79-V85 HydrophobicContact CB-CG2 4.19Å; A79-I102 HydrophobicContact CB-CG2 3.34Å
80S98.2Very high98.5Very high87 Ų8733.3 Ų33.361%0.60817%0.165SC*.Hα-helixtrans-61.6-30.4173.683.80000112.5F76 M77 F78 K82F76-S80 PolarHBondContact O-N 2.93Å; M77-S80 WeakPolarHBondContact O-CB 3.39Å; M77-S80 PolarHBondContact O-N 3.43Å; M77-S80 PolarHBondContact O-OG 3.05Å; F78-S80 VanDerWaalsContact C-N 3.27Å; F78-S80 PolarHBondContact O-N 3.19Å; S80-K82 PolarHBondContact O-N 3.36Å
81M98.4Very high98.5Very high60 Ų6035.9 Ų35.930%0.29618%0.18SC..THydrogen-bonded Turntrans-84.814.8174.3-59.6177.6-175.200113.5V56 M77 F78 A79 A83 V274 L278V56-M81 HydrophobicContact CG2-CB 3.69Å; V56-M81 HydrophobicContact CG2-SD 4.16Å; M77-M81 WeakPolarHBondContact O-CG 3.41Å; M77-M81 PolarHBondContact O-N 3.05Å; F78-M81 HydrophobicContact CD1-SD 4.37Å; F78-M81 CarbonylContact O-C 3.28Å; F78-M81 WeakPolarHBondContact O-CA 3.24Å; F78-M81 WeakPolarHBondContact O-CB 3.45Å; F78-M81 PolarHBondContact O-N 3.48Å; A79-M81 PolarHBondContact O-N 3.42Å; M81-A83 VanDerWaalsContact C-N 3.25Å; M81-A83 PolarHBondContact O-N 3.22Å; M81-V274 HydrophobicContact CE-CG1 3.72Å; M81-V274 HydrophobicContact SD-CG1 4.15Å; M81-L278 HydrophobicContact CE-CD1 4.32Å; M81-L278 HydrophobicContact SD-CD1 4.18Å
82K98.4Very high98.5Very high118 Ų11840.4 Ų40.451%0.51320%0.2SC..THydrogen-bonded Turntrans64.821.7178.8-49.9-58.4-178.6-175.10114.7V57 H58 F78 A79 S80V57-K82 HydrophobicContact CG1-CB 4.18Å; H58-K82 PolarHBondContact N-O 3.49Å; F78-K82 PolarHBondContact O-N 3.36Å; A79-K82 PolarHBondContact O-N 3.22Å; S80-K82 PolarHBondContact O-N 3.36Å
83A98.7Very high98.5Very high0 Ų042.5 Ų42.50%021%0.214CC..PPolyproline II helixtrans-75154.9165.900000110.7V56 I61 F78 M81V56-A83 HydrophobicContact CB-CB 4.33Å; V56-A83 WeakPolarHBondContact O-CA 3.48Å; V56-A83 WeakPolarHBondContact O-CB 3.41Å; I61-A83 HydrophobicContact CD1-CB 3.76Å; I61-A83 HydrophobicContact CG1-CB 4.26Å; F78-A83 HydrophobicContact CB-CB 4.08Å; F78-A83 VanDerWaalsContact O-CB 3.32Å; F78-A83 WeakPolarHBondContact O-CB 3.4Å; F78-A83 PolarHBondContact O-N 2.89Å; F78-A83 VanDerWaalsContact O-N 3.09Å; M81-A83 VanDerWaalsContact C-N 3.25Å; M81-A83 PolarHBondContact O-N 3.22Å
84K98.8Very high98.5Very high41 Ų4142 Ų4218%0.17821%0.213CC..EExtended strand (participates in β ladder)trans-88.7116.9166.6-63.8173.2-175.4177.20107.7K59 V60 I61 Q108 Y110 S134 L135K59-K84 PolarHBondContact O-N 2.96Å; V60-K84 CarbonylContact C-O 3.56Å; V60-K84 WeakPolarHBondContact CA-O 3.44Å; V60-K84 HydrophobicContact CG2-CB 4.26Å; V60-K84 HydrophobicContact CG2-CD 4.15Å; I61-K84 PolarHBondContact N-O 3Å; K84-Q108 WeakPolarHBondContact CA-O 3.4Å; K84-Q108 HydrophobicContact CG-CB 4.14Å; K84-Y110 HydrophobicContact CB-CE2 4.38Å; K84-S134 WeakPolarHBondContact CD-O 3.28Å; K84-S134 WeakPolarHBondContact CE-O 3.46Å; K84-S134 PolarHBondContact NZ-O 3.4Å; K84-L135 HydrophobicContact CB-CD2 4.3Å; K84-L135 HydrophobicContact CD-CD2 4.38Å
85V98.8Very high98.5Very high0 Ų042 Ų420%021%0.213CC..EExtended strand (participates in β ladder)trans-101.8132.8-178.5-62.80000111I61 A75 F78 A79 I102 Q108 A109 Y110I61-V85 CarbonylContact O-C 3.3Å; I61-V85 WeakPolarHBondContact O-CA 3.38Å; A75-V85 HydrophobicContact CB-CB 4.4Å; A75-V85 HydrophobicContact CB-CG2 4.34Å; F78-V85 HydrophobicContact CB-CG1 3.8Å; A79-V85 HydrophobicContact CB-CG1 4.41Å; A79-V85 HydrophobicContact CB-CG2 4.19Å; V85-I102 HydrophobicContact CG2-CD1 3.95Å; V85-I102 HydrophobicContact CG2-CG2 4.45Å; V85-Q108 PolarHBondContact N-O 3.49Å; V85-A109 HydrophobicContact CG2-CB 3.6Å; V85-A109 VanDerWaalsContact O-CA 3.28Å; V85-A109 WeakPolarHBondContact O-CA 3.49Å; V85-Y110 PolarHBondContact O-N 3.02Å
86V98.8Very high98.4Very high0 Ų045.1 Ų45.10%023%0.227CC..EExtended strand (participates in β ladder)trans-110.7111.5176.6-178.10000108.1V60 I61 A62 I63 L88 Y110 F112 I129 L135V60-V86 HydrophobicContact CG1-CG2 3.93Å; I61-V86 PolarHBondContact O-N 3.28Å; A62-V86 CarbonylContact C-O 3.55Å; A62-V86 WeakPolarHBondContact CA-O 3.27Å; A62-V86 HydrophobicContact CB-CB 3.93Å; A62-V86 HydrophobicContact CB-CG1 4.4Å; I63-V86 PolarHBondContact N-O 2.98Å; V86-L88 HydrophobicContact CG1-CD2 4.26Å; V86-L88 HydrophobicContact CG1-CG 4.42Å; V86-Y110 CarbonylContact C-O 3.58Å; V86-Y110 WeakPolarHBondContact CA-O 3.49Å; V86-F112 HydrophobicContact CG1-CD2 3.59Å; V86-F112 HydrophobicContact CG1-CE2 3.6Å; V86-I129 HydrophobicContact CG1-CD1 3.63Å; V86-I129 HydrophobicContact CG1-CG1 4.09Å; V86-L135 HydrophobicContact CG2-CD1 3.73Å; V86-L135 HydrophobicContact CG2-CD2 3.85Å; V86-L135 HydrophobicContact CG2-CG 4.43Å
87L98.8Very high98.4Very high0 Ų047.5 Ų47.50%024%0.239CC..EExtended strand (participates in β ladder)trans-90.1111.2-178-54.2174.2000108.9A66 A75 A95 T98 A99 Y110 A111 F112A66-L87 HydrophobicContact CB-CB 3.98Å; A66-L87 HydrophobicContact CB-CD2 3.47Å; A66-L87 VanDerWaalsContact CB-CD2 3.47Å; A66-L87 HydrophobicContact CB-CG 4.33Å; A75-L87 HydrophobicContact CB-CD2 3.41Å; A75-L87 VanDerWaalsContact CB-CD2 3.41Å; L87-A95 HydrophobicContact CB-CB 4.3Å; L87-A95 WeakPolarHBondContact CD1-O 3.35Å; L87-T98 HydrophobicContact CD1-CG2 3.67Å; L87-A99 HydrophobicContact CD1-CB 3.84Å; L87-Y110 PolarHBondContact N-O 3.36Å; L87-A111 HydrophobicContact CB-CB 4.43Å; L87-A111 WeakPolarHBondContact O-CA 3.39Å; L87-F112 PolarHBondContact O-N 3.48Å
88L98.8Very high98.4Very high1 Ų146.4 Ų46.41%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-105.5121.4175-63.6179.3000108.5A62 I63 T64 G65 A66 V86 F112 M122 I125 I129 F179A62-L88 HydrophobicContact CB-CD1 4.45Å; I63-L88 WeakPolarHBondContact O-CB 3.16Å; I63-L88 PolarHBondContact O-N 3.15Å; T64-L88 CarbonylContact C-O 3.59Å; T64-L88 VanDerWaalsContact CA-O 3.31Å; T64-L88 WeakPolarHBondContact CA-O 3.37Å; T64-L88 HydrophobicContact CG2-CB 4.07Å; T64-L88 HydrophobicContact CG2-CD1 3.96Å; G65-L88 PolarHBondContact N-O 3.45Å; A66-L88 PolarHBondContact N-O 2.85Å; V86-L88 HydrophobicContact CG1-CD2 4.26Å; V86-L88 HydrophobicContact CG1-CG 4.42Å; L88-F112 HydrophobicContact CD2-CB 3.75Å; L88-F112 HydrophobicContact CD2-CD2 4.22Å; L88-F112 HydrophobicContact CD2-CG 4.3Å; L88-M122 HydrophobicContact CD1-CE 4.41Å; L88-I125 HydrophobicContact CD1-CG2 4.41Å; L88-I125 HydrophobicContact CD2-CG2 3.6Å; L88-I129 HydrophobicContact CD1-CD1 4.42Å; L88-I129 HydrophobicContact CD2-CD1 3.86Å; L88-F179 HydrophobicContact CD1-CE2 4.35Å; L88-F179 HydrophobicContact CD1-CZ 4.49Å
89D98.6Very high98.4Very high25 Ų2546.7 Ų46.713%0.13424%0.236CC..EExtended strand (participates in β ladder)trans-153.7155.3178.1-151.4-72.9000112G65 A66 A67 N91 A95 F112 G113 C114G65-D89 WeakPolarHBondContact CA-OD2 3.4Å; A66-D89 PolarHBondContact N-OD2 3.4Å; A66-D89 VanDerWaalsContact N-OD2 3.14Å; A67-D89 HydrophobicContact CB-CB 3.66Å; A67-D89 WeakPolarHBondContact CB-OD2 3.48Å; A67-D89 PolarHBondContact N-OD2 3.21Å; D89-N91 VanDerWaalsContact C-N 3.27Å; D89-N91 PolarHBondContact OD1-N 3.17Å; D89-A95 HydrophobicContact CB-CB 4.06Å; D89-F112 PolarHBondContact N-O 3.08Å; D89-G113 CarbonylContact O-C 3.54Å; D89-G113 WeakPolarHBondContact O-CA 3.22Å; D89-C114 CarbonylContact C-O 3.6Å; D89-C114 VanDerWaalsContact C-O 3.28Å; D89-C114 PolarHBondContact O-N 3.32Å
90L97.8Very high98.4Very high126 Ų12653 Ų5366%0.6626%0.262SS*.SBendtrans-66.5-35.6171.8-176.967.8000110.4Q92 C114 D115L90-Q92 PolarHBondContact O-N 3.16Å; L90-C114 WeakPolarHBondContact CA-O 3.46Å; L90-C114 PolarHBondContact N-O 3.03Å; L90-D115 HydrophobicContact CD1-CB 3.75Å
91N97.6Very high98.4Very high79 Ų7952.6 Ų52.642%0.42225%0.253SS..  trans-88.785.3174.3-170.9-21.9000110.5D89 E93 L94 A95D89-N91 VanDerWaalsContact C-N 3.27Å; D89-N91 PolarHBondContact OD1-N 3.17Å; N91-E93 VanDerWaalsContact C-N 3.32Å; N91-E93 PolarHBondContact O-N 3.44Å; N91-E93 PolarHBondContact OD1-N 2.9Å; N91-L94 HydrophobicContact CB-CB 4.17Å; N91-L94 VanDerWaalsContact CG-CB 3.49Å; N91-L94 PolarHBondContact O-N 3.12Å; N91-L94 WeakPolarHBondContact OD1-CB 3.42Å; N91-L94 PolarHBondContact OD1-N 3.05Å; N91-A95 PolarHBondContact O-N 3.24Å
92Q97.6Very high98.4Very high95 Ų9549.7 Ų49.744%0.44424%0.239SC..Hα-helixtrans-56.5-43.5-179.8-178.4174.4-17.700112.6L90 L94 A95 E96L90-Q92 PolarHBondContact O-N 3.16Å; Q92-L94 PolarHBondContact O-N 2.85Å; Q92-A95 WeakPolarHBondContact O-CB 3.36Å; Q92-A95 PolarHBondContact O-N 3.48Å; Q92-E96 HydrophobicContact CG-CG 4.29Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.48Å; Q92-E96 PolarHBondContact NE2-OE1 2.84Å; Q92-E96 WeakPolarHBondContact O-CG 3.28Å; Q92-E96 PolarHBondContact O-N 2.76Å
93E98.3Very high98.4Very high128 Ų12847.5 Ų47.560%0.59823%0.233SC*.Hα-helixtrans-61-45.8-177.7-171.1-171.8161.900111.2N91 A95 E96 Q97N91-E93 VanDerWaalsContact C-N 3.32Å; N91-E93 PolarHBondContact O-N 3.44Å; N91-E93 PolarHBondContact OD1-N 2.9Å; E93-A95 VanDerWaalsContact C-N 3.34Å; E93-A95 PolarHBondContact O-N 2.86Å; E93-E96 PolarHBondContact O-N 3.31Å; E93-Q97 VanDerWaalsContact O-CG 3.3Å; E93-Q97 WeakPolarHBondContact O-CG 3.34Å; E93-Q97 PolarHBondContact O-N 2.86Å; E93-Q97 PolarHBondContact OE1-NE2 2.8Å
94L97.9Very high98.4Very high46 Ų4651.9 Ų51.924%0.24126%0.263CS..Hα-helixtrans-68.8-34179.1-173.265.3000112.1A67 Q68 N91 Q92 T98A67-L94 HydrophobicContact CB-CB 3.91Å; A67-L94 HydrophobicContact CB-CD2 3.88Å; A67-L94 HydrophobicContact CB-CG 3.82Å; A67-L94 WeakPolarHBondContact O-CG 3.47Å; Q68-L94 HydrophobicContact CB-CD2 4.29Å; N91-L94 HydrophobicContact CB-CB 4.17Å; N91-L94 VanDerWaalsContact CG-CB 3.49Å; N91-L94 PolarHBondContact O-N 3.12Å; N91-L94 WeakPolarHBondContact OD1-CB 3.42Å; N91-L94 PolarHBondContact OD1-N 3.05Å; Q92-L94 PolarHBondContact O-N 2.85Å; L94-T98 PolarHBondContact O-N 2.76Å; L94-T98 PolarHBondContact O-OG1 2.99Å; L94-T98 VanDerWaalsContact O-OG1 3.12Å
95A98.4Very high98.3Very high0 Ų054.7 Ų54.70%028%0.284CS..Hα-helixtrans-64.3-44.1171.400000111.5A67 L87 D89 N91 Q92 E93 T98 A99 A111A67-A95 HydrophobicContact CB-CB 4.16Å; L87-A95 HydrophobicContact CB-CB 4.3Å; L87-A95 WeakPolarHBondContact CD1-O 3.35Å; D89-A95 HydrophobicContact CB-CB 4.06Å; N91-A95 PolarHBondContact O-N 3.24Å; Q92-A95 WeakPolarHBondContact O-CB 3.36Å; Q92-A95 PolarHBondContact O-N 3.48Å; E93-A95 VanDerWaalsContact C-N 3.34Å; E93-A95 PolarHBondContact O-N 2.86Å; A95-T98 PolarHBondContact O-N 2.92Å; A95-A99 PolarHBondContact O-N 3.42Å; A95-A111 HydrophobicContact CB-CB 4.02Å
96E98.6Very high98.2Very high65 Ų6557.1 Ų57.130%0.30431%0.309SS..Hα-helixtrans-64-40.5176-75177.2-170.500112.4Q92 E93 T98 A99 K100 A111Q92-E96 HydrophobicContact CG-CG 4.29Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.48Å; Q92-E96 PolarHBondContact NE2-OE1 2.84Å; Q92-E96 WeakPolarHBondContact O-CG 3.28Å; Q92-E96 PolarHBondContact O-N 2.76Å; E93-E96 PolarHBondContact O-N 3.31Å; E96-T98 VanDerWaalsContact C-N 3.31Å; E96-T98 PolarHBondContact O-N 3.19Å; E96-A99 PolarHBondContact O-N 3.35Å; E96-K100 WeakPolarHBondContact O-CB 3.31Å; E96-K100 VanDerWaalsContact O-CG 3.26Å; E96-K100 WeakPolarHBondContact O-CG 3.38Å; E96-K100 PolarHBondContact O-N 3.32Å; E96-A111 HydrophobicContact CB-CB 4.4Å; E96-A111 HydrophobicContact CG-CB 3.85Å
97Q98.5Very high98.2Very high96 Ų9657.8 Ų57.845%0.44932%0.316SS..Hα-helixtrans-60-43.1173.6-72.3174.412.600111.2E93 K100 L101E93-Q97 VanDerWaalsContact O-CG 3.3Å; E93-Q97 WeakPolarHBondContact O-CG 3.34Å; E93-Q97 PolarHBondContact O-N 2.86Å; E93-Q97 PolarHBondContact OE1-NE2 2.8Å; Q97-K100 PolarHBondContact O-N 2.85Å; Q97-L101 PolarHBondContact O-N 2.89Å
98T98.3Very high98.1Very high2 Ų261.5 Ų61.51%0.01233%0.334CS..Hα-helixtrans-64.5-44.9175.4-65.10000111.5R72 F76 L87 L94 A95 E96 K100 L101 I102R72-T98 HydrophobicContact CG-CG2 3.79Å; R72-T98 PolarHBondContact NE-OG1 3.25Å; R72-T98 VanDerWaalsContact NE-OG1 3.09Å; F76-T98 HydrophobicContact CE2-CG2 3.99Å; F76-T98 HydrophobicContact CZ-CG2 4.26Å; L87-T98 HydrophobicContact CD1-CG2 3.67Å; L94-T98 PolarHBondContact O-N 2.76Å; L94-T98 PolarHBondContact O-OG1 2.99Å; L94-T98 VanDerWaalsContact O-OG1 3.12Å; A95-T98 PolarHBondContact O-N 2.92Å; E96-T98 VanDerWaalsContact C-N 3.31Å; E96-T98 PolarHBondContact O-N 3.19Å; T98-K100 VanDerWaalsContact C-N 3.35Å; T98-K100 PolarHBondContact O-N 3.25Å; T98-L101 PolarHBondContact O-N 2.9Å; T98-I102 HydrophobicContact CG2-CD1 4.13Å; T98-I102 WeakPolarHBondContact O-CG1 3.39Å; T98-I102 PolarHBondContact O-N 3.49Å
99A98.6Very high98.1Very high6 Ų661.8 Ų61.85%0.0534%0.336CS..Hα-helixtrans-59.8-44.6175.700000111.9L87 A95 E96 L101 I102 N103 A109 A111L87-A99 HydrophobicContact CD1-CB 3.84Å; A95-A99 PolarHBondContact O-N 3.42Å; E96-A99 PolarHBondContact O-N 3.35Å; A99-L101 VanDerWaalsContact C-N 3.31Å; A99-L101 PolarHBondContact O-N 3.27Å; A99-I102 PolarHBondContact O-N 2.84Å; A99-N103 WeakPolarHBondContact O-CB 3.37Å; A99-N103 PolarHBondContact O-N 3.23Å; A99-N103 PolarHBondContact O-ND2 2.9Å; A99-A109 HydrophobicContact CB-CB 3.81Å; A99-A111 HydrophobicContact CB-CB 4.06Å
100K98.6Very high98.1Very high137 Ų13763.3 Ų63.360%0.59634%0.34SS*.Hα-helixtrans-58.2-42.5176.3-75.9169.7-176.4168.60111.7E96 Q97 T98 N103 S104E96-K100 WeakPolarHBondContact O-CB 3.31Å; E96-K100 VanDerWaalsContact O-CG 3.26Å; E96-K100 WeakPolarHBondContact O-CG 3.38Å; E96-K100 PolarHBondContact O-N 3.32Å; Q97-K100 PolarHBondContact O-N 2.85Å; T98-K100 VanDerWaalsContact C-N 3.35Å; T98-K100 PolarHBondContact O-N 3.25Å; K100-N103 PolarHBondContact O-N 3.05Å; K100-S104 WeakPolarHBondContact O-CB 3.39Å; K100-S104 PolarHBondContact O-N 3.24Å; K100-S104 PolarHBondContact O-OG 3.46Å
101L98.3Very high98.2Very high79 Ų7958.5 Ų58.541%0.41432%0.318SS..Hα-helixtrans-67.8-38.2177.8-177.356.5000112.5F76 Q97 T98 A99 S104 T105F76-L101 HydrophobicContact CE1-CD2 4.21Å; F76-L101 HydrophobicContact CE1-CG 3.99Å; F76-L101 HydrophobicContact CZ-CB 4.25Å; F76-L101 HydrophobicContact CZ-CD2 3.71Å; F76-L101 HydrophobicContact CZ-CG 3.89Å; Q97-L101 PolarHBondContact O-N 2.89Å; T98-L101 PolarHBondContact O-N 2.9Å; A99-L101 VanDerWaalsContact C-N 3.31Å; A99-L101 PolarHBondContact O-N 3.27Å; L101-S104 PolarHBondContact O-OG 3.28Å; L101-T105 PolarHBondContact O-N 3.24Å; L101-T105 PolarHBondContact O-OG1 3.07Å
102I98.7Very high98.2Very high0 Ų055.7 Ų55.70%030%0.303CS..Hα-helixtrans-65-44.5173.4-69.4171.8000110.5A75 F76 A79 V85 T98 A99 S104 T105 G107 A109A75-I102 HydrophobicContact CB-CD1 4.09Å; F76-I102 HydrophobicContact CD1-CD1 4.33Å; F76-I102 HydrophobicContact CD1-CG1 3.62Å; F76-I102 HydrophobicContact CE1-CB 4.49Å; F76-I102 HydrophobicContact CE1-CD1 4.34Å; F76-I102 HydrophobicContact CE1-CG1 3.4Å; F76-I102 HydrophobicContact CG-CG1 4.26Å; F76-I102 HydrophobicContact CZ-CG1 3.87Å; A79-I102 HydrophobicContact CB-CG2 3.34Å; V85-I102 HydrophobicContact CG2-CD1 3.95Å; V85-I102 HydrophobicContact CG2-CG2 4.45Å; T98-I102 HydrophobicContact CG2-CD1 4.13Å; T98-I102 WeakPolarHBondContact O-CG1 3.39Å; T98-I102 PolarHBondContact O-N 3.49Å; A99-I102 PolarHBondContact O-N 2.84Å; I102-S104 PolarHBondContact O-N 3.25Å; I102-T105 PolarHBondContact O-N 2.98Å; I102-T105 PolarHBondContact O-OG1 3.4Å; I102-G107 WeakPolarHBondContact O-CA 3.34Å; I102-G107 PolarHBondContact O-N 3.28Å; I102-A109 HydrophobicContact CB-CB 3.73Å; I102-A109 HydrophobicContact CD1-CB 4.06Å; I102-A109 HydrophobicContact CG1-CB 4.48Å; I102-A109 HydrophobicContact CG2-CB 3.64Å
103N98.5Very high98.2Very high72 Ų7252 Ų5239%0.38529%0.29SS..Hα-helixtrans-66.3-37.3-179.7-69.5-27.6000112.2A99 K100 T105 G106 G107 Q108 A109A99-N103 WeakPolarHBondContact O-CB 3.37Å; A99-N103 PolarHBondContact O-N 3.23Å; A99-N103 PolarHBondContact O-ND2 2.9Å; K100-N103 PolarHBondContact O-N 3.05Å; N103-T105 PolarHBondContact O-N 3.26Å; N103-G106 PolarHBondContact O-N 3.42Å; N103-G107 PolarHBondContact OD1-O 3.3Å; N103-Q108 WeakPolarHBondContact OD1-CA 3.36Å; N103-A109 PolarHBondContact ND2-O 3.05Å; N103-A109 PolarHBondContact OD1-N 2.78Å
104S98.1Very high98.1Very high91 Ų9146 Ų4664%0.63626%0.262SS*.Hα-helixtrans-67.9-19.817870.30000113.6K100 L101 I102 G106K100-S104 WeakPolarHBondContact O-CB 3.39Å; K100-S104 PolarHBondContact O-N 3.24Å; K100-S104 PolarHBondContact O-OG 3.46Å; L101-S104 PolarHBondContact O-OG 3.28Å; I102-S104 PolarHBondContact O-N 3.25Å; S104-G106 VanDerWaalsContact C-N 3.35Å
105T96.5Very high98.2Very high100 Ų10046.5 Ų46.561%0.61327%0.265SS*.THydrogen-bonded Turntrans-94.49.3174.155.50000112.7L101 I102 N103L101-T105 PolarHBondContact O-N 3.24Å; L101-T105 PolarHBondContact O-OG1 3.07Å; I102-T105 PolarHBondContact O-N 2.98Å; I102-T105 PolarHBondContact O-OG1 3.4Å; N103-T105 PolarHBondContact O-N 3.26Å
106G96.6Very high98.2Very high52 Ų5247 Ų4754%0.53627%0.268SS..THydrogen-bonded Turntrans82.412.9177.400000114.8N103 S104N103-G106 PolarHBondContact O-N 3.42Å; S104-G106 VanDerWaalsContact C-N 3.35Å
107G98.1Very high98.1Very high14 Ų1445 Ų4514%0.14426%0.263CS..  trans-78.9179.616700000112.5I102 N103I102-G107 WeakPolarHBondContact O-CA 3.34Å; I102-G107 PolarHBondContact O-N 3.28Å; N103-G107 PolarHBondContact OD1-O 3.3Å
108Q98.6Very high98.1Very high78 Ų7843.7 Ų43.736%0.36426%0.259SS..EExtended strand (participates in β ladder)trans-125.2108.7174.2-62.2-171-6600109.6K84 V85 N103 Y110K84-Q108 WeakPolarHBondContact CA-O 3.4Å; K84-Q108 HydrophobicContact CG-CB 4.14Å; V85-Q108 PolarHBondContact N-O 3.49Å; N103-Q108 WeakPolarHBondContact OD1-CA 3.36Å; Q108-Y110 HydrophobicContact CB-CE2 4.37Å
109A98.7Very high98.1Very high6 Ų645.6 Ų45.65%0.0527%0.271CS..EExtended strand (participates in β ladder)trans-131.9141.1-179.500000112.2V85 A99 I102 N103V85-A109 HydrophobicContact CG2-CB 3.6Å; V85-A109 VanDerWaalsContact O-CA 3.28Å; V85-A109 WeakPolarHBondContact O-CA 3.49Å; A99-A109 HydrophobicContact CB-CB 3.81Å; I102-A109 HydrophobicContact CB-CB 3.73Å; I102-A109 HydrophobicContact CD1-CB 4.06Å; I102-A109 HydrophobicContact CG1-CB 4.48Å; I102-A109 HydrophobicContact CG2-CB 3.64Å; N103-A109 PolarHBondContact ND2-O 3.05Å; N103-A109 PolarHBondContact OD1-N 2.78Å
110Y98.6Very high98.1Very high58 Ų5847.8 Ų47.823%0.22729%0.289CS..EExtended strand (participates in β ladder)trans-129.2137.5-179.6-54.1-100000107.6K84 V85 V86 L87 Q108 S134 L135K84-Y110 HydrophobicContact CB-CE2 4.38Å; V85-Y110 PolarHBondContact O-N 3.02Å; V86-Y110 CarbonylContact C-O 3.58Å; V86-Y110 WeakPolarHBondContact CA-O 3.49Å; L87-Y110 PolarHBondContact N-O 3.36Å; Q108-Y110 HydrophobicContact CB-CE2 4.37Å; Y110-S134 WeakPolarHBondContact CE1-OG 3.45Å; Y110-S134 PolarHBondContact OH-OG 3.44Å; Y110-L135 HydrophobicContact CD2-CD1 4.49Å; Y110-L135 HydrophobicContact CD2-CD2 3.61Å; Y110-L135 HydrophobicContact CD2-CG 4.41Å; Y110-L135 HydrophobicContact CE2-CD2 3.58Å; Y110-L135 HydrophobicContact CE2-CG 4.47Å; Y110-L135 HydrophobicContact CG-CD1 4.24Å; Y110-L135 HydrophobicContact CG-CD2 4.14Å; Y110-L135 HydrophobicContact CG-CG 4.49Å
111A98.5Very high98.1Very high24 Ų2444.8 Ų44.820%0.19828%0.277CS..EExtended strand (participates in β ladder)trans-119.5138.3-177.600000110.7L87 A95 E96 A99L87-A111 HydrophobicContact CB-CB 4.43Å; L87-A111 WeakPolarHBondContact O-CA 3.39Å; A95-A111 HydrophobicContact CB-CB 4.02Å; E96-A111 HydrophobicContact CB-CB 4.4Å; E96-A111 HydrophobicContact CG-CB 3.85Å; A99-A111 HydrophobicContact CB-CB 4.06Å
112F98.3Very high98.1Very high21 Ų2141 Ų419%0.09226%0.258CS..EExtended strand (participates in β ladder)trans-134.6133.4173.4-55.8-101.9000109.8V86 L87 L88 D89 I125 Q128 I129 L135V86-F112 HydrophobicContact CG1-CD2 3.59Å; V86-F112 HydrophobicContact CG1-CE2 3.6Å; L87-F112 PolarHBondContact O-N 3.48Å; L88-F112 HydrophobicContact CD2-CB 3.75Å; L88-F112 HydrophobicContact CD2-CD2 4.22Å; L88-F112 HydrophobicContact CD2-CG 4.3Å; D89-F112 PolarHBondContact N-O 3.08Å; F112-I125 HydrophobicContact CB-CD1 3.81Å; F112-I125 HydrophobicContact CD1-CD1 3.91Å; F112-I125 HydrophobicContact CG-CD1 4.21Å; F112-Q128 HydrophobicContact CE1-CG 3.99Å; F112-I129 HydrophobicContact CD2-CD1 4.22Å; F112-I129 HydrophobicContact CD2-CG1 4.19Å; F112-I129 HydrophobicContact CE1-CG1 4.35Å; F112-I129 HydrophobicContact CE2-CD1 4.3Å; F112-I129 HydrophobicContact CE2-CG1 3.81Å; F112-I129 HydrophobicContact CZ-CG1 3.91Å; F112-L135 HydrophobicContact CE2-CD1 4.38Å; F112-L135 HydrophobicContact CZ-CD1 4.4Å
113G97.7Very high98.1Very high17 Ų1747.4 Ų47.418%0.17528%0.282CS..EExtended strand (participates in β ladder)trans-75.2124170.300000111D89D89-G113 CarbonylContact O-C 3.54Å; D89-G113 WeakPolarHBondContact O-CA 3.22Å
114C96.8Very high98.1Very high3 Ų349.2 Ų49.22%0.0229%0.288CS..  trans-153.6139.7172.966.60000112.8D89 L90 Q121 M122 I125D89-C114 CarbonylContact C-O 3.6Å; D89-C114 VanDerWaalsContact C-O 3.28Å; D89-C114 PolarHBondContact O-N 3.32Å; L90-C114 WeakPolarHBondContact CA-O 3.46Å; L90-C114 PolarHBondContact N-O 3.03Å; C114-Q121 HydrophobicContact CB-CG 4.33Å; C114-M122 HydrophobicContact CB-SD 4.2Å; C114-I125 HydrophobicContact CB-CG1 4.08Å
115D98.3Very high98.1Very high55 Ų5545.4 Ų45.429%0.29426%0.26SS..  trans-84.6112.1161.5-169.9-7.6000109.1L90 A117 D118L90-D115 HydrophobicContact CD1-CB 3.75Å; D115-A117 PolarHBondContact O-N 2.92Å; D115-A117 VanDerWaalsContact OD1-CB 3.25Å; D115-A117 WeakPolarHBondContact OD1-CB 3.42Å; D115-A117 PolarHBondContact OD1-N 2.87Å; D115-D118 HydrophobicContact CB-CB 4.38Å; D115-D118 PolarHBondContact O-N 2.85Å
116V98.4Very high98.1Very high10 Ų1040.7 Ų40.76%0.06123%0.231CC..THydrogen-bonded Turntrans-61.2-23.5175.7-64.20000112T64 D118 M122 A145 V167 G171 W174T64-V116 HydrophobicContact CG2-CG1 3.92Å; V116-D118 PolarHBondContact O-N 3.22Å; V116-M122 HydrophobicContact CB-SD 4.45Å; V116-M122 HydrophobicContact CG1-SD 4.1Å; V116-A145 HydrophobicContact CG1-CB 4.2Å; V116-A145 HydrophobicContact CG2-CB 4.05Å; V116-V167 HydrophobicContact CG2-CG1 4.12Å; V116-G171 VanDerWaalsContact O-CA 3.26Å; V116-G171 WeakPolarHBondContact O-CA 3.31Å; V116-W174 VanDerWaalsContact O-CD1 3.23Å
117A98.3Very high98.2Very high24 Ų2443 Ų4320%0.19823%0.226CC..THydrogen-bonded Turntrans-72.7-14.817700000113.4D115 P119 N166 W174D115-A117 PolarHBondContact O-N 2.92Å; D115-A117 VanDerWaalsContact OD1-CB 3.25Å; D115-A117 WeakPolarHBondContact OD1-CB 3.42Å; D115-A117 PolarHBondContact OD1-N 2.87Å; A117-P119 WeakPolarHBondContact O-CD 3.38Å; A117-N166 HydrophobicContact CB-CB 4.05Å; A117-W174 PolarHBondContact O-NE1 3.41Å
118D98.5Very high98.2Very high68 Ų6846.9 Ų46.936%0.36424%0.241SC..  trans-94.8110.5177.2-173-32.1000111.3D115 V116 A120 Q121 M122D115-D118 HydrophobicContact CB-CB 4.38Å; D115-D118 PolarHBondContact O-N 2.85Å; V116-D118 PolarHBondContact O-N 3.22Å; D118-A120 VanDerWaalsContact C-N 3.32Å; D118-A120 PolarHBondContact O-N 3.05Å; D118-A120 WeakPolarHBondContact OD1-CA 3.5Å; D118-A120 WeakPolarHBondContact OD1-CB 3.3Å; D118-A120 PolarHBondContact OD1-N 2.88Å; D118-Q121 HydrophobicContact CB-CB 3.84Å; D118-Q121 PolarHBondContact O-N 3.38Å; D118-Q121 PolarHBondContact OD1-N 3.08Å; D118-M122 WeakPolarHBondContact O-CG 3.07Å; D118-M122 PolarHBondContact O-N 3.47Å
119P98.2Very high98.2Very high42 Ų4243.1 Ų43.127%0.27322%0.223SC..Hα-helixtrans-69.1-27-17928.5-34.7000113.7A117 R123 W174A117-P119 WeakPolarHBondContact O-CD 3.38Å; P119-R123 WeakPolarHBondContact O-CG 3.35Å; P119-R123 PolarHBondContact O-N 2.83Å; P119-R123 PolarHBondContact O-NE 3.29Å; P119-R123 PolarHBondContact O-NH1 3.3Å; P119-W174 HydrophobicContact CB-CB 4.46Å; P119-W174 HydrophobicContact CB-CD2 3.69Å; P119-W174 HydrophobicContact CB-CE3 4.14Å; P119-W174 HydrophobicContact CB-CG 3.82Å; P119-W174 HydrophobicContact CB-CZ2 4.44Å
120A98.4Very high98.1Very high52 Ų5247 Ų4743%0.4324%0.237SC..Hα-helixtrans-74.5-44.1177.200000110.5D118 M122 R123 E124D118-A120 VanDerWaalsContact C-N 3.32Å; D118-A120 PolarHBondContact O-N 3.05Å; D118-A120 WeakPolarHBondContact OD1-CA 3.5Å; D118-A120 WeakPolarHBondContact OD1-CB 3.3Å; D118-A120 PolarHBondContact OD1-N 2.88Å; A120-M122 PolarHBondContact O-N 3.24Å; A120-R123 PolarHBondContact O-N 3.41Å; A120-E124 PolarHBondContact O-N 2.87Å
121Q97.8Very high98.1Very high74 Ų7449 Ų4935%0.34625%0.251SS..Hα-helixtrans-62.3-43.1176.4-164.8173.933.100111.6C114 D118 R123 E124 I125C114-Q121 HydrophobicContact CB-CG 4.33Å; D118-Q121 HydrophobicContact CB-CB 3.84Å; D118-Q121 PolarHBondContact O-N 3.38Å; D118-Q121 PolarHBondContact OD1-N 3.08Å; Q121-R123 VanDerWaalsContact C-N 3.33Å; Q121-R123 PolarHBondContact O-N 2.96Å; Q121-E124 PolarHBondContact O-N 3.07Å; Q121-I125 WeakPolarHBondContact O-CB 3.45Å; Q121-I125 PolarHBondContact O-N 3.25Å
122M98.4Very high98Very high0 Ų050 Ų500%025%0.253CS..Hα-helixtrans-62.3-37.7176.9-75.3-51.9-55.300113.3L88 C114 V116 D118 A120 A126 W174 T175 A178 F179L88-M122 HydrophobicContact CD1-CE 4.41Å; C114-M122 HydrophobicContact CB-SD 4.2Å; V116-M122 HydrophobicContact CB-SD 4.45Å; V116-M122 HydrophobicContact CG1-SD 4.1Å; D118-M122 WeakPolarHBondContact O-CG 3.07Å; D118-M122 PolarHBondContact O-N 3.47Å; A120-M122 PolarHBondContact O-N 3.24Å; M122-A126 WeakPolarHBondContact O-CB 3.41Å; M122-A126 PolarHBondContact O-N 3.37Å; M122-W174 HydrophobicContact CB-CB 4.18Å; M122-W174 HydrophobicContact CG-CB 4.06Å; M122-T175 HydrophobicContact CE-CG2 3.99Å; M122-A178 HydrophobicContact CB-CB 4.32Å; M122-A178 WeakPolarHBondContact O-CB 3.37Å; M122-F179 HydrophobicContact CE-CE2 4.33Å
123R98.3Very high97.9Very high135 Ų13555.5 Ų55.551%0.50929%0.291SS..Hα-helixtrans-65.7-43.4174.9-77.2-173.8-61.9-942.9112.3P119 A120 Q121 A126 K127P119-R123 WeakPolarHBondContact O-CG 3.35Å; P119-R123 PolarHBondContact O-N 2.83Å; P119-R123 PolarHBondContact O-NE 3.29Å; P119-R123 PolarHBondContact O-NH1 3.3Å; A120-R123 PolarHBondContact O-N 3.41Å; Q121-R123 VanDerWaalsContact C-N 3.33Å; Q121-R123 PolarHBondContact O-N 2.96Å; R123-A126 PolarHBondContact O-N 3.41Å; R123-K127 PolarHBondContact O-N 3.49Å; R123-K127 VanDerWaalsContact O-N 3.08Å
124E98.2Very high97.8Very high109 Ų10956.4 Ų56.451%0.50930%0.295SS..Hα-helixtrans-66.8-43.9-179.8-17256.2-151.600111.2A120 Q121 A126 K127 Q128A120-E124 PolarHBondContact O-N 2.87Å; Q121-E124 PolarHBondContact O-N 3.07Å; E124-A126 PolarHBondContact O-N 3.45Å; E124-K127 WeakPolarHBondContact O-CB 3.22Å; E124-K127 PolarHBondContact O-N 2.89Å; E124-Q128 WeakPolarHBondContact O-CB 3.26Å; E124-Q128 PolarHBondContact O-N 2.86Å
125I97.8Very high97.9Very high12 Ų1257.3 Ų57.36%0.06230%0.299CS..Hα-helixtrans-61.2-42.6175.2-78.4-61.9000112.1L88 F112 C114 Q121 K127 Q128 I129L88-I125 HydrophobicContact CD1-CG2 4.41Å; L88-I125 HydrophobicContact CD2-CG2 3.6Å; F112-I125 HydrophobicContact CB-CD1 3.81Å; F112-I125 HydrophobicContact CD1-CD1 3.91Å; F112-I125 HydrophobicContact CG-CD1 4.21Å; C114-I125 HydrophobicContact CB-CG1 4.08Å; Q121-I125 WeakPolarHBondContact O-CB 3.45Å; Q121-I125 PolarHBondContact O-N 3.25Å; I125-K127 VanDerWaalsContact C-N 3.3Å; I125-K127 PolarHBondContact O-N 3.15Å; I125-Q128 PolarHBondContact O-N 3.14Å; I125-I129 HydrophobicContact CG2-CD1 3.63Å; I125-I129 HydrophobicContact CG2-CG1 4.5Å; I125-I129 WeakPolarHBondContact O-CB 3.35Å; I125-I129 WeakPolarHBondContact O-CG1 3.28Å; I125-I129 PolarHBondContact O-N 3.01Å
126A98.3Very high97.7Very high0 Ų055.7 Ų55.70%030%0.295CS..Hα-helixtrans-62.4-39.4177.100000112.2M122 R123 E124 R130 A178 F179 Y182M122-A126 WeakPolarHBondContact O-CB 3.41Å; M122-A126 PolarHBondContact O-N 3.37Å; R123-A126 PolarHBondContact O-N 3.41Å; E124-A126 PolarHBondContact O-N 3.45Å; A126-R130 VanDerWaalsContact O-CB 3.29Å; A126-R130 WeakPolarHBondContact O-CB 3.32Å; A126-R130 PolarHBondContact O-N 2.78Å; A126-A178 HydrophobicContact CB-CB 3.63Å; A126-F179 HydrophobicContact CB-CD1 3.82Å; A126-F179 HydrophobicContact CB-CD2 4.2Å; A126-F179 HydrophobicContact CB-CE1 3.54Å; A126-F179 HydrophobicContact CB-CE2 3.94Å; A126-F179 HydrophobicContact CB-CG 4.14Å; A126-F179 HydrophobicContact CB-CZ 3.61Å; A126-Y182 HydrophobicContact CB-CE2 4.14Å
127K98.1Very high97.6Very high100 Ų10056.1 Ų56.144%0.43530%0.299SS..Hα-helixtrans-65.8-44.1174.4-177.1-175.5175-165.60111.7R123 E124 I125 R130 N131R123-K127 PolarHBondContact O-N 3.49Å; R123-K127 VanDerWaalsContact O-N 3.08Å; E124-K127 WeakPolarHBondContact O-CB 3.22Å; E124-K127 PolarHBondContact O-N 2.89Å; I125-K127 VanDerWaalsContact C-N 3.3Å; I125-K127 PolarHBondContact O-N 3.15Å; K127-R130 PolarHBondContact O-N 2.84Å; K127-N131 WeakPolarHBondContact O-CB 3.34Å; K127-N131 PolarHBondContact O-N 2.95Å; K127-N131 PolarHBondContact O-ND2 3.45Å
128Q98.1Very high97.6Very high96 Ų9655 Ų5545%0.44929%0.289SS..Hα-helixtrans-59.1-49.8177.1-175.2178.81.200111F112 E124 I125 N131 D132F112-Q128 HydrophobicContact CE1-CG 3.99Å; E124-Q128 WeakPolarHBondContact O-CB 3.26Å; E124-Q128 PolarHBondContact O-N 2.86Å; I125-Q128 PolarHBondContact O-N 3.14Å; Q128-N131 PolarHBondContact O-N 2.82Å; Q128-D132 PolarHBondContact O-N 3.29Å
129I98.3Very high97.6Very high0 Ų053.1 Ų53.10%028%0.279CS..Hα-helixtrans-61.9-45.9178.4-71.6163.6000111.5V86 L88 F112 I125 N131 D132 L135 G136 P138 F179V86-I129 HydrophobicContact CG1-CD1 3.63Å; V86-I129 HydrophobicContact CG1-CG1 4.09Å; L88-I129 HydrophobicContact CD1-CD1 4.42Å; L88-I129 HydrophobicContact CD2-CD1 3.86Å; F112-I129 HydrophobicContact CD2-CD1 4.22Å; F112-I129 HydrophobicContact CD2-CG1 4.19Å; F112-I129 HydrophobicContact CE1-CG1 4.35Å; F112-I129 HydrophobicContact CE2-CD1 4.3Å; F112-I129 HydrophobicContact CE2-CG1 3.81Å; F112-I129 HydrophobicContact CZ-CG1 3.91Å; I125-I129 HydrophobicContact CG2-CD1 3.63Å; I125-I129 HydrophobicContact CG2-CG1 4.5Å; I125-I129 WeakPolarHBondContact O-CB 3.35Å; I125-I129 WeakPolarHBondContact O-CG1 3.28Å; I125-I129 PolarHBondContact O-N 3.01Å; I129-N131 VanDerWaalsContact C-N 3.25Å; I129-N131 PolarHBondContact O-N 2.74Å; I129-D132 PolarHBondContact O-N 3.38Å; I129-L135 HydrophobicContact CG2-CD1 4.16Å; I129-G136 PolarHBondContact O-N 2.87Å; I129-P138 HydrophobicContact CG2-CG 3.83Å; I129-F179 HydrophobicContact CB-CE1 4.43Å; I129-F179 HydrophobicContact CD1-CE1 4.47Å; I129-F179 HydrophobicContact CD1-CZ 3.96Å; I129-F179 HydrophobicContact CG2-CE1 4.34Å
130R97.5Very high97.7Very high87 Ų8751.2 Ų51.233%0.32827%0.267SS..Hα-helixtrans-57.3-41.5178.2-179.1-164177.4178.49.3111.7A126 K127 G136 Y182 E185A126-R130 VanDerWaalsContact O-CB 3.29Å; A126-R130 WeakPolarHBondContact O-CB 3.32Å; A126-R130 PolarHBondContact O-N 2.78Å; K127-R130 PolarHBondContact O-N 2.84Å; R130-G136 WeakPolarHBondContact O-CA 3.33Å; R130-Y182 VanDerWaalsContact NH1-CD1 3.33Å; R130-E185 IonicContact CZ-OE2 2.84Å; R130-E185 IonicContact NH1-OE2 2.94Å; R130-E185 IonicContact NH2-OE1 3.75Å; R130-E185 IonicContact NH2-OE2 3.85Å; R130-E185 PolarHBondContact NH2-OE2 3.09Å
131N97.2Very high97.7Very high100 Ų10048.8 Ų48.854%0.53525%0.247SC..Hα-helixtrans-88.1-7.4-173.6-66.1-17.7000113.2K127 Q128 I129 P133K127-N131 WeakPolarHBondContact O-CB 3.34Å; K127-N131 PolarHBondContact O-N 2.95Å; K127-N131 PolarHBondContact O-ND2 3.45Å; Q128-N131 PolarHBondContact O-N 2.82Å; I129-N131 VanDerWaalsContact C-N 3.25Å; I129-N131 PolarHBondContact O-N 2.74Å; N131-P133 WeakPolarHBondContact O-CD 3.5Å
132D97.6Very high97.7Very high45 Ų4545.3 Ų45.324%0.24123%0.23CC..  trans-68122.6177.7-172.5-54.7000110.3Q128 I129 S134 L135 G136Q128-D132 PolarHBondContact O-N 3.29Å; I129-D132 PolarHBondContact O-N 3.38Å; D132-S134 PolarHBondContact O-N 3.42Å; D132-S134 WeakPolarHBondContact OD1-CA 3.33Å; D132-S134 WeakPolarHBondContact OD1-CB 3.39Å; D132-S134 PolarHBondContact OD1-N 3.42Å; D132-S134 PolarHBondContact OD1-OG 3.46Å; D132-L135 HydrophobicContact CB-CB 4.09Å; D132-L135 HydrophobicContact CB-CD1 4.13Å; D132-L135 HydrophobicContact CB-CG 4.26Å; D132-L135 CarbonylContact O-C 3.44Å; D132-L135 PolarHBondContact O-N 2.96Å; D132-G136 PolarHBondContact O-N 3.18Å
133P95.8Very high97.7Very high136 Ų13645.4 Ų45.488%0.88323%0.231SC*.THydrogen-bonded Turntrans-62.3-24.4-176.7-23.433.6000114.7N131 L135N131-P133 WeakPolarHBondContact O-CD 3.5Å; P133-L135 VanDerWaalsContact C-N 3.34Å
134S96.5Very high97.7Very high37 Ų3740.1 Ų40.126%0.25922%0.216SC..THydrogen-bonded Turntrans-82.5-17.4177.1740000112.5K84 Y110 D132K84-S134 WeakPolarHBondContact CD-O 3.28Å; K84-S134 WeakPolarHBondContact CE-O 3.46Å; K84-S134 PolarHBondContact NZ-O 3.4Å; Y110-S134 WeakPolarHBondContact CE1-OG 3.45Å; Y110-S134 PolarHBondContact OH-OG 3.44Å; D132-S134 PolarHBondContact O-N 3.42Å; D132-S134 WeakPolarHBondContact OD1-CA 3.33Å; D132-S134 WeakPolarHBondContact OD1-CB 3.39Å; D132-S134 PolarHBondContact OD1-N 3.42Å; D132-S134 PolarHBondContact OD1-OG 3.46Å
135L97Very high97.6Very high22 Ų2235.6 Ų35.612%0.11520%0.197CC..  trans-112.7-106.3-177.7-58.6174000110.7V60 K84 V86 Y110 F112 I129 D132 P133V60-L135 HydrophobicContact CG1-CD2 4.19Å; V60-L135 HydrophobicContact CG2-CB 4.46Å; V60-L135 HydrophobicContact CG2-CD2 4.23Å; K84-L135 HydrophobicContact CB-CD2 4.3Å; K84-L135 HydrophobicContact CD-CD2 4.38Å; V86-L135 HydrophobicContact CG2-CD1 3.73Å; V86-L135 HydrophobicContact CG2-CD2 3.85Å; V86-L135 HydrophobicContact CG2-CG 4.43Å; Y110-L135 HydrophobicContact CD2-CD1 4.49Å; Y110-L135 HydrophobicContact CD2-CD2 3.61Å; Y110-L135 HydrophobicContact CD2-CG 4.41Å; Y110-L135 HydrophobicContact CE2-CD2 3.58Å; Y110-L135 HydrophobicContact CE2-CG 4.47Å; Y110-L135 HydrophobicContact CG-CD1 4.24Å; Y110-L135 HydrophobicContact CG-CD2 4.14Å; Y110-L135 HydrophobicContact CG-CG 4.49Å; F112-L135 HydrophobicContact CE2-CD1 4.38Å; F112-L135 HydrophobicContact CZ-CD1 4.4Å; I129-L135 HydrophobicContact CG2-CD1 4.16Å; D132-L135 HydrophobicContact CB-CB 4.09Å; D132-L135 HydrophobicContact CB-CD1 4.13Å; D132-L135 HydrophobicContact CB-CG 4.26Å; D132-L135 CarbonylContact O-C 3.44Å; D132-L135 PolarHBondContact O-N 2.96Å; P133-L135 VanDerWaalsContact C-N 3.34Å
136G95.1Very high97.5Very high20 Ų2036.3 Ų36.321%0.20621%0.208CC..  trans117.7-173.1-164.200000111.6I129 R130 D132 P138I129-G136 PolarHBondContact O-N 2.87Å; R130-G136 WeakPolarHBondContact O-CA 3.33Å; D132-G136 PolarHBondContact O-N 3.18Å; G136-P138 WeakPolarHBondContact O-CD 3.24Å
137C96.3Very high97.3Very high20 Ų2037.9 Ų37.914%0.13522%0.218CC..SBendtrans-60.2127.8172.8-176.40000109.5D139 R186C137-D139 PolarHBondContact O-N 2.91Å; C137-R186 PolarHBondContact O-NH1 3.14Å
138P98.5Very high97Very high0 Ų034.6 Ų34.60%020%0.202CC..  trans-57138176-28.137.5000112.2V60 A62 I129 G136 I141 F179 M183 R186V60-P138 HydrophobicContact CG1-CB 4.09Å; V60-P138 HydrophobicContact CG1-CG 4.18Å; V60-P138 CarbonylContact O-C 3.47Å; A62-P138 HydrophobicContact CB-CB 4.15Å; A62-P138 HydrophobicContact CB-CG 4.01Å; I129-P138 HydrophobicContact CG2-CG 3.83Å; G136-P138 WeakPolarHBondContact O-CD 3.24Å; P138-I141 HydrophobicContact CB-CD1 3.42Å; P138-I141 VanDerWaalsContact CB-CD1 3.42Å; P138-I141 HydrophobicContact CB-CG1 4.35Å; P138-I141 HydrophobicContact CG-CD1 3.68Å; P138-F179 HydrophobicContact CG-CD1 3.9Å; P138-F179 HydrophobicContact CG-CE1 3.67Å; P138-F179 HydrophobicContact CG-CZ 4.47Å; P138-M183 WeakPolarHBondContact O-CE 3.49Å; P138-R186 PolarHBondContact O-NH2 3.13Å
139D98.6Very high96.7Very high29 Ų2931.7 Ų31.716%0.15519%0.191CC..SBendtrans-77.1-33.8172.2-62.6-91.5000111.1K59 V60 C137 R186 G189 H190K59-D139 WeakPolarHBondContact CA-OD2 3.28Å; K59-D139 HydrophobicContact CB-CB 4.17Å; K59-D139 HydrophobicContact CD-CB 3.87Å; K59-D139 WeakPolarHBondContact CD-OD1 3.42Å; K59-D139 VanDerWaalsContact CD-OD2 3.31Å; K59-D139 WeakPolarHBondContact CD-OD2 3.38Å; K59-D139 IonicContact NZ-OD1 2.72Å; K59-D139 PolarHBondContact NZ-OD1 3.03Å; V60-D139 PolarHBondContact N-OD2 2.86Å; V60-D139 PolarHBondContact O-N 3.34Å; C137-D139 PolarHBondContact O-N 2.91Å; D139-R186 IonicContact OD1-NH1 3.02Å; D139-G189 CarbonylContact O-C 3.57Å; D139-G189 WeakPolarHBondContact O-CA 3.47Å; D139-H190 PolarHBondContact O-N 3.25Å
140V98.8Very high96.3Very high2 Ų233.2 Ų33.21%0.01220%0.201CC..EExtended strand (participates in β ladder)trans-130.3135.3176.5-173.30000109.4V60 I61 A62 H190 V192 I277V60-V140 PolarHBondContact O-N 3.24Å; V60-V140 VanDerWaalsContact O-N 3.15Å; I61-V140 WeakPolarHBondContact CA-O 3.36Å; I61-V140 HydrophobicContact CB-CB 4.42Å; I61-V140 HydrophobicContact CG1-CB 4.09Å; I61-V140 HydrophobicContact CG1-CG2 4.2Å; I61-V140 HydrophobicContact CG2-CB 4.12Å; I61-V140 HydrophobicContact CG2-CG1 4.36Å; A62-V140 PolarHBondContact N-O 2.92Å; V140-H190 CarbonylContact C-O 3.57Å; V140-H190 VanDerWaalsContact CA-O 3.28Å; V140-H190 WeakPolarHBondContact CA-O 3.38Å; V140-H190 HydrophobicContact CG1-CB 4.39Å; V140-H190 HydrophobicContact CG2-CB 4.15Å; V140-V192 HydrophobicContact CG1-CG2 4.17Å; V140-I277 HydrophobicContact CG1-CG2 4.14Å; V140-I277 HydrophobicContact CG2-CG2 4.2Å
141I98.8Very high96Very high1 Ų132.5 Ų32.51%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-114.4124.1167.1-58-63.5000107.7A62 P138 T175 F179 M183 H190 L191 V192A62-I141 HydrophobicContact CB-CD1 3.73Å; A62-I141 CarbonylContact O-C 3.52Å; A62-I141 WeakPolarHBondContact O-CA 3.04Å; P138-I141 HydrophobicContact CB-CD1 3.42Å; P138-I141 VanDerWaalsContact CB-CD1 3.42Å; P138-I141 HydrophobicContact CB-CG1 4.35Å; P138-I141 HydrophobicContact CG-CD1 3.68Å; I141-T175 HydrophobicContact CG2-CG2 3.68Å; I141-F179 HydrophobicContact CD1-CB 3.95Å; I141-F179 HydrophobicContact CD1-CD1 3.83Å; I141-F179 HydrophobicContact CD1-CD2 3.62Å; I141-F179 HydrophobicContact CD1-CE1 4.18Å; I141-F179 HydrophobicContact CD1-CE2 4.01Å; I141-F179 HydrophobicContact CD1-CG 3.52Å; I141-F179 HydrophobicContact CD1-CZ 4.26Å; I141-F179 HydrophobicContact CG1-CB 3.89Å; I141-F179 HydrophobicContact CG1-CD2 4.18Å; I141-F179 HydrophobicContact CG1-CG 4.01Å; I141-M183 HydrophobicContact CD1-CE 4.45Å; I141-M183 HydrophobicContact CG1-CE 3.6Å; I141-M183 HydrophobicContact CG1-SD 4.47Å; I141-H190 PolarHBondContact N-O 2.78Å; I141-L191 HydrophobicContact CB-CD2 4.03Å; I141-L191 HydrophobicContact CG1-CD2 4.18Å; I141-V192 PolarHBondContact O-N 3.2Å
142L98.8Very high95.8Very high0 Ų030.3 Ų30.30%019%0.188CC..EExtended strand (participates in β ladder)trans-112.4107.6174.2176.361.1000109.9A62 I63 T64 V74 A144 V192 V194 I273A62-L142 PolarHBondContact O-N 3.28Å; I63-L142 WeakPolarHBondContact CA-O 3.28Å; I63-L142 HydrophobicContact CB-CB 4.46Å; I63-L142 HydrophobicContact CG1-CB 4.15Å; I63-L142 HydrophobicContact CG1-CD2 4.35Å; I63-L142 HydrophobicContact CG2-CB 4.23Å; I63-L142 HydrophobicContact CG2-CD2 3.93Å; I63-L142 HydrophobicContact CG2-CG 4.14Å; T64-L142 PolarHBondContact N-O 3.26Å; V74-L142 HydrophobicContact CB-CD2 4.19Å; V74-L142 HydrophobicContact CG1-CD2 3.63Å; V74-L142 HydrophobicContact CG2-CD2 4.36Å; L142-A144 HydrophobicContact CG-CB 4.21Å; L142-A144 PolarHBondContact O-N 2.94Å; L142-V192 CarbonylContact C-O 3.59Å; L142-V192 WeakPolarHBondContact CA-O 3.33Å; L142-V192 HydrophobicContact CD1-CB 3.83Å; L142-V192 HydrophobicContact CD1-CG1 3.53Å; L142-V194 HydrophobicContact CD1-CG2 3.76Å; L142-I273 HydrophobicContact CD1-CG2 4.35Å; L142-I273 HydrophobicContact CD2-CG2 4.17Å
143C98.7Very high95.7Very high3 Ų333.7 Ų33.72%0.0221%0.205CC..EExtended strand (participates in β ladder)trans-81.590.7172.4-58.60000109.6T64 V192 V193 V194T64-C143 WeakPolarHBondContact OG1-CA 3.34Å; C143-V192 PolarHBondContact N-O 3.14Å; C143-V193 HydrophobicContact CB-CB 4.43Å; C143-V193 HydrophobicContact CB-CG1 4.38Å; C143-V193 HydrophobicContact CB-CG2 3.98Å; C143-V194 PolarHBondContact O-N 3.08Å
144A97.8Very high95.7Very high23 Ų2334.2 Ų34.219%0.1920%0.196CC..  trans-109.4-7.4178.300000113.9I63 T64 L142 G146 V194I63-A144 HydrophobicContact CG2-CB 4.45Å; T64-A144 CarbonylContact O-C 3.58Å; T64-A144 WeakPolarHBondContact O-CA 3.26Å; T64-A144 WeakPolarHBondContact O-CB 3.4Å; T64-A144 PolarHBondContact O-N 2.81Å; T64-A144 PolarHBondContact OG1-N 3.49Å; L142-A144 HydrophobicContact CG-CB 4.21Å; L142-A144 PolarHBondContact O-N 2.94Å; A144-G146 PolarHBondContact O-N 3.33Å; A144-V194 HydrophobicContact CB-CB 4.46Å; A144-V194 HydrophobicContact CB-CG2 3.82Å
145A96.3Very high95.6Very high14 Ų1437.2 Ų37.212%0.11621%0.209CC..  trans-57.8133.6174.300000111.1T64 V116T64-A145 PolarHBondContact O-N 3.25Å; T64-A145 PolarHBondContact OG1-N 3.32Å; V116-A145 HydrophobicContact CG1-CB 4.2Å; V116-A145 HydrophobicContact CG2-CB 4.05Å
146G95.2Very high95.5Very high27 Ų2737.3 Ų37.328%0.27821%0.21SC..  trans-170.4154177.600000113.4A144 N168A144-G146 PolarHBondContact O-N 3.33Å; G146-N168 WeakPolarHBondContact CA-OD1 3.35Å
147V95Very high95.6Very high34 Ų3439.5 Ų39.521%0.20622%0.22CC..  trans-129.9154.5175.4-63.30000109.7K163 V167 N168 Y209V147-K163 HydrophobicContact CG2-CG 4.41Å; V147-V167 HydrophobicContact CG1-CG1 4.17Å; V147-V167 HydrophobicContact CG2-CB 3.97Å; V147-V167 HydrophobicContact CG2-CG1 4.28Å; V147-V167 HydrophobicContact CG2-CG2 4.37Å; V147-N168 PolarHBondContact N-OD1 3.44Å; V147-N168 PolarHBondContact O-ND2 3.28Å; V147-N168 PolarHBondContact O-OD1 3.25Å; V147-Y209 WeakPolarHBondContact O-CD2 3.47Å
148W92.1Very high95.7Very high31 Ų3144.8 Ų44.812%0.11725%0.247CC..  trans-141.3119.7174.8-178.421.5000109.5V150 Y205 Y209 L250 L251 C254 Y311W148-V150 HydrophobicContact CD2-CG2 3.76Å; W148-V150 HydrophobicContact CE3-CG2 3.99Å; W148-V150 HydrophobicContact CG-CG2 4.3Å; W148-V150 HydrophobicContact CH2-CG2 4.04Å; W148-V150 HydrophobicContact CZ2-CG1 4.42Å; W148-V150 HydrophobicContact CZ2-CG2 3.8Å; W148-V150 HydrophobicContact CZ3-CG2 4.1Å; W148-Y205 PolarHBondContact NE1-O 2.95Å; W148-Y209 HydrophobicContact CB-CD2 3.65Å; W148-Y209 HydrophobicContact CB-CE2 3.88Å; W148-Y209 HydrophobicContact CB-CG 4.38Å; W148-Y209 AromaticContact CD1-CD2 3.81Å; W148-Y209 AromaticContact CD1-CG 3.68Å; W148-Y209 AromaticContact CG-CD2 3.76Å; W148-Y209 HydrophobicContact CG-CD2 3.76Å; W148-Y209 HydrophobicContact CG-CE2 4.21Å; W148-Y209 HydrophobicContact CG-CG 4Å; W148-L250 HydrophobicContact CB-CD2 4.1Å; W148-L250 HydrophobicContact CE3-CB 4.4Å; W148-L251 HydrophobicContact CZ3-CD2 3.72Å; W148-C254 HydrophobicContact CH2-CB 4.18Å; W148-C254 HydrophobicContact CZ3-CB 4.32Å; W148-Y311 HydrophobicContact CH2-CE1 4.18Å; W148-Y311 HydrophobicContact CZ2-CE1 4.23Å
149T90.6Very high95.7Very high35 Ų3548.6 Ų48.622%0.21527%0.274CS..  trans-96.1121167.1-60.60000109.1K151 D160T149-K151 HydrophobicContact CG2-CB 4.48Å; T149-K151 HydrophobicContact CG2-CD 3.89Å; T149-K151 HydrophobicContact CG2-CG 3.89Å; T149-K151 PolarHBondContact O-N 3.49Å; T149-D160 HydrophobicContact CG2-CB 4.03Å
150V90.6Very high95.6Very high32 Ų3248.5 Ų48.519%0.19427%0.273CS..  trans-94.492-176.3-174.90000109W148 C254W148-V150 HydrophobicContact CD2-CG2 3.76Å; W148-V150 HydrophobicContact CE3-CG2 3.99Å; W148-V150 HydrophobicContact CG-CG2 4.3Å; W148-V150 HydrophobicContact CH2-CG2 4.04Å; W148-V150 HydrophobicContact CZ2-CG1 4.42Å; W148-V150 HydrophobicContact CZ2-CG2 3.8Å; W148-V150 HydrophobicContact CZ3-CG2 4.1Å; V150-C254 HydrophobicContact CB-CB 4.41Å; V150-C254 HydrophobicContact CG1-CB 3.87Å; V150-C254 HydrophobicContact CG2-CB 3.86Å
151K91.3Very high95.5Very high72 Ų7251 Ų5131%0.31329%0.288SS..  trans-149.5151.4-179.6-69.3-175.2-1741740111T149 D155 D160 Y205T149-K151 HydrophobicContact CG2-CB 4.48Å; T149-K151 HydrophobicContact CG2-CD 3.89Å; T149-K151 HydrophobicContact CG2-CG 3.89Å; T149-K151 PolarHBondContact O-N 3.49Å; K151-D155 HydrophobicContact CB-CB 4.36Å; K151-D155 WeakPolarHBondContact CD-O 3.15Å; K151-D160 IonicContact NZ-OD1 2.78Å; K151-D160 IonicContact NZ-OD2 3.3Å; K151-D160 PolarHBondContact NZ-OD2 3.49Å; K151-Y205 PolarHBondContact N-O 2.89Å; K151-Y205 CarbonylContact O-C 3.38Å; K151-Y205 WeakPolarHBondContact O-CA 3.49Å
152L92.4Very high95.5Very high53 Ų5356.6 Ų56.628%0.27731%0.314SS..  trans-61.3158.6164.5-67.3173.5000109.8E154 D155 T156 Y205L152-E154 VanDerWaalsContact C-N 3.31Å; L152-E154 HydrophobicContact CB-CG 4.24Å; L152-E154 PolarHBondContact O-N 3.33Å; L152-D155 PolarHBondContact O-N 3.35Å; L152-D155 VanDerWaalsContact O-N 3.14Å; L152-T156 PolarHBondContact O-N 3.45Å; L152-T156 PolarHBondContact O-OG1 3.26Å; L152-Y205 HydrophobicContact CD1-CE1 4.22Å; L152-Y205 HydrophobicContact CD2-CD1 3.87Å; L152-Y205 HydrophobicContact CD2-CE1 3.55Å; L152-Y205 HydrophobicContact CD2-CE2 4.25Å; L152-Y205 HydrophobicContact CD2-CG 4.35Å; L152-Y205 HydrophobicContact CG-CD1 3.9Å; L152-Y205 HydrophobicContact CG-CE1 3.49Å; L152-Y205 VanDerWaalsContact CG-CE1 3.49Å
153L94.8Very high95.5Very high116 Ų11662.2 Ų62.261%0.60734%0.339SS*.G310 helixtrans-63.9-41.6-174.2179.460.8000110.9D155 T156 A207L153-D155 PolarHBondContact O-N 2.96Å; L153-T156 PolarHBondContact O-N 3.04Å; L153-A207 HydrophobicContact CD1-CB 4.05Å
154E95.5Very high95.4Very high148 Ų14862.1 Ų62.169%0.69234%0.338SS*.G310 helixtrans-62.6-24.6176.559.4-93.1-139.400113.9L152L152-E154 VanDerWaalsContact C-N 3.31Å; L152-E154 HydrophobicContact CB-CG 4.24Å; L152-E154 PolarHBondContact O-N 3.33Å
155D95.7Very high95.4Very high99 Ų9963.6 Ų63.653%0.52934%0.342SS..G310 helixtrans-97.8-9.4179.3-59.9-44.3000112.9K151 L152 L153 T157K151-D155 HydrophobicContact CB-CB 4.36Å; K151-D155 WeakPolarHBondContact CD-O 3.15Å; L152-D155 PolarHBondContact O-N 3.35Å; L152-D155 VanDerWaalsContact O-N 3.14Å; L153-D155 PolarHBondContact O-N 2.96Å; D155-T157 PolarHBondContact O-N 3.05Å
156T94.5Very high95.5Very high24 Ų2465.9 Ų65.915%0.14735%0.353CS..  trans-77.8122.1-179.3-57.30000109.1L152 L153 D160 V161L152-T156 PolarHBondContact O-N 3.45Å; L152-T156 PolarHBondContact O-OG1 3.26Å; L153-T156 PolarHBondContact O-N 3.04Å; T156-D160 HydrophobicContact CG2-CB 3.63Å; T156-V161 HydrophobicContact CG2-CG2 3.6Å
157T97.3Very high95.7Very high66 Ų6665.8 Ų65.841%0.40535%0.346SS..  trans-77.8158.7178.667.50000111.3D155 S159 D160 V161D155-T157 PolarHBondContact O-N 3.05Å; T157-S159 PolarHBondContact O-N 3.33Å; T157-D160 PolarHBondContact N-OD2 3.3Å; T157-D160 VanDerWaalsContact N-OD2 3.11Å; T157-D160 WeakPolarHBondContact O-CB 3.29Å; T157-D160 PolarHBondContact O-N 3.37Å; T157-D160 PolarHBondContact OG1-N 2.94Å; T157-D160 VanDerWaalsContact OG1-N 3.16Å; T157-D160 PolarHBondContact OG1-OD2 2.84Å; T157-V161 PolarHBondContact O-N 2.72Å; T157-V161 VanDerWaalsContact O-N 3.08Å
158D98.2Very high95.8Very high131 Ų13164.1 Ų64.170%0.70134%0.336SS*.Hα-helixtrans-54.1-38.2173.6-65.6-16.3000112.1V161 Q162D158-V161 PolarHBondContact O-N 3Å; D158-Q162 WeakPolarHBondContact O-CB 3.4Å; D158-Q162 VanDerWaalsContact O-CG 3.26Å; D158-Q162 WeakPolarHBondContact O-CG 3.41Å; D158-Q162 PolarHBondContact O-N 2.92Å
159S98.1Very high96.2Very high81 Ų8163.1 Ų63.157%0.56633%0.334SS*.Hα-helixtrans-65-39.5176.7-172.70000112.3T157 Q162 K163T157-S159 PolarHBondContact O-N 3.33Å; S159-Q162 PolarHBondContact O-N 3.4Å; S159-K163 WeakPolarHBondContact O-CB 3.36Å; S159-K163 PolarHBondContact O-N 3.27Å
160D96.7Very high96.5Very high26 Ų2663.9 Ų63.914%0.13934%0.336CS..Hα-helixtrans-62.7-43.7175.7-68.2-49.9000111.4T149 K151 T156 T157 T164T149-D160 HydrophobicContact CG2-CB 4.03Å; K151-D160 IonicContact NZ-OD1 2.78Å; K151-D160 IonicContact NZ-OD2 3.3Å; K151-D160 PolarHBondContact NZ-OD2 3.49Å; T156-D160 HydrophobicContact CG2-CB 3.63Å; T157-D160 PolarHBondContact N-OD2 3.3Å; T157-D160 VanDerWaalsContact N-OD2 3.11Å; T157-D160 WeakPolarHBondContact O-CB 3.29Å; T157-D160 PolarHBondContact O-N 3.37Å; T157-D160 PolarHBondContact OG1-N 2.94Å; T157-D160 VanDerWaalsContact OG1-N 3.16Å; T157-D160 PolarHBondContact OG1-OD2 2.84Å; D160-T164 WeakPolarHBondContact O-CB 3.28Å; D160-T164 PolarHBondContact O-N 3.17Å; D160-T164 VanDerWaalsContact O-N 3.09Å; D160-T164 PolarHBondContact O-OG1 2.8Å
161V98Very high96.9Very high55 Ų5562.5 Ų62.533%0.33333%0.328SS..Hα-helixtrans-63-52.7176.6-179.70000110.2T156 T157 D158 K163 T164 I165 A208T156-V161 HydrophobicContact CG2-CG2 3.6Å; T157-V161 PolarHBondContact O-N 2.72Å; T157-V161 VanDerWaalsContact O-N 3.08Å; D158-V161 PolarHBondContact O-N 3Å; V161-K163 PolarHBondContact O-N 2.88Å; V161-T164 PolarHBondContact O-N 3.05Å; V161-I165 HydrophobicContact CG1-CG1 4.39Å; V161-I165 WeakPolarHBondContact O-CG1 3.48Å; V161-I165 PolarHBondContact O-N 2.77Å; V161-A208 HydrophobicContact CG1-CB 4.42Å; V161-A208 HydrophobicContact CG2-CB 4.46Å
162Q98.1Very high97.3Very high118 Ų11859.2 Ų59.255%0.55131%0.314SS*.Hα-helixtrans-59-47-178.8-73.5174.331.300111.5D158 S159 T164 I165 N166D158-Q162 WeakPolarHBondContact O-CB 3.4Å; D158-Q162 VanDerWaalsContact O-CG 3.26Å; D158-Q162 WeakPolarHBondContact O-CG 3.41Å; D158-Q162 PolarHBondContact O-N 2.92Å; S159-Q162 PolarHBondContact O-N 3.4Å; Q162-T164 VanDerWaalsContact C-N 3.33Å; Q162-T164 PolarHBondContact O-N 2.86Å; Q162-I165 PolarHBondContact O-N 3.39Å; Q162-N166 WeakPolarHBondContact O-CB 3.29Å; Q162-N166 PolarHBondContact O-N 3.23Å; Q162-N166 PolarHBondContact O-ND2 3.43Å; Q162-N166 PolarHBondContact O-OD1 3.42Å
163K98Very high97.5Very high119 Ų11960 Ų6052%0.51732%0.315SS..Hα-helixtrans-58-45.6177.4-176.8-179.8178.9178.50111.6V147 S159 V161 V167V147-K163 HydrophobicContact CG2-CG 4.41Å; S159-K163 WeakPolarHBondContact O-CB 3.36Å; S159-K163 PolarHBondContact O-N 3.27Å; V161-K163 PolarHBondContact O-N 2.88Å; K163-V167 WeakPolarHBondContact O-CG2 3.43Å; K163-V167 PolarHBondContact O-N 3.22Å
164T97.5Very high97.7Very high1 Ų156.9 Ų56.91%0.00630%0.296CS..Hα-helixtrans-63.1-47-179.9-57.70000111.6D160 V161 Q162 N168 A208D160-T164 WeakPolarHBondContact O-CB 3.28Å; D160-T164 PolarHBondContact O-N 3.17Å; D160-T164 VanDerWaalsContact O-N 3.09Å; D160-T164 PolarHBondContact O-OG1 2.8Å; V161-T164 PolarHBondContact O-N 3.05Å; Q162-T164 VanDerWaalsContact C-N 3.33Å; Q162-T164 PolarHBondContact O-N 2.86Å; T164-N168 VanDerWaalsContact O-CB 3.22Å; T164-N168 WeakPolarHBondContact O-CB 3.32Å; T164-N168 PolarHBondContact O-N 2.83Å; T164-A208 HydrophobicContact CG2-CB 4.06Å
165I98.5Very high97.9Very high54 Ų5449.8 Ų49.828%0.27726%0.263SS..Iπ-helixtrans-67.5-43.2179.1-63.8-61.3000111.4V161 Q162 V167 T169 L170V161-I165 HydrophobicContact CG1-CG1 4.39Å; V161-I165 WeakPolarHBondContact O-CG1 3.48Å; V161-I165 PolarHBondContact O-N 2.77Å; Q162-I165 PolarHBondContact O-N 3.39Å; I165-V167 PolarHBondContact O-N 2.72Å; I165-T169 WeakPolarHBondContact O-CA 3.35Å; I165-T169 VanDerWaalsContact O-CB 3.24Å; I165-T169 WeakPolarHBondContact O-CB 3.37Å; I165-T169 PolarHBondContact O-N 3.07Å; I165-L170 PolarHBondContact O-N 3.29Å
166N98.5Very high98Very high62 Ų6245.5 Ų45.533%0.33224%0.239SC..Iπ-helixtrans-62.7-44-178.8-71.9-9.8000111.6A117 Q162 L170 G171A117-N166 HydrophobicContact CB-CB 4.05Å; Q162-N166 WeakPolarHBondContact O-CB 3.29Å; Q162-N166 PolarHBondContact O-N 3.23Å; Q162-N166 PolarHBondContact O-ND2 3.43Å; Q162-N166 PolarHBondContact O-OD1 3.42Å; N166-L170 CarbonylContact O-C 3.57Å; N166-L170 WeakPolarHBondContact O-CB 3.25Å; N166-G171 PolarHBondContact O-N 3.33Å
167V98.3Very high98.2Very high24 Ų2451.9 Ų51.915%0.14526%0.261CS..Iπ-helixtrans-79.3-53.8-179.3177.40000111.6V116 V147 K163 I165 G171V116-V167 HydrophobicContact CG2-CG1 4.12Å; V147-V167 HydrophobicContact CG1-CG1 4.17Å; V147-V167 HydrophobicContact CG2-CB 3.97Å; V147-V167 HydrophobicContact CG2-CG1 4.28Å; V147-V167 HydrophobicContact CG2-CG2 4.37Å; K163-V167 WeakPolarHBondContact O-CG2 3.43Å; K163-V167 PolarHBondContact O-N 3.22Å; I165-V167 PolarHBondContact O-N 2.72Å; V167-G171 WeakPolarHBondContact O-CA 3.41Å; V167-G171 PolarHBondContact O-N 3.02Å
168N98.2Very high98.3Very high0 Ų049 Ų490%024%0.244CC..Iπ-helixtrans-76-38.8-169.9-64.83.2000112.6G146 V147 T164 C172 Y209 S212 I216G146-N168 WeakPolarHBondContact CA-OD1 3.35Å; V147-N168 PolarHBondContact N-OD1 3.44Å; V147-N168 PolarHBondContact O-ND2 3.28Å; V147-N168 PolarHBondContact O-OD1 3.25Å; T164-N168 VanDerWaalsContact O-CB 3.22Å; T164-N168 WeakPolarHBondContact O-CB 3.32Å; T164-N168 PolarHBondContact O-N 2.83Å; N168-C172 PolarHBondContact O-SG 3.35Å; N168-Y209 WeakPolarHBondContact ND2-CD2 3.44Å; N168-S212 VanDerWaalsContact CB-OG 3.27Å; N168-S212 WeakPolarHBondContact CB-OG 3.22Å; N168-S212 PolarHBondContact ND2-OG 2.98Å; N168-S212 VanDerWaalsContact ND2-OG 3.1Å; N168-I216 WeakPolarHBondContact O-CG2 3.39Å
169T98.5Very high98.3Very high10 Ų1042.8 Ų42.86%0.06121%0.21CC..Iπ-helixtrans-94.6-64.2-177.3-53.30000110.6I165 G171 C172 F173 S212 A215I165-T169 WeakPolarHBondContact O-CA 3.35Å; I165-T169 VanDerWaalsContact O-CB 3.24Å; I165-T169 WeakPolarHBondContact O-CB 3.37Å; I165-T169 PolarHBondContact O-N 3.07Å; T169-G171 VanDerWaalsContact C-N 3.27Å; T169-G171 PolarHBondContact O-N 3.48Å; T169-C172 WeakPolarHBondContact O-CB 3.33Å; T169-C172 PolarHBondContact O-N 3.4Å; T169-C172 VanDerWaalsContact O-N 3.13Å; T169-F173 HydrophobicContact CG2-CD2 4.03Å; T169-F173 HydrophobicContact CG2-CE2 3.87Å; T169-F173 WeakPolarHBondContact O-CD2 3.38Å; T169-F173 PolarHBondContact O-N 3.23Å; T169-F173 VanDerWaalsContact O-N 3.14Å; T169-S212 VanDerWaalsContact OG1-CA 3.24Å; T169-S212 WeakPolarHBondContact OG1-CA 3.47Å; T169-S212 VanDerWaalsContact OG1-CB 3.28Å; T169-S212 WeakPolarHBondContact OG1-CB 3.16Å; T169-S212 PolarHBondContact OG1-O 2.91Å; T169-A215 HydrophobicContact CG2-CB 3.64Å
170L98.6Very high98.3Very high51 Ų5140.1 Ų40.127%0.26719%0.188SC..Iπ-helixtrans-66.6-33.5-174.5-60.5-176.9000111.4I165 N166 C172 F173 W174I165-L170 PolarHBondContact O-N 3.29Å; N166-L170 CarbonylContact O-C 3.57Å; N166-L170 WeakPolarHBondContact O-CB 3.25Å; L170-C172 VanDerWaalsContact C-N 3.29Å; L170-C172 PolarHBondContact O-N 3.22Å; L170-F173 HydrophobicContact CD2-CD2 4.41Å; L170-F173 CarbonylContact O-C 3.51Å; L170-F173 WeakPolarHBondContact O-CA 3.27Å; L170-F173 WeakPolarHBondContact O-CB 3.38Å; L170-F173 PolarHBondContact O-N 3.24Å; L170-F173 VanDerWaalsContact O-N 3.08Å; L170-W174 HydrophobicContact CB-CZ2 4.18Å; L170-W174 HydrophobicContact CD1-CZ2 4.27Å; L170-W174 HydrophobicContact CD2-CZ2 4.15Å; L170-W174 HydrophobicContact CG-CZ2 4.45Å; L170-W174 WeakPolarHBondContact O-CB 3.49Å; L170-W174 VanDerWaalsContact O-CD1 3.25Å; L170-W174 PolarHBondContact O-N 2.83Å
171G98.7Very high98.3Very high2 Ų242.1 Ų42.12%0.02120%0.202CC..Hα-helixtrans-57.6-39.4172.600000114V116 N166 V167 T169 T175V116-G171 VanDerWaalsContact O-CA 3.26Å; V116-G171 WeakPolarHBondContact O-CA 3.31Å; N166-G171 PolarHBondContact O-N 3.33Å; V167-G171 WeakPolarHBondContact O-CA 3.41Å; V167-G171 PolarHBondContact O-N 3.02Å; T169-G171 VanDerWaalsContact C-N 3.27Å; T169-G171 PolarHBondContact O-N 3.48Å; G171-T175 WeakPolarHBondContact O-CB 3.2Å; G171-T175 PolarHBondContact O-N 3.13Å; G171-T175 PolarHBondContact O-OG1 2.88Å
172C98.3Very high98.3Very high4 Ų441.8 Ų41.83%0.02720%0.196CC..Hα-helixtrans-67-45.2172.5-68.20000111.4N168 T169 L170 W174 T175 I176 I216 L219N168-C172 PolarHBondContact O-SG 3.35Å; T169-C172 WeakPolarHBondContact O-CB 3.33Å; T169-C172 PolarHBondContact O-N 3.4Å; T169-C172 VanDerWaalsContact O-N 3.13Å; L170-C172 VanDerWaalsContact C-N 3.29Å; L170-C172 PolarHBondContact O-N 3.22Å; C172-W174 VanDerWaalsContact C-N 3.35Å; C172-W174 PolarHBondContact O-N 3.28Å; C172-T175 PolarHBondContact O-N 2.97Å; C172-I176 WeakPolarHBondContact O-CB 3.21Å; C172-I176 VanDerWaalsContact O-CG1 3.27Å; C172-I176 WeakPolarHBondContact O-CG1 3.42Å; C172-I176 PolarHBondContact O-N 3.45Å; C172-I216 HydrophobicContact CB-CG2 3.95Å; C172-L219 HydrophobicContact CB-CD2 4.49Å
173F98.6Very high98.3Very high68 Ų6836.2 Ų36.230%0.29817%0.169SC..Hα-helixtrans-56.1-47.9175.2-87.2-80.6000112.1T169 L170 R177 L219T169-F173 HydrophobicContact CG2-CD2 4.03Å; T169-F173 HydrophobicContact CG2-CE2 3.87Å; T169-F173 WeakPolarHBondContact O-CD2 3.38Å; T169-F173 PolarHBondContact O-N 3.23Å; T169-F173 VanDerWaalsContact O-N 3.14Å; L170-F173 HydrophobicContact CD2-CD2 4.41Å; L170-F173 CarbonylContact O-C 3.51Å; L170-F173 WeakPolarHBondContact O-CA 3.27Å; L170-F173 WeakPolarHBondContact O-CB 3.38Å; L170-F173 PolarHBondContact O-N 3.24Å; L170-F173 VanDerWaalsContact O-N 3.08Å; F173-R177 WeakPolarHBondContact O-CB 3.36Å; F173-R177 WeakPolarHBondContact O-CG 3.46Å; F173-R177 PolarHBondContact O-N 3.43Å; F173-L219 HydrophobicContact CD1-CD1 3.93Å; F173-L219 HydrophobicContact CD1-CD2 3.93Å; F173-L219 HydrophobicContact CD2-CD2 3.91Å; F173-L219 HydrophobicContact CE1-CD1 3.43Å; F173-L219 VanDerWaalsContact CE1-CD1 3.43Å; F173-L219 HydrophobicContact CE1-CD2 3.97Å; F173-L219 HydrophobicContact CE1-CG 4.19Å; F173-L219 HydrophobicContact CE2-CB 4.47Å; F173-L219 HydrophobicContact CE2-CD2 3.92Å; F173-L219 HydrophobicContact CG-CD2 3.91Å; F173-L219 HydrophobicContact CZ-CB 4.14Å; F173-L219 HydrophobicContact CZ-CD1 3.82Å; F173-L219 HydrophobicContact CZ-CD2 3.95Å; F173-L219 HydrophobicContact CZ-CG 4.18Å
174W98.7Very high98.2Very high51 Ų5133.1 Ų33.119%0.19316%0.158CC..Hα-helixtrans-68.4-41.5-176.8-56.5156.6000111.8V116 A117 P119 M122 L170 C172 A178V116-W174 VanDerWaalsContact O-CD1 3.23Å; A117-W174 PolarHBondContact O-NE1 3.41Å; P119-W174 HydrophobicContact CB-CB 4.46Å; P119-W174 HydrophobicContact CB-CD2 3.69Å; P119-W174 HydrophobicContact CB-CE3 4.14Å; P119-W174 HydrophobicContact CB-CG 3.82Å; P119-W174 HydrophobicContact CB-CZ2 4.44Å; M122-W174 HydrophobicContact CB-CB 4.18Å; M122-W174 HydrophobicContact CG-CB 4.06Å; L170-W174 HydrophobicContact CB-CZ2 4.18Å; L170-W174 HydrophobicContact CD1-CZ2 4.27Å; L170-W174 HydrophobicContact CD2-CZ2 4.15Å; L170-W174 HydrophobicContact CG-CZ2 4.45Å; L170-W174 WeakPolarHBondContact O-CB 3.49Å; L170-W174 VanDerWaalsContact O-CD1 3.25Å; L170-W174 PolarHBondContact O-N 2.83Å; C172-W174 VanDerWaalsContact C-N 3.35Å; C172-W174 PolarHBondContact O-N 3.28Å; W174-A178 WeakPolarHBondContact O-CB 3.08Å; W174-A178 PolarHBondContact O-N 2.83Å
175T98.7Very high98.1Very high0 Ų039.8 Ų39.80%019%0.189CC..Hα-helixtrans-61.2-52.4174.6-54.10000111.1T64 M122 I141 G171 C172 R177 A178 F179T64-T175 HydrophobicContact CG2-CG2 3.75Å; M122-T175 HydrophobicContact CE-CG2 3.99Å; I141-T175 HydrophobicContact CG2-CG2 3.68Å; G171-T175 WeakPolarHBondContact O-CB 3.2Å; G171-T175 PolarHBondContact O-N 3.13Å; G171-T175 PolarHBondContact O-OG1 2.88Å; C172-T175 PolarHBondContact O-N 2.97Å; T175-R177 PolarHBondContact O-N 3.21Å; T175-A178 PolarHBondContact O-N 2.89Å; T175-F179 HydrophobicContact CG2-CD2 4.24Å; T175-F179 HydrophobicContact CG2-CE2 4.41Å; T175-F179 WeakPolarHBondContact O-CD2 3.38Å; T175-F179 PolarHBondContact O-N 3.32Å
176I98.6Very high97.9Very high8 Ų841.3 Ų41.34%0.04119%0.192CC..Hα-helixtrans-61.1-48.3-179.7-68.2167.4000110.3C172 A178 F179 Y180 L191 V193 L219 M220 L223C172-I176 WeakPolarHBondContact O-CB 3.21Å; C172-I176 VanDerWaalsContact O-CG1 3.27Å; C172-I176 WeakPolarHBondContact O-CG1 3.42Å; C172-I176 PolarHBondContact O-N 3.45Å; I176-A178 PolarHBondContact O-N 2.91Å; I176-F179 PolarHBondContact O-N 3.41Å; I176-Y180 WeakPolarHBondContact O-CB 3.4Å; I176-Y180 PolarHBondContact O-N 2.66Å; I176-L191 HydrophobicContact CG1-CD2 4.37Å; I176-L191 HydrophobicContact CG2-CD1 4.05Å; I176-L191 HydrophobicContact CG2-CD2 4.48Å; I176-V193 HydrophobicContact CD1-CG2 4.02Å; I176-L219 HydrophobicContact CD1-CD2 3.95Å; I176-L219 HydrophobicContact CD1-CG 4.46Å; I176-M220 HydrophobicContact CD1-SD 3.85Å; I176-L223 HydrophobicContact CG2-CD2 3.77Å
177R98.2Very high97.8Very high159 Ų15939.5 Ų39.560%0.619%0.187SC*.Hα-helixtrans-64.8-25.9-179.5-73.5-174.567.7-165.5-0.5113.8F173 T175 P181F173-R177 WeakPolarHBondContact O-CB 3.36Å; F173-R177 WeakPolarHBondContact O-CG 3.46Å; F173-R177 PolarHBondContact O-N 3.43Å; T175-R177 PolarHBondContact O-N 3.21Å; R177-P181 VanDerWaalsContact O-CD 3.26Å; R177-P181 WeakPolarHBondContact O-CD 3.38Å
178A98.6Very high97.7Very high5 Ų540.4 Ų40.44%0.04120%0.195CC..Hα-helixtrans-75.3-35.5177.300000112.3M122 A126 W174 T175 I176 Y182M122-A178 HydrophobicContact CB-CB 4.32Å; M122-A178 WeakPolarHBondContact O-CB 3.37Å; A126-A178 HydrophobicContact CB-CB 3.63Å; W174-A178 WeakPolarHBondContact O-CB 3.08Å; W174-A178 PolarHBondContact O-N 2.83Å; T175-A178 PolarHBondContact O-N 2.89Å; I176-A178 PolarHBondContact O-N 2.91Å; A178-Y182 VanDerWaalsContact O-CE2 3.26Å; A178-Y182 WeakPolarHBondContact O-CE2 3.48Å
179F98.5Very high97.7Very high0 Ų040.9 Ų40.90%020%0.199CC..Hα-helixtrans-103.2-31.6-175.8-70.6-75.4000115.1L88 M122 A126 I129 P138 I141 T175 I176 Y182 M183L88-F179 HydrophobicContact CD1-CE2 4.35Å; L88-F179 HydrophobicContact CD1-CZ 4.49Å; M122-F179 HydrophobicContact CE-CE2 4.33Å; A126-F179 HydrophobicContact CB-CD1 3.82Å; A126-F179 HydrophobicContact CB-CD2 4.2Å; A126-F179 HydrophobicContact CB-CE1 3.54Å; A126-F179 HydrophobicContact CB-CE2 3.94Å; A126-F179 HydrophobicContact CB-CG 4.14Å; A126-F179 HydrophobicContact CB-CZ 3.61Å; I129-F179 HydrophobicContact CB-CE1 4.43Å; I129-F179 HydrophobicContact CD1-CE1 4.47Å; I129-F179 HydrophobicContact CD1-CZ 3.96Å; I129-F179 HydrophobicContact CG2-CE1 4.34Å; P138-F179 HydrophobicContact CG-CD1 3.9Å; P138-F179 HydrophobicContact CG-CE1 3.67Å; P138-F179 HydrophobicContact CG-CZ 4.47Å; I141-F179 HydrophobicContact CD1-CB 3.95Å; I141-F179 HydrophobicContact CD1-CD1 3.83Å; I141-F179 HydrophobicContact CD1-CD2 3.62Å; I141-F179 HydrophobicContact CD1-CE1 4.18Å; I141-F179 HydrophobicContact CD1-CE2 4.01Å; I141-F179 HydrophobicContact CD1-CG 3.52Å; I141-F179 HydrophobicContact CD1-CZ 4.26Å; I141-F179 HydrophobicContact CG1-CB 3.89Å; I141-F179 HydrophobicContact CG1-CD2 4.18Å; I141-F179 HydrophobicContact CG1-CG 4.01Å; T175-F179 HydrophobicContact CG2-CD2 4.24Å; T175-F179 HydrophobicContact CG2-CE2 4.41Å; T175-F179 WeakPolarHBondContact O-CD2 3.38Å; T175-F179 PolarHBondContact O-N 3.32Å; I176-F179 PolarHBondContact O-N 3.41Å; F179-Y182 WeakPolarHBondContact O-CB 3.21Å; F179-Y182 PolarHBondContact O-N 2.78Å; F179-M183 PolarHBondContact O-N 2.97Å; F179-M183 VanDerWaalsContact O-N 3.13Å
180Y97.9Very high97.7Very high26 Ų2640.4 Ų40.410%0.10220%0.196CC..Hα-helixtrans-56.4-41.8-174.9177.7-120.6000113.8I176 Y182 M183 L184 L191 L223 I227 L236I176-Y180 WeakPolarHBondContact O-CB 3.4Å; I176-Y180 PolarHBondContact O-N 2.66Å; Y180-Y182 VanDerWaalsContact C-N 3.25Å; Y180-Y182 PolarHBondContact O-N 2.77Å; Y180-M183 PolarHBondContact O-N 3.34Å; Y180-M183 VanDerWaalsContact O-N 3.15Å; Y180-L184 WeakPolarHBondContact O-CB 3.42Å; Y180-L184 PolarHBondContact O-N 2.91Å; Y180-L191 HydrophobicContact CD2-CD1 3.76Å; Y180-L191 HydrophobicContact CE2-CD1 4.44Å; Y180-L191 HydrophobicContact CG-CD1 4.36Å; Y180-L223 HydrophobicContact CD1-CD1 4.4Å; Y180-L223 HydrophobicContact CE1-CD1 3.9Å; Y180-L223 HydrophobicContact CE2-CD1 4.26Å; Y180-I227 HydrophobicContact CE2-CD1 4.06Å; Y180-I227 HydrophobicContact CE2-CG1 4.09Å; Y180-I227 WeakPolarHBondContact OH-CG1 3.41Å; Y180-L236 HydrophobicContact CE2-CD1 4.18Å
181P97.3Very high97.7Very high67 Ų6738.1 Ų38.144%0.43519%0.185SC..Hα-helixtrans-58.1-36.8175.9-2636.2000113.4R177 L184 E185R177-P181 VanDerWaalsContact O-CD 3.26Å; R177-P181 WeakPolarHBondContact O-CD 3.38Å; P181-L184 PolarHBondContact O-N 3.22Å; P181-E185 WeakPolarHBondContact O-CB 3.38Å; P181-E185 PolarHBondContact O-N 3.3Å
182Y97.5Very high97.8Very high49 Ų4938.1 Ų38.119%0.19218%0.184CC..Hα-helixtrans-72.4-37.3177.7-53.8-41.9000112A126 R130 A178 F179 Y180 L184 R186A126-Y182 HydrophobicContact CB-CE2 4.14Å; R130-Y182 VanDerWaalsContact NH1-CD1 3.33Å; A178-Y182 VanDerWaalsContact O-CE2 3.26Å; A178-Y182 WeakPolarHBondContact O-CE2 3.48Å; F179-Y182 WeakPolarHBondContact O-CB 3.21Å; F179-Y182 PolarHBondContact O-N 2.78Å; Y180-Y182 VanDerWaalsContact C-N 3.25Å; Y180-Y182 PolarHBondContact O-N 2.77Å; Y182-L184 VanDerWaalsContact C-N 3.35Å; Y182-R186 VanDerWaalsContact O-CB 3.32Å; Y182-R186 WeakPolarHBondContact O-CB 3.16Å; Y182-R186 PolarHBondContact O-N 3.32Å
183M98.1Very high97.8Very high0 Ų037.9 Ų37.90%018%0.183CC..Hα-helixtrans-65.5-39.9173.6-69-177.9155.700111.7P138 I141 F179 Y180 R186 G187 S188 L191 L236P138-M183 WeakPolarHBondContact O-CE 3.49Å; I141-M183 HydrophobicContact CD1-CE 4.45Å; I141-M183 HydrophobicContact CG1-CE 3.6Å; I141-M183 HydrophobicContact CG1-SD 4.47Å; F179-M183 PolarHBondContact O-N 2.97Å; F179-M183 VanDerWaalsContact O-N 3.13Å; Y180-M183 PolarHBondContact O-N 3.34Å; Y180-M183 VanDerWaalsContact O-N 3.15Å; M183-R186 PolarHBondContact O-N 2.95Å; M183-G187 PolarHBondContact O-N 3.38Å; M183-S188 PolarHBondContact O-N 2.97Å; M183-S188 VanDerWaalsContact O-N 3.09Å; M183-L191 HydrophobicContact SD-CD2 3.85Å; M183-L191 HydrophobicContact SD-CG 4.05Å; M183-L236 HydrophobicContact CB-CD2 3.79Å
184L95.8Very high97.7Very high55 Ų5535.3 Ų35.329%0.28817%0.172SC..Hα-helixtrans-65.3-45.4176.6-173.566.1000111.4Y180 P181 Y182 R186 G187 Q232 L236Y180-L184 WeakPolarHBondContact O-CB 3.42Å; Y180-L184 PolarHBondContact O-N 2.91Å; P181-L184 PolarHBondContact O-N 3.22Å; Y182-L184 VanDerWaalsContact C-N 3.35Å; L184-R186 VanDerWaalsContact C-N 3.34Å; L184-R186 PolarHBondContact O-N 3.42Å; L184-G187 PolarHBondContact O-N 3.33Å; L184-G187 VanDerWaalsContact O-N 3.11Å; L184-Q232 HydrophobicContact CD1-CG 4.48Å; L184-L236 HydrophobicContact CD1-CD1 3.69Å
185E95.4Very high97.6Very high140 Ų14033 Ų3365%0.65416%0.164SC*.Hα-helixtrans-60-43.2174.2-175.7-174.1-177.800111.6R130 P181 G187R130-E185 IonicContact CZ-OE2 2.84Å; R130-E185 IonicContact NH1-OE2 2.94Å; R130-E185 IonicContact NH2-OE1 3.75Å; R130-E185 IonicContact NH2-OE2 3.85Å; R130-E185 PolarHBondContact NH2-OE2 3.09Å; P181-E185 WeakPolarHBondContact O-CB 3.38Å; P181-E185 PolarHBondContact O-N 3.3Å; E185-G187 PolarHBondContact O-N 3.45Å
186R95.5Very high97.3Very high87 Ų8733.6 Ų33.633%0.32817%0.168SC..Hα-helixtrans-70.7-17.6176.6-170.2177.763.8-169.9-12.9112.9C137 P138 D139 Y182 M183 L184 S188C137-R186 PolarHBondContact O-NH1 3.14Å; P138-R186 PolarHBondContact O-NH2 3.13Å; D139-R186 IonicContact OD1-NH1 3.02Å; Y182-R186 VanDerWaalsContact O-CB 3.32Å; Y182-R186 WeakPolarHBondContact O-CB 3.16Å; Y182-R186 PolarHBondContact O-N 3.32Å; M183-R186 PolarHBondContact O-N 2.95Å; L184-R186 VanDerWaalsContact C-N 3.34Å; L184-R186 PolarHBondContact O-N 3.42Å; R186-S188 VanDerWaalsContact C-N 3.26Å; R186-S188 PolarHBondContact NE-O 2.82Å; R186-S188 VanDerWaalsContact NE-O 3.17Å; R186-S188 PolarHBondContact NE-OG 2.95Å; R186-S188 VanDerWaalsContact NE-OG 3.13Å; R186-S188 PolarHBondContact NH2-O 3Å; R186-S188 PolarHBondContact O-N 2.75Å
187G95.3Very high96.9Very high23 Ų2333.3 Ų33.324%0.23717%0.167CC..THydrogen-bonded Turntrans61.831.9-172.700000112.8M183 L184 E185 H235M183-G187 PolarHBondContact O-N 3.38Å; L184-G187 PolarHBondContact O-N 3.33Å; L184-G187 VanDerWaalsContact O-N 3.11Å; E185-G187 PolarHBondContact O-N 3.45Å; G187-H235 WeakPolarHBondContact O-CB 3.17Å
188S97.5Very high96.5Very high44 Ų4426 Ų2631%0.30814%0.14SC..  trans-164.2144.7173.5540000112.8M183 R186 H235M183-S188 PolarHBondContact O-N 2.97Å; M183-S188 VanDerWaalsContact O-N 3.09Å; R186-S188 VanDerWaalsContact C-N 3.26Å; R186-S188 PolarHBondContact NE-O 2.82Å; R186-S188 VanDerWaalsContact NE-O 3.17Å; R186-S188 PolarHBondContact NE-OG 2.95Å; R186-S188 VanDerWaalsContact NE-OG 3.13Å; R186-S188 PolarHBondContact NH2-O 3Å; R186-S188 PolarHBondContact O-N 2.75Å; S188-H235 WeakPolarHBondContact CA-O 3.35Å
189G98.1Very high96.1Very high9 Ų925.7 Ų25.79%0.09314%0.138CC..EExtended strand (participates in β ladder)trans165.6163.2177.300000113.3D139 H235 L236 K237D139-G189 CarbonylContact O-C 3.57Å; D139-G189 WeakPolarHBondContact O-CA 3.47Å; G189-H235 PolarHBondContact N-O 3.1Å; G189-H235 VanDerWaalsContact N-O 3.09Å; G189-L236 WeakPolarHBondContact O-CA 3.22Å; G189-K237 PolarHBondContact O-N 3.04Å
190H98.7Very high95.5Very high0 Ų026.7 Ų26.70%014%0.143CC..EExtended strand (participates in β ladder)trans-132.7112.2175.5-169.3175.8000110K54 D139 V140 I141 V192 K237 T239K54-H190 PolarHBondContact NZ-ND1 3.41Å; D139-H190 PolarHBondContact O-N 3.25Å; V140-H190 CarbonylContact C-O 3.57Å; V140-H190 VanDerWaalsContact CA-O 3.28Å; V140-H190 WeakPolarHBondContact CA-O 3.38Å; V140-H190 HydrophobicContact CG1-CB 4.39Å; V140-H190 HydrophobicContact CG2-CB 4.15Å; I141-H190 PolarHBondContact N-O 2.78Å; H190-V192 WeakPolarHBondContact NE2-CG2 3.37Å; H190-K237 CarbonylContact C-O 3.55Å; H190-K237 WeakPolarHBondContact CA-O 3.34Å; H190-K237 HydrophobicContact CB-CB 4.29Å; H190-K237 PolarHBondContact CD2-O 3.33Å; H190-T239 PolarHBondContact CE1-OG1 3.13Å; H190-T239 WeakPolarHBondContact NE2-CB 3.47Å; H190-T239 PolarHBondContact NE2-OG1 2.95Å
191L98.7Very high94.9Very high4 Ų426.8 Ų26.82%0.02114%0.143CC..EExtended strand (participates in β ladder)trans-94.1123.4175.4-65.4166.8000110I141 I176 Y180 M183 M220 L223 K237 V238 T239I141-L191 HydrophobicContact CB-CD2 4.03Å; I141-L191 HydrophobicContact CG1-CD2 4.18Å; I176-L191 HydrophobicContact CG1-CD2 4.37Å; I176-L191 HydrophobicContact CG2-CD1 4.05Å; I176-L191 HydrophobicContact CG2-CD2 4.48Å; Y180-L191 HydrophobicContact CD2-CD1 3.76Å; Y180-L191 HydrophobicContact CE2-CD1 4.44Å; Y180-L191 HydrophobicContact CG-CD1 4.36Å; M183-L191 HydrophobicContact SD-CD2 3.85Å; M183-L191 HydrophobicContact SD-CG 4.05Å; L191-M220 HydrophobicContact CB-CE 4.48Å; L191-L223 HydrophobicContact CD1-CD2 3.58Å; L191-K237 PolarHBondContact N-O 3.4Å; L191-V238 HydrophobicContact CB-CG1 4.34Å; L191-V238 CarbonylContact O-C 3.59Å; L191-V238 VanDerWaalsContact O-CA 3.25Å; L191-V238 WeakPolarHBondContact O-CA 3.46Å; L191-T239 PolarHBondContact O-N 3.38Å
192V98.8Very high94.2Very high1 Ų126 Ų261%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-126.8132.7-177.2-172.50000109.9V140 I141 L142 C143 H190 T239 I241 I277V140-V192 HydrophobicContact CG1-CG2 4.17Å; I141-V192 PolarHBondContact O-N 3.2Å; L142-V192 CarbonylContact C-O 3.59Å; L142-V192 WeakPolarHBondContact CA-O 3.33Å; L142-V192 HydrophobicContact CD1-CB 3.83Å; L142-V192 HydrophobicContact CD1-CG1 3.53Å; C143-V192 PolarHBondContact N-O 3.14Å; H190-V192 WeakPolarHBondContact NE2-CG2 3.37Å; V192-T239 VanDerWaalsContact CA-O 3.29Å; V192-T239 WeakPolarHBondContact CA-O 3.48Å; V192-T239 HydrophobicContact CG1-CG2 3.95Å; V192-I241 HydrophobicContact CG1-CD1 4.43Å; V192-I241 HydrophobicContact CG1-CG1 4Å; V192-I277 HydrophobicContact CG1-CG1 4.33Å; V192-I277 HydrophobicContact CG2-CG1 3.94Å
193V98.6Very high93.5Very high0 Ų025.3 Ų25.30%015%0.148CC..EExtended strand (participates in β ladder)trans-124132.5178.2178.20000110C143 I176 S195 I216 M220 T239 I241C143-V193 HydrophobicContact CB-CB 4.43Å; C143-V193 HydrophobicContact CB-CG1 4.38Å; C143-V193 HydrophobicContact CB-CG2 3.98Å; I176-V193 HydrophobicContact CD1-CG2 4.02Å; V193-S195 PolarHBondContact O-N 2.86Å; V193-I216 HydrophobicContact CG1-CB 4.26Å; V193-I216 HydrophobicContact CG1-CD1 3.72Å; V193-I216 HydrophobicContact CG1-CG1 4.37Å; V193-M220 HydrophobicContact CB-CE 4.42Å; V193-M220 HydrophobicContact CB-CG 4.05Å; V193-M220 HydrophobicContact CB-SD 4.17Å; V193-M220 HydrophobicContact CG2-CE 3.93Å; V193-M220 HydrophobicContact CG2-CG 3.84Å; V193-M220 HydrophobicContact CG2-SD 3.37Å; V193-M220 WeakPolarHBondContact CG2-SD 3.27Å; V193-T239 PolarHBondContact N-O 3.23Å; V193-I241 PolarHBondContact O-N 3.11Å
194V97.8Very high92.9Very high13 Ų1327.1 Ų27.18%0.07916%0.16CC..EExtended strand (participates in β ladder)trans-86.896.4170-172.20000108.9L142 C143 A144 K213 P243 I273L142-V194 HydrophobicContact CD1-CG2 3.76Å; C143-V194 PolarHBondContact O-N 3.08Å; A144-V194 HydrophobicContact CB-CB 4.46Å; A144-V194 HydrophobicContact CB-CG2 3.82Å; V194-K213 PolarHBondContact O-NZ 3.36Å; V194-P243 HydrophobicContact CG1-CG 3.9Å; V194-I273 HydrophobicContact CG2-CD1 4.23Å
195S95.4Very high92.6Very high3 Ų328.6 Ų28.62%0.02116%0.163CC..  trans-79.3-134.3169.4-1690000110.7V193 K213 I241V193-S195 PolarHBondContact O-N 2.86Å; S195-K213 PolarHBondContact OG-O 3.41Å; S195-K213 VanDerWaalsContact OG-O 3.09Å; S195-I241 CarbonylContact C-O 3.54Å; S195-I241 VanDerWaalsContact CA-O 3.27Å; S195-I241 WeakPolarHBondContact CA-O 3.43Å; S195-I241 WeakPolarHBondContact CB-O 3.4Å; S195-I241 PolarHBondContact N-O 2.86Å
196S93.6Very high92.5Very high12 Ų1222.1 Ų22.18%0.08413%0.133CC..  trans-170.1160.6175.9176.80000107.6A198 G199 Y242 P243S196-A198 PolarHBondContact O-N 2.98Å; S196-A198 VanDerWaalsContact O-N 3.11Å; S196-A198 WeakPolarHBondContact OG-CB 3.31Å; S196-A198 PolarHBondContact OG-N 3.04Å; S196-A198 VanDerWaalsContact OG-N 3.08Å; S196-G199 WeakPolarHBondContact O-CA 3.35Å; S196-G199 PolarHBondContact O-N 3.26Å; S196-Y242 WeakPolarHBondContact O-CD1 3.18Å; S196-P243 CarbonylContact C-O 3.43Å; S196-P243 WeakPolarHBondContact CA-O 3.28Å; S196-P243 PolarHBondContact OG-O 2.74Å
197M90.5Very high92.4Very high2 Ų220.1 Ų20.11%0.0114%0.135CC..G310 helixtrans-55.2-23.1162-67.9-55.6-58.100112.7G199 H200 F201 P243 F244 F285 S290 I293M197-G199 PolarHBondContact O-N 3.26Å; M197-G199 VanDerWaalsContact O-N 3.11Å; M197-H200 PolarHBondContact O-N 3.38Å; M197-F201 HydrophobicContact CB-CE1 3.97Å; M197-F201 HydrophobicContact CB-CZ 3.96Å; M197-F201 HydrophobicContact CE-CE1 3.68Å; M197-F201 PolarHBondContact O-N 2.98Å; M197-P243 PolarHBondContact N-O 2.62Å; M197-F244 HydrophobicContact CB-CD2 3.68Å; M197-F244 HydrophobicContact CB-CE2 4.46Å; M197-F244 HydrophobicContact CG-CB 3.79Å; M197-F244 HydrophobicContact CG-CD2 3.65Å; M197-F244 HydrophobicContact CG-CG 4.2Å; M197-F285 HydrophobicContact CE-CD1 4.16Å; M197-F285 HydrophobicContact CE-CE1 4.35Å; M197-F285 HydrophobicContact SD-CD1 3.52Å; M197-F285 VanDerWaalsContact SD-CD1 3.52Å; M197-F285 HydrophobicContact SD-CE1 4.04Å; M197-S290 VanDerWaalsContact CE-O 3.28Å; M197-S290 WeakPolarHBondContact CE-O 3.3Å; M197-S290 PolarHBondContact SD-OG 2.97Å; M197-I293 HydrophobicContact CE-CB 4.49Å; M197-I293 HydrophobicContact CE-CD1 3.97Å
198A89.5Confident92.5Very high5 Ų519.9 Ų19.94%0.04113%0.131CC..G310 helixtrans-62.8-9.8169.100000114.1S196 F201 Y209 S210 K213 F214S196-A198 PolarHBondContact O-N 2.98Å; S196-A198 VanDerWaalsContact O-N 3.11Å; S196-A198 WeakPolarHBondContact OG-CB 3.31Å; S196-A198 PolarHBondContact OG-N 3.04Å; S196-A198 VanDerWaalsContact OG-N 3.08Å; A198-F201 CarbonylContact C-O 3.51Å; A198-F201 VanDerWaalsContact CA-O 3.3Å; A198-F201 WeakPolarHBondContact CA-O 3.21Å; A198-Y209 HydrophobicContact CB-CD1 3.84Å; A198-Y209 HydrophobicContact CB-CE1 3.73Å; A198-S210 WeakPolarHBondContact O-CA 3.33Å; A198-K213 HydrophobicContact CB-CB 4.46Å; A198-F214 WeakPolarHBondContact O-CD2 3.35Å; A198-F214 WeakPolarHBondContact O-CE2 3.18Å
199G89.9Confident92.4Very high0 Ų019.2 Ų19.20%012%0.122CC..G310 helixtrans-86.3-6.6169.900000114.6S196 M197 F214S196-G199 WeakPolarHBondContact O-CA 3.35Å; S196-G199 PolarHBondContact O-N 3.26Å; M197-G199 PolarHBondContact O-N 3.26Å; M197-G199 VanDerWaalsContact O-N 3.11Å; G199-F214 VanDerWaalsContact C-CE2 3.47Å; G199-F214 WeakPolarHBondContact O-CD1 3.41Å; G199-F214 WeakPolarHBondContact O-CD2 3.25Å; G199-F214 WeakPolarHBondContact O-CG 3.49Å
200H86.5Confident92.2Very high21 Ų2119.1 Ų19.110%0.09712%0.12CC..THydrogen-bonded Turntrans-109.3-27173.2-74.9-94.1000112.7M197 F214 R217 Y242 F285M197-H200 PolarHBondContact O-N 3.38Å; H200-F214 VanDerWaalsContact O-CZ 3.3Å; H200-F214 WeakPolarHBondContact O-CZ 3.29Å; H200-R217 PolarHBondContact CE1-NH1 2.94Å; H200-R217 VanDerWaalsContact CE1-NH1 3.26Å; H200-R217 PolarHBondContact ND1-NH1 3.33Å; H200-Y242 AromaticContact CD2-CD1 3.65Å; H200-Y242 AromaticContact CD2-CE1 3.81Å; H200-Y242 AromaticContact NE2-CD1 3.54Å; H200-Y242 AromaticContact NE2-CD2 3.86Å; H200-Y242 AromaticContact NE2-CE1 3.36Å; H200-Y242 WeakPolarHBondContact NE2-CE1 3.26Å; H200-Y242 AromaticContact NE2-CE2 3.69Å; H200-Y242 AromaticContact NE2-CG 3.77Å; H200-Y242 AromaticContact NE2-CZ 3.41Å; H200-F285 AromaticContact CD2-CE1 3.88Å; H200-F285 AromaticContact CE1-CE1 3.84Å; H200-F285 AromaticContact CE1-CZ 3.73Å; H200-F285 AromaticContact NE2-CE1 3.47Å; H200-F285 WeakPolarHBondContact NE2-CE1 3.36Å; H200-F285 AromaticContact NE2-CZ 3.64Å
201F83.6Confident92.2Very high27 Ų2721.7 Ų21.712%0.11814%0.141CC..SBendtrans-150.1146.5174.855.6-91.1000111.7M197 A198 N203 F244 I293M197-F201 HydrophobicContact CB-CE1 3.97Å; M197-F201 HydrophobicContact CB-CZ 3.96Å; M197-F201 HydrophobicContact CE-CE1 3.68Å; M197-F201 PolarHBondContact O-N 2.98Å; A198-F201 CarbonylContact C-O 3.51Å; A198-F201 VanDerWaalsContact CA-O 3.3Å; A198-F201 WeakPolarHBondContact CA-O 3.21Å; F201-N203 WeakPolarHBondContact CE2-OD1 3.42Å; F201-F244 HydrophobicContact CZ-CD2 4.45Å; F201-F244 AromaticContact CZ-CE2 3.94Å; F201-F244 HydrophobicContact CZ-CE2 3.94Å; F201-I293 HydrophobicContact CD1-CG2 3.87Å; F201-I293 HydrophobicContact CE1-CD1 4.11Å; F201-I293 HydrophobicContact CE1-CG2 3.97Å
202G84.2Confident92.1Very high52 Ų5221.5 Ų21.554%0.53614%0.14SC..  trans-79.8141.3175.500000112.4
203N82.6Confident92.1Very high33 Ų3321.9 Ų21.918%0.17614%0.141CC..  trans-112.8154.5172.4-77.8-28.3000111.8F201 S206 S210 Y311F201-N203 WeakPolarHBondContact CE2-OD1 3.42Å; N203-S206 WeakPolarHBondContact CB-OG 3.38Å; N203-S206 PolarHBondContact N-OG 2.98Å; N203-S206 PolarHBondContact O-N 3.38Å; N203-S206 PolarHBondContact O-OG 3.13Å; N203-S210 PolarHBondContact N-OG 2.81Å; N203-Y311 WeakPolarHBondContact CB-OH 3.45Å; N203-Y311 PolarHBondContact ND2-OH 2.86Å
204S85.5Confident92Very high38 Ų3826.1 Ų26.127%0.26616%0.16SC..THydrogen-bonded Turntrans-56.3152.6167.6-64.60000110.3S206 R304S204-S206 PolarHBondContact O-N 3.01Å; S204-S206 VanDerWaalsContact O-N 3.17Å; S204-R304 PolarHBondContact OG-NH1 3.14Å; S204-R304 PolarHBondContact OG-NH2 3.46Å
205Y89.7Confident92Very high86 Ų8627.4 Ų27.434%0.33717%0.172SC..THydrogen-bonded Turntrans62.614-178.4-51.9-89.2000116W148 K151 L152 Y311W148-Y205 PolarHBondContact NE1-O 2.95Å; K151-Y205 PolarHBondContact N-O 2.89Å; K151-Y205 CarbonylContact O-C 3.38Å; K151-Y205 WeakPolarHBondContact O-CA 3.49Å; L152-Y205 HydrophobicContact CD1-CE1 4.22Å; L152-Y205 HydrophobicContact CD2-CD1 3.87Å; L152-Y205 HydrophobicContact CD2-CE1 3.55Å; L152-Y205 HydrophobicContact CD2-CE2 4.25Å; L152-Y205 HydrophobicContact CD2-CG 4.35Å; L152-Y205 HydrophobicContact CG-CD1 3.9Å; L152-Y205 HydrophobicContact CG-CE1 3.49Å; L152-Y205 VanDerWaalsContact CG-CE1 3.49Å; Y205-Y311 AromaticContact CD2-CD1 3.93Å; Y205-Y311 HydrophobicContact CD2-CD1 3.93Å; Y205-Y311 HydrophobicContact CD2-CD2 4.12Å; Y205-Y311 AromaticContact CD2-CG 3.64Å; Y205-Y311 HydrophobicContact CD2-CG 3.64Å; Y205-Y311 HydrophobicContact CE2-CG 4.13Å; Y205-Y311 HydrophobicContact CG-CD1 4.39Å
206S91.7Very high92.1Very high4 Ų427.3 Ų27.33%0.02817%0.171CC..  trans-142.628-172.174.20000113.2N203 S204 A208 Y209 S210N203-S206 WeakPolarHBondContact CB-OG 3.38Å; N203-S206 PolarHBondContact N-OG 2.98Å; N203-S206 PolarHBondContact O-N 3.38Å; N203-S206 PolarHBondContact O-OG 3.13Å; S204-S206 PolarHBondContact O-N 3.01Å; S204-S206 VanDerWaalsContact O-N 3.17Å; S206-A208 PolarHBondContact O-N 2.89Å; S206-Y209 PolarHBondContact O-N 3.5Å; S206-S210 VanDerWaalsContact O-CB 3.3Å; S206-S210 WeakPolarHBondContact O-CB 3.27Å; S206-S210 PolarHBondContact O-N 3.4Å; S206-S210 PolarHBondContact O-OG 3.26Å; S206-S210 PolarHBondContact OG-OG 2.88Å
207A94.9Very high92.2Very high46 Ų4628.6 Ų28.638%0.3817%0.174SC..Hα-helixtrans-56.3-56.1-17300000112.7L153 Y209 A211L153-A207 HydrophobicContact CD1-CB 4.05Å; A207-Y209 VanDerWaalsContact C-N 3.34Å; A207-Y209 PolarHBondContact O-N 3.4Å; A207-A211 WeakPolarHBondContact O-CB 3.36Å; A207-A211 PolarHBondContact O-N 3.32Å
208A95.9Very high92.5Very high17 Ų1730 Ų3014%0.1419%0.189CC..Hα-helixtrans-65-37.4177.400000112.3V161 T164 S206 S212V161-A208 HydrophobicContact CG1-CB 4.42Å; V161-A208 HydrophobicContact CG2-CB 4.46Å; T164-A208 HydrophobicContact CG2-CB 4.06Å; S206-A208 PolarHBondContact O-N 2.89Å; A208-S212 WeakPolarHBondContact O-CB 3.35Å; A208-S212 PolarHBondContact O-N 3.06Å
209Y95.5Very high92.9Very high31 Ų3131 Ų3112%0.12219%0.193CC..Hα-helixtrans-64.3-51.6178-177.8-93.4000111.6V147 W148 N168 A198 S206 A207 A211 S212 K213V147-Y209 WeakPolarHBondContact O-CD2 3.47Å; W148-Y209 HydrophobicContact CB-CD2 3.65Å; W148-Y209 HydrophobicContact CB-CE2 3.88Å; W148-Y209 HydrophobicContact CB-CG 4.38Å; W148-Y209 AromaticContact CD1-CD2 3.81Å; W148-Y209 AromaticContact CD1-CG 3.68Å; W148-Y209 AromaticContact CG-CD2 3.76Å; W148-Y209 HydrophobicContact CG-CD2 3.76Å; W148-Y209 HydrophobicContact CG-CE2 4.21Å; W148-Y209 HydrophobicContact CG-CG 4Å; N168-Y209 WeakPolarHBondContact ND2-CD2 3.44Å; A198-Y209 HydrophobicContact CB-CD1 3.84Å; A198-Y209 HydrophobicContact CB-CE1 3.73Å; S206-Y209 PolarHBondContact O-N 3.5Å; A207-Y209 VanDerWaalsContact C-N 3.34Å; A207-Y209 PolarHBondContact O-N 3.4Å; Y209-A211 PolarHBondContact O-N 3.02Å; Y209-S212 WeakPolarHBondContact O-CB 3.38Å; Y209-S212 PolarHBondContact O-N 3.47Å; Y209-S212 VanDerWaalsContact O-N 3.11Å; Y209-S212 PolarHBondContact O-OG 2.92Å; Y209-K213 HydrophobicContact CD1-CG 4.09Å; Y209-K213 HydrophobicContact CE1-CG 3.72Å; Y209-K213 HydrophobicContact CE2-CG 4.41Å; Y209-K213 WeakPolarHBondContact O-CG 3.32Å; Y209-K213 PolarHBondContact O-N 2.73Å; Y209-K213 WeakPolarHBondContact OH-CE 3.49Å
210S95.2Very high93.3Very high7 Ų731 Ų315%0.04919%0.194CC..Hα-helixtrans-57.9-48.7176.6-58.90000110.2A198 N203 S206 S212 K213 F214A198-S210 WeakPolarHBondContact O-CA 3.33Å; N203-S210 PolarHBondContact N-OG 2.81Å; S206-S210 VanDerWaalsContact O-CB 3.3Å; S206-S210 WeakPolarHBondContact O-CB 3.27Å; S206-S210 PolarHBondContact O-N 3.4Å; S206-S210 PolarHBondContact O-OG 3.26Å; S206-S210 PolarHBondContact OG-OG 2.88Å; S210-S212 VanDerWaalsContact C-N 3.27Å; S210-S212 PolarHBondContact O-N 2.93Å; S210-K213 PolarHBondContact O-N 3.34Å; S210-F214 WeakPolarHBondContact O-CD2 3.32Å; S210-F214 PolarHBondContact O-N 3Å
211A97.4Very high93.7Very high54 Ų5433.1 Ų33.145%0.44620%0.203SC..Hα-helixtrans-54.6-43.8175.600000112.1A207 Y209 K213 A215A207-A211 WeakPolarHBondContact O-CB 3.36Å; A207-A211 PolarHBondContact O-N 3.32Å; Y209-A211 PolarHBondContact O-N 3.02Å; A211-K213 PolarHBondContact O-N 3.35Å; A211-A215 WeakPolarHBondContact O-CB 3.14Å; A211-A215 PolarHBondContact O-N 2.81Å
212S98Very high94.4Very high0 Ų035 Ų350%022%0.22CC..Hα-helixtrans-63.6-38.9176.477.30000113.3N168 T169 A208 Y209 S210 A215 I216N168-S212 VanDerWaalsContact CB-OG 3.27Å; N168-S212 WeakPolarHBondContact CB-OG 3.22Å; N168-S212 PolarHBondContact ND2-OG 2.98Å; N168-S212 VanDerWaalsContact ND2-OG 3.1Å; T169-S212 VanDerWaalsContact OG1-CA 3.24Å; T169-S212 WeakPolarHBondContact OG1-CA 3.47Å; T169-S212 VanDerWaalsContact OG1-CB 3.28Å; T169-S212 WeakPolarHBondContact OG1-CB 3.16Å; T169-S212 PolarHBondContact OG1-O 2.91Å; A208-S212 WeakPolarHBondContact O-CB 3.35Å; A208-S212 PolarHBondContact O-N 3.06Å; Y209-S212 WeakPolarHBondContact O-CB 3.38Å; Y209-S212 PolarHBondContact O-N 3.47Å; Y209-S212 VanDerWaalsContact O-N 3.11Å; Y209-S212 PolarHBondContact O-OG 2.92Å; S210-S212 VanDerWaalsContact C-N 3.27Å; S210-S212 PolarHBondContact O-N 2.93Å; S212-A215 PolarHBondContact O-N 3.31Å; S212-I216 PolarHBondContact O-N 3.11Å
213K97.2Very high95Very high9 Ų933.1 Ų33.14%0.03920%0.198CC..Hα-helixtrans-75.1-31.5-178.7-65.4-56.7-170.4179.50113V194 S195 A198 Y209 S210 A211 I216 R217V194-K213 PolarHBondContact O-NZ 3.36Å; S195-K213 PolarHBondContact OG-O 3.41Å; S195-K213 VanDerWaalsContact OG-O 3.09Å; A198-K213 HydrophobicContact CB-CB 4.46Å; Y209-K213 HydrophobicContact CD1-CG 4.09Å; Y209-K213 HydrophobicContact CE1-CG 3.72Å; Y209-K213 HydrophobicContact CE2-CG 4.41Å; Y209-K213 WeakPolarHBondContact O-CG 3.32Å; Y209-K213 PolarHBondContact O-N 2.73Å; Y209-K213 WeakPolarHBondContact OH-CE 3.49Å; S210-K213 PolarHBondContact O-N 3.34Å; A211-K213 PolarHBondContact O-N 3.35Å; K213-I216 HydrophobicContact CD-CD1 3.62Å; K213-I216 HydrophobicContact CD-CG1 4.47Å; K213-I216 WeakPolarHBondContact O-CG1 3.42Å; K213-R217 PolarHBondContact O-N 2.9Å
214F97Very high95.6Very high88 Ų8834.4 Ų34.439%0.38620%0.203SC..Hα-helixtrans-65.8-43.1167.3-89.4-102.5000111.5A198 G199 H200 S210 I216 R217 G218A198-F214 WeakPolarHBondContact O-CD2 3.35Å; A198-F214 WeakPolarHBondContact O-CE2 3.18Å; G199-F214 VanDerWaalsContact C-CE2 3.47Å; G199-F214 WeakPolarHBondContact O-CD1 3.41Å; G199-F214 WeakPolarHBondContact O-CD2 3.25Å; G199-F214 WeakPolarHBondContact O-CG 3.49Å; H200-F214 VanDerWaalsContact O-CZ 3.3Å; H200-F214 WeakPolarHBondContact O-CZ 3.29Å; S210-F214 WeakPolarHBondContact O-CD2 3.32Å; S210-F214 PolarHBondContact O-N 3Å; F214-I216 VanDerWaalsContact C-N 3.34Å; F214-I216 PolarHBondContact O-N 3.09Å; F214-R217 WeakPolarHBondContact O-CB 3.4Å; F214-R217 PolarHBondContact O-N 2.74Å; F214-G218 PolarHBondContact O-N 3.2Å
215A98.3Very high96Very high40 Ų4039.7 Ų39.733%0.33122%0.217SC..Hα-helixtrans-60.5-42.5-178.700000112.3T169 A211 S212 G218 L219T169-A215 HydrophobicContact CG2-CB 3.64Å; A211-A215 WeakPolarHBondContact O-CB 3.14Å; A211-A215 PolarHBondContact O-N 2.81Å; S212-A215 PolarHBondContact O-N 3.31Å; A215-G218 PolarHBondContact O-N 3.4Å; A215-L219 PolarHBondContact O-N 3.34Å
216I97.3Very high96.3Very high1 Ų140.4 Ų40.41%0.00522%0.223CC..Hα-helixtrans-71.8-28.9177.762.6176.2000113.3N168 C172 V193 S212 K213 F214 L219 M220N168-I216 WeakPolarHBondContact O-CG2 3.39Å; C172-I216 HydrophobicContact CB-CG2 3.95Å; V193-I216 HydrophobicContact CG1-CB 4.26Å; V193-I216 HydrophobicContact CG1-CD1 3.72Å; V193-I216 HydrophobicContact CG1-CG1 4.37Å; S212-I216 PolarHBondContact O-N 3.11Å; K213-I216 HydrophobicContact CD-CD1 3.62Å; K213-I216 HydrophobicContact CD-CG1 4.47Å; K213-I216 WeakPolarHBondContact O-CG1 3.42Å; F214-I216 VanDerWaalsContact C-N 3.34Å; F214-I216 PolarHBondContact O-N 3.09Å; I216-L219 PolarHBondContact O-N 3.46Å; I216-M220 VanDerWaalsContact O-CG 3.31Å; I216-M220 WeakPolarHBondContact O-CG 3.47Å; I216-M220 PolarHBondContact O-N 3.4Å
217R95.9Very high96.5Very high39 Ų3940.4 Ų40.415%0.14722%0.223CC..Hα-helixtrans-61.4-51.7170.2171.6174.5174.9-157.10.2109.8H200 K213 F214 L219 M220 E221 Y242 E294H200-R217 PolarHBondContact CE1-NH1 2.94Å; H200-R217 VanDerWaalsContact CE1-NH1 3.26Å; H200-R217 PolarHBondContact ND1-NH1 3.33Å; K213-R217 PolarHBondContact O-N 2.9Å; F214-R217 WeakPolarHBondContact O-CB 3.4Å; F214-R217 PolarHBondContact O-N 2.74Å; R217-L219 VanDerWaalsContact C-N 3.29Å; R217-L219 PolarHBondContact O-N 3.34Å; R217-M220 PolarHBondContact O-N 3.2Å; R217-M220 VanDerWaalsContact O-N 3.13Å; R217-E221 HydrophobicContact CG-CG 4.46Å; R217-E221 WeakPolarHBondContact CG-OE1 3.41Å; R217-E221 IonicContact CZ-OE1 3.95Å; R217-E221 IonicContact NE-OE1 2.77Å; R217-E221 PolarHBondContact NE-OE1 3.21Å; R217-E221 IonicContact NH2-OE1 4Å; R217-E221 PolarHBondContact NH2-OE1 3.01Å; R217-E221 PolarHBondContact O-N 2.88Å; R217-Y242 HydrophobicContact CB-CE1 4.35Å; R217-Y242 HydrophobicContact CG-CE1 4.36Å; R217-Y242 WeakPolarHBondContact CG-OH 3.16Å; R217-E294 IonicContact NH1-OE1 3.99Å; R217-E294 PolarHBondContact NH1-OE1 3Å; R217-E294 IonicContact NH2-OE1 3.32Å
218G96.7Very high96.3Very high31 Ų3143.7 Ų43.732%0.3223%0.229SC..Hα-helixtrans-60.1-37.1177.300000113.5F214 A215 S222F214-G218 PolarHBondContact O-N 3.2Å; A215-G218 PolarHBondContact O-N 3.4Å; G218-S222 WeakPolarHBondContact O-CB 3.36Å; G218-S222 PolarHBondContact O-N 3.1Å; G218-S222 PolarHBondContact O-OG 3.03Å
219L98.1Very high96.1Very high26 Ų2649 Ų4914%0.13626%0.255CS..Hα-helixtrans-59.4-51.2172169.857.7000111.6C172 F173 I176 A215 I216 R217 S222 L223C172-L219 HydrophobicContact CB-CD2 4.49Å; F173-L219 HydrophobicContact CD1-CD1 3.93Å; F173-L219 HydrophobicContact CD1-CD2 3.93Å; F173-L219 HydrophobicContact CD2-CD2 3.91Å; F173-L219 HydrophobicContact CE1-CD1 3.43Å; F173-L219 VanDerWaalsContact CE1-CD1 3.43Å; F173-L219 HydrophobicContact CE1-CD2 3.97Å; F173-L219 HydrophobicContact CE1-CG 4.19Å; F173-L219 HydrophobicContact CE2-CB 4.47Å; F173-L219 HydrophobicContact CE2-CD2 3.92Å; F173-L219 HydrophobicContact CG-CD2 3.91Å; F173-L219 HydrophobicContact CZ-CB 4.14Å; F173-L219 HydrophobicContact CZ-CD1 3.82Å; F173-L219 HydrophobicContact CZ-CD2 3.95Å; F173-L219 HydrophobicContact CZ-CG 4.18Å; I176-L219 HydrophobicContact CD1-CD2 3.95Å; I176-L219 HydrophobicContact CD1-CG 4.46Å; A215-L219 PolarHBondContact O-N 3.34Å; I216-L219 PolarHBondContact O-N 3.46Å; R217-L219 VanDerWaalsContact C-N 3.29Å; R217-L219 PolarHBondContact O-N 3.34Å; L219-S222 PolarHBondContact O-N 3.07Å; L219-L223 WeakPolarHBondContact O-CB 3.35Å; L219-L223 PolarHBondContact O-N 3.47Å
220M98Very high96Very high2 Ų254.7 Ų54.71%0.0128%0.276CS..Hα-helixtrans-67.2-42.9-176-70.3-58.5-7300112.3I176 L191 V193 I216 R217 S222 L223 E224 V238 T240I176-M220 HydrophobicContact CD1-SD 3.85Å; L191-M220 HydrophobicContact CB-CE 4.48Å; V193-M220 HydrophobicContact CB-CE 4.42Å; V193-M220 HydrophobicContact CB-CG 4.05Å; V193-M220 HydrophobicContact CB-SD 4.17Å; V193-M220 HydrophobicContact CG2-CE 3.93Å; V193-M220 HydrophobicContact CG2-CG 3.84Å; V193-M220 HydrophobicContact CG2-SD 3.37Å; V193-M220 WeakPolarHBondContact CG2-SD 3.27Å; I216-M220 VanDerWaalsContact O-CG 3.31Å; I216-M220 WeakPolarHBondContact O-CG 3.47Å; I216-M220 PolarHBondContact O-N 3.4Å; R217-M220 PolarHBondContact O-N 3.2Å; R217-M220 VanDerWaalsContact O-N 3.13Å; M220-S222 PolarHBondContact O-N 3.05Å; M220-L223 PolarHBondContact O-N 3.33Å; M220-E224 PolarHBondContact O-N 2.8Å; M220-V238 HydrophobicContact CE-CB 3.78Å; M220-V238 HydrophobicContact CE-CG1 4.16Å; M220-T240 WeakPolarHBondContact CB-OG1 3.24Å
221E95.6Very high95.9Very high64 Ų6457.1 Ų57.130%0.29930%0.302SS..Hα-helixtrans-60.4-45174.5-71.5-179.6-163.100111.1R217 L223 E224 W225R217-E221 HydrophobicContact CG-CG 4.46Å; R217-E221 WeakPolarHBondContact CG-OE1 3.41Å; R217-E221 IonicContact CZ-OE1 3.95Å; R217-E221 IonicContact NE-OE1 2.77Å; R217-E221 PolarHBondContact NE-OE1 3.21Å; R217-E221 IonicContact NH2-OE1 4Å; R217-E221 PolarHBondContact NH2-OE1 3.01Å; R217-E221 PolarHBondContact O-N 2.88Å; E221-L223 VanDerWaalsContact C-N 3.35Å; E221-L223 PolarHBondContact O-N 2.82Å; E221-E224 WeakPolarHBondContact O-CB 3.33Å; E221-E224 PolarHBondContact O-N 3.48Å; E221-W225 PolarHBondContact O-N 2.86Å
222S97.3Very high95.7Very high67 Ų6757.1 Ų57.147%0.46929%0.293SS..Hα-helixtrans-62.8-42.9178.4-57.90000111.7G218 L219 M220 E224 W225 E226G218-S222 WeakPolarHBondContact O-CB 3.36Å; G218-S222 PolarHBondContact O-N 3.1Å; G218-S222 PolarHBondContact O-OG 3.03Å; L219-S222 PolarHBondContact O-N 3.07Å; M220-S222 PolarHBondContact O-N 3.05Å; S222-E224 VanDerWaalsContact C-N 3.34Å; S222-E224 PolarHBondContact O-N 3.38Å; S222-W225 PolarHBondContact O-N 3.25Å; S222-E226 PolarHBondContact O-N 2.94Å
223L96.8Very high95.4Very high12 Ų1259 Ų596%0.06331%0.306CS..Hα-helixtrans-66.9-34.8179.4-177.259.6000112.4I176 Y180 L191 L219 M220 E221 W225 E226 I227 V238I176-L223 HydrophobicContact CG2-CD2 3.77Å; Y180-L223 HydrophobicContact CD1-CD1 4.4Å; Y180-L223 HydrophobicContact CE1-CD1 3.9Å; Y180-L223 HydrophobicContact CE2-CD1 4.26Å; L191-L223 HydrophobicContact CD1-CD2 3.58Å; L219-L223 WeakPolarHBondContact O-CB 3.35Å; L219-L223 PolarHBondContact O-N 3.47Å; M220-L223 PolarHBondContact O-N 3.33Å; E221-L223 VanDerWaalsContact C-N 3.35Å; E221-L223 PolarHBondContact O-N 2.82Å; L223-W225 VanDerWaalsContact C-N 3.34Å; L223-E226 PolarHBondContact O-N 3.39Å; L223-I227 HydrophobicContact CD1-CD1 4.39Å; L223-I227 HydrophobicContact CG-CD1 4.09Å; L223-I227 WeakPolarHBondContact O-CG1 3.38Å; L223-I227 PolarHBondContact O-N 3.43Å; L223-V238 HydrophobicContact CD2-CG1 4.45Å; L223-V238 HydrophobicContact CG-CG1 4.44Å
224E95.2Very high95.1Very high61 Ų6164.9 Ų64.929%0.28534%0.338SS..Hα-helixtrans-56.6-49.7172.8-168172.1-171.500111.3M220 E221 S222 E226 I227 F228 V238 T282M220-E224 PolarHBondContact O-N 2.8Å; E221-E224 WeakPolarHBondContact O-CB 3.33Å; E221-E224 PolarHBondContact O-N 3.48Å; S222-E224 VanDerWaalsContact C-N 3.34Å; S222-E224 PolarHBondContact O-N 3.38Å; E224-E226 PolarHBondContact O-N 2.98Å; E224-I227 WeakPolarHBondContact O-CB 3.46Å; E224-I227 PolarHBondContact O-N 2.88Å; E224-F228 WeakPolarHBondContact O-CB 3.48Å; E224-F228 PolarHBondContact O-N 3.47Å; E224-V238 HydrophobicContact CB-CG2 3.64Å; E224-V238 HydrophobicContact CG-CG2 3.6Å; E224-T282 WeakPolarHBondContact OE1-CG2 3.34Å; E224-T282 WeakPolarHBondContact OE2-CG2 3.27Å
225W93.8Very high95Very high149 Ų14965.7 Ų65.756%0.56434%0.343SS*.Hα-helixtrans-66.1-37.4179.2-67117.5000112.3E221 S222 L223 I227 F228 D229E221-W225 PolarHBondContact O-N 2.86Å; S222-W225 PolarHBondContact O-N 3.25Å; L223-W225 VanDerWaalsContact C-N 3.34Å; W225-I227 VanDerWaalsContact C-N 3.31Å; W225-I227 PolarHBondContact O-N 3.47Å; W225-F228 HydrophobicContact CE3-CB 4.27Å; W225-F228 HydrophobicContact CE3-CD1 4.09Å; W225-F228 HydrophobicContact CE3-CG 4.24Å; W225-F228 HydrophobicContact CZ3-CD1 4.23Å; W225-F228 HydrophobicContact CZ3-CG 4.36Å; W225-F228 PolarHBondContact O-N 3.03Å; W225-D229 WeakPolarHBondContact O-CB 3.32Å; W225-D229 PolarHBondContact O-N 3.25Å
226E96Very high94.9Very high100 Ų10064.1 Ų64.147%0.46733%0.329SS..Hα-helixtrans-61.5-38.9172.5-73.9-173.4-149.100112.7S222 L223 E224 R230S222-E226 PolarHBondContact O-N 2.94Å; L223-E226 PolarHBondContact O-N 3.39Å; E224-E226 PolarHBondContact O-N 2.98Å; E226-R230 WeakPolarHBondContact O-CD 3.48Å; E226-R230 VanDerWaalsContact O-CG 3.22Å; E226-R230 WeakPolarHBondContact O-CG 3.45Å; E226-R230 PolarHBondContact O-N 2.97Å
227I95.5Very high94.9Very high4 Ų466.7 Ų66.72%0.02134%0.34CS..Hα-helixtrans-68.2-41.2175.8-72.5165.3000110.6Y180 L223 E224 W225 R230 G231 Q232 L236 V238Y180-I227 HydrophobicContact CE2-CD1 4.06Å; Y180-I227 HydrophobicContact CE2-CG1 4.09Å; Y180-I227 WeakPolarHBondContact OH-CG1 3.41Å; L223-I227 HydrophobicContact CD1-CD1 4.39Å; L223-I227 HydrophobicContact CG-CD1 4.09Å; L223-I227 WeakPolarHBondContact O-CG1 3.38Å; L223-I227 PolarHBondContact O-N 3.43Å; E224-I227 WeakPolarHBondContact O-CB 3.46Å; E224-I227 PolarHBondContact O-N 2.88Å; W225-I227 VanDerWaalsContact C-N 3.31Å; W225-I227 PolarHBondContact O-N 3.47Å; I227-R230 PolarHBondContact O-N 3.39Å; I227-G231 PolarHBondContact O-N 3.24Å; I227-Q232 HydrophobicContact CG2-CB 4.02Å; I227-Q232 PolarHBondContact O-N 2.95Å; I227-L236 HydrophobicContact CD1-CB 4.16Å; I227-L236 HydrophobicContact CG1-CB 4.38Å; I227-L236 HydrophobicContact CG2-CB 3.76Å; I227-V238 HydrophobicContact CD1-CG1 3.68Å
228F91.9Very high95Very high115 Ų11565.4 Ų65.450%0.50434%0.336SS..Hα-helixtrans-61.9-49.3176.7177.8-93.4000112.3E224 W225 R230 G231 S233E224-F228 WeakPolarHBondContact O-CB 3.48Å; E224-F228 PolarHBondContact O-N 3.47Å; W225-F228 HydrophobicContact CE3-CB 4.27Å; W225-F228 HydrophobicContact CE3-CD1 4.09Å; W225-F228 HydrophobicContact CE3-CG 4.24Å; W225-F228 HydrophobicContact CZ3-CD1 4.23Å; W225-F228 HydrophobicContact CZ3-CG 4.36Å; W225-F228 PolarHBondContact O-N 3.03Å; F228-R230 PolarHBondContact O-N 3.32Å; F228-R230 VanDerWaalsContact O-N 3.16Å; F228-G231 WeakPolarHBondContact O-CA 3.38Å; F228-G231 PolarHBondContact O-N 2.91Å; F228-S233 VanDerWaalsContact CA-OG 3.28Å; F228-S233 WeakPolarHBondContact CA-OG 3.22Å
229D92.1Very high95.1Very high130 Ų13063.9 Ų63.970%0.69532%0.321SS*.Hα-helixtrans-63.9-23180-74.1-13.8000112.5W225 G231W225-D229 WeakPolarHBondContact O-CB 3.32Å; W225-D229 PolarHBondContact O-N 3.25Å; D229-G231 VanDerWaalsContact C-N 3.32Å
230R93.4Very high95.1Very high150 Ų15063 Ų6357%0.56632%0.316SS*.THydrogen-bonded Turntrans-83-4.3172.6-71.5172.5179.7-81.5-1.6113.8E226 I227 F228 Q232E226-R230 WeakPolarHBondContact O-CD 3.48Å; E226-R230 VanDerWaalsContact O-CG 3.22Å; E226-R230 WeakPolarHBondContact O-CG 3.45Å; E226-R230 PolarHBondContact O-N 2.97Å; I227-R230 PolarHBondContact O-N 3.39Å; F228-R230 PolarHBondContact O-N 3.32Å; F228-R230 VanDerWaalsContact O-N 3.16Å; R230-Q232 VanDerWaalsContact C-N 3.27Å; R230-Q232 HydrophobicContact CB-CB 4.49Å; R230-Q232 HydrophobicContact CB-CG 4.01Å; R230-Q232 PolarHBondContact O-N 3.4Å
231G92.4Very high95.1Very high58 Ų5862.9 Ų62.960%0.59832%0.316SS*.THydrogen-bonded Turntrans6628.5-17500000113.2I227 F228 D229I227-G231 PolarHBondContact O-N 3.24Å; F228-G231 WeakPolarHBondContact O-CA 3.38Å; F228-G231 PolarHBondContact O-N 2.91Å; D229-G231 VanDerWaalsContact C-N 3.32Å
232Q93.8Very high95Very high53 Ų5359.8 Ų59.825%0.24830%0.302CS..  trans-105.53.4-175.4-68.7-70.3-43.400113.5L184 I227 R230 D234 H235 L236L184-Q232 HydrophobicContact CD1-CG 4.48Å; I227-Q232 HydrophobicContact CG2-CB 4.02Å; I227-Q232 PolarHBondContact O-N 2.95Å; R230-Q232 VanDerWaalsContact C-N 3.27Å; R230-Q232 HydrophobicContact CB-CB 4.49Å; R230-Q232 HydrophobicContact CB-CG 4.01Å; R230-Q232 PolarHBondContact O-N 3.4Å; Q232-D234 PolarHBondContact O-N 3Å; Q232-H235 PolarHBondContact O-N 3.42Å; Q232-L236 HydrophobicContact CB-CB 4.44Å; Q232-L236 HydrophobicContact CB-CD1 3.93Å; Q232-L236 HydrophobicContact CB-CG 4.43Å; Q232-L236 HydrophobicContact CG-CD1 4.36Å; Q232-L236 PolarHBondContact O-N 2.92Å
233S91.1Very high94.9Very high40 Ų4057 Ų5728%0.2828%0.282SS..THydrogen-bonded Turntrans-58-22.5-176.9-61.50000114.5F228 H235 K237F228-S233 VanDerWaalsContact CA-OG 3.28Å; F228-S233 WeakPolarHBondContact CA-OG 3.22Å; S233-H235 VanDerWaalsContact C-N 3.29Å; S233-H235 PolarHBondContact O-N 3.19Å; S233-K237 WeakPolarHBondContact O-CE 3.27Å; S233-K237 PolarHBondContact O-NZ 3.08Å
234D91.3Very high94.5Very high132 Ų13257.4 Ų57.471%0.70628%0.283SS*.THydrogen-bonded Turntrans-74.5-19.7176.5-70.6-23.3000113.1Q232Q232-D234 PolarHBondContact O-N 3Å
235H94.2Very high94.1Very high106 Ų10655.2 Ų55.249%0.49127%0.273SS..THydrogen-bonded Turntrans-125.5-30.1-171.7-48.5-52.1000114.4G187 S188 G189 Q232 S233G187-H235 WeakPolarHBondContact O-CB 3.17Å; S188-H235 WeakPolarHBondContact CA-O 3.35Å; G189-H235 PolarHBondContact N-O 3.1Å; G189-H235 VanDerWaalsContact N-O 3.09Å; Q232-H235 PolarHBondContact O-N 3.42Å; S233-H235 VanDerWaalsContact C-N 3.29Å; S233-H235 PolarHBondContact O-N 3.19Å
236L97.1Very high93.8Very high6 Ų648.7 Ų48.73%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-105.3118.6173.9-69.4171.3000108.7Y180 M183 L184 G189 I227 Q232Y180-L236 HydrophobicContact CE2-CD1 4.18Å; M183-L236 HydrophobicContact CB-CD2 3.79Å; L184-L236 HydrophobicContact CD1-CD1 3.69Å; G189-L236 WeakPolarHBondContact O-CA 3.22Å; I227-L236 HydrophobicContact CD1-CB 4.16Å; I227-L236 HydrophobicContact CG1-CB 4.38Å; I227-L236 HydrophobicContact CG2-CB 3.76Å; Q232-L236 HydrophobicContact CB-CB 4.44Å; Q232-L236 HydrophobicContact CB-CD1 3.93Å; Q232-L236 HydrophobicContact CB-CG 4.43Å; Q232-L236 HydrophobicContact CG-CD1 4.36Å; Q232-L236 PolarHBondContact O-N 2.92Å
237K97.2Very high93.4Very high56 Ų5649.1 Ų49.124%0.24325%0.252CS..EExtended strand (participates in β ladder)trans-111.1148.8-179.6-54-60.4-177176.90110.1G189 H190 L191 S233 E280G189-K237 PolarHBondContact O-N 3.04Å; H190-K237 CarbonylContact C-O 3.55Å; H190-K237 WeakPolarHBondContact CA-O 3.34Å; H190-K237 HydrophobicContact CB-CB 4.29Å; H190-K237 PolarHBondContact CD2-O 3.33Å; L191-K237 PolarHBondContact N-O 3.4Å; S233-K237 WeakPolarHBondContact O-CE 3.27Å; S233-K237 PolarHBondContact O-NZ 3.08Å; K237-E280 VanDerWaalsContact CE-OE2 3.31Å; K237-E280 WeakPolarHBondContact CE-OE2 3.25Å; K237-E280 HydrophobicContact CG-CB 4.43Å
238V97.7Very high93Very high11 Ų1149.8 Ų49.87%0.06726%0.256CS..EExtended strand (participates in β ladder)trans-125.2145.3170.6-66.80000109.1L191 M220 L223 E224 I227L191-V238 HydrophobicContact CB-CG1 4.34Å; L191-V238 CarbonylContact O-C 3.59Å; L191-V238 VanDerWaalsContact O-CA 3.25Å; L191-V238 WeakPolarHBondContact O-CA 3.46Å; M220-V238 HydrophobicContact CE-CB 3.78Å; M220-V238 HydrophobicContact CE-CG1 4.16Å; L223-V238 HydrophobicContact CD2-CG1 4.45Å; L223-V238 HydrophobicContact CG-CG1 4.44Å; E224-V238 HydrophobicContact CB-CG2 3.64Å; E224-V238 HydrophobicContact CG-CG2 3.6Å; I227-V238 HydrophobicContact CD1-CG1 3.68Å
239T98.1Very high92.6Very high0 Ų048.1 Ų48.10%025%0.252CS..EExtended strand (participates in β ladder)trans-141129.9174.4-69.80000110.5H190 L191 V192 V193 I241 A276 K281 T282H190-T239 PolarHBondContact CE1-OG1 3.13Å; H190-T239 WeakPolarHBondContact NE2-CB 3.47Å; H190-T239 PolarHBondContact NE2-OG1 2.95Å; L191-T239 PolarHBondContact O-N 3.38Å; V192-T239 VanDerWaalsContact CA-O 3.29Å; V192-T239 WeakPolarHBondContact CA-O 3.48Å; V192-T239 HydrophobicContact CG1-CG2 3.95Å; V193-T239 PolarHBondContact N-O 3.23Å; T239-I241 HydrophobicContact CG2-CD1 3.43Å; T239-I241 VanDerWaalsContact CG2-CD1 3.43Å; T239-I241 HydrophobicContact CG2-CG1 4.18Å; T239-A276 HydrophobicContact CG2-CB 4.32Å; T239-K281 WeakPolarHBondContact CB-O 3.46Å; T239-K281 WeakPolarHBondContact CG2-O 3.46Å; T239-K281 PolarHBondContact OG1-O 3.18Å; T239-T282 CarbonylContact C-O 3.58Å; T239-T282 VanDerWaalsContact CA-O 3.29Å; T239-T282 WeakPolarHBondContact CA-O 3.49Å
240T98.2Very high92.1Very high6 Ų644.4 Ų44.44%0.03723%0.232CC..EExtended strand (participates in β ladder)trans-110.2122.2172-48.60000109.8M220 Y242 T282 E283 V284M220-T240 WeakPolarHBondContact CB-OG1 3.24Å; T240-Y242 HydrophobicContact CG2-CD1 4.26Å; T240-Y242 HydrophobicContact CG2-CE1 3.49Å; T240-Y242 VanDerWaalsContact CG2-CE1 3.49Å; T240-Y242 HydrophobicContact CG2-CE2 3.88Å; T240-Y242 WeakPolarHBondContact CG2-OH 3.28Å; T240-T282 PolarHBondContact N-O 3.28Å; T240-E283 WeakPolarHBondContact O-CA 3.24Å; T240-V284 PolarHBondContact O-N 3.2Å
241I97.8Very high91.5Very high0 Ų038.5 Ų38.50%021%0.212CC..EExtended strand (participates in β ladder)trans-99.3133.6177.8-48.1-64.2000109.1V192 V193 S195 T239 P243 I273 A276 V284 I286V192-I241 HydrophobicContact CG1-CD1 4.43Å; V192-I241 HydrophobicContact CG1-CG1 4Å; V193-I241 PolarHBondContact O-N 3.11Å; S195-I241 CarbonylContact C-O 3.54Å; S195-I241 VanDerWaalsContact CA-O 3.27Å; S195-I241 WeakPolarHBondContact CA-O 3.43Å; S195-I241 WeakPolarHBondContact CB-O 3.4Å; S195-I241 PolarHBondContact N-O 2.86Å; T239-I241 HydrophobicContact CG2-CD1 3.43Å; T239-I241 VanDerWaalsContact CG2-CD1 3.43Å; T239-I241 HydrophobicContact CG2-CG1 4.18Å; I241-P243 HydrophobicContact CG2-CG 3.93Å; I241-P243 WeakPolarHBondContact O-CD 3.29Å; I241-I273 HydrophobicContact CD1-CG1 4.46Å; I241-I273 HydrophobicContact CG1-CG1 4.16Å; I241-I273 HydrophobicContact CG2-CD1 4.32Å; I241-I273 HydrophobicContact CG2-CG1 3.79Å; I241-A276 HydrophobicContact CD1-CB 3.51Å; I241-V284 CarbonylContact C-O 3.58Å; I241-V284 WeakPolarHBondContact CA-O 3.43Å; I241-V284 HydrophobicContact CD1-CB 3.89Å; I241-V284 HydrophobicContact CD1-CG2 4.28Å; I241-I286 HydrophobicContact CG2-CD1 3.36Å; I241-I286 HydrophobicContact CG2-CG1 4.12Å
242Y95.4Very high90.8Very high0 Ų041.7 Ų41.70%022%0.215CC..EExtended strand (participates in β ladder)trans-120.578.7177.9-52.6-78.3000111S196 H200 R217 T240 E283 V284 F285 I286S196-Y242 WeakPolarHBondContact O-CD1 3.18Å; H200-Y242 AromaticContact CD2-CD1 3.65Å; H200-Y242 AromaticContact CD2-CE1 3.81Å; H200-Y242 AromaticContact NE2-CD1 3.54Å; H200-Y242 AromaticContact NE2-CD2 3.86Å; H200-Y242 AromaticContact NE2-CE1 3.36Å; H200-Y242 WeakPolarHBondContact NE2-CE1 3.26Å; H200-Y242 AromaticContact NE2-CE2 3.69Å; H200-Y242 AromaticContact NE2-CG 3.77Å; H200-Y242 AromaticContact NE2-CZ 3.41Å; R217-Y242 HydrophobicContact CB-CE1 4.35Å; R217-Y242 HydrophobicContact CG-CE1 4.36Å; R217-Y242 WeakPolarHBondContact CG-OH 3.16Å; T240-Y242 HydrophobicContact CG2-CD1 4.26Å; T240-Y242 HydrophobicContact CG2-CE1 3.49Å; T240-Y242 VanDerWaalsContact CG2-CE1 3.49Å; T240-Y242 HydrophobicContact CG2-CE2 3.88Å; T240-Y242 WeakPolarHBondContact CG2-OH 3.28Å; Y242-E283 HydrophobicContact CE2-CB 4.08Å; Y242-E283 HydrophobicContact CE2-CG 4.12Å; Y242-E283 WeakPolarHBondContact CE2-OE1 3.49Å; Y242-E283 PolarHBondContact OH-OE1 3.3Å; Y242-V284 PolarHBondContact N-O 2.78Å; Y242-F285 HydrophobicContact CD2-CD1 4.16Å; Y242-F285 AromaticContact CD2-CE1 3.85Å; Y242-F285 HydrophobicContact CD2-CE1 3.85Å; Y242-F285 HydrophobicContact CD2-CE2 4.31Å; Y242-F285 AromaticContact CD2-CZ 3.93Å; Y242-F285 HydrophobicContact CD2-CZ 3.93Å; Y242-F285 HydrophobicContact CE2-CE1 4.48Å; Y242-F285 HydrophobicContact CE2-CZ 4.19Å; Y242-F285 HydrophobicContact CG-CD1 4.34Å; Y242-F285 HydrophobicContact CG-CE1 4.13Å; Y242-I286 PolarHBondContact O-N 2.8Å
243P93.9Very high89.7Confident8 Ų843.3 Ų43.35%0.05223%0.232CC..EExtended strand (participates in β ladder)trans-68.4143.8171.4-14.631000111.1V194 S196 M197 I241 T269 I286V194-P243 HydrophobicContact CG1-CG 3.9Å; S196-P243 CarbonylContact C-O 3.43Å; S196-P243 WeakPolarHBondContact CA-O 3.28Å; S196-P243 PolarHBondContact OG-O 2.74Å; M197-P243 PolarHBondContact N-O 2.62Å; I241-P243 HydrophobicContact CG2-CG 3.93Å; I241-P243 WeakPolarHBondContact O-CD 3.29Å; P243-T269 HydrophobicContact CB-CG2 4.19Å; P243-T269 HydrophobicContact CG-CG2 4.22Å; P243-I286 CarbonylContact C-O 3.48Å; P243-I286 WeakPolarHBondContact CA-O 3.43Å; P243-I286 HydrophobicContact CB-CB 4.48Å
244F88.3Confident88.8Confident20 Ų2042 Ų429%0.08822%0.223CC..  trans-83.2-99.6170-169.3-115.6000110.4M197 F201 F261 I286 L307 I309M197-F244 HydrophobicContact CB-CD2 3.68Å; M197-F244 HydrophobicContact CB-CE2 4.46Å; M197-F244 HydrophobicContact CG-CB 3.79Å; M197-F244 HydrophobicContact CG-CD2 3.65Å; M197-F244 HydrophobicContact CG-CG 4.2Å; F201-F244 HydrophobicContact CZ-CD2 4.45Å; F201-F244 AromaticContact CZ-CE2 3.94Å; F201-F244 HydrophobicContact CZ-CE2 3.94Å; F244-F261 HydrophobicContact CD1-CB 3.97Å; F244-F261 AromaticContact CD1-CD2 3.77Å; F244-F261 HydrophobicContact CD1-CD2 3.77Å; F244-F261 HydrophobicContact CD1-CG 4.16Å; F244-F261 HydrophobicContact CE1-CB 3.84Å; F244-F261 AromaticContact CE1-CD2 3.34Å; F244-F261 HydrophobicContact CE1-CD2 3.34Å; F244-F261 HydrophobicContact CE1-CE2 4.2Å; F244-F261 AromaticContact CE1-CG 4Å; F244-F261 HydrophobicContact CE1-CG 4Å; F244-F261 AromaticContact CZ-CD2 3.8Å; F244-F261 HydrophobicContact CZ-CD2 3.8Å; F244-F261 HydrophobicContact CZ-CE2 4.32Å; F244-I286 PolarHBondContact N-O 2.89Å; F244-L307 HydrophobicContact CZ-CD1 4.42Å; F244-I309 HydrophobicContact CE2-CD1 4.24Å; F244-I309 HydrophobicContact CZ-CD1 3.69Å; F244-I309 HydrophobicContact CZ-CG1 4.38Å
245L87.1Confident87.9Confident16 Ų1642.3 Ų42.38%0.08422%0.22CC..  trans-108.3123176.9-63.2176000109.8I256 T258 I263 L264L245-I256 HydrophobicContact CD1-CD1 4.19Å; L245-I256 HydrophobicContact CD1-CG1 4.4Å; L245-I256 HydrophobicContact CD2-CD1 3.63Å; L245-T258 HydrophobicContact CD1-CG2 3.6Å; L245-I263 HydrophobicContact CB-CB 4.41Å; L245-I263 HydrophobicContact CB-CG1 4.26Å; L245-I263 HydrophobicContact CB-CG2 4.08Å; L245-I263 HydrophobicContact CD1-CG1 4.25Å; L245-L264 PolarHBondContact O-N 3.45Å
246T88.7Confident87Confident11 Ų1138.2 Ų38.27%0.06720%0.202CC..BIsolated β-bridgetrans-130135.5175.8-570000109.3I70 T248 L251 L264 I266 T269I70-T246 HydrophobicContact CD1-CG2 4.17Å; I70-T246 HydrophobicContact CG1-CG2 4.24Å; T246-T248 HydrophobicContact CG2-CG2 3.87Å; T246-T248 PolarHBondContact O-N 3.11Å; T246-L251 WeakPolarHBondContact O-CD1 3.16Å; T246-L251 WeakPolarHBondContact O-CG 3.47Å; T246-L264 CarbonylContact C-O 3.33Å; T246-L264 VanDerWaalsContact CA-O 3.29Å; T246-L264 WeakPolarHBondContact CA-O 3.17Å; T246-I266 HydrophobicContact CG2-CG1 4.24Å; T246-T269 HydrophobicContact CG2-CG2 4.16Å; T246-T269 WeakPolarHBondContact CG2-OG1 3.44Å; T246-T269 PolarHBondContact OG1-OG1 2.86Å
247E87.1Confident86Confident110 Ų11040.5 Ų40.551%0.51422%0.219SC..  trans-66.967-177.7-63-179.5171.700112.6I263 L264 I266E247-I263 HydrophobicContact CB-CG2 4.47Å; E247-I263 HydrophobicContact CG-CB 4.25Å; E247-I263 HydrophobicContact CG-CG2 3.42Å; E247-I263 VanDerWaalsContact CG-CG2 3.42Å; E247-L264 PolarHBondContact N-O 2.91Å; E247-I266 WeakPolarHBondContact O-CD1 3.38Å; E247-I266 WeakPolarHBondContact O-CG1 3.17Å
248T87Confident85Confident17 Ų1739.2 Ų39.210%0.10422%0.215CC..SBendtrans-106.7166.8178.366.70000110.8I70 T246 L250 L251 I266I70-T248 HydrophobicContact CD1-CG2 4.04Å; I70-T248 HydrophobicContact CG1-CG2 3.91Å; T246-T248 HydrophobicContact CG2-CG2 3.87Å; T246-T248 PolarHBondContact O-N 3.11Å; T248-L250 PolarHBondContact O-N 2.94Å; T248-L250 WeakPolarHBondContact OG1-CB 3.4Å; T248-L250 PolarHBondContact OG1-N 2.89Å; T248-L251 PolarHBondContact O-N 3.45Å; T248-I266 HydrophobicContact CG2-CD1 4.48Å; T248-I266 HydrophobicContact CG2-CG1 4.13Å
249N83.6Confident84Confident80 Ų8044.4 Ų44.443%0.42824%0.243SC..G310 helixtrans-56.5-19.7172.4-68.1-16.5000113.6Q68 L251 N252Q68-N249 PolarHBondContact NE2-ND2 3.08Å; Q68-N249 PolarHBondContact OE1-ND2 3Å; N249-L251 PolarHBondContact O-N 3.03Å; N249-N252 WeakPolarHBondContact O-CB 3.49Å; N249-N252 PolarHBondContact O-N 3.26Å; N249-N252 PolarHBondContact OD1-ND2 2.82Å
250L81.1Confident82.9Confident53 Ų5346.9 Ų46.928%0.27726%0.258SS..G310 helixtrans-64.9-28.4173.7-63.4174.8000112.3W148 T248W148-L250 HydrophobicContact CB-CD2 4.1Å; W148-L250 HydrophobicContact CE3-CB 4.4Å; T248-L250 PolarHBondContact O-N 2.94Å; T248-L250 WeakPolarHBondContact OG1-CB 3.4Å; T248-L250 PolarHBondContact OG1-N 2.89Å
251L80.8Confident81.9Confident25 Ų2547.9 Ų47.913%0.13126%0.262CS..G310 helixtrans-80.2-17.5175.6-62.3-169.2000112.5W148 T246 T248 N249 S253 C254 I256 I263W148-L251 HydrophobicContact CZ3-CD2 3.72Å; T246-L251 WeakPolarHBondContact O-CD1 3.16Å; T246-L251 WeakPolarHBondContact O-CG 3.47Å; T248-L251 PolarHBondContact O-N 3.45Å; N249-L251 PolarHBondContact O-N 3.03Å; L251-S253 PolarHBondContact O-N 3.47Å; L251-S253 VanDerWaalsContact O-N 3.1Å; L251-C254 CarbonylContact O-C 3.53Å; L251-C254 PolarHBondContact O-N 3Å; L251-I256 HydrophobicContact CD1-CG2 4.34Å; L251-I256 HydrophobicContact CD2-CG2 4.2Å; L251-I263 HydrophobicContact CD1-CG2 3.86Å
252N77.3Confident81.2Confident126 Ų12654.3 Ų54.367%0.67429%0.286SS*.THydrogen-bonded Turntrans-61.2-26.6-177-66.6-5.3000112.8N249 C254N249-N252 WeakPolarHBondContact O-CB 3.49Å; N249-N252 PolarHBondContact O-N 3.26Å; N249-N252 PolarHBondContact OD1-ND2 2.82Å; N252-C254 VanDerWaalsContact C-N 3.28Å; N252-C254 PolarHBondContact O-N 3.47Å
253S71.1Confident80.7Confident86 Ų8656.5 Ų56.560%0.60130%0.297SS*.THydrogen-bonded Turntrans-82.70.5177.4-530000113.6L251L251-S253 PolarHBondContact O-N 3.47Å; L251-S253 VanDerWaalsContact O-N 3.1Å
254C71.4Confident80.5Confident14 Ų1456.3 Ų56.310%0.09530%0.295CS..  trans-140.4129.7-177.6-175.30000111.9W148 V150 L251 N252 I256 Y311W148-C254 HydrophobicContact CH2-CB 4.18Å; W148-C254 HydrophobicContact CZ3-CB 4.32Å; V150-C254 HydrophobicContact CB-CB 4.41Å; V150-C254 HydrophobicContact CG1-CB 3.87Å; V150-C254 HydrophobicContact CG2-CB 3.86Å; L251-C254 CarbonylContact O-C 3.53Å; L251-C254 PolarHBondContact O-N 3Å; N252-C254 VanDerWaalsContact C-N 3.28Å; N252-C254 PolarHBondContact O-N 3.47Å; C254-I256 VanDerWaalsContact C-N 3.33Å; C254-I256 PolarHBondContact O-N 2.94Å; C254-I256 VanDerWaalsContact O-N 3.09Å; C254-Y311 WeakPolarHBondContact SG-CD1 3.29Å
255Q72.1Confident80.8Confident137 Ų13757.2 Ų57.264%0.6430%0.304SS*.  trans-84.483.1166-68-176.717.900109.2K312Q255-K312 HydrophobicContact CB-CB 3.83Å; Q255-K312 PolarHBondContact O-N 3.17Å
256I76.3Confident81.2Confident20 Ų2058.7 Ų58.710%0.10331%0.311CS..EExtended strand (participates in β ladder)trans-91.1136.5174.9-168.2158.2000111L245 L251 C254 I309 R310 Y311L245-I256 HydrophobicContact CD1-CD1 4.19Å; L245-I256 HydrophobicContact CD1-CG1 4.4Å; L245-I256 HydrophobicContact CD2-CD1 3.63Å; L251-I256 HydrophobicContact CD1-CG2 4.34Å; L251-I256 HydrophobicContact CD2-CG2 4.2Å; C254-I256 VanDerWaalsContact C-N 3.33Å; C254-I256 PolarHBondContact O-N 2.94Å; C254-I256 VanDerWaalsContact O-N 3.09Å; I256-I309 HydrophobicContact CD1-CG2 3.69Å; I256-I309 HydrophobicContact CG1-CG2 3.95Å; I256-R310 WeakPolarHBondContact CA-O 3.47Å; I256-Y311 HydrophobicContact CD1-CE1 3.89Å
257S75.6Confident81.5Confident55 Ų5561 Ų6139%0.38533%0.327SS..EExtended strand (participates in β ladder)trans-138144.1169.863.40000110.7R310S257-R310 PolarHBondContact N-O 3.09Å; S257-R310 PolarHBondContact O-N 3.39Å
258T76.4Confident82Confident28 Ų2859 Ų5917%0.17232%0.318CS..  trans-142.8144.1169.5170.90000107.8L245 V260 F261 L307L245-T258 HydrophobicContact CD1-CG2 3.6Å; T258-V260 PolarHBondContact OG1-N 3.47Å; T258-F261 HydrophobicContact CG2-CB 4.36Å; T258-F261 WeakPolarHBondContact CG2-O 3.3Å; T258-F261 PolarHBondContact OG1-N 3.34Å; T258-L307 PolarHBondContact OG1-O 3.22Å
259D76.6Confident82.4Confident120 Ų12058.2 Ų58.264%0.64231%0.313SS*.SBendtrans-94.9-10.7175.552.2-11.3000112.5N308D259-N308 VanDerWaalsContact CG-ND2 3.32Å; D259-N308 VanDerWaalsContact OD1-CB 3.3Å; D259-N308 WeakPolarHBondContact OD1-CB 3.5Å; D259-N308 PolarHBondContact OD1-ND2 2.87Å; D259-N308 PolarHBondContact OD2-ND2 3.43Å
260V75.1Confident83.1Confident52 Ų5254.4 Ų54.432%0.31529%0.293SS..SBendtrans-93.8-41.5-177.4179.70000112.5T258 F306 L307T258-V260 PolarHBondContact OG1-N 3.47Å; V260-F306 HydrophobicContact CG1-CE1 3.86Å; V260-F306 HydrophobicContact CG1-CZ 4.17Å; V260-F306 WeakPolarHBondContact CG2-O 3.49Å; V260-L307 HydrophobicContact CG1-CD2 4.09Å
261F76.9Confident83.9Confident28 Ų2855.4 Ų55.412%0.12330%0.296CS..SBendtrans-118.6133.9-175.5-66.6-48.7000112.2F244 T258 I263 Y289 L307F244-F261 HydrophobicContact CD1-CB 3.97Å; F244-F261 AromaticContact CD1-CD2 3.77Å; F244-F261 HydrophobicContact CD1-CD2 3.77Å; F244-F261 HydrophobicContact CD1-CG 4.16Å; F244-F261 HydrophobicContact CE1-CB 3.84Å; F244-F261 AromaticContact CE1-CD2 3.34Å; F244-F261 HydrophobicContact CE1-CD2 3.34Å; F244-F261 HydrophobicContact CE1-CE2 4.2Å; F244-F261 AromaticContact CE1-CG 4Å; F244-F261 HydrophobicContact CE1-CG 4Å; F244-F261 AromaticContact CZ-CD2 3.8Å; F244-F261 HydrophobicContact CZ-CD2 3.8Å; F244-F261 HydrophobicContact CZ-CE2 4.32Å; T258-F261 HydrophobicContact CG2-CB 4.36Å; T258-F261 WeakPolarHBondContact CG2-O 3.3Å; T258-F261 PolarHBondContact OG1-N 3.34Å; F261-I263 PolarHBondContact O-N 2.99Å; F261-Y289 HydrophobicContact CD1-CD2 4.3Å; F261-Y289 AromaticContact CD1-CE2 3.49Å; F261-Y289 HydrophobicContact CD1-CE2 3.49Å; F261-Y289 VanDerWaalsContact CD1-CE2 3.49Å; F261-Y289 AromaticContact CE1-CD2 3.69Å; F261-Y289 HydrophobicContact CE1-CD2 3.69Å; F261-Y289 AromaticContact CE1-CE2 3.35Å; F261-Y289 HydrophobicContact CE1-CE2 3.35Å; F261-Y289 HydrophobicContact CZ-CD2 4.5Å; F261-Y289 HydrophobicContact CZ-CE2 4.41Å; F261-L307 HydrophobicContact CD2-CD2 3.77Å; F261-L307 HydrophobicContact CE2-CD1 4.13Å; F261-L307 HydrophobicContact CE2-CD2 3.11Å; F261-L307 HydrophobicContact CE2-CG 4.19Å; F261-L307 HydrophobicContact CZ-CD2 3.73Å
262R82.8Confident84.7Confident135 Ų13556 Ų5651%0.50930%0.303SS..PPolyproline II helixtrans-67.2131.9171.4-175.9167.762.9106.41.5109.7L264 E268R262-L264 PolarHBondContact O-N 3.37Å; R262-E268 IonicContact CZ-OE1 2.74Å; R262-E268 IonicContact CZ-OE2 3.95Å; R262-E268 VanDerWaalsContact CZ-OE2 3.3Å; R262-E268 IonicContact NH1-OE2 3.38Å; R262-E268 PolarHBondContact NH1-OE2 3.42Å; R262-E268 IonicContact NH2-OE1 3.21Å; R262-E268 PolarHBondContact NH2-OE1 3.09Å; R262-E268 IonicContact NH2-OE2 2.83Å; R262-E268 PolarHBondContact NH2-OE2 2.88Å
263I85.9Confident85.7Confident46 Ų4650 Ų5024%0.23627%0.271CS..PPolyproline II helixtrans-68.1120.1164.6-50-179000106.5L245 E247 L251 F261L245-I263 HydrophobicContact CB-CB 4.41Å; L245-I263 HydrophobicContact CB-CG1 4.26Å; L245-I263 HydrophobicContact CB-CG2 4.08Å; L245-I263 HydrophobicContact CD1-CG1 4.25Å; E247-I263 HydrophobicContact CB-CG2 4.47Å; E247-I263 HydrophobicContact CG-CB 4.25Å; E247-I263 HydrophobicContact CG-CG2 3.42Å; E247-I263 VanDerWaalsContact CG-CG2 3.42Å; L251-I263 HydrophobicContact CD1-CG2 3.86Å; F261-I263 PolarHBondContact O-N 2.99Å
264L90.5Very high87Confident3 Ų346 Ų462%0.01624%0.242CC..BIsolated β-bridgetrans-82.5139.5-173.9-62.6-177.4000111.2L245 T246 E247 R262 I286 P287L245-L264 PolarHBondContact O-N 3.45Å; T246-L264 CarbonylContact C-O 3.33Å; T246-L264 VanDerWaalsContact CA-O 3.29Å; T246-L264 WeakPolarHBondContact CA-O 3.17Å; E247-L264 PolarHBondContact N-O 2.91Å; R262-L264 PolarHBondContact O-N 3.37Å; L264-I286 HydrophobicContact CD1-CG2 3.68Å; L264-P287 HydrophobicContact CD1-CB 4.3Å
265P93.2Very high88.3Confident40 Ų4048.1 Ų48.126%0.2625%0.253SS..PPolyproline II helixtrans-58.6150.6166.7-22.333.5000111.1S267 E268 T269P265-S267 PolarHBondContact O-N 3.5Å; P265-E268 PolarHBondContact O-N 3.5Å; P265-E268 VanDerWaalsContact O-N 3.13Å; P265-T269 PolarHBondContact O-N 3.23Å
266I95.3Very high89.4Confident47 Ų4741.7 Ų41.724%0.24122%0.223CC..Hα-helixtrans-54.5-41177.9-64.1170.1000111.4I70 E73 T246 E247 T248 E268 T269 A270I70-I266 HydrophobicContact CG1-CG2 4.36Å; E73-I266 HydrophobicContact CB-CG2 3.68Å; E73-I266 HydrophobicContact CG-CG2 4.08Å; T246-I266 HydrophobicContact CG2-CG1 4.24Å; E247-I266 WeakPolarHBondContact O-CD1 3.38Å; E247-I266 WeakPolarHBondContact O-CG1 3.17Å; T248-I266 HydrophobicContact CG2-CD1 4.48Å; T248-I266 HydrophobicContact CG2-CG1 4.13Å; I266-E268 VanDerWaalsContact C-N 3.33Å; I266-E268 PolarHBondContact O-N 3.06Å; I266-T269 PolarHBondContact O-N 3.44Å; I266-A270 VanDerWaalsContact O-CB 3.24Å; I266-A270 WeakPolarHBondContact O-CB 3.44Å; I266-A270 PolarHBondContact O-N 3.21Å
267S96.1Very high90.5Very high58 Ų5840.8 Ų40.841%0.40622%0.218SC..Hα-helixtrans-60.8-38.7-179.354.10000112.8M77 P265 Q271M77-S267 WeakPolarHBondContact CE-O 3.45Å; P265-S267 PolarHBondContact O-N 3.5Å; S267-Q271 VanDerWaalsContact O-CB 3.28Å; S267-Q271 WeakPolarHBondContact O-CB 3.3Å; S267-Q271 PolarHBondContact O-N 2.89Å
268E96.1Very high91.6Very high70 Ų7039 Ų3933%0.32720%0.204SC..Hα-helixtrans-71.7-41.2179.4-169175.2156.400112R262 P265 I266 Q271 S272R262-E268 IonicContact CZ-OE1 2.74Å; R262-E268 IonicContact CZ-OE2 3.95Å; R262-E268 VanDerWaalsContact CZ-OE2 3.3Å; R262-E268 IonicContact NH1-OE2 3.38Å; R262-E268 PolarHBondContact NH1-OE2 3.42Å; R262-E268 IonicContact NH2-OE1 3.21Å; R262-E268 PolarHBondContact NH2-OE1 3.09Å; R262-E268 IonicContact NH2-OE2 2.83Å; R262-E268 PolarHBondContact NH2-OE2 2.88Å; P265-E268 PolarHBondContact O-N 3.5Å; P265-E268 VanDerWaalsContact O-N 3.13Å; I266-E268 VanDerWaalsContact C-N 3.33Å; I266-E268 PolarHBondContact O-N 3.06Å; E268-Q271 PolarHBondContact O-N 2.95Å; E268-S272 PolarHBondContact O-N 3.49Å; E268-S272 PolarHBondContact O-OG 3.49Å
269T96.8Very high92.5Very high0 Ų041.4 Ų41.40%021%0.211CC..Hα-helixtrans-64.6-44.4173.3-63.10000111.1I70 P243 T246 P265 I266 S272 I273 I286I70-T269 HydrophobicContact CD1-CG2 3.87Å; I70-T269 HydrophobicContact CG1-CG2 4.26Å; P243-T269 HydrophobicContact CB-CG2 4.19Å; P243-T269 HydrophobicContact CG-CG2 4.22Å; T246-T269 HydrophobicContact CG2-CG2 4.16Å; T246-T269 WeakPolarHBondContact CG2-OG1 3.44Å; T246-T269 PolarHBondContact OG1-OG1 2.86Å; P265-T269 PolarHBondContact O-N 3.23Å; I266-T269 PolarHBondContact O-N 3.44Å; T269-S272 WeakPolarHBondContact O-CB 3.32Å; T269-S272 PolarHBondContact O-N 3.01Å; T269-I273 HydrophobicContact CG2-CD1 4.1Å; T269-I273 WeakPolarHBondContact O-CG1 3.32Å; T269-I273 PolarHBondContact O-N 3.38Å; T269-I286 HydrophobicContact CG2-CD1 4.21Å; T269-I286 HydrophobicContact CG2-CG2 4.4Å
270A98.1Very high93.3Very high0 Ų039 Ų390%020%0.195CC..Hα-helixtrans-62-43.7177.100000111.8E73 V74 M77 I266 S272 I273 V274E73-A270 HydrophobicContact CB-CB 3.74Å; E73-A270 HydrophobicContact CG-CB 3.45Å; E73-A270 VanDerWaalsContact CG-CB 3.45Å; V74-A270 HydrophobicContact CG2-CB 3.72Å; M77-A270 HydrophobicContact CE-CB 4.02Å; M77-A270 HydrophobicContact SD-CB 3.94Å; I266-A270 VanDerWaalsContact O-CB 3.24Å; I266-A270 WeakPolarHBondContact O-CB 3.44Å; I266-A270 PolarHBondContact O-N 3.21Å; A270-S272 VanDerWaalsContact C-N 3.28Å; A270-S272 PolarHBondContact O-N 3.25Å; A270-I273 WeakPolarHBondContact O-CB 3.49Å; A270-I273 PolarHBondContact O-N 3.11Å; A270-I273 VanDerWaalsContact O-N 3.14Å; A270-V274 WeakPolarHBondContact O-CG2 3.45Å; A270-V274 PolarHBondContact O-N 3.39Å
271Q97.9Very high94.2Very high74 Ų7440.2 Ų40.235%0.34620%0.197SC..Hα-helixtrans-60.6-39.9176.3-175.16166.800111.7M77 S267 E268 V274 N275M77-Q271 HydrophobicContact CE-CB 4.1Å; M77-Q271 HydrophobicContact SD-CB 4.29Å; S267-Q271 VanDerWaalsContact O-CB 3.28Å; S267-Q271 WeakPolarHBondContact O-CB 3.3Å; S267-Q271 PolarHBondContact O-N 2.89Å; E268-Q271 PolarHBondContact O-N 2.95Å; Q271-V274 PolarHBondContact O-N 3.49Å; Q271-N275 PolarHBondContact NE2-OD1 3.5Å; Q271-N275 VanDerWaalsContact NE2-OD1 3.16Å; Q271-N275 WeakPolarHBondContact O-CB 3.4Å; Q271-N275 PolarHBondContact O-N 3.36Å; Q271-N275 PolarHBondContact O-ND2 3.48Å
272S97.5Very high94.9Very high38 Ų3841.7 Ų41.727%0.26621%0.208SC..Hα-helixtrans-65.7-38176.5-62.40000112E268 T269 A270 N275 A276E268-S272 PolarHBondContact O-N 3.49Å; E268-S272 PolarHBondContact O-OG 3.49Å; T269-S272 WeakPolarHBondContact O-CB 3.32Å; T269-S272 PolarHBondContact O-N 3.01Å; A270-S272 VanDerWaalsContact C-N 3.28Å; A270-S272 PolarHBondContact O-N 3.25Å; S272-N275 PolarHBondContact O-N 3.41Å; S272-A276 WeakPolarHBondContact O-CB 3.46Å; S272-A276 PolarHBondContact O-N 3.23Å
273I98.5Very high95.4Very high0 Ų039.2 Ų39.20%020%0.202CC..Hα-helixtrans-66.3-45.4173.8-69.2166.2000111.3I70 V74 L142 V194 I241 T269 A270 N275 A276 I277 I286I70-I273 HydrophobicContact CG2-CD1 3.34Å; V74-I273 HydrophobicContact CG2-CB 4.18Å; V74-I273 HydrophobicContact CG2-CD1 4.48Å; V74-I273 HydrophobicContact CG2-CG2 4.02Å; L142-I273 HydrophobicContact CD1-CG2 4.35Å; L142-I273 HydrophobicContact CD2-CG2 4.17Å; V194-I273 HydrophobicContact CG2-CD1 4.23Å; I241-I273 HydrophobicContact CD1-CG1 4.46Å; I241-I273 HydrophobicContact CG1-CG1 4.16Å; I241-I273 HydrophobicContact CG2-CD1 4.32Å; I241-I273 HydrophobicContact CG2-CG1 3.79Å; T269-I273 HydrophobicContact CG2-CD1 4.1Å; T269-I273 WeakPolarHBondContact O-CG1 3.32Å; T269-I273 PolarHBondContact O-N 3.38Å; A270-I273 WeakPolarHBondContact O-CB 3.49Å; A270-I273 PolarHBondContact O-N 3.11Å; A270-I273 VanDerWaalsContact O-N 3.14Å; I273-N275 VanDerWaalsContact C-N 3.3Å; I273-N275 PolarHBondContact O-N 3Å; I273-A276 WeakPolarHBondContact O-CB 3.47Å; I273-A276 PolarHBondContact O-N 3.42Å; I273-A276 VanDerWaalsContact O-N 3.15Å; I273-I277 HydrophobicContact CG2-CD1 3.85Å; I273-I277 WeakPolarHBondContact O-CG1 3.21Å; I273-I277 PolarHBondContact O-N 2.78Å; I273-I286 HydrophobicContact CG1-CD1 3.86Å
274V98.6Very high95.8Very high0 Ų037.8 Ų37.80%020%0.196CC..Hα-helixtrans-57.9-46.6175.8169.10000109.9V74 M77 F78 M81 A270 Q271 A276 I277 L278V74-V274 HydrophobicContact CG1-CG2 4.15Å; M77-V274 HydrophobicContact CB-CG2 3.81Å; M77-V274 HydrophobicContact CG-CG2 4.48Å; M77-V274 HydrophobicContact SD-CG2 3.87Å; F78-V274 HydrophobicContact CD2-CG2 4.32Å; F78-V274 HydrophobicContact CE1-CG1 4.01Å; F78-V274 HydrophobicContact CE1-CG2 4.46Å; F78-V274 HydrophobicContact CE2-CG2 3.95Å; F78-V274 HydrophobicContact CZ-CB 4.29Å; F78-V274 HydrophobicContact CZ-CG1 4.14Å; F78-V274 HydrophobicContact CZ-CG2 4.01Å; M81-V274 HydrophobicContact CE-CG1 3.72Å; M81-V274 HydrophobicContact SD-CG1 4.15Å; A270-V274 WeakPolarHBondContact O-CG2 3.45Å; A270-V274 PolarHBondContact O-N 3.39Å; Q271-V274 PolarHBondContact O-N 3.49Å; V274-A276 PolarHBondContact O-N 3.45Å; V274-I277 PolarHBondContact O-N 3.08Å; V274-L278 HydrophobicContact CG1-CD1 3.83Å; V274-L278 HydrophobicContact CG1-CG 4.2Å; V274-L278 WeakPolarHBondContact O-CB 3.42Å; V274-L278 VanDerWaalsContact O-CG 3.26Å; V274-L278 WeakPolarHBondContact O-CG 3.42Å; V274-L278 PolarHBondContact O-N 3.37Å
275N97.4Very high95.9Very high60 Ų6039.2 Ų39.232%0.32120%0.202SC..Hα-helixtrans-61.3-43.4175.5-69.5-14000111.8Q271 S272 I273 I277 L278 Y279Q271-N275 PolarHBondContact NE2-OD1 3.5Å; Q271-N275 VanDerWaalsContact NE2-OD1 3.16Å; Q271-N275 WeakPolarHBondContact O-CB 3.4Å; Q271-N275 PolarHBondContact O-N 3.36Å; Q271-N275 PolarHBondContact O-ND2 3.48Å; S272-N275 PolarHBondContact O-N 3.41Å; I273-N275 VanDerWaalsContact C-N 3.3Å; I273-N275 PolarHBondContact O-N 3Å; N275-I277 VanDerWaalsContact C-N 3.27Å; N275-I277 PolarHBondContact O-N 2.94Å; N275-L278 PolarHBondContact O-N 2.73Å; N275-Y279 HydrophobicContact CB-CD2 4.44Å; N275-Y279 WeakPolarHBondContact O-CB 3.43Å; N275-Y279 VanDerWaalsContact O-CD2 3.24Å; N275-Y279 WeakPolarHBondContact O-CD2 3.38Å; N275-Y279 PolarHBondContact O-N 3.48Å
276A96.9Very high95.8Very high2 Ų237.4 Ų37.42%0.01719%0.19CC..Hα-helixtrans-55.8-43.8175.800000112T239 I241 S272 I273 V274 E280 K281 V284T239-A276 HydrophobicContact CG2-CB 4.32Å; I241-A276 HydrophobicContact CD1-CB 3.51Å; S272-A276 WeakPolarHBondContact O-CB 3.46Å; S272-A276 PolarHBondContact O-N 3.23Å; I273-A276 WeakPolarHBondContact O-CB 3.47Å; I273-A276 PolarHBondContact O-N 3.42Å; I273-A276 VanDerWaalsContact O-N 3.15Å; V274-A276 PolarHBondContact O-N 3.45Å; A276-E280 WeakPolarHBondContact O-CA 3.13Å; A276-E280 PolarHBondContact O-N 2.99Å; A276-K281 PolarHBondContact O-N 3.2Å; A276-V284 HydrophobicContact CB-CB 4.14Å; A276-V284 HydrophobicContact CB-CG1 4.32Å; A276-V284 HydrophobicContact CB-CG2 3.55Å
277I98.4Very high95.5Very high0 Ų035.9 Ų35.90%018%0.183CC..Hα-helixtrans-67.5-46.2178.1-68.1162.4000111.5K54 F78 V140 V192 I273 V274 N275 Y279 E280K54-I277 VanDerWaalsContact CE-O 3.26Å; K54-I277 WeakPolarHBondContact CE-O 3.4Å; F78-I277 HydrophobicContact CE1-CG2 4.34Å; F78-I277 HydrophobicContact CE2-CD1 3.59Å; F78-I277 HydrophobicContact CZ-CB 3.88Å; F78-I277 HydrophobicContact CZ-CD1 3.62Å; F78-I277 HydrophobicContact CZ-CG1 4.35Å; F78-I277 HydrophobicContact CZ-CG2 3.71Å; V140-I277 HydrophobicContact CG1-CG2 4.14Å; V140-I277 HydrophobicContact CG2-CG2 4.2Å; V192-I277 HydrophobicContact CG1-CG1 4.33Å; V192-I277 HydrophobicContact CG2-CG1 3.94Å; I273-I277 HydrophobicContact CG2-CD1 3.85Å; I273-I277 WeakPolarHBondContact O-CG1 3.21Å; I273-I277 PolarHBondContact O-N 2.78Å; V274-I277 PolarHBondContact O-N 3.08Å; N275-I277 VanDerWaalsContact C-N 3.27Å; N275-I277 PolarHBondContact O-N 2.94Å; I277-Y279 VanDerWaalsContact C-N 3.29Å; I277-Y279 PolarHBondContact O-N 3.11Å; I277-E280 PolarHBondContact O-N 3.19Å
278L97.9Very high94.9Very high18 Ų1837.6 Ų37.69%0.09420%0.195CC..Hα-helixtrans-63.5-36.2-178.3-70177.2000112P53 K54 V56 F78 M81 V274 N275P53-L278 CarbonylContact C-O 3.45Å; P53-L278 WeakPolarHBondContact CA-O 3.26Å; P53-L278 HydrophobicContact CB-CB 4.06Å; K54-L278 PolarHBondContact N-O 2.74Å; K54-L278 WeakPolarHBondContact O-CD2 3.31Å; V56-L278 HydrophobicContact CG1-CD2 3.62Å; V56-L278 HydrophobicContact CG2-CD2 4.16Å; F78-L278 HydrophobicContact CE1-CD2 4.35Å; M81-L278 HydrophobicContact CE-CD1 4.32Å; M81-L278 HydrophobicContact SD-CD1 4.18Å; V274-L278 HydrophobicContact CG1-CD1 3.83Å; V274-L278 HydrophobicContact CG1-CG 4.2Å; V274-L278 WeakPolarHBondContact O-CB 3.42Å; V274-L278 VanDerWaalsContact O-CG 3.26Å; V274-L278 WeakPolarHBondContact O-CG 3.42Å; V274-L278 PolarHBondContact O-N 3.37Å; N275-L278 PolarHBondContact O-N 2.73Å
279Y95.7Very high94Very high79 Ų7940.3 Ų40.331%0.3120%0.203SC..THydrogen-bonded Turntrans-97.47.2179.7-69.4-79000113.6Q51 P53 N275 I277 K281Q51-Y279 HydrophobicContact CB-CD1 4.14Å; P53-Y279 HydrophobicContact CB-CE1 4.19Å; P53-Y279 HydrophobicContact CB-CE2 4.31Å; P53-Y279 HydrophobicContact CG-CE1 4.42Å; N275-Y279 HydrophobicContact CB-CD2 4.44Å; N275-Y279 WeakPolarHBondContact O-CB 3.43Å; N275-Y279 VanDerWaalsContact O-CD2 3.24Å; N275-Y279 WeakPolarHBondContact O-CD2 3.38Å; N275-Y279 PolarHBondContact O-N 3.48Å; I277-Y279 VanDerWaalsContact C-N 3.29Å; I277-Y279 PolarHBondContact O-N 3.11Å; Y279-K281 PolarHBondContact O-N 3.16Å
280E94.7Very high92.8Very high68 Ų6840.4 Ų40.432%0.31820%0.204SC..THydrogen-bonded Turntrans51.540176.4-50.8-165.5136.800114.1K54 K237 A276 I277 T282K54-E280 HydrophobicContact CD-CG 4.03Å; K54-E280 VanDerWaalsContact CD-OE1 3.26Å; K54-E280 WeakPolarHBondContact CD-OE1 3.47Å; K54-E280 IonicContact NZ-OE1 3.73Å; K54-E280 PolarHBondContact NZ-OE1 3.45Å; K237-E280 VanDerWaalsContact CE-OE2 3.31Å; K237-E280 WeakPolarHBondContact CE-OE2 3.25Å; K237-E280 HydrophobicContact CG-CB 4.43Å; A276-E280 WeakPolarHBondContact O-CA 3.13Å; A276-E280 PolarHBondContact O-N 2.99Å; I277-E280 PolarHBondContact O-N 3.19Å; E280-T282 PolarHBondContact O-N 2.88Å
281K93.1Very high91.4Very high78 Ų7843.4 Ų43.434%0.33923%0.225SC..  trans-75.2120.4-175.3-64.5-172.1177.3-173.70111.8T239 A276 Y279 E283 V284T239-K281 WeakPolarHBondContact CB-O 3.46Å; T239-K281 WeakPolarHBondContact CG2-O 3.46Å; T239-K281 PolarHBondContact OG1-O 3.18Å; A276-K281 PolarHBondContact O-N 3.2Å; Y279-K281 PolarHBondContact O-N 3.16Å; K281-E283 PolarHBondContact O-N 3.01Å; K281-V284 HydrophobicContact CB-CG2 3.41Å; K281-V284 VanDerWaalsContact CB-CG2 3.41Å; K281-V284 HydrophobicContact CD-CG2 3.7Å; K281-V284 HydrophobicContact CG-CG2 4.2Å
282T92.5Very high89.8Confident60 Ų6047.4 Ų47.437%0.36825%0.248SC..SBendtrans-56.4-48.4-179.3-50.80000114.5E224 T239 T240 E280E224-T282 WeakPolarHBondContact OE1-CG2 3.34Å; E224-T282 WeakPolarHBondContact OE2-CG2 3.27Å; T239-T282 CarbonylContact C-O 3.58Å; T239-T282 VanDerWaalsContact CA-O 3.29Å; T239-T282 WeakPolarHBondContact CA-O 3.49Å; T240-T282 PolarHBondContact N-O 3.28Å; E280-T282 PolarHBondContact O-N 2.88Å
283E92.9Very high88Confident82 Ų8246.6 Ų46.638%0.38324%0.24SC..EExtended strand (participates in β ladder)trans-132.3128.4179.8-66.3-159.9114.700110.8T240 Y242 K281 F285T240-E283 WeakPolarHBondContact O-CA 3.24Å; Y242-E283 HydrophobicContact CE2-CB 4.08Å; Y242-E283 HydrophobicContact CE2-CG 4.12Å; Y242-E283 WeakPolarHBondContact CE2-OE1 3.49Å; Y242-E283 PolarHBondContact OH-OE1 3.3Å; K281-E283 PolarHBondContact O-N 3.01Å; E283-F285 HydrophobicContact CB-CE2 4.46Å
284V93.2Very high86Confident17 Ų1753.5 Ų53.510%0.10327%0.273CS..EExtended strand (participates in β ladder)trans-132114.9-178.4-175.70000111.3T240 I241 Y242 A276 K281 I286T240-V284 PolarHBondContact O-N 3.2Å; I241-V284 CarbonylContact C-O 3.58Å; I241-V284 WeakPolarHBondContact CA-O 3.43Å; I241-V284 HydrophobicContact CD1-CB 3.89Å; I241-V284 HydrophobicContact CD1-CG2 4.28Å; Y242-V284 PolarHBondContact N-O 2.78Å; A276-V284 HydrophobicContact CB-CB 4.14Å; A276-V284 HydrophobicContact CB-CG1 4.32Å; A276-V284 HydrophobicContact CB-CG2 3.55Å; K281-V284 HydrophobicContact CB-CG2 3.41Å; K281-V284 VanDerWaalsContact CB-CG2 3.41Å; K281-V284 HydrophobicContact CD-CG2 3.7Å; K281-V284 HydrophobicContact CG-CG2 4.2Å; V284-I286 HydrophobicContact CG1-CG1 4.05Å
285F93.1Very high84Confident33 Ų3355.1 Ų55.115%0.14528%0.283CS..EExtended strand (participates in β ladder)trans-84.9132.6171.8-63.9-87.8000109.4M197 H200 Y242 E283 P287 S288M197-F285 HydrophobicContact CE-CD1 4.16Å; M197-F285 HydrophobicContact CE-CE1 4.35Å; M197-F285 HydrophobicContact SD-CD1 3.52Å; M197-F285 VanDerWaalsContact SD-CD1 3.52Å; M197-F285 HydrophobicContact SD-CE1 4.04Å; H200-F285 AromaticContact CD2-CE1 3.88Å; H200-F285 AromaticContact CE1-CE1 3.84Å; H200-F285 AromaticContact CE1-CZ 3.73Å; H200-F285 AromaticContact NE2-CE1 3.47Å; H200-F285 WeakPolarHBondContact NE2-CE1 3.36Å; H200-F285 AromaticContact NE2-CZ 3.64Å; Y242-F285 HydrophobicContact CD2-CD1 4.16Å; Y242-F285 AromaticContact CD2-CE1 3.85Å; Y242-F285 HydrophobicContact CD2-CE1 3.85Å; Y242-F285 HydrophobicContact CD2-CE2 4.31Å; Y242-F285 AromaticContact CD2-CZ 3.93Å; Y242-F285 HydrophobicContact CD2-CZ 3.93Å; Y242-F285 HydrophobicContact CE2-CE1 4.48Å; Y242-F285 HydrophobicContact CE2-CZ 4.19Å; Y242-F285 HydrophobicContact CG-CD1 4.34Å; Y242-F285 HydrophobicContact CG-CE1 4.13Å; E283-F285 HydrophobicContact CB-CE2 4.46Å; F285-P287 CarbonylContact C-O 3.54Å; F285-P287 CarbonylContact O-C 3.59Å; F285-P287 VanDerWaalsContact O-C 3.3Å; F285-S288 WeakPolarHBondContact O-CA 3.47Å; F285-S288 PolarHBondContact O-N 3.11Å
286I92.2Very high82.7Confident2 Ų255.5 Ų55.51%0.0129%0.291CS..EExtended strand (participates in β ladder)trans-126.4114.4179.7-55.8172.2000108.9I241 Y242 P243 F244 L264 T269 I273 V284I241-I286 HydrophobicContact CG2-CD1 3.36Å; I241-I286 HydrophobicContact CG2-CG1 4.12Å; Y242-I286 PolarHBondContact O-N 2.8Å; P243-I286 CarbonylContact C-O 3.48Å; P243-I286 WeakPolarHBondContact CA-O 3.43Å; P243-I286 HydrophobicContact CB-CB 4.48Å; F244-I286 PolarHBondContact N-O 2.89Å; L264-I286 HydrophobicContact CD1-CG2 3.68Å; T269-I286 HydrophobicContact CG2-CD1 4.21Å; T269-I286 HydrophobicContact CG2-CG2 4.4Å; I273-I286 HydrophobicContact CG1-CD1 3.86Å; V284-I286 HydrophobicContact CG1-CG1 4.05Å
287P88Confident81.5Confident14 Ų1463.4 Ų63.49%0.09132%0.32CS..SBendcis-69156.7-4.830.2-35.8000112.8L264 F285 Y289 S290L264-P287 HydrophobicContact CD1-CB 4.3Å; F285-P287 CarbonylContact C-O 3.54Å; F285-P287 CarbonylContact O-C 3.59Å; F285-P287 VanDerWaalsContact O-C 3.3Å; P287-Y289 HydrophobicContact CB-CD1 4.11Å; P287-Y289 HydrophobicContact CB-CD2 4.44Å; P287-Y289 HydrophobicContact CB-CE1 3.56Å; P287-Y289 HydrophobicContact CB-CE2 3.9Å; P287-Y289 VanDerWaalsContact CB-CZ 3.45Å; P287-Y289 HydrophobicContact CG-CD1 4.47Å; P287-Y289 HydrophobicContact CG-CD2 3.97Å; P287-Y289 HydrophobicContact CG-CE1 3.85Å; P287-Y289 HydrophobicContact CG-CE2 3.22Å; P287-Y289 VanDerWaalsContact CG-OH 3.27Å; P287-Y289 WeakPolarHBondContact CG-OH 3.37Å; P287-Y289 PolarHBondContact O-N 2.72Å; P287-S290 WeakPolarHBondContact O-CB 3.3Å; P287-S290 PolarHBondContact O-N 3.3Å; P287-S290 PolarHBondContact O-OG 3.36Å
288S82.6Confident80.5Confident95 Ų9571.8 Ų71.866%0.66435%0.353SS*.G310 helixtrans-57.2-28.6-169.758.40000115.6F285 S290 S291F285-S288 WeakPolarHBondContact O-CA 3.47Å; F285-S288 PolarHBondContact O-N 3.11Å; S288-S290 PolarHBondContact O-N 3.35Å; S288-S291 PolarHBondContact O-OG 2.83Å
289Y77.5Confident79.2Confident126 Ų12674 Ų7449%0.49437%0.367SS..G310 helixtrans-73.3-3.6178.551.9-107.3000114.1F261 P287 S291F261-Y289 HydrophobicContact CD1-CD2 4.3Å; F261-Y289 AromaticContact CD1-CE2 3.49Å; F261-Y289 HydrophobicContact CD1-CE2 3.49Å; F261-Y289 VanDerWaalsContact CD1-CE2 3.49Å; F261-Y289 AromaticContact CE1-CD2 3.69Å; F261-Y289 HydrophobicContact CE1-CD2 3.69Å; F261-Y289 AromaticContact CE1-CE2 3.35Å; F261-Y289 HydrophobicContact CE1-CE2 3.35Å; F261-Y289 HydrophobicContact CZ-CD2 4.5Å; F261-Y289 HydrophobicContact CZ-CE2 4.41Å; P287-Y289 HydrophobicContact CB-CD1 4.11Å; P287-Y289 HydrophobicContact CB-CD2 4.44Å; P287-Y289 HydrophobicContact CB-CE1 3.56Å; P287-Y289 HydrophobicContact CB-CE2 3.9Å; P287-Y289 VanDerWaalsContact CB-CZ 3.45Å; P287-Y289 HydrophobicContact CG-CD1 4.47Å; P287-Y289 HydrophobicContact CG-CD2 3.97Å; P287-Y289 HydrophobicContact CG-CE1 3.85Å; P287-Y289 HydrophobicContact CG-CE2 3.22Å; P287-Y289 VanDerWaalsContact CG-OH 3.27Å; P287-Y289 WeakPolarHBondContact CG-OH 3.37Å; P287-Y289 PolarHBondContact O-N 2.72Å; Y289-S291 PolarHBondContact O-N 3.46Å
290S71.8Confident77.9Confident2 Ų276.8 Ų76.81%0.01438%0.377CS..G310 helixtrans-79.61.9175.871.40000114.3M197 P287 S288 L292M197-S290 VanDerWaalsContact CE-O 3.28Å; M197-S290 WeakPolarHBondContact CE-O 3.3Å; M197-S290 PolarHBondContact SD-OG 2.97Å; P287-S290 WeakPolarHBondContact O-CB 3.3Å; P287-S290 PolarHBondContact O-N 3.3Å; P287-S290 PolarHBondContact O-OG 3.36Å; S288-S290 PolarHBondContact O-N 3.35Å; S290-L292 VanDerWaalsContact C-N 3.3Å; S290-L292 PolarHBondContact O-N 3.24Å
291S70Confident76.8Confident63 Ų6377.1 Ų77.144%0.44138%0.38SS..G310 helixtrans-70.7-15.3179.859.20000115.1S288 Y289 I293S288-S291 PolarHBondContact O-OG 2.83Å; Y289-S291 PolarHBondContact O-N 3.46Å; S291-I293 PolarHBondContact O-N 2.99Å
292L64.4Low76Confident158 Ų15876 Ų7683%0.82739%0.386SS*.  trans-76.319-174.1-64.8175.3000115S290S290-L292 VanDerWaalsContact C-N 3.3Å; S290-L292 PolarHBondContact O-N 3.24Å
293I59Low75.1Confident21 Ų2174.9 Ų74.911%0.10838%0.378CS..  trans-117.674.9-165.5-47.1177.4000111.1M197 F201 S291 V303M197-I293 HydrophobicContact CE-CB 4.49Å; M197-I293 HydrophobicContact CE-CD1 3.97Å; F201-I293 HydrophobicContact CD1-CG2 3.87Å; F201-I293 HydrophobicContact CE1-CD1 4.11Å; F201-I293 HydrophobicContact CE1-CG2 3.97Å; S291-I293 PolarHBondContact O-N 2.99Å; I293-V303 HydrophobicContact CG2-CG1 4.24Å
294E55.9Low74.1Confident145 Ų14576.8 Ų76.868%0.67838%0.382SS*.  trans-141.384.2155.1-156.4164.3-127.100112.5R217R217-E294 IonicContact NH1-OE1 3.99Å; R217-E294 PolarHBondContact NH1-OE1 3Å; R217-E294 IonicContact NH2-OE1 3.32Å
295P57.7Low73.3Confident34 Ų3481.2 Ų81.222%0.22141%0.405CS..  trans-126.5175.5-175.444.6-31.5000114V299 R300 V303P295-V299 HydrophobicContact CB-CB 3.45Å; P295-V299 VanDerWaalsContact CB-CB 3.45Å; P295-V299 HydrophobicContact CB-CG1 3.26Å; P295-V299 HydrophobicContact CB-CG2 4.19Å; P295-V299 HydrophobicContact CG-CB 3.66Å; P295-V299 HydrophobicContact CG-CG1 3.3Å; P295-R300 HydrophobicContact CG-CG 4.32Å; P295-R300 WeakPolarHBondContact O-CG 3.44Å; P295-R300 PolarHBondContact O-NH1 2.76Å; P295-V303 HydrophobicContact CG-CG2 4.34Å
296S69.9Low72.7Confident69 Ų6986.4 Ų86.448%0.48343%0.428SS..  trans-59.9166-175.5790000113.1Y298 V299 R300S296-Y298 VanDerWaalsContact C-N 3.25Å; S296-Y298 PolarHBondContact O-N 3.33Å; S296-Y298 VanDerWaalsContact O-N 3.13Å; S296-V299 CarbonylContact O-C 3.51Å; S296-V299 WeakPolarHBondContact O-CA 3.26Å; S296-V299 PolarHBondContact O-N 3.4Å; S296-V299 WeakPolarHBondContact OG-CG2 3.19Å; S296-R300 PolarHBondContact O-N 2.93Å
297R71.8Confident72Confident167 Ų16786.5 Ų86.563%0.6343%0.429SS*.Hα-helixtrans-47.3-46.2178.9176.5-175.7174.3-172.6-0113R300 I301R297-R300 PolarHBondContact O-N 3.17Å; R297-I301 HydrophobicContact CG-CD1 4.23Å; R297-I301 WeakPolarHBondContact O-CG1 3.3Å; R297-I301 PolarHBondContact O-N 3.32Å
298Y76.3Confident71.5Confident176 Ų17688 Ų8869%0.6944%0.436SS*.Hα-helixtrans-68.5-38.8-179.5-67-73.1000112.1S296 R300 I301 A302S296-Y298 VanDerWaalsContact C-N 3.25Å; S296-Y298 PolarHBondContact O-N 3.33Å; S296-Y298 VanDerWaalsContact O-N 3.13Å; Y298-R300 VanDerWaalsContact C-N 3.34Å; Y298-I301 PolarHBondContact O-N 3.13Å; Y298-A302 WeakPolarHBondContact O-CB 3.49Å; Y298-A302 PolarHBondContact O-N 2.89Å
299V71.5Confident71.2Confident64 Ų6484.5 Ų84.539%0.38841%0.41SS..Hα-helixtrans-70.1-33.8174.9-172.90000110.6P295 S296 I301 A302 V303P295-V299 HydrophobicContact CB-CB 3.45Å; P295-V299 VanDerWaalsContact CB-CB 3.45Å; P295-V299 HydrophobicContact CB-CG1 3.26Å; P295-V299 HydrophobicContact CB-CG2 4.19Å; P295-V299 HydrophobicContact CG-CB 3.66Å; P295-V299 HydrophobicContact CG-CG1 3.3Å; S296-V299 CarbonylContact O-C 3.51Å; S296-V299 WeakPolarHBondContact O-CA 3.26Å; S296-V299 PolarHBondContact O-N 3.4Å; S296-V299 WeakPolarHBondContact OG-CG2 3.19Å; V299-I301 VanDerWaalsContact C-N 3.34Å; V299-I301 PolarHBondContact O-N 3.5Å; V299-A302 CarbonylContact O-C 3.59Å; V299-A302 PolarHBondContact O-N 3.37Å; V299-V303 HydrophobicContact CG1-CG2 4.01Å; V299-V303 VanDerWaalsContact O-CB 3.3Å; V299-V303 WeakPolarHBondContact O-CB 3.46Å; V299-V303 WeakPolarHBondContact O-CG2 3.22Å; V299-V303 PolarHBondContact O-N 2.84Å
300R67.4Low71.1Confident139 Ų13986.1 Ų86.153%0.52542%0.415SS..Hα-helixtrans-62.2-40.1171-69-168.8-64.3-113.39.9112.1P295 S296 R297 Y298 R304P295-R300 HydrophobicContact CG-CG 4.32Å; P295-R300 WeakPolarHBondContact O-CG 3.44Å; P295-R300 PolarHBondContact O-NH1 2.76Å; S296-R300 PolarHBondContact O-N 2.93Å; R297-R300 PolarHBondContact O-N 3.17Å; Y298-R300 VanDerWaalsContact C-N 3.34Å; R300-R304 WeakPolarHBondContact O-CB 3.4Å; R300-R304 PolarHBondContact O-N 3.02Å
301I72.4Confident71.1Confident75 Ų7587.9 Ų87.939%0.38542%0.421SS..Hα-helixtrans-64.5-46.5173.2-67.5166.3000110R297 Y298 V299 R304 N305R297-I301 HydrophobicContact CG-CD1 4.23Å; R297-I301 WeakPolarHBondContact O-CG1 3.3Å; R297-I301 PolarHBondContact O-N 3.32Å; Y298-I301 PolarHBondContact O-N 3.13Å; V299-I301 VanDerWaalsContact C-N 3.34Å; V299-I301 PolarHBondContact O-N 3.5Å; I301-R304 PolarHBondContact O-N 2.72Å; I301-N305 WeakPolarHBondContact O-CB 3.2Å; I301-N305 PolarHBondContact O-N 3.04Å
302A76.9Confident70.7Confident55 Ų5594.8 Ų94.846%0.45544%0.443SS..Hα-helixtrans-61.9-44.6178.300000112Y298 V299 N305 F306Y298-A302 WeakPolarHBondContact O-CB 3.49Å; Y298-A302 PolarHBondContact O-N 2.89Å; V299-A302 CarbonylContact O-C 3.59Å; V299-A302 PolarHBondContact O-N 3.37Å; A302-N305 PolarHBondContact O-N 3.42Å; A302-F306 VanDerWaalsContact O-CB 3.26Å; A302-F306 WeakPolarHBondContact O-CB 3.32Å; A302-F306 PolarHBondContact O-N 3.21Å
303V72.7Confident71Confident35 Ų3591.6 Ų91.621%0.21242%0.424CS..Hα-helixtrans-63.1-48.8174.9170.50000109.8I293 P295 V299 N305 F306 L307I293-V303 HydrophobicContact CG2-CG1 4.24Å; P295-V303 HydrophobicContact CG-CG2 4.34Å; V299-V303 HydrophobicContact CG1-CG2 4.01Å; V299-V303 VanDerWaalsContact O-CB 3.3Å; V299-V303 WeakPolarHBondContact O-CB 3.46Å; V299-V303 WeakPolarHBondContact O-CG2 3.22Å; V299-V303 PolarHBondContact O-N 2.84Å; V303-N305 VanDerWaalsContact C-N 3.28Å; V303-N305 PolarHBondContact O-N 3.47Å; V303-F306 CarbonylContact O-C 3.59Å; V303-F306 WeakPolarHBondContact O-CB 3.4Å; V303-F306 PolarHBondContact O-N 3.29Å; V303-F306 VanDerWaalsContact O-N 3.11Å; V303-L307 HydrophobicContact CG1-CD1 3.9Å; V303-L307 HydrophobicContact CG1-CG 3.98Å; V303-L307 WeakPolarHBondContact O-CB 3.43Å; V303-L307 VanDerWaalsContact O-CG 3.25Å; V303-L307 WeakPolarHBondContact O-CG 3.39Å; V303-L307 PolarHBondContact O-N 2.92Å
304R70.9Confident71.7Confident122 Ų12295.3 Ų95.346%0.4644%0.441SS..Hα-helixtrans-56-43.8176.2177.5178.9173.7142.31.5111.9S204 R300 I301 N308S204-R304 PolarHBondContact OG-NH1 3.14Å; S204-R304 PolarHBondContact OG-NH2 3.46Å; R300-R304 WeakPolarHBondContact O-CB 3.4Å; R300-R304 PolarHBondContact O-N 3.02Å; I301-R304 PolarHBondContact O-N 2.72Å; R304-N308 PolarHBondContact O-N 2.86Å
305N78.5Confident72.5Confident111 Ų11192.6 Ų92.659%0.59443%0.428SS*.Hα-helixtrans-67-41177.3-70.5-10.9000111.6I301 A302 V303 N308I301-N305 WeakPolarHBondContact O-CB 3.2Å; I301-N305 PolarHBondContact O-N 3.04Å; A302-N305 PolarHBondContact O-N 3.42Å; V303-N305 VanDerWaalsContact C-N 3.28Å; V303-N305 PolarHBondContact O-N 3.47Å; N305-N308 PolarHBondContact O-N 3.3Å
306F79.4Confident73.4Confident142 Ų14296 Ų9662%0.62344%0.44SS*.Hα-helixtrans-61.5-49.4175.6172.7-104.8000111.2V260 A302 V303 N308V260-F306 HydrophobicContact CG1-CE1 3.86Å; V260-F306 HydrophobicContact CG1-CZ 4.17Å; V260-F306 WeakPolarHBondContact CG2-O 3.49Å; A302-F306 VanDerWaalsContact O-CB 3.26Å; A302-F306 WeakPolarHBondContact O-CB 3.32Å; A302-F306 PolarHBondContact O-N 3.21Å; V303-F306 CarbonylContact O-C 3.59Å; V303-F306 WeakPolarHBondContact O-CB 3.4Å; V303-F306 PolarHBondContact O-N 3.29Å; V303-F306 VanDerWaalsContact O-N 3.11Å; F306-N308 PolarHBondContact O-N 3.02Å
307L77.1Confident73.6Confident4 Ų497.7 Ų97.72%0.02144%0.437CS..Hα-helixtrans-64.4-18.8178.8-63.6-171.4000113.7F244 T258 V260 F261 V303 I309F244-L307 HydrophobicContact CZ-CD1 4.42Å; T258-L307 PolarHBondContact OG1-O 3.22Å; V260-L307 HydrophobicContact CG1-CD2 4.09Å; F261-L307 HydrophobicContact CD2-CD2 3.77Å; F261-L307 HydrophobicContact CE2-CD1 4.13Å; F261-L307 HydrophobicContact CE2-CD2 3.11Å; F261-L307 HydrophobicContact CE2-CG 4.19Å; F261-L307 HydrophobicContact CZ-CD2 3.73Å; V303-L307 HydrophobicContact CG1-CD1 3.9Å; V303-L307 HydrophobicContact CG1-CG 3.98Å; V303-L307 WeakPolarHBondContact O-CB 3.43Å; V303-L307 VanDerWaalsContact O-CG 3.25Å; V303-L307 WeakPolarHBondContact O-CG 3.39Å; V303-L307 PolarHBondContact O-N 2.92Å; L307-I309 HydrophobicContact CB-CD1 4.2Å; L307-I309 HydrophobicContact CB-CG1 3.9Å; L307-I309 HydrophobicContact CD1-CD1 4.26Å; L307-I309 PolarHBondContact O-N 2.84Å
308N79Confident73.8Confident45 Ų4593.1 Ų93.124%0.24142%0.424CS..THydrogen-bonded Turntrans44.241.9175-173.735.2000113.6D259 R304 N305 F306 R310D259-N308 VanDerWaalsContact CG-ND2 3.32Å; D259-N308 VanDerWaalsContact OD1-CB 3.3Å; D259-N308 WeakPolarHBondContact OD1-CB 3.5Å; D259-N308 PolarHBondContact OD1-ND2 2.87Å; D259-N308 PolarHBondContact OD2-ND2 3.43Å; R304-N308 PolarHBondContact O-N 2.86Å; N305-N308 PolarHBondContact O-N 3.3Å; F306-N308 PolarHBondContact O-N 3.02Å; N308-R310 PolarHBondContact O-N 2.99Å; N308-R310 PolarHBondContact OD1-NE 3.12Å; N308-R310 PolarHBondContact OD1-NH2 2.91Å
309I75.9Confident73.6Confident22 Ų2287.1 Ų87.111%0.11341%0.405CS..  trans-70.4118.8179.3-51.7172.8000108.7F244 I256 L307 Y311F244-I309 HydrophobicContact CE2-CD1 4.24Å; F244-I309 HydrophobicContact CZ-CD1 3.69Å; F244-I309 HydrophobicContact CZ-CG1 4.38Å; I256-I309 HydrophobicContact CD1-CG2 3.69Å; I256-I309 HydrophobicContact CG1-CG2 3.95Å; L307-I309 HydrophobicContact CB-CD1 4.2Å; L307-I309 HydrophobicContact CB-CG1 3.9Å; L307-I309 HydrophobicContact CD1-CD1 4.26Å; L307-I309 PolarHBondContact O-N 2.84Å; I309-Y311 HydrophobicContact CB-CE2 4.43Å; I309-Y311 HydrophobicContact CG2-CD2 4.22Å; I309-Y311 HydrophobicContact CG2-CE2 3.5Å; I309-Y311 VanDerWaalsContact CG2-CE2 3.5Å
310R75.4Confident73.7Confident159 Ų15988.9 Ų88.960%0.641%0.406SS*.EExtended strand (participates in β ladder)trans-112.9132.1177-56.8-68.1177158.4-0.4109.9I256 S257 N308I256-R310 WeakPolarHBondContact CA-O 3.47Å; S257-R310 PolarHBondContact N-O 3.09Å; S257-R310 PolarHBondContact O-N 3.39Å; N308-R310 PolarHBondContact O-N 2.99Å; N308-R310 PolarHBondContact OD1-NE 3.12Å; N308-R310 PolarHBondContact OD1-NH2 2.91Å
311Y71.5Confident74.3Confident40 Ų4084.8 Ų84.816%0.15740%0.397CS..EExtended strand (participates in β ladder)trans-106.5121.1171.7-62-103.8000106.1W148 N203 Y205 C254 I256 I309W148-Y311 HydrophobicContact CH2-CE1 4.18Å; W148-Y311 HydrophobicContact CZ2-CE1 4.23Å; N203-Y311 WeakPolarHBondContact CB-OH 3.45Å; N203-Y311 PolarHBondContact ND2-OH 2.86Å; Y205-Y311 AromaticContact CD2-CD1 3.93Å; Y205-Y311 HydrophobicContact CD2-CD1 3.93Å; Y205-Y311 HydrophobicContact CD2-CD2 4.12Å; Y205-Y311 AromaticContact CD2-CG 3.64Å; Y205-Y311 HydrophobicContact CD2-CG 3.64Å; Y205-Y311 HydrophobicContact CE2-CG 4.13Å; Y205-Y311 HydrophobicContact CG-CD1 4.39Å; C254-Y311 WeakPolarHBondContact SG-CD1 3.29Å; I256-Y311 HydrophobicContact CD1-CE1 3.89Å; I309-Y311 HydrophobicContact CB-CE2 4.43Å; I309-Y311 HydrophobicContact CG2-CD2 4.22Å; I309-Y311 HydrophobicContact CG2-CE2 3.5Å; I309-Y311 VanDerWaalsContact CG2-CE2 3.5Å
312K61.5Low74.4Confident207 Ų20785.6 Ų85.690%0.940%0.398SS*.  trans-1030170.4-67.9-178.2-1771780110.4Q255Q255-K312 HydrophobicContact CB-CB 3.83Å; Q255-K312 PolarHBondContact O-N 3.17Å

Retrieved 312 of 312 residues in 153.4 ms (Link to these results)

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