A0A077ZFJ8_TRITR Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A077ZFJ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 479 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M53.5Low82.4Confident185 Ų18578 Ų7891%0.91139%0.392SS*.  0148.50-73.3-168.5-158.200108.1L22M1-L22 HydrophobicContact SD-CB 4.48Å
2E72.8Confident82.4Confident179 Ų17989.5 Ų89.584%0.83644%0.437SS*.PPolyproline II helixtrans-64.5144.4171.2-69.3-177.3160.900110.9L4E2-L4 PolarHBondContact O-N 2.89Å
3P78Confident82.7Confident62 Ų6290.5 Ų90.540%0.40344%0.44SS..PPolyproline II helixtrans-66.3131.1176.827.5-33.1000110.6L19 V20 Q21P3-L19 HydrophobicContact CB-CD2 4.12Å; P3-L19 HydrophobicContact CG-CD2 4.35Å; P3-V20 WeakPolarHBondContact CA-O 3.39Å; P3-Q21 HydrophobicContact CB-CG 4.11Å
4L85Confident83.1Confident33 Ų3391.1 Ų91.117%0.17344%0.44CS..EExtended strand (participates in β ladder)trans-79.3141.4174.7-68.9168.1000109.8E2 L19 V20 L22 L63 P65E2-L4 PolarHBondContact O-N 2.89Å; L4-L19 CarbonylContact O-C 3.45Å; L4-L19 WeakPolarHBondContact O-CA 2.91Å; L4-V20 HydrophobicContact CB-CB 4.38Å; L4-V20 PolarHBondContact N-O 3.44Å; L4-V20 PolarHBondContact O-N 2.88Å; L4-L22 HydrophobicContact CD1-CD1 3.44Å; L4-L22 VanDerWaalsContact CD1-CD1 3.44Å; L4-L22 HydrophobicContact CD1-CG 3.85Å; L4-L63 HydrophobicContact CD1-CB 4.15Å; L4-P65 HydrophobicContact CD2-CB 4.34Å; L4-P65 HydrophobicContact CD2-CG 3.62Å
5R87.5Confident83.4Confident151 Ų15187.8 Ų87.857%0.5742%0.423SS*.EExtended strand (participates in β ladder)trans-98.5125.8170-68.1179.9-175-174.52109.5V18 L19 G66R5-V18 WeakPolarHBondContact CA-O 3.15Å; R5-L19 HydrophobicContact CG-CD2 3.81Å; R5-G66 PolarHBondContact O-N 2.9Å
6V89.6Confident83.6Confident1 Ų187.5 Ų87.51%0.00642%0.424CS..EExtended strand (participates in β ladder)trans-125.2162.6178-55.80000110.6V8 N17 V18 V20 F29 C67 L69V6-V8 HydrophobicContact CG2-CG2 4.22Å; V6-N17 PolarHBondContact O-N 3.33Å; V6-V18 HydrophobicContact CG2-CB 4.14Å; V6-V18 PolarHBondContact N-O 2.74Å; V6-V18 PolarHBondContact O-N 2.87Å; V6-V20 HydrophobicContact CB-CG2 4.26Å; V6-V20 HydrophobicContact CG1-CG2 3.82Å; V6-V20 HydrophobicContact CG2-CG2 3.42Å; V6-V20 VanDerWaalsContact CG2-CG2 3.42Å; V6-F29 HydrophobicContact CG2-CE2 4.38Å; V6-F29 HydrophobicContact CG2-CZ 4.25Å; V6-C67 WeakPolarHBondContact CB-O 3.48Å; V6-L69 HydrophobicContact CB-CD1 4.26Å; V6-L69 HydrophobicContact CG2-CD1 3.68Å; V6-L69 HydrophobicContact CG2-CG 4.36Å
7Q88.7Confident83.7Confident56 Ų5688.5 Ų88.526%0.26243%0.432SS..EExtended strand (participates in β ladder)trans-102139.1171.6-61-179.7-2.600108.7F15 D16 C67 Q68 L69Q7-F15 CarbonylContact C-O 3.54Å; Q7-F15 WeakPolarHBondContact CA-O 3.49Å; Q7-D16 VanDerWaalsContact CG-OD1 3.25Å; Q7-D16 WeakPolarHBondContact CG-OD1 3.01Å; Q7-D16 PolarHBondContact NE2-OD1 2.84Å; Q7-C67 PolarHBondContact N-O 3.42Å; Q7-Q68 HydrophobicContact CB-CB 4.37Å; Q7-Q68 HydrophobicContact CB-CG 4.36Å; Q7-Q68 CarbonylContact O-C 3.53Å; Q7-Q68 WeakPolarHBondContact O-CA 3.48Å; Q7-L69 PolarHBondContact O-N 3.27Å
8V91Very high83.8Confident1 Ų183.9 Ų83.91%0.00641%0.41CS..EExtended strand (participates in β ladder)trans-123.4124.3178.5179.30000108.8V6 F15 V18 F29 L33 L69 L71V6-V8 HydrophobicContact CG2-CG2 4.22Å; V8-F15 HydrophobicContact CB-CB 4.47Å; V8-F15 PolarHBondContact N-O 2.83Å; V8-F15 PolarHBondContact O-N 2.82Å; V8-V18 HydrophobicContact CB-CG2 4.23Å; V8-V18 HydrophobicContact CG2-CB 4.17Å; V8-V18 HydrophobicContact CG2-CG1 4.49Å; V8-V18 HydrophobicContact CG2-CG2 3.85Å; V8-F29 HydrophobicContact CG2-CZ 4.1Å; V8-L33 HydrophobicContact CB-CD2 4.14Å; V8-L33 HydrophobicContact CG1-CD2 3.8Å; V8-L33 HydrophobicContact CG2-CD2 3.86Å; V8-L69 CarbonylContact C-O 3.59Å; V8-L69 WeakPolarHBondContact CA-O 3.25Å; V8-L69 HydrophobicContact CG2-CB 4.14Å; V8-L69 HydrophobicContact CG2-CD1 4.24Å; V8-L71 HydrophobicContact CG1-CB 3.88Å
9K89.6Confident84Confident88 Ų8883.6 Ų83.638%0.38341%0.41SS..EExtended strand (participates in β ladder)trans-106.2126.7175.5-178.6177.2178.5-179.90109.5G11 E13 L69 L70 L71K9-G11 WeakPolarHBondContact CE-O 3.46Å; K9-E13 WeakPolarHBondContact CA-O 3.39Å; K9-L69 PolarHBondContact N-O 3.35Å; K9-L70 HydrophobicContact CB-CD1 4.44Å; K9-L70 HydrophobicContact CG-CD1 4.42Å; K9-L71 PolarHBondContact O-N 3.17Å
10W87.9Confident84Confident45 Ų4579.5 Ų79.517%0.1739%0.389CS..EExtended strand (participates in β ladder)trans-129.5112.6175.5176.354.3000109K12 E13 F15 T37 V39 L71 G73 T75W10-K12 PolarHBondContact O-N 3.4Å; W10-K12 VanDerWaalsContact O-N 3.08Å; W10-E13 PolarHBondContact N-O 2.8Å; W10-E13 PolarHBondContact O-N 3.1Å; W10-F15 HydrophobicContact CB-CE2 4.49Å; W10-T37 HydrophobicContact CB-CG2 4.23Å; W10-T37 HydrophobicContact CD2-CG2 4.16Å; W10-T37 HydrophobicContact CE3-CG2 3.92Å; W10-T37 HydrophobicContact CG-CG2 4.31Å; W10-T37 VanDerWaalsContact CH2-O 3.27Å; W10-T37 WeakPolarHBondContact CH2-O 3.32Å; W10-T37 WeakPolarHBondContact CZ3-O 3.4Å; W10-V39 HydrophobicContact CD2-CG2 4.36Å; W10-V39 HydrophobicContact CH2-CG2 4.38Å; W10-V39 HydrophobicContact CZ2-CG2 3.6Å; W10-L71 HydrophobicContact CB-CB 4.09Å; W10-L71 HydrophobicContact CB-CD2 4.07Å; W10-L71 HydrophobicContact CB-CG 4.45Å; W10-L71 HydrophobicContact CG-CB 4.48Å; W10-L71 HydrophobicContact CG-CD2 3.97Å; W10-L71 HydrophobicContact CG-CG 4.39Å; W10-G73 PolarHBondContact NE1-O 2.78Å; W10-T75 HydrophobicContact CH2-CG2 3.42Å; W10-T75 VanDerWaalsContact CH2-CG2 3.42Å; W10-T75 HydrophobicContact CZ2-CG2 3.64Å
11G83.1Confident84Confident57 Ų5779 Ų7959%0.58839%0.386SS*.THydrogen-bonded Turntrans56.6-115.9-173.300000112.3K9K9-G11 WeakPolarHBondContact CE-O 3.46Å
12K82.6Confident85.3Confident216 Ų21672.8 Ų72.894%0.93936%0.357SS*.THydrogen-bonded Turntrans-92.7-14.8175.4-66-176.7-179.7178.90113.3W10W10-K12 PolarHBondContact O-N 3.4Å; W10-K12 VanDerWaalsContact O-N 3.08Å
13E85.5Confident85.6Confident102 Ų10269 Ų6948%0.47734%0.342SS..EExtended strand (participates in β ladder)trans-85.7146.1-177-64.4-178.6175.200111.4K9 W10 F15K9-E13 WeakPolarHBondContact CA-O 3.39Å; W10-E13 PolarHBondContact N-O 2.8Å; W10-E13 PolarHBondContact O-N 3.1Å; E13-F15 HydrophobicContact CB-CE2 3.92Å; E13-F15 HydrophobicContact CB-CZ 4.23Å; E13-F15 WeakPolarHBondContact OE2-CZ 3.41Å
14K88Confident85.8Confident100 Ų10070.3 Ų70.344%0.43534%0.341SS..EExtended strand (participates in β ladder)trans-132.1124.6179-166.2-169.8-179.2-146.20109.3D16K14-D16 WeakPolarHBondContact CE-OD1 3.32Å; K14-D16 IonicContact NZ-OD1 3.87Å; K14-D16 PolarHBondContact NZ-OD1 3.37Å; K14-D16 IonicContact NZ-OD2 3.45Å
15F88.4Confident85.8Confident41 Ų4171.4 Ų71.418%0.1835%0.352CS..EExtended strand (participates in β ladder)trans-108.4109.6177.6-58-87.4000108.3Q7 V8 W10 E13 V18 L36 T37Q7-F15 CarbonylContact C-O 3.54Å; Q7-F15 WeakPolarHBondContact CA-O 3.49Å; V8-F15 HydrophobicContact CB-CB 4.47Å; V8-F15 PolarHBondContact N-O 2.83Å; V8-F15 PolarHBondContact O-N 2.82Å; W10-F15 HydrophobicContact CB-CE2 4.49Å; E13-F15 HydrophobicContact CB-CE2 3.92Å; E13-F15 HydrophobicContact CB-CZ 4.23Å; E13-F15 WeakPolarHBondContact OE2-CZ 3.41Å; F15-V18 HydrophobicContact CB-CG2 3.88Å; F15-L36 HydrophobicContact CD1-CB 4.15Å; F15-L36 HydrophobicContact CD1-CD1 4.48Å; F15-L36 HydrophobicContact CD1-CD2 4.34Å; F15-L36 HydrophobicContact CE1-CB 4.07Å; F15-L36 WeakPolarHBondContact CZ-O 3.48Å; F15-T37 HydrophobicContact CD2-CG2 4.21Å; F15-T37 HydrophobicContact CE2-CG2 3.58Å; F15-T37 HydrophobicContact CZ-CG2 3.98Å
16D86.8Confident85.6Confident83 Ų8364.2 Ų64.244%0.44433%0.325SS..EExtended strand (participates in β ladder)trans-88.8154.3177.2-65.7-50.2000110.9Q7 K14 V18Q7-D16 VanDerWaalsContact CG-OD1 3.25Å; Q7-D16 WeakPolarHBondContact CG-OD1 3.01Å; Q7-D16 PolarHBondContact NE2-OD1 2.84Å; K14-D16 WeakPolarHBondContact CE-OD1 3.32Å; K14-D16 IonicContact NZ-OD1 3.87Å; K14-D16 PolarHBondContact NZ-OD1 3.37Å; K14-D16 IonicContact NZ-OD2 3.45Å; D16-V18 PolarHBondContact O-N 3.33Å
17N85.1Confident85.4Confident105 Ų10567.7 Ų67.756%0.56135%0.346SS*.EExtended strand (participates in β ladder)trans60.133.1176.5-60.9-45.3000116.1V6 L19V6-N17 PolarHBondContact O-N 3.33Å; N17-L19 PolarHBondContact O-N 2.75Å
18V86.1Confident85.2Confident6 Ų669 Ų694%0.03635%0.354CS..EExtended strand (participates in β ladder)trans-67.7124.7173.3-168.60000109.2R5 V6 V8 F15 D16 F29 L33 L36R5-V18 WeakPolarHBondContact CA-O 3.15Å; V6-V18 HydrophobicContact CG2-CB 4.14Å; V6-V18 PolarHBondContact N-O 2.74Å; V6-V18 PolarHBondContact O-N 2.87Å; V8-V18 HydrophobicContact CB-CG2 4.23Å; V8-V18 HydrophobicContact CG2-CB 4.17Å; V8-V18 HydrophobicContact CG2-CG1 4.49Å; V8-V18 HydrophobicContact CG2-CG2 3.85Å; F15-V18 HydrophobicContact CB-CG2 3.88Å; D16-V18 PolarHBondContact O-N 3.33Å; V18-F29 HydrophobicContact CG1-CE2 3.67Å; V18-F29 HydrophobicContact CG1-CZ 4.49Å; V18-L33 HydrophobicContact CG1-CD2 4.37Å; V18-L36 HydrophobicContact CG1-CD1 4.29Å; V18-L36 HydrophobicContact CG2-CD1 4.23Å
19L86.2Confident85.1Confident77 Ų7769.2 Ų69.240%0.40336%0.355SS..EExtended strand (participates in β ladder)trans-76.6132.3-179.9-66.2167.8000111P3 L4 R5 N17 Q32P3-L19 HydrophobicContact CB-CD2 4.12Å; P3-L19 HydrophobicContact CG-CD2 4.35Å; L4-L19 CarbonylContact O-C 3.45Å; L4-L19 WeakPolarHBondContact O-CA 2.91Å; R5-L19 HydrophobicContact CG-CD2 3.81Å; N17-L19 PolarHBondContact O-N 2.75Å; L19-Q32 PolarHBondContact O-OE1 3.35Å; L19-Q32 VanDerWaalsContact O-OE1 3.04Å
20V85.3Confident85Confident1 Ų165.5 Ų65.51%0.00634%0.339CS..EExtended strand (participates in β ladder)trans-123.2121.2175.5-169.40000109.4P3 L4 V6 L22 F29 W58 L63P3-V20 WeakPolarHBondContact CA-O 3.39Å; L4-V20 HydrophobicContact CB-CB 4.38Å; L4-V20 PolarHBondContact N-O 3.44Å; L4-V20 PolarHBondContact O-N 2.88Å; V6-V20 HydrophobicContact CB-CG2 4.26Å; V6-V20 HydrophobicContact CG1-CG2 3.82Å; V6-V20 HydrophobicContact CG2-CG2 3.42Å; V6-V20 VanDerWaalsContact CG2-CG2 3.42Å; V20-L22 HydrophobicContact CG1-CD2 4.33Å; V20-F29 HydrophobicContact CB-CD2 4.49Å; V20-F29 HydrophobicContact CG1-CD2 4.38Å; V20-F29 HydrophobicContact CG2-CD2 3.84Å; V20-F29 HydrophobicContact CG2-CE2 3.5Å; V20-F29 HydrophobicContact CG2-CZ 4.03Å; V20-W58 HydrophobicContact CG1-CH2 3.38Å; V20-W58 HydrophobicContact CG1-CZ2 3.68Å; V20-W58 HydrophobicContact CG1-CZ3 4.08Å; V20-L63 HydrophobicContact CB-CD1 4.35Å; V20-L63 HydrophobicContact CG1-CD1 3.72Å; V20-L63 HydrophobicContact CG2-CD1 4.33Å
21Q82.9Confident84.9Confident70 Ų7065.4 Ų65.433%0.32735%0.348SS..  trans-101.6100.7175.2-76.3-176.6-29.900108.7P3 D23 K24P3-Q21 HydrophobicContact CB-CG 4.11Å; Q21-D23 VanDerWaalsContact CB-OD1 3.31Å; Q21-D23 WeakPolarHBondContact CB-OD1 3.44Å; Q21-D23 PolarHBondContact O-N 2.89Å; Q21-K24 HydrophobicContact CB-CB 4.28Å; Q21-K24 HydrophobicContact CB-CD 4.39Å; Q21-K24 HydrophobicContact CB-CG 4.17Å; Q21-K24 PolarHBondContact O-N 3.08Å; Q21-K24 VanDerWaalsContact O-N 3.16Å; Q21-K24 VanDerWaalsContact OE1-CD 3.25Å
22L80.7Confident85Confident54 Ų5465.6 Ų65.628%0.28333%0.334SS..THydrogen-bonded Turntrans-68.4-17.3179.8-68179.6000113.1M1 L4 V20 K24 W58 L63M1-L22 HydrophobicContact SD-CB 4.48Å; L4-L22 HydrophobicContact CD1-CD1 3.44Å; L4-L22 VanDerWaalsContact CD1-CD1 3.44Å; L4-L22 HydrophobicContact CD1-CG 3.85Å; V20-L22 HydrophobicContact CG1-CD2 4.33Å; L22-K24 VanDerWaalsContact C-N 3.28Å; L22-W58 HydrophobicContact CD2-CD2 3.85Å; L22-W58 HydrophobicContact CD2-CE3 4.02Å; L22-W58 HydrophobicContact CD2-CG 4.12Å; L22-L63 HydrophobicContact CD2-CD1 4.15Å
23D80Confident85.3Confident99 Ų9955.3 Ų55.353%0.52929%0.289SS..THydrogen-bonded Turntrans-75.1-15.6173.258.9-58.2000113.1Q21Q21-D23 VanDerWaalsContact CB-OD1 3.31Å; Q21-D23 WeakPolarHBondContact CB-OD1 3.44Å; Q21-D23 PolarHBondContact O-N 2.89Å
24K82.5Confident85.4Confident90 Ų9054.6 Ų54.639%0.39128%0.284SS..SBendtrans-109.2160.2-179.4-61-165.8-174.8165.80111.6Q21 L22 L28 W58Q21-K24 HydrophobicContact CB-CB 4.28Å; Q21-K24 HydrophobicContact CB-CD 4.39Å; Q21-K24 HydrophobicContact CB-CG 4.17Å; Q21-K24 PolarHBondContact O-N 3.08Å; Q21-K24 VanDerWaalsContact O-N 3.16Å; Q21-K24 VanDerWaalsContact OE1-CD 3.25Å; L22-K24 VanDerWaalsContact C-N 3.28Å; K24-L28 HydrophobicContact CB-CD1 4.36Å; K24-L28 HydrophobicContact CD-CD1 3.54Å; K24-W58 PolarHBondContact O-NE1 3.45Å
25S83.9Confident85.2Confident56 Ų5654.7 Ų54.739%0.39230%0.298SS..  trans-56140.9177173.90000111.7T27 L28S25-T27 PolarHBondContact O-N 2.93Å; S25-T27 WeakPolarHBondContact OG-CB 3.43Å; S25-T27 PolarHBondContact OG-N 2.89Å; S25-T27 PolarHBondContact OG-OG1 2.83Å; S25-L28 PolarHBondContact O-N 3.04Å
26P83.9Confident85.1Confident1 Ų156.4 Ų56.41%0.00631%0.308CS..Hα-helixtrans-50.2-26.3169.2-26.233.2000113.9L28 F29 K30 L53 W58P26-L28 PolarHBondContact O-N 2.84Å; P26-F29 WeakPolarHBondContact O-CB 3.39Å; P26-F29 PolarHBondContact O-N 3.16Å; P26-F29 VanDerWaalsContact O-N 3.15Å; P26-K30 PolarHBondContact O-N 2.9Å; P26-L53 HydrophobicContact CB-CD1 4.22Å; P26-L53 HydrophobicContact CB-CD2 4.09Å; P26-L53 HydrophobicContact CB-CG 4.18Å; P26-L53 HydrophobicContact CG-CD1 4.3Å; P26-W58 HydrophobicContact CB-CZ2 4.26Å; P26-W58 HydrophobicContact CG-CD2 3.97Å; P26-W58 HydrophobicContact CG-CG 4.02Å; P26-W58 HydrophobicContact CG-CZ2 4.39Å
27T84.6Confident84.9Confident74 Ų7452.8 Ų52.845%0.45429%0.29SS..Hα-helixtrans-55.8-38.1175.9-53.90000112.5S25 K30 A31 N55S25-T27 PolarHBondContact O-N 2.93Å; S25-T27 WeakPolarHBondContact OG-CB 3.43Å; S25-T27 PolarHBondContact OG-N 2.89Å; S25-T27 PolarHBondContact OG-OG1 2.83Å; T27-K30 PolarHBondContact O-N 3.11Å; T27-A31 PolarHBondContact O-N 3.09Å; T27-N55 PolarHBondContact OG1-O 2.81Å
28L85.6Confident84.8Confident82 Ų8249.6 Ų49.643%0.42928%0.281SS..Hα-helixtrans-69.4-40.2179.6-158.7158000110.9K24 S25 P26 K30 A31 Q32K24-L28 HydrophobicContact CB-CD1 4.36Å; K24-L28 HydrophobicContact CD-CD1 3.54Å; S25-L28 PolarHBondContact O-N 3.04Å; P26-L28 PolarHBondContact O-N 2.84Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.3Å; L28-A31 PolarHBondContact O-N 2.97Å; L28-Q32 PolarHBondContact O-N 3.3Å
29F88Confident84.7Confident6 Ų649.3 Ų49.33%0.02628%0.279CS..Hα-helixtrans-62.2-41.1172.7-178.8-116.9000111.6V6 V8 V18 V20 P26 A31 Q32 L33 I46 L53 W58 L69V6-F29 HydrophobicContact CG2-CE2 4.38Å; V6-F29 HydrophobicContact CG2-CZ 4.25Å; V8-F29 HydrophobicContact CG2-CZ 4.1Å; V18-F29 HydrophobicContact CG1-CE2 3.67Å; V18-F29 HydrophobicContact CG1-CZ 4.49Å; V20-F29 HydrophobicContact CB-CD2 4.49Å; V20-F29 HydrophobicContact CG1-CD2 4.38Å; V20-F29 HydrophobicContact CG2-CD2 3.84Å; V20-F29 HydrophobicContact CG2-CE2 3.5Å; V20-F29 HydrophobicContact CG2-CZ 4.03Å; P26-F29 WeakPolarHBondContact O-CB 3.39Å; P26-F29 PolarHBondContact O-N 3.16Å; P26-F29 VanDerWaalsContact O-N 3.15Å; F29-A31 PolarHBondContact O-N 3.33Å; F29-Q32 WeakPolarHBondContact O-CB 3.31Å; F29-Q32 PolarHBondContact O-N 2.83Å; F29-L33 HydrophobicContact CD1-CD1 4.05Å; F29-L33 HydrophobicContact CE1-CD1 3.57Å; F29-L33 HydrophobicContact CE1-CG 4.3Å; F29-L33 HydrophobicContact CE2-CD1 4.43Å; F29-L33 HydrophobicContact CE2-CD2 4.49Å; F29-L33 HydrophobicContact CE2-CG 4.32Å; F29-L33 HydrophobicContact CZ-CD1 3.78Å; F29-L33 HydrophobicContact CZ-CD2 4.29Å; F29-L33 HydrophobicContact CZ-CG 4.12Å; F29-L33 WeakPolarHBondContact O-CG 3.3Å; F29-L33 PolarHBondContact O-N 2.69Å; F29-I46 HydrophobicContact CD1-CD1 4Å; F29-I46 HydrophobicContact CE1-CD1 3.95Å; F29-I46 HydrophobicContact CE1-CG2 4.41Å; F29-L53 HydrophobicContact CD1-CD2 4.18Å; F29-W58 HydrophobicContact CB-CH2 3.91Å; F29-W58 HydrophobicContact CB-CZ2 3.98Å; F29-W58 AromaticContact CD1-CH2 3.78Å; F29-W58 HydrophobicContact CD1-CH2 3.78Å; F29-W58 AromaticContact CG-CH2 3.92Å; F29-W58 HydrophobicContact CG-CH2 3.92Å; F29-W58 HydrophobicContact CG-CZ2 4.46Å; F29-L69 HydrophobicContact CE1-CD1 3.81Å; F29-L69 HydrophobicContact CZ-CD1 3.61Å
30K87Confident84.5Confident10 Ų1051.4 Ų51.44%0.04328%0.282CS..Hα-helixtrans-63-40.1173.5-67.1-174.3-179.6-1680112.7P26 T27 L28 Q32 L33 F34 P41 Q44 I46 N55P26-K30 PolarHBondContact O-N 2.9Å; T27-K30 PolarHBondContact O-N 3.11Å; L28-K30 VanDerWaalsContact C-N 3.33Å; L28-K30 PolarHBondContact O-N 3.3Å; K30-Q32 VanDerWaalsContact C-N 3.33Å; K30-Q32 PolarHBondContact O-N 2.93Å; K30-L33 PolarHBondContact O-N 3.19Å; K30-F34 PolarHBondContact O-N 2.84Å; K30-P41 HydrophobicContact CB-CB 3.91Å; K30-P41 HydrophobicContact CB-CG 4.5Å; K30-Q44 VanDerWaalsContact CB-OE1 3.28Å; K30-Q44 PolarHBondContact O-NE2 3.3Å; K30-Q44 PolarHBondContact O-OE1 3.49Å; K30-I46 HydrophobicContact CG-CD1 3.86Å; K30-N55 PolarHBondContact NZ-OD1 2.97Å
31A85.7Confident84.4Confident44 Ų4453.2 Ų53.236%0.36429%0.293SS..Hα-helixtrans-64.2-37.5175.900000112.4T27 L28 F29 F34 S35T27-A31 PolarHBondContact O-N 3.09Å; L28-A31 PolarHBondContact O-N 2.97Å; F29-A31 PolarHBondContact O-N 3.33Å; A31-F34 WeakPolarHBondContact O-CB 3.47Å; A31-F34 PolarHBondContact O-N 3.21Å; A31-S35 PolarHBondContact O-N 3.29Å; A31-S35 VanDerWaalsContact O-N 3.09Å; A31-S35 PolarHBondContact O-OG 3.09Å; A31-S35 VanDerWaalsContact O-OG 3.13Å
32Q87.1Confident84.2Confident60 Ų6058.1 Ų58.128%0.2832%0.316SS..Hα-helixtrans-64.5-44.4172.9-178177.9-6.700111.6L19 L28 F29 K30 F34 S35 L36L19-Q32 PolarHBondContact O-OE1 3.35Å; L19-Q32 VanDerWaalsContact O-OE1 3.04Å; L28-Q32 PolarHBondContact O-N 3.3Å; F29-Q32 WeakPolarHBondContact O-CB 3.31Å; F29-Q32 PolarHBondContact O-N 2.83Å; K30-Q32 VanDerWaalsContact C-N 3.33Å; K30-Q32 PolarHBondContact O-N 2.93Å; Q32-F34 VanDerWaalsContact C-N 3.27Å; Q32-F34 PolarHBondContact O-N 3.17Å; Q32-S35 WeakPolarHBondContact O-CB 3.32Å; Q32-S35 PolarHBondContact O-N 3.19Å; Q32-L36 PolarHBondContact O-N 3.4Å; Q32-L36 VanDerWaalsContact O-N 3.17Å
33L88.4Confident84.1Confident0 Ų058.9 Ų58.90%032%0.316CS..Hα-helixtrans-63.7-33.3174.7-71.1179.9000112.7V8 V18 F29 K30 S35 L36 T37 I46 L71V8-L33 HydrophobicContact CB-CD2 4.14Å; V8-L33 HydrophobicContact CG1-CD2 3.8Å; V8-L33 HydrophobicContact CG2-CD2 3.86Å; V18-L33 HydrophobicContact CG1-CD2 4.37Å; F29-L33 HydrophobicContact CD1-CD1 4.05Å; F29-L33 HydrophobicContact CE1-CD1 3.57Å; F29-L33 HydrophobicContact CE1-CG 4.3Å; F29-L33 HydrophobicContact CE2-CD1 4.43Å; F29-L33 HydrophobicContact CE2-CD2 4.49Å; F29-L33 HydrophobicContact CE2-CG 4.32Å; F29-L33 HydrophobicContact CZ-CD1 3.78Å; F29-L33 HydrophobicContact CZ-CD2 4.29Å; F29-L33 HydrophobicContact CZ-CG 4.12Å; F29-L33 WeakPolarHBondContact O-CG 3.3Å; F29-L33 PolarHBondContact O-N 2.69Å; K30-L33 PolarHBondContact O-N 3.19Å; L33-S35 VanDerWaalsContact C-N 3.34Å; L33-L36 PolarHBondContact O-N 2.86Å; L33-T37 WeakPolarHBondContact O-CB 3.27Å; L33-T37 PolarHBondContact O-N 3.13Å; L33-T37 PolarHBondContact O-OG1 3.22Å; L33-I46 HydrophobicContact CD1-CD1 3.52Å; L33-I46 HydrophobicContact CD1-CG1 3.89Å; L33-L71 HydrophobicContact CD1-CD1 4.27Å
34F87.2Confident84.3Confident87 Ų8754.5 Ų54.538%0.38229%0.292SS..Hα-helixtrans-63.4-43.1173.7170.9-122.8000111K30 A31 Q32 L36 G38 V39 R40 P41 Q44K30-F34 PolarHBondContact O-N 2.84Å; A31-F34 WeakPolarHBondContact O-CB 3.47Å; A31-F34 PolarHBondContact O-N 3.21Å; Q32-F34 VanDerWaalsContact C-N 3.27Å; Q32-F34 PolarHBondContact O-N 3.17Å; F34-L36 PolarHBondContact O-N 3.31Å; F34-G38 WeakPolarHBondContact CE2-O 3.43Å; F34-G38 VanDerWaalsContact O-CA 3.26Å; F34-G38 WeakPolarHBondContact O-CA 3.42Å; F34-G38 PolarHBondContact O-N 2.98Å; F34-V39 WeakPolarHBondContact CA-O 3.36Å; F34-V39 WeakPolarHBondContact CB-O 3.25Å; F34-V39 VanDerWaalsContact CD2-C 3.43Å; F34-V39 VanDerWaalsContact CD2-O 3.24Å; F34-V39 WeakPolarHBondContact CD2-O 3.32Å; F34-R40 HydrophobicContact CE2-CG 4.02Å; F34-P41 HydrophobicContact CB-CG 4.2Å; F34-Q44 VanDerWaalsContact N-NE2 3.16Å
35S83.6Confident84.4Confident103 Ų10356.1 Ų56.172%0.7230%0.299SS*.Hα-helixtrans-61.8-29.4175-53.80000113.1A31 Q32 L33A31-S35 PolarHBondContact O-N 3.29Å; A31-S35 VanDerWaalsContact O-N 3.09Å; A31-S35 PolarHBondContact O-OG 3.09Å; A31-S35 VanDerWaalsContact O-OG 3.13Å; Q32-S35 WeakPolarHBondContact O-CB 3.32Å; Q32-S35 PolarHBondContact O-N 3.19Å; L33-S35 VanDerWaalsContact C-N 3.34Å
36L85.7Confident84.6Confident76 Ų7653.5 Ų53.540%0.39828%0.281SS..Hα-helixtrans-88.7-35.7-179.4-68.2172.4000114F15 V18 Q32 L33 F34F15-L36 HydrophobicContact CD1-CB 4.15Å; F15-L36 HydrophobicContact CD1-CD1 4.48Å; F15-L36 HydrophobicContact CD1-CD2 4.34Å; F15-L36 HydrophobicContact CE1-CB 4.07Å; F15-L36 WeakPolarHBondContact CZ-O 3.48Å; V18-L36 HydrophobicContact CG1-CD1 4.29Å; V18-L36 HydrophobicContact CG2-CD1 4.23Å; Q32-L36 PolarHBondContact O-N 3.4Å; Q32-L36 VanDerWaalsContact O-N 3.17Å; L33-L36 PolarHBondContact O-N 2.86Å; F34-L36 PolarHBondContact O-N 3.31Å
37T84.5Confident84.7Confident8 Ų855 Ų555%0.04929%0.29CS..Hα-helixtrans-114.3-13.3-169.464.20000113.8W10 F15 L33 V39 L71 T75W10-T37 HydrophobicContact CB-CG2 4.23Å; W10-T37 HydrophobicContact CD2-CG2 4.16Å; W10-T37 HydrophobicContact CE3-CG2 3.92Å; W10-T37 HydrophobicContact CG-CG2 4.31Å; W10-T37 VanDerWaalsContact CH2-O 3.27Å; W10-T37 WeakPolarHBondContact CH2-O 3.32Å; W10-T37 WeakPolarHBondContact CZ3-O 3.4Å; F15-T37 HydrophobicContact CD2-CG2 4.21Å; F15-T37 HydrophobicContact CE2-CG2 3.58Å; F15-T37 HydrophobicContact CZ-CG2 3.98Å; L33-T37 WeakPolarHBondContact O-CB 3.27Å; L33-T37 PolarHBondContact O-N 3.13Å; L33-T37 PolarHBondContact O-OG1 3.22Å; T37-V39 PolarHBondContact O-N 2.8Å; T37-V39 PolarHBondContact OG1-N 3.27Å; T37-L71 HydrophobicContact CG2-CD2 3.61Å; T37-T75 WeakPolarHBondContact O-CG2 3.1Å
38G82Confident84.7Confident37 Ų3753 Ų5338%0.38127%0.274SS..  trans71-2.2-171.600000114.7F34 R40F34-G38 WeakPolarHBondContact CE2-O 3.43Å; F34-G38 VanDerWaalsContact O-CA 3.26Å; F34-G38 WeakPolarHBondContact O-CA 3.42Å; F34-G38 PolarHBondContact O-N 2.98Å; G38-R40 PolarHBondContact O-N 2.8Å
39V83.6Confident84.4Confident0 Ų058.5 Ų58.50%029%0.289CS..  trans-77.2116.9178.5-178.40000109.7W10 F34 T37 R43 Q44 T75W10-V39 HydrophobicContact CD2-CG2 4.36Å; W10-V39 HydrophobicContact CH2-CG2 4.38Å; W10-V39 HydrophobicContact CZ2-CG2 3.6Å; F34-V39 WeakPolarHBondContact CA-O 3.36Å; F34-V39 WeakPolarHBondContact CB-O 3.25Å; F34-V39 VanDerWaalsContact CD2-C 3.43Å; F34-V39 VanDerWaalsContact CD2-O 3.24Å; F34-V39 WeakPolarHBondContact CD2-O 3.32Å; T37-V39 PolarHBondContact O-N 2.8Å; T37-V39 PolarHBondContact OG1-N 3.27Å; V39-R43 HydrophobicContact CG1-CB 3.99Å; V39-Q44 HydrophobicContact CB-CG 4.15Å; V39-Q44 HydrophobicContact CG1-CG 3.7Å; V39-Q44 PolarHBondContact O-NE2 3.47Å; V39-T75 HydrophobicContact CG2-CG2 4.01Å
40R82.6Confident83.8Confident122 Ų12261.8 Ų61.846%0.4633%0.325SS..  trans-56.2141.6-179.9-65.6-172.3-172.8166.48.8111.7F34 G38 E42 R43 Q44 D77F34-R40 HydrophobicContact CE2-CG 4.02Å; G38-R40 PolarHBondContact O-N 2.8Å; R40-E42 PolarHBondContact O-N 3.3Å; R40-E42 VanDerWaalsContact O-N 3.08Å; R40-R43 WeakPolarHBondContact O-CA 3.45Å; R40-R43 WeakPolarHBondContact O-CB 3.41Å; R40-R43 PolarHBondContact O-N 2.99Å; R40-Q44 WeakPolarHBondContact O-CG 3.48Å; R40-Q44 PolarHBondContact O-N 3.48Å; R40-D77 IonicContact NH2-OD1 3.41Å
41P82.1Confident83.6Confident38 Ų3867 Ų6725%0.24735%0.347CS..G310 helixtrans-49.8-37.5-176.6-31.637.8000115.5K30 F34 R43 Q44K30-P41 HydrophobicContact CB-CB 3.91Å; K30-P41 HydrophobicContact CB-CG 4.5Å; F34-P41 HydrophobicContact CB-CG 4.2Å; P41-R43 PolarHBondContact O-N 3.29Å; P41-Q44 PolarHBondContact O-N 2.95Å
42E80.1Confident83.5Confident173 Ų17368.4 Ų68.481%0.80835%0.354SS*.G310 helixtrans-62.7-25.2176.7-64.6147.5-156.500113.5R40R40-E42 PolarHBondContact O-N 3.3Å; R40-E42 VanDerWaalsContact O-N 3.08Å
43R78.8Confident83.3Confident70 Ų7066.1 Ų66.126%0.26434%0.344SS..G310 helixtrans-101.31.8-177.7-60.6-170177.9-167.56.5113.2V39 R40 P41 K45 G73 G76V39-R43 HydrophobicContact CG1-CB 3.99Å; R40-R43 WeakPolarHBondContact O-CA 3.45Å; R40-R43 WeakPolarHBondContact O-CB 3.41Å; R40-R43 PolarHBondContact O-N 2.99Å; P41-R43 PolarHBondContact O-N 3.29Å; R43-K45 PolarHBondContact O-N 3.23Å; R43-G73 WeakPolarHBondContact O-CA 3.39Å; R43-G76 PolarHBondContact NH1-O 3.02Å
44Q83.4Confident82.7Confident8 Ų868 Ų684%0.03736%0.364CS..  trans-87.4108.6179.4-64.3-17812.700110K30 F34 V39 R40 P41 I46 L71K30-Q44 VanDerWaalsContact CB-OE1 3.28Å; K30-Q44 PolarHBondContact O-NE2 3.3Å; K30-Q44 PolarHBondContact O-OE1 3.49Å; F34-Q44 VanDerWaalsContact N-NE2 3.16Å; V39-Q44 HydrophobicContact CB-CG 4.15Å; V39-Q44 HydrophobicContact CG1-CG 3.7Å; V39-Q44 PolarHBondContact O-NE2 3.47Å; R40-Q44 WeakPolarHBondContact O-CG 3.48Å; R40-Q44 PolarHBondContact O-N 3.48Å; P41-Q44 PolarHBondContact O-N 2.95Å; Q44-I46 HydrophobicContact CB-CG1 4.49Å; Q44-L71 HydrophobicContact CB-CD1 3.66Å; Q44-L71 HydrophobicContact CG-CD1 3.82Å
45K85.5Confident82.1Confident123 Ų12368.3 Ų68.354%0.53537%0.369SS..EExtended strand (participates in β ladder)trans-98.9100.3164.3-170.7173.9-174.8174.70108.7R43 V47 L72R43-K45 PolarHBondContact O-N 3.23Å; K45-V47 HydrophobicContact CG-CG2 4.05Å; K45-L72 HydrophobicContact CB-CB 4.26Å; K45-L72 PolarHBondContact N-O 3.19Å; K45-L72 PolarHBondContact O-N 3.04Å
46I87.5Confident81.8Confident1 Ų170.2 Ų70.21%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-90.5121.2178.6-60.4154.1000107.8F29 K30 L33 Q44 S52 L53 L69 L70 L71F29-I46 HydrophobicContact CD1-CD1 4Å; F29-I46 HydrophobicContact CE1-CD1 3.95Å; F29-I46 HydrophobicContact CE1-CG2 4.41Å; K30-I46 HydrophobicContact CG-CD1 3.86Å; L33-I46 HydrophobicContact CD1-CD1 3.52Å; L33-I46 HydrophobicContact CD1-CG1 3.89Å; Q44-I46 HydrophobicContact CB-CG1 4.49Å; I46-S52 WeakPolarHBondContact O-CA 3.44Å; I46-L53 HydrophobicContact CB-CB 4.1Å; I46-L53 HydrophobicContact CB-CD2 4.4Å; I46-L53 HydrophobicContact CD1-CD2 3.88Å; I46-L53 HydrophobicContact CG2-CB 4.48Å; I46-L53 HydrophobicContact CG2-CD2 4.49Å; I46-L53 PolarHBondContact O-N 2.91Å; I46-L69 HydrophobicContact CG2-CB 4.24Å; I46-L69 HydrophobicContact CG2-CD1 4.27Å; I46-L70 WeakPolarHBondContact CA-O 3.45Å; I46-L71 HydrophobicContact CG1-CD1 3.65Å
47V86.4Confident81.4Confident34 Ų3469 Ų6921%0.20637%0.37CS..EExtended strand (participates in β ladder)trans-119.3134.2-175.4-177.30000110.4K45 K51 L70 L72K45-V47 HydrophobicContact CG-CG2 4.05Å; V47-K51 WeakPolarHBondContact CA-O 3.36Å; V47-L70 PolarHBondContact N-O 3.49Å; V47-L70 PolarHBondContact O-N 2.71Å; V47-L72 HydrophobicContact CG2-CD1 4.23Å
48W84.7Confident81.1Confident31 Ų3170.3 Ų70.312%0.11737%0.373CS..EExtended strand (participates in β ladder)trans-144.2126.9174.9-173.962.8000110.9G50 K51 F61 A62 L63 C67 L69W48-G50 PolarHBondContact O-N 3.3Å; W48-G50 VanDerWaalsContact O-N 3.11Å; W48-K51 PolarHBondContact N-O 3.15Å; W48-K51 PolarHBondContact O-N 3Å; W48-F61 HydrophobicContact CB-CE1 3.65Å; W48-F61 HydrophobicContact CB-CE2 4.26Å; W48-F61 HydrophobicContact CB-CZ 3.42Å; W48-F61 VanDerWaalsContact CB-CZ 3.42Å; W48-F61 HydrophobicContact CG-CE1 4.48Å; W48-A62 WeakPolarHBondContact CH2-O 3.44Å; W48-A62 WeakPolarHBondContact CZ3-O 3.49Å; W48-L63 HydrophobicContact CD2-CD2 4.33Å; W48-L63 HydrophobicContact CE3-CD2 4.41Å; W48-C67 HydrophobicContact CZ2-CB 4.16Å; W48-L69 HydrophobicContact CB-CD2 3.53Å; W48-L69 HydrophobicContact CG-CD2 3.64Å
49R79.6Confident80.7Confident198 Ų19875.1 Ų75.175%0.74739%0.39SS*.THydrogen-bonded Turntrans4543.4-177.9-67.5-172.5170.1-154.9-4.9113.7K51R49-K51 VanDerWaalsContact C-N 3.26Å; R49-K51 PolarHBondContact O-N 3.01Å
50G75.4Confident80Confident75 Ų7577.5 Ų77.577%0.77342%0.415SS*.THydrogen-bonded Turntrans79-5.6178.800000115.8W48W48-G50 PolarHBondContact O-N 3.3Å; W48-G50 VanDerWaalsContact O-N 3.11Å
51K81.6Confident79.7Confident120 Ų12072.1 Ų72.152%0.52240%0.395SS..EExtended strand (participates in β ladder)trans-95.9146.8173.8-64.1-173.3-179.8-173.70110.5V47 W48 R49 G60 F61V47-K51 WeakPolarHBondContact CA-O 3.36Å; W48-K51 PolarHBondContact N-O 3.15Å; W48-K51 PolarHBondContact O-N 3Å; R49-K51 VanDerWaalsContact C-N 3.26Å; R49-K51 PolarHBondContact O-N 3.01Å; K51-G60 VanDerWaalsContact CD-O 3.25Å; K51-G60 WeakPolarHBondContact CD-O 3.34Å; K51-G60 PolarHBondContact NZ-O 3.4Å; K51-G60 VanDerWaalsContact NZ-O 3.09Å; K51-F61 HydrophobicContact CB-CD2 4.11Å; K51-F61 HydrophobicContact CB-CE2 3.97Å; K51-F61 VanDerWaalsContact O-CE2 3.3Å; K51-F61 WeakPolarHBondContact O-CE2 3.24Å
52S83.2Confident79.3Confident72 Ų7274 Ų7450%0.50341%0.414SS..EExtended strand (participates in β ladder)trans-105.7137.7172.853.60000111.3I46 F61I46-S52 WeakPolarHBondContact O-CA 3.44Å; S52-F61 VanDerWaalsContact C-CE2 3.47Å
53L83Confident79.2Confident12 Ų1266.4 Ų66.46%0.06338%0.379CS..  trans-72.3125.7177.3-174.662.1000110.5P26 F29 I46 W58 F61P26-L53 HydrophobicContact CB-CD1 4.22Å; P26-L53 HydrophobicContact CB-CD2 4.09Å; P26-L53 HydrophobicContact CB-CG 4.18Å; P26-L53 HydrophobicContact CG-CD1 4.3Å; F29-L53 HydrophobicContact CD1-CD2 4.18Å; I46-L53 HydrophobicContact CB-CB 4.1Å; I46-L53 HydrophobicContact CB-CD2 4.4Å; I46-L53 HydrophobicContact CD1-CD2 3.88Å; I46-L53 HydrophobicContact CG2-CB 4.48Å; I46-L53 HydrophobicContact CG2-CD2 4.49Å; I46-L53 PolarHBondContact O-N 2.91Å; L53-W58 HydrophobicContact CD1-CD2 4.24Å; L53-W58 HydrophobicContact CD1-CE3 3.52Å; L53-W58 HydrophobicContact CD1-CZ3 3.72Å; L53-W58 HydrophobicContact CD2-CE3 4.37Å; L53-W58 HydrophobicContact CD2-CH2 4.02Å; L53-W58 HydrophobicContact CD2-CZ3 3.72Å; L53-W58 HydrophobicContact CG-CZ3 4.39Å; L53-F61 HydrophobicContact CB-CD2 4.35Å; L53-F61 HydrophobicContact CB-CE1 4.31Å; L53-F61 HydrophobicContact CB-CE2 4.03Å; L53-F61 HydrophobicContact CB-CZ 4Å; L53-F61 HydrophobicContact CD1-CB 4.2Å; L53-F61 HydrophobicContact CD1-CD1 4.09Å; L53-F61 HydrophobicContact CD1-CD2 4.35Å; L53-F61 HydrophobicContact CD1-CG 3.97Å; L53-F61 VanDerWaalsContact N-CE2 3.33Å
54G77Confident79.2Confident41 Ų4169.1 Ų69.142%0.42339%0.392SS..  trans-71.7-175.2172.100000113.1
55N74.9Confident79.1Confident92 Ų9273.4 Ų73.449%0.49242%0.421SS..SBendtrans-88.5-38.5177.5-70.5-16.3000112.4T27 K30T27-N55 PolarHBondContact OG1-O 2.81Å; K30-N55 PolarHBondContact NZ-OD1 2.97Å
56D76.4Confident78.9Confident144 Ų14469.9 Ų69.977%0.7742%0.419SS*.SBendtrans-100-31.7-160.5-52.8-45.6000113.5
57S76.9Confident78.8Confident51 Ų5170.6 Ų70.636%0.35742%0.424SS..  trans-140.2158.5-17874.50000113.7D59S57-D59 WeakPolarHBondContact CB-OD2 3.48Å; S57-D59 PolarHBondContact O-N 2.65Å; S57-D59 WeakPolarHBondContact OG-CB 3.22Å; S57-D59 PolarHBondContact OG-OD2 2.94Å
58W78.5Confident78.7Confident34 Ų3473.6 Ų73.613%0.12944%0.436CS..  trans-83.811.1172.4-67.5101.1000112.7V20 L22 K24 P26 F29 L53 G60 F61 L63V20-W58 HydrophobicContact CG1-CH2 3.38Å; V20-W58 HydrophobicContact CG1-CZ2 3.68Å; V20-W58 HydrophobicContact CG1-CZ3 4.08Å; L22-W58 HydrophobicContact CD2-CD2 3.85Å; L22-W58 HydrophobicContact CD2-CE3 4.02Å; L22-W58 HydrophobicContact CD2-CG 4.12Å; K24-W58 PolarHBondContact O-NE1 3.45Å; P26-W58 HydrophobicContact CB-CZ2 4.26Å; P26-W58 HydrophobicContact CG-CD2 3.97Å; P26-W58 HydrophobicContact CG-CG 4.02Å; P26-W58 HydrophobicContact CG-CZ2 4.39Å; F29-W58 HydrophobicContact CB-CH2 3.91Å; F29-W58 HydrophobicContact CB-CZ2 3.98Å; F29-W58 AromaticContact CD1-CH2 3.78Å; F29-W58 HydrophobicContact CD1-CH2 3.78Å; F29-W58 AromaticContact CG-CH2 3.92Å; F29-W58 HydrophobicContact CG-CH2 3.92Å; F29-W58 HydrophobicContact CG-CZ2 4.46Å; L53-W58 HydrophobicContact CD1-CD2 4.24Å; L53-W58 HydrophobicContact CD1-CE3 3.52Å; L53-W58 HydrophobicContact CD1-CZ3 3.72Å; L53-W58 HydrophobicContact CD2-CE3 4.37Å; L53-W58 HydrophobicContact CD2-CH2 4.02Å; L53-W58 HydrophobicContact CD2-CZ3 3.72Å; L53-W58 HydrophobicContact CG-CZ3 4.39Å; W58-G60 PolarHBondContact O-N 2.78Å; W58-F61 HydrophobicContact CE3-CD1 4.48Å; W58-F61 HydrophobicContact CZ3-CD1 4.5Å; W58-F61 WeakPolarHBondContact O-CB 3.26Å; W58-F61 PolarHBondContact O-N 2.82Å; W58-L63 HydrophobicContact CE3-CD1 4.12Å; W58-L63 HydrophobicContact CH2-CD1 4.2Å; W58-L63 HydrophobicContact CZ3-CD1 3.57Å
59D72.6Confident78.9Confident138 Ų13872.1 Ų72.174%0.73843%0.431SS*.THydrogen-bonded Turntrans-60.8127.2-169.9-64.7-36.1000111.9S57 F61S57-D59 WeakPolarHBondContact CB-OD2 3.48Å; S57-D59 PolarHBondContact O-N 2.65Å; S57-D59 WeakPolarHBondContact OG-CB 3.22Å; S57-D59 PolarHBondContact OG-OD2 2.94Å; D59-F61 PolarHBondContact O-N 3.42Å
60G69Low79.3Confident51 Ų5166 Ų6653%0.52641%0.413SS..THydrogen-bonded Turntrans75.51.5-177.400000115.4K51 W58K51-G60 VanDerWaalsContact CD-O 3.25Å; K51-G60 WeakPolarHBondContact CD-O 3.34Å; K51-G60 PolarHBondContact NZ-O 3.4Å; K51-G60 VanDerWaalsContact NZ-O 3.09Å; W58-G60 PolarHBondContact O-N 2.78Å
61F76.7Confident80Confident8 Ų862.5 Ų62.54%0.03538%0.376CS..  trans-106.662.8-179.5-137-94.9000111.4W48 K51 S52 L53 W58 D59 L63 L69W48-F61 HydrophobicContact CB-CE1 3.65Å; W48-F61 HydrophobicContact CB-CE2 4.26Å; W48-F61 HydrophobicContact CB-CZ 3.42Å; W48-F61 VanDerWaalsContact CB-CZ 3.42Å; W48-F61 HydrophobicContact CG-CE1 4.48Å; K51-F61 HydrophobicContact CB-CD2 4.11Å; K51-F61 HydrophobicContact CB-CE2 3.97Å; K51-F61 VanDerWaalsContact O-CE2 3.3Å; K51-F61 WeakPolarHBondContact O-CE2 3.24Å; S52-F61 VanDerWaalsContact C-CE2 3.47Å; L53-F61 HydrophobicContact CB-CD2 4.35Å; L53-F61 HydrophobicContact CB-CE1 4.31Å; L53-F61 HydrophobicContact CB-CE2 4.03Å; L53-F61 HydrophobicContact CB-CZ 4Å; L53-F61 HydrophobicContact CD1-CB 4.2Å; L53-F61 HydrophobicContact CD1-CD1 4.09Å; L53-F61 HydrophobicContact CD1-CD2 4.35Å; L53-F61 HydrophobicContact CD1-CG 3.97Å; L53-F61 VanDerWaalsContact N-CE2 3.33Å; W58-F61 HydrophobicContact CE3-CD1 4.48Å; W58-F61 HydrophobicContact CZ3-CD1 4.5Å; W58-F61 WeakPolarHBondContact O-CB 3.26Å; W58-F61 PolarHBondContact O-N 2.82Å; D59-F61 PolarHBondContact O-N 3.42Å; F61-L63 HydrophobicContact CD1-CD2 3.81Å; F61-L63 HydrophobicContact CD1-CG 4.09Å; F61-L63 HydrophobicContact CE1-CD2 3.89Å; F61-L63 PolarHBondContact O-N 3.08Å; F61-L69 HydrophobicContact CE1-CD2 4.1Å
62A74Confident80.1Confident77 Ų7760.9 Ų60.964%0.63637%0.373SS*.  trans-7382.5-175.600000112.9W48W48-A62 WeakPolarHBondContact CH2-O 3.44Å; W48-A62 WeakPolarHBondContact CZ3-O 3.49Å
63L77.9Confident80.1Confident14 Ų1458.9 Ų58.97%0.07336%0.363CS..PPolyproline II helixtrans-64.5137.5-179.2-66.2175000112.5L4 V20 L22 W48 W58 F61 L69L4-L63 HydrophobicContact CD1-CB 4.15Å; V20-L63 HydrophobicContact CB-CD1 4.35Å; V20-L63 HydrophobicContact CG1-CD1 3.72Å; V20-L63 HydrophobicContact CG2-CD1 4.33Å; L22-L63 HydrophobicContact CD2-CD1 4.15Å; W48-L63 HydrophobicContact CD2-CD2 4.33Å; W48-L63 HydrophobicContact CE3-CD2 4.41Å; W58-L63 HydrophobicContact CE3-CD1 4.12Å; W58-L63 HydrophobicContact CH2-CD1 4.2Å; W58-L63 HydrophobicContact CZ3-CD1 3.57Å; F61-L63 HydrophobicContact CD1-CD2 3.81Å; F61-L63 HydrophobicContact CD1-CG 4.09Å; F61-L63 HydrophobicContact CE1-CD2 3.89Å; F61-L63 PolarHBondContact O-N 3.08Å; L63-L69 HydrophobicContact CD2-CD1 4.34Å; L63-L69 HydrophobicContact CD2-CD2 3.62Å; L63-L69 HydrophobicContact CD2-CG 4.47Å
64K79.6Confident79.8Confident127 Ų12761.5 Ų61.555%0.55238%0.382SS*.PPolyproline II helixtrans-103.1147.2169.6-65.6-171.3178.7-169.20110.3G66 C67K64-G66 PolarHBondContact O-N 2.87Å; K64-C67 VanDerWaalsContact O-CB 3.32Å; K64-C67 WeakPolarHBondContact O-CB 3.4Å; K64-C67 PolarHBondContact O-N 3.44Å; K64-C67 VanDerWaalsContact O-N 3.17Å; K64-C67 PolarHBondContact O-SG 2.76Å
65P81.5Confident79.6Confident99 Ų9963.8 Ų63.864%0.64339%0.388SS*.THydrogen-bonded Turntrans-52.1135.7169.2-18.325.9000110.9L4 C67L4-P65 HydrophobicContact CD2-CB 4.34Å; L4-P65 HydrophobicContact CD2-CG 3.62Å; P65-C67 VanDerWaalsContact C-N 3.28Å; P65-C67 PolarHBondContact O-N 3.25Å
66G80.7Confident78.9Confident48 Ų4861.2 Ų61.250%0.49538%0.384SS..THydrogen-bonded Turntrans75.54.5179.300000115.6R5 K64R5-G66 PolarHBondContact O-N 2.9Å; K64-G66 PolarHBondContact O-N 2.87Å
67C85Confident78Confident16 Ų1660.1 Ų60.111%0.10838%0.378CS..PPolyproline II helixtrans-69.3148.6178.873.20000112.4V6 Q7 W48 K64 P65V6-C67 WeakPolarHBondContact CB-O 3.48Å; Q7-C67 PolarHBondContact N-O 3.42Å; W48-C67 HydrophobicContact CZ2-CB 4.16Å; K64-C67 VanDerWaalsContact O-CB 3.32Å; K64-C67 WeakPolarHBondContact O-CB 3.4Å; K64-C67 PolarHBondContact O-N 3.44Å; K64-C67 VanDerWaalsContact O-N 3.17Å; K64-C67 PolarHBondContact O-SG 2.76Å; P65-C67 VanDerWaalsContact C-N 3.28Å; P65-C67 PolarHBondContact O-N 3.25Å
68Q85.7Confident76.9Confident97 Ų9763.7 Ų63.745%0.45339%0.392SS..EExtended strand (participates in β ladder)trans-96.9119.7177.5-172.4179.9-6.300111.2Q7Q7-Q68 HydrophobicContact CB-CB 4.37Å; Q7-Q68 HydrophobicContact CB-CG 4.36Å; Q7-Q68 CarbonylContact O-C 3.53Å; Q7-Q68 WeakPolarHBondContact O-CA 3.48Å
69L88.2Confident75.8Confident1 Ų167.7 Ų67.71%0.00542%0.422CS..EExtended strand (participates in β ladder)trans-95.6137.8174.5-58.1178.4000109.8V6 Q7 V8 K9 F29 I46 W48 F61 L63V6-L69 HydrophobicContact CB-CD1 4.26Å; V6-L69 HydrophobicContact CG2-CD1 3.68Å; V6-L69 HydrophobicContact CG2-CG 4.36Å; Q7-L69 PolarHBondContact O-N 3.27Å; V8-L69 CarbonylContact C-O 3.59Å; V8-L69 WeakPolarHBondContact CA-O 3.25Å; V8-L69 HydrophobicContact CG2-CB 4.14Å; V8-L69 HydrophobicContact CG2-CD1 4.24Å; K9-L69 PolarHBondContact N-O 3.35Å; F29-L69 HydrophobicContact CE1-CD1 3.81Å; F29-L69 HydrophobicContact CZ-CD1 3.61Å; I46-L69 HydrophobicContact CG2-CB 4.24Å; I46-L69 HydrophobicContact CG2-CD1 4.27Å; W48-L69 HydrophobicContact CB-CD2 3.53Å; W48-L69 HydrophobicContact CG-CD2 3.64Å; F61-L69 HydrophobicContact CE1-CD2 4.1Å; L63-L69 HydrophobicContact CD2-CD1 4.34Å; L63-L69 HydrophobicContact CD2-CD2 3.62Å; L63-L69 HydrophobicContact CD2-CG 4.47Å
70L88.9Confident74.9Confident70 Ų7064 Ų6437%0.36642%0.418SS..EExtended strand (participates in β ladder)trans-97.2116.8171.5-175.569.8000108.7K9 I46 V47 L72K9-L70 HydrophobicContact CB-CD1 4.44Å; K9-L70 HydrophobicContact CG-CD1 4.42Å; I46-L70 WeakPolarHBondContact CA-O 3.45Å; V47-L70 PolarHBondContact N-O 3.49Å; V47-L70 PolarHBondContact O-N 2.71Å; L70-L72 HydrophobicContact CD2-CD1 4.39Å; L70-L72 HydrophobicContact CD2-CD2 4.04Å; L70-L72 HydrophobicContact CD2-CG 4.18Å; L70-L72 HydrophobicContact CG-CD2 4.21Å; L70-L72 HydrophobicContact CG-CG 4.24Å
71L88.5Confident74Confident1 Ų165.8 Ų65.81%0.00543%0.427CS..EExtended strand (participates in β ladder)trans-89.9123.4169.2-179.668.8000108.7V8 K9 W10 L33 T37 Q44 I46V8-L71 HydrophobicContact CG1-CB 3.88Å; K9-L71 PolarHBondContact O-N 3.17Å; W10-L71 HydrophobicContact CB-CB 4.09Å; W10-L71 HydrophobicContact CB-CD2 4.07Å; W10-L71 HydrophobicContact CB-CG 4.45Å; W10-L71 HydrophobicContact CG-CB 4.48Å; W10-L71 HydrophobicContact CG-CD2 3.97Å; W10-L71 HydrophobicContact CG-CG 4.39Å; L33-L71 HydrophobicContact CD1-CD1 4.27Å; T37-L71 HydrophobicContact CG2-CD2 3.61Å; Q44-L71 HydrophobicContact CB-CD1 3.66Å; Q44-L71 HydrophobicContact CG-CD1 3.82Å; I46-L71 HydrophobicContact CG1-CD1 3.65Å
72L83.9Confident72.7Confident86 Ų8670.2 Ų70.245%0.4546%0.456SS..EExtended strand (participates in β ladder)trans-111.8124.9170-62.5170.6000108.4K45 V47 L70K45-L72 HydrophobicContact CB-CB 4.26Å; K45-L72 PolarHBondContact N-O 3.19Å; K45-L72 PolarHBondContact O-N 3.04Å; V47-L72 HydrophobicContact CG2-CD1 4.23Å; L70-L72 HydrophobicContact CD2-CD1 4.39Å; L70-L72 HydrophobicContact CD2-CD2 4.04Å; L70-L72 HydrophobicContact CD2-CG 4.18Å; L70-L72 HydrophobicContact CG-CD2 4.21Å; L70-L72 HydrophobicContact CG-CG 4.24Å
73G83Confident72.1Confident29 Ų2973.7 Ų73.730%0.29947%0.47SS..  trans171.6156.117700000111W10 R43W10-G73 PolarHBondContact NE1-O 2.78Å; R43-G73 WeakPolarHBondContact O-CA 3.39Å
74S78Confident70.9Confident67 Ų6781.8 Ų81.847%0.46950%0.504SS..  trans-109142.7178.651.40000110.6
75T72Confident69.6Low89 Ų8984.8 Ų84.855%0.54652%0.517SS..SBendtrans-81.1-21.1174.942.40000113.2W10 T37 V39W10-T75 HydrophobicContact CH2-CG2 3.42Å; W10-T75 VanDerWaalsContact CH2-CG2 3.42Å; W10-T75 HydrophobicContact CZ2-CG2 3.64Å; T37-T75 WeakPolarHBondContact O-CG2 3.1Å; V39-T75 HydrophobicContact CG2-CG2 4.01Å
76G60.6Low68.4Low39 Ų3985.4 Ų85.440%0.40252%0.519SS..SBendtrans-79.2144.8-179.100000112.7R43 L78R43-G76 PolarHBondContact NH1-O 3.02Å; G76-L78 PolarHBondContact O-N 3.28Å
77D57Low67.2Low121 Ų12186.9 Ų86.965%0.64752%0.519SS*.PPolyproline II helixtrans-51.6137.1163.4-71.3-43.5000108.9R40R40-D77 IonicContact NH2-OD1 3.41Å
78L54.2Low66.1Low126 Ų12692.3 Ų92.366%0.6654%0.541SS*.PPolyproline II helixtrans-55.4133.1167.5-81.1158.2000105.3G76 G80G76-L78 PolarHBondContact O-N 3.28Å; L78-G80 PolarHBondContact O-N 2.85Å
79P54.6Low64.8Low117 Ų11790.8 Ų90.876%0.7654%0.538SS*.PPolyproline II helixtrans-52.7119.2159.723.9-29.6000104.5A81P79-A81 PolarHBondContact O-N 2.95Å
80G53.2Low63.6Low62 Ų6298.1 Ų98.164%0.63957%0.572SS**PPolyproline II helixtrans-47.5134.3177.700000107.2L78 P82L78-G80 PolarHBondContact O-N 2.85Å; G80-P82 VanDerWaalsContact O-N 3.12Å
81A52Low62.7Low87 Ų87100.7 Ų100.772%0.71959%0.586SS**  trans-42.7129.6174.800000107.3P79 V83P79-A81 PolarHBondContact O-N 2.95Å; A81-V83 PolarHBondContact O-N 2.69Å
82P48.2Very low61.7Low101 Ų101102.7 Ų102.766%0.65660%0.596SS**  trans-49.6118.9-171.516.8-29.8000108.1G80 K84G80-P82 VanDerWaalsContact O-N 3.12Å; P82-K84 CarbonylContact O-C 3.5Å; P82-K84 PolarHBondContact O-N 3.42Å
83V61.6Low61.1Low151 Ų151102 Ų10292%0.91560%0.595SS**SBendtrans-56.5-22.3-173.1179.70000110.7A81A81-V83 PolarHBondContact O-N 2.69Å
84K53.2Low60.3Low183 Ų183103.9 Ų103.980%0.79660%0.602SS**SBendtrans-97.4106.2168.9-62.7-179.6-178.6178.80109P82 T86P82-K84 CarbonylContact O-C 3.5Å; P82-K84 PolarHBondContact O-N 3.42Å; K84-T86 PolarHBondContact O-N 2.98Å
85K52.3Low59.7Low191 Ų191101.9 Ų101.983%0.8359%0.59SS**  trans-47.4132.4160.7-73.6-178.8177.3179.30107.9V87K85-V87 PolarHBondContact O-N 3.47Å
86T56.1Low59.7Low111 Ų111102.4 Ų102.468%0.68159%0.586SS**  trans-59.4103.9171.6-42.30000107.5K84K84-T86 PolarHBondContact O-N 2.98Å
87V54.8Low59.9Low80 Ų80101.8 Ų101.849%0.48558%0.575SS.*  trans-84.1117.5174.1-178.50000106.3K85 D91 M92K85-V87 PolarHBondContact O-N 3.47Å; V87-D91 HydrophobicContact CG1-CB 4.46Å; V87-M92 HydrophobicContact CB-CE 3.84Å; V87-M92 HydrophobicContact CG1-CE 3.71Å; V87-M92 HydrophobicContact CG1-CG 3.6Å; V87-M92 WeakPolarHBondContact O-CE 3.32Å
88F61.2Low60.2Low130 Ų13096.6 Ų96.657%0.5755%0.547SS*.  trans-71.9151.1174.6-70.1-83.1000109.8E90 D91F88-E90 WeakPolarHBondContact CB-OE2 3.34Å; F88-E90 PolarHBondContact O-N 3.38Å; F88-D91 PolarHBondContact O-N 2.93Å; F88-D91 VanDerWaalsContact O-N 3.15Å
89V58.8Low61Low65 Ų6597.3 Ų97.339%0.39454%0.544SS..G310 helixtrans-62.2-28.2-174.91760000111.2D91 M92 V97V89-D91 VanDerWaalsContact C-N 3.34Å; V89-M92 PolarHBondContact O-N 2.88Å; V89-V97 HydrophobicContact CG1-CG1 4.43Å; V89-V97 HydrophobicContact CG1-CG2 4.34Å
90E63.9Low61.5Low155 Ų15594 Ų9472%0.72453%0.527SS*.G310 helixtrans-69.8-27.6179.8-62.276.2-169.900113.2F88F88-E90 WeakPolarHBondContact CB-OE2 3.34Å; F88-E90 PolarHBondContact O-N 3.38Å
91D69.4Low62.2Low124 Ų12494.5 Ų94.566%0.66351%0.511SS*.G310 helixtrans-91.4-5.3-179.3-63.5-36.4000112.8V87 F88 V89V87-D91 HydrophobicContact CG1-CB 4.46Å; F88-D91 PolarHBondContact O-N 2.93Å; F88-D91 VanDerWaalsContact O-N 3.15Å; V89-D91 VanDerWaalsContact C-N 3.34Å
92M66.8Low63.1Low43 Ų4393.1 Ų93.121%0.21249%0.492CS..SBendtrans-82143.6-178.4-69.9-174.4-174.200111.4V87 V89 Q96 V97 A100V87-M92 HydrophobicContact CB-CE 3.84Å; V87-M92 HydrophobicContact CG1-CE 3.71Å; V87-M92 HydrophobicContact CG1-CG 3.6Å; V87-M92 WeakPolarHBondContact O-CE 3.32Å; V89-M92 PolarHBondContact O-N 2.88Å; M92-Q96 HydrophobicContact CB-CB 3.83Å; M92-Q96 HydrophobicContact CG-CB 4.21Å; M92-Q96 HydrophobicContact SD-CB 4.46Å; M92-V97 HydrophobicContact CB-CG2 3.55Å; M92-A100 HydrophobicContact CE-CB 4.26Å; M92-A100 HydrophobicContact SD-CB 3.78Å
93T71.4Confident64.5Low71 Ų7189.4 Ų89.444%0.43647%0.466SS..  trans-64154.8166.169.60000110.3A95 Q96 V97T93-A95 PolarHBondContact O-N 2.95Å; T93-A95 VanDerWaalsContact O-N 3.11Å; T93-Q96 CarbonylContact O-C 3.58Å; T93-Q96 WeakPolarHBondContact O-CA 3.32Å; T93-Q96 WeakPolarHBondContact O-CB 3.17Å; T93-Q96 PolarHBondContact O-N 3.47Å; T93-Q96 VanDerWaalsContact OG1-CG 3.3Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.42Å; T93-Q96 PolarHBondContact OG1-N 3.36Å; T93-V97 PolarHBondContact O-N 2.99Å
94P67.4Low65.4Low69 Ų6984 Ų8445%0.44843%0.432SS..Hα-helixtrans-51.6-38.6178-29.135.4000113.7V97 I98 E167P94-V97 WeakPolarHBondContact O-CB 3.23Å; P94-V97 PolarHBondContact O-N 3.31Å; P94-I98 WeakPolarHBondContact O-CG1 3.39Å; P94-I98 PolarHBondContact O-N 3.22Å; P94-E167 HydrophobicContact CB-CB 4.3Å; P94-E167 HydrophobicContact CB-CG 3.95Å
95A65Low67.1Low25 Ų2575.2 Ų75.221%0.20739%0.394CS..Hα-helixtrans-66.5-39.9174.100000113.2T93 V97 I98 K99 E165T93-A95 PolarHBondContact O-N 2.95Å; T93-A95 VanDerWaalsContact O-N 3.11Å; A95-V97 VanDerWaalsContact C-N 3.33Å; A95-I98 PolarHBondContact O-N 3.34Å; A95-K99 PolarHBondContact O-N 2.91Å; A95-E165 WeakPolarHBondContact CB-O 3.21Å
96Q72Confident68.9Low100 Ų10066.1 Ų66.147%0.46735%0.354SS..Hα-helixtrans-65-38.2173.5-74.1170.3-9.100111.5M92 T93 K99 A100M92-Q96 HydrophobicContact CB-CB 3.83Å; M92-Q96 HydrophobicContact CG-CB 4.21Å; M92-Q96 HydrophobicContact SD-CB 4.46Å; T93-Q96 CarbonylContact O-C 3.58Å; T93-Q96 WeakPolarHBondContact O-CA 3.32Å; T93-Q96 WeakPolarHBondContact O-CB 3.17Å; T93-Q96 PolarHBondContact O-N 3.47Å; T93-Q96 VanDerWaalsContact OG1-CG 3.3Å; T93-Q96 WeakPolarHBondContact OG1-CG 3.42Å; T93-Q96 PolarHBondContact OG1-N 3.36Å; Q96-K99 PolarHBondContact O-N 2.93Å; Q96-A100 WeakPolarHBondContact O-CB 3.22Å; Q96-A100 PolarHBondContact O-N 3.12Å
97V64.3Low70.8Confident26 Ų2660.9 Ų60.916%0.15832%0.322CS..Hα-helixtrans-61.8-45.8173.8176.20000110.6V89 M92 T93 P94 A95 K99 A100 K101V89-V97 HydrophobicContact CG1-CG1 4.43Å; V89-V97 HydrophobicContact CG1-CG2 4.34Å; M92-V97 HydrophobicContact CB-CG2 3.55Å; T93-V97 PolarHBondContact O-N 2.99Å; P94-V97 WeakPolarHBondContact O-CB 3.23Å; P94-V97 PolarHBondContact O-N 3.31Å; A95-V97 VanDerWaalsContact C-N 3.33Å; V97-K99 PolarHBondContact O-N 2.91Å; V97-A100 PolarHBondContact O-N 2.83Å; V97-K101 HydrophobicContact CG1-CD 3.67Å; V97-K101 HydrophobicContact CG1-CG 4.2Å; V97-K101 WeakPolarHBondContact O-CB 3.35Å; V97-K101 WeakPolarHBondContact O-CG 3.42Å; V97-K101 PolarHBondContact O-N 3.08Å
98I64.6Low72.8Confident12 Ų1261.3 Ų61.36%0.06232%0.318CS..Hα-helixtrans-57.9-49.7177.1-74.1164.9000110.7P94 A95 K101 D102 L103 E167P94-I98 WeakPolarHBondContact O-CG1 3.39Å; P94-I98 PolarHBondContact O-N 3.22Å; A95-I98 PolarHBondContact O-N 3.34Å; I98-K101 PolarHBondContact O-N 3.24Å; I98-D102 WeakPolarHBondContact O-CA 3.29Å; I98-D102 PolarHBondContact O-N 3.47Å; I98-L103 HydrophobicContact CB-CB 4.31Å; I98-L103 HydrophobicContact CG1-CB 4.18Å; I98-L103 HydrophobicContact CG1-CD1 4.29Å; I98-L103 HydrophobicContact CG2-CB 4.12Å; I98-L103 WeakPolarHBondContact CG2-O 3.42Å; I98-L103 PolarHBondContact O-N 3.23Å; I98-E167 VanDerWaalsContact CD1-CA 3.5Å; I98-E167 HydrophobicContact CD1-CB 4.31Å; I98-E167 HydrophobicContact CD1-CG 4.22Å
99K70.2Confident74.3Confident141 Ų14157.3 Ų57.361%0.61330%0.302SS*.Hα-helixtrans-65.6-40.3179.1-167.9169.1-175167.30112.7A95 Q96 V97A95-K99 PolarHBondContact O-N 2.91Å; Q96-K99 PolarHBondContact O-N 2.93Å; V97-K99 PolarHBondContact O-N 2.91Å
100A65.2Low76Confident47 Ų4757.5 Ų57.539%0.38830%0.301SS..Hα-helixtrans-71.9-31.6179.400000113.1M92 Q96 V97 R426M92-A100 HydrophobicContact CE-CB 4.26Å; M92-A100 HydrophobicContact SD-CB 3.78Å; Q96-A100 WeakPolarHBondContact O-CB 3.22Å; Q96-A100 PolarHBondContact O-N 3.12Å; V97-A100 PolarHBondContact O-N 2.83Å; A100-R426 PolarHBondContact O-NH2 3.03Å
101K67.8Low77.1Confident73 Ų7352.2 Ų52.232%0.31729%0.287SS..Hα-helixtrans-952.8178.5-69.1-174.5-178.9176.10113.4V97 I98 L103V97-K101 HydrophobicContact CG1-CD 3.67Å; V97-K101 HydrophobicContact CG1-CG 4.2Å; V97-K101 WeakPolarHBondContact O-CB 3.35Å; V97-K101 WeakPolarHBondContact O-CG 3.42Å; V97-K101 PolarHBondContact O-N 3.08Å; I98-K101 PolarHBondContact O-N 3.24Å; K101-L103 HydrophobicContact CB-CD1 4.06Å; K101-L103 HydrophobicContact CB-CD2 4.07Å; K101-L103 HydrophobicContact CB-CG 3.66Å; K101-L103 HydrophobicContact CD-CD1 4.26Å; K101-L103 PolarHBondContact O-N 3.05Å
102D70.7Confident78.2Confident58 Ų5848.5 Ų48.531%0.3127%0.268SS..THydrogen-bonded Turntrans52.235.5-174.3-81.2-64.5000113.2I98 K425I98-D102 WeakPolarHBondContact O-CA 3.29Å; I98-D102 PolarHBondContact O-N 3.47Å; D102-K425 HydrophobicContact CB-CD 4.1Å; D102-K425 IonicContact OD1-NZ 2.75Å; D102-K425 PolarHBondContact OD1-NZ 3.06Å
103L77.1Confident79.5Confident22 Ų2246.6 Ų46.612%0.11526%0.258CS..PPolyproline II helixtrans-75155.2177.3-54.7177.3000110.3I98 K101 L431 V438 V440I98-L103 HydrophobicContact CB-CB 4.31Å; I98-L103 HydrophobicContact CG1-CB 4.18Å; I98-L103 HydrophobicContact CG1-CD1 4.29Å; I98-L103 HydrophobicContact CG2-CB 4.12Å; I98-L103 WeakPolarHBondContact CG2-O 3.42Å; I98-L103 PolarHBondContact O-N 3.23Å; K101-L103 HydrophobicContact CB-CD1 4.06Å; K101-L103 HydrophobicContact CB-CD2 4.07Å; K101-L103 HydrophobicContact CB-CG 3.66Å; K101-L103 HydrophobicContact CD-CD1 4.26Å; K101-L103 PolarHBondContact O-N 3.05Å; L103-L431 HydrophobicContact CD2-CD1 4.22Å; L103-L431 HydrophobicContact CD2-CD2 3.43Å; L103-L431 VanDerWaalsContact CD2-CD2 3.43Å; L103-L431 HydrophobicContact CD2-CG 4.47Å; L103-V438 HydrophobicContact CB-CG1 4.28Å; L103-V440 HydrophobicContact CD2-CG2 3.85Å
104L80.9Confident80.6Confident37 Ų3743.3 Ų43.319%0.19424%0.238CC..PPolyproline II helixtrans-75.4146.1167.7-70.6159.4000109.8V422 L431 V438L104-V422 HydrophobicContact CD1-CB 4.42Å; L104-V422 HydrophobicContact CD1-CG2 3.4Å; L104-V422 VanDerWaalsContact CD1-CG2 3.4Å; L104-L431 HydrophobicContact CD1-CD1 4.34Å; L104-L431 HydrophobicContact CG-CD1 4.44Å; L104-V438 WeakPolarHBondContact O-CG2 3.38Å
105T88.5Confident82Confident0 Ų040.2 Ų40.20%022%0.218CC..PPolyproline II helixtrans-67.3134.4169.2-51.70000109.9M161 H166 T169T105-M161 PolarHBondContact OG1-O 3.44Å; T105-H166 HydrophobicContact CG2-CB 4.44Å; T105-H166 WeakPolarHBondContact CG2-O 3.15Å; T105-T169 HydrophobicContact CG2-CG2 3.94Å
106G91.8Very high83.5Confident0 Ų039.2 Ų39.20%021%0.209CC..EExtended strand (participates in β ladder)trans-70.2169.3176.900000113.8E167 F168 T169 D435G106-E167 PolarHBondContact N-O 2.71Å; G106-F168 CarbonylContact O-C 3.55Å; G106-F168 WeakPolarHBondContact O-CA 3.49Å; G106-T169 PolarHBondContact O-N 3.17Å; G106-T169 PolarHBondContact O-OG1 2.92Å; G106-D435 CarbonylContact C-O 3.6Å; G106-D435 WeakPolarHBondContact CA-O 3.31Å
107I95.7Very high84.7Confident0 Ų034.5 Ų34.50%019%0.187CC..EExtended strand (participates in β ladder)trans-123.9119.2174.9-58.3175.6000108.5N109 L120 Q121 M161 P171 D435 H436I107-N109 PolarHBondContact O-N 3.26Å; I107-L120 HydrophobicContact CD1-CB 3.83Å; I107-L120 HydrophobicContact CD1-CD1 4.12Å; I107-Q121 HydrophobicContact CD1-CG 3.96Å; I107-Q121 HydrophobicContact CG1-CG 4.46Å; I107-M161 HydrophobicContact CD1-CE 3.97Å; I107-M161 HydrophobicContact CD1-SD 3.79Å; I107-M161 HydrophobicContact CG1-CE 4.43Å; I107-M161 HydrophobicContact CG1-SD 4.27Å; I107-P171 HydrophobicContact CG2-CB 4.32Å; I107-P171 HydrophobicContact CG2-CG 3.67Å; I107-D435 PolarHBondContact N-O 3.34Å; I107-D435 CarbonylContact O-C 3.29Å; I107-D435 VanDerWaalsContact O-CA 3.25Å; I107-D435 WeakPolarHBondContact O-CA 3.43Å; I107-D435 VanDerWaalsContact O-CB 3.29Å; I107-D435 WeakPolarHBondContact O-CB 3.34Å; I107-H436 PolarHBondContact O-N 3.19Å
108K95.6Very high86.3Confident90 Ų9033.3 Ų33.339%0.39118%0.18SC..  trans-66125.5-179.3-175.8168.4178.9-1790111L110 F168 T169 T170 P171K108-L110 PolarHBondContact O-N 3.34Å; K108-F168 HydrophobicContact CB-CD2 3.85Å; K108-F168 HydrophobicContact CB-CE2 4.3Å; K108-F168 HydrophobicContact CD-CD2 4.27Å; K108-F168 HydrophobicContact CD-CE2 3.85Å; K108-T169 WeakPolarHBondContact CB-O 3.36Å; K108-T169 PolarHBondContact N-O 2.95Å; K108-T170 HydrophobicContact CB-CG2 4.33Å; K108-T170 HydrophobicContact CD-CG2 4.1Å; K108-P171 VanDerWaalsContact O-CD 3.25Å; K108-P171 WeakPolarHBondContact O-CD 3.38Å
109N94Very high87.8Confident45 Ų4532.7 Ų32.724%0.24118%0.177CC..  trans-70.9125.8172.8-162.6-25.6000110.1I107 G111 T113 D435I107-N109 PolarHBondContact O-N 3.26Å; N109-G111 VanDerWaalsContact C-N 3.32Å; N109-G111 WeakPolarHBondContact OD1-CA 3.41Å; N109-G111 PolarHBondContact OD1-N 3.16Å; N109-T113 WeakPolarHBondContact CA-OG1 3.41Å; N109-T113 PolarHBondContact OD1-N 2.97Å; N109-T113 VanDerWaalsContact OD1-N 3.17Å; N109-T113 PolarHBondContact OD1-OG1 3.16Å; N109-D435 HydrophobicContact CB-CB 4.03Å; N109-D435 WeakPolarHBondContact CB-OD2 3.34Å; N109-D435 PolarHBondContact ND2-OD2 2.94Å
110L92.8Very high89.1Confident70 Ų7026 Ų2637%0.36615%0.148SC..  trans-96.421.7176.6-56.3-178000112.7K108 T113 T170 P171 V172 V175K108-L110 PolarHBondContact O-N 3.34Å; L110-T113 HydrophobicContact CB-CG2 4.07Å; L110-T113 PolarHBondContact N-OG1 3.42Å; L110-T170 HydrophobicContact CD2-CG2 3.82Å; L110-P171 HydrophobicContact CD1-CG 4.14Å; L110-P171 HydrophobicContact CG-CG 4.38Å; L110-V172 HydrophobicContact CD1-CB 4.33Å; L110-V172 HydrophobicContact CD1-CG2 3.96Å; L110-V172 HydrophobicContact CD2-CG2 4.41Å; L110-V175 HydrophobicContact CD1-CB 4.46Å; L110-V175 HydrophobicContact CD1-CG2 4.18Å
111G88.8Confident90.6Very high43 Ų4323.8 Ų23.844%0.44313%0.129SC..SBendtrans85.8120.4-173.300000110.9N109 T113N109-G111 VanDerWaalsContact C-N 3.32Å; N109-G111 WeakPolarHBondContact OD1-CA 3.41Å; N109-G111 PolarHBondContact OD1-N 3.16Å; G111-T113 WeakPolarHBondContact O-CG2 3.47Å; G111-T113 PolarHBondContact O-N 3.11Å
112N91.4Very high92Very high47 Ų4720.4 Ų20.425%0.25111%0.114SC..SBendtrans56.112.5-177.8-63.2-20.5000115.8Y115 Y194 Q196N112-Y115 WeakPolarHBondContact O-CD1 3.47Å; N112-Y115 VanDerWaalsContact O-CE1 3.23Å; N112-Y115 WeakPolarHBondContact O-CE1 2.89Å; N112-Y194 WeakPolarHBondContact CB-O 3.49Å; N112-Y194 PolarHBondContact ND2-O 3.12Å; N112-Q196 HydrophobicContact CB-CB 3.99Å
113T94.5Very high93.3Very high3 Ų317.8 Ų17.82%0.01810%0.1CC..  trans-95.78-177.956.80000114.5N109 L110 G111 Y115 L116 S117 V175N109-T113 WeakPolarHBondContact CA-OG1 3.41Å; N109-T113 PolarHBondContact OD1-N 2.97Å; N109-T113 VanDerWaalsContact OD1-N 3.17Å; N109-T113 PolarHBondContact OD1-OG1 3.16Å; L110-T113 HydrophobicContact CB-CG2 4.07Å; L110-T113 PolarHBondContact N-OG1 3.42Å; G111-T113 WeakPolarHBondContact O-CG2 3.47Å; G111-T113 PolarHBondContact O-N 3.11Å; T113-Y115 PolarHBondContact O-N 3.29Å; T113-Y115 VanDerWaalsContact O-N 3.16Å; T113-L116 VanDerWaalsContact O-CB 3.3Å; T113-L116 WeakPolarHBondContact O-CB 3.36Å; T113-L116 PolarHBondContact O-N 2.9Å; T113-S117 PolarHBondContact O-N 3.18Å; T113-V175 HydrophobicContact CG2-CG1 4.36Å; T113-V175 HydrophobicContact CG2-CG2 4.03Å
114C95.2Very high94.1Very high2 Ų217.2 Ų17.21%0.01410%0.099CC..Hα-helixtrans-62.8-24.4-17856.10000113.7L116 S117 A118 Q196 H417 Y418 D435C114-L116 VanDerWaalsContact C-N 3.28Å; C114-L116 PolarHBondContact O-N 3.29Å; C114-S117 PolarHBondContact O-N 2.88Å; C114-A118 WeakPolarHBondContact O-CB 3.23Å; C114-A118 PolarHBondContact O-N 2.94Å; C114-Q196 PolarHBondContact SG-NE2 2.81Å; C114-H417 PolarHBondContact SG-ND1 2.87Å; C114-Y418 PolarHBondContact SG-N 2.91Å; C114-Y418 VanDerWaalsContact SG-N 3.4Å; C114-D435 WeakPolarHBondContact CA-OD1 3.42Å; C114-D435 WeakPolarHBondContact CB-OD1 3.48Å
115Y95.9Very high94.7Very high4 Ų416.7 Ų16.72%0.01610%0.097CC..Hα-helixtrans-59.9-39.1171.472.2-89000111.7N112 T113 T119 F185 Q196 Q197 L202 Y418N112-Y115 WeakPolarHBondContact O-CD1 3.47Å; N112-Y115 VanDerWaalsContact O-CE1 3.23Å; N112-Y115 WeakPolarHBondContact O-CE1 2.89Å; T113-Y115 PolarHBondContact O-N 3.29Å; T113-Y115 VanDerWaalsContact O-N 3.16Å; Y115-T119 VanDerWaalsContact O-CB 3.26Å; Y115-T119 WeakPolarHBondContact O-CB 3.06Å; Y115-T119 PolarHBondContact O-N 3.39Å; Y115-T119 VanDerWaalsContact O-N 3.14Å; Y115-T119 PolarHBondContact O-OG1 3.06Å; Y115-F185 AromaticContact CE2-CD1 3.74Å; Y115-F185 HydrophobicContact CE2-CD1 3.74Å; Y115-F185 AromaticContact CE2-CE1 3.97Å; Y115-F185 HydrophobicContact CE2-CE1 3.97Å; Y115-Q196 HydrophobicContact CD1-CG 4.27Å; Y115-Q197 WeakPolarHBondContact CB-O 3.28Å; Y115-Q197 HydrophobicContact CD1-CB 4.3Å; Y115-Q197 HydrophobicContact CD2-CB 4.16Å; Y115-Q197 HydrophobicContact CE1-CB 4.05Å; Y115-Q197 HydrophobicContact CE1-CG 4.27Å; Y115-Q197 HydrophobicContact CE2-CB 3.92Å; Y115-Q197 HydrophobicContact CG-CB 4.37Å; Y115-L202 HydrophobicContact CD2-CB 4.27Å; Y115-L202 HydrophobicContact CD2-CD2 3.7Å; Y115-L202 HydrophobicContact CE2-CD2 3.82Å; Y115-Y418 VanDerWaalsContact CB-CD2 3.48Å
116L96.9Very high95Very high3 Ų316.7 Ų16.72%0.01610%0.097CC..Hα-helixtrans-68-53.2175.2176.367.1000110.1T113 C114 A118 T119 L120 P171 L174 V175 L202T113-L116 VanDerWaalsContact O-CB 3.3Å; T113-L116 WeakPolarHBondContact O-CB 3.36Å; T113-L116 PolarHBondContact O-N 2.9Å; C114-L116 VanDerWaalsContact C-N 3.28Å; C114-L116 PolarHBondContact O-N 3.29Å; L116-A118 VanDerWaalsContact C-N 3.34Å; L116-A118 PolarHBondContact O-N 2.73Å; L116-T119 PolarHBondContact O-N 3.1Å; L116-L120 HydrophobicContact CD1-CD1 3.81Å; L116-L120 HydrophobicContact CD1-CD2 4.4Å; L116-L120 HydrophobicContact CD1-CG 3.96Å; L116-L120 HydrophobicContact CG-CD1 4.04Å; L116-L120 HydrophobicContact CG-CG 4.41Å; L116-L120 VanDerWaalsContact O-CG 3.31Å; L116-L120 WeakPolarHBondContact O-CG 3.38Å; L116-L120 PolarHBondContact O-N 2.7Å; L116-P171 HydrophobicContact CD2-CB 4.38Å; L116-P171 HydrophobicContact CD2-CG 4.49Å; L116-L174 HydrophobicContact CD1-CD2 4.23Å; L116-L174 HydrophobicContact CD2-CD2 4.19Å; L116-L174 HydrophobicContact CD2-CG 4.39Å; L116-V175 HydrophobicContact CD2-CG2 3.47Å; L116-V175 VanDerWaalsContact CD2-CG2 3.47Å; L116-L202 HydrophobicContact CB-CD2 4.1Å; L116-L202 HydrophobicContact CD1-CD2 3.62Å; L116-L202 HydrophobicContact CG-CD2 4.49Å
117S96.4Very high95.1Very high1 Ų120.3 Ų20.31%0.00712%0.121CC..Hα-helixtrans-52.3-52.4-179.8-53.70000111.7T113 C114 T119 L120 Q121 D435T113-S117 PolarHBondContact O-N 3.18Å; C114-S117 PolarHBondContact O-N 2.88Å; S117-T119 PolarHBondContact O-N 3.43Å; S117-L120 PolarHBondContact O-N 2.67Å; S117-Q121 WeakPolarHBondContact O-CB 3.26Å; S117-Q121 WeakPolarHBondContact O-CG 3.43Å; S117-Q121 PolarHBondContact O-N 3.14Å; S117-Q121 PolarHBondContact O-OE1 3.21Å; S117-D435 WeakPolarHBondContact CB-OD1 3.45Å; S117-D435 PolarHBondContact OG-OD1 3.23Å
118A97.3Very high95.1Very high1 Ų121.7 Ų21.71%0.00813%0.127CC..Hα-helixtrans-66.2-39.7-176.600000112.3C114 L116 C122 L406 A420C114-A118 WeakPolarHBondContact O-CB 3.23Å; C114-A118 PolarHBondContact O-N 2.94Å; L116-A118 VanDerWaalsContact C-N 3.34Å; L116-A118 PolarHBondContact O-N 2.73Å; A118-C122 WeakPolarHBondContact O-CB 3.06Å; A118-C122 PolarHBondContact O-N 3.49Å; A118-C122 PolarHBondContact O-SG 2.87Å; A118-C122 VanDerWaalsContact O-SG 3.32Å; A118-L406 HydrophobicContact CB-CD1 4.22Å; A118-L406 HydrophobicContact CB-CG 4Å; A118-A420 HydrophobicContact CB-CB 4.14Å
119T98Very high95.2Very high0 Ų017.5 Ų17.50%011%0.109CC..Hα-helixtrans-61.8-48.4176.5-60.70000111Y115 L116 S117 C122 L123 A199 L202 W203 L206Y115-T119 VanDerWaalsContact O-CB 3.26Å; Y115-T119 WeakPolarHBondContact O-CB 3.06Å; Y115-T119 PolarHBondContact O-N 3.39Å; Y115-T119 VanDerWaalsContact O-N 3.14Å; Y115-T119 PolarHBondContact O-OG1 3.06Å; L116-T119 PolarHBondContact O-N 3.1Å; S117-T119 PolarHBondContact O-N 3.43Å; T119-C122 PolarHBondContact O-N 3.38Å; T119-L123 HydrophobicContact CG2-CD1 3.9Å; T119-L123 HydrophobicContact CG2-CG 4.46Å; T119-L123 WeakPolarHBondContact O-CB 3.3Å; T119-L123 WeakPolarHBondContact O-CG 3.3Å; T119-L123 PolarHBondContact O-N 2.85Å; T119-A199 PolarHBondContact OG1-O 2.91Å; T119-L202 HydrophobicContact CG2-CD2 4.16Å; T119-L202 HydrophobicContact CG2-CG 4.18Å; T119-W203 HydrophobicContact CG2-CB 4.11Å; T119-W203 HydrophobicContact CG2-CE3 4Å; T119-L206 HydrophobicContact CG2-CD1 4.08Å
120L97.3Very high95.2Very high1 Ų115.4 Ų15.41%0.00510%0.098CC..Hα-helixtrans-65.7-42.9-179.9-63.9-174000112.3I107 L116 S117 C122 L123 A124 L154 F158 L174 L206I107-L120 HydrophobicContact CD1-CB 3.83Å; I107-L120 HydrophobicContact CD1-CD1 4.12Å; L116-L120 HydrophobicContact CD1-CD1 3.81Å; L116-L120 HydrophobicContact CD1-CD2 4.4Å; L116-L120 HydrophobicContact CD1-CG 3.96Å; L116-L120 HydrophobicContact CG-CD1 4.04Å; L116-L120 HydrophobicContact CG-CG 4.41Å; L116-L120 VanDerWaalsContact O-CG 3.31Å; L116-L120 WeakPolarHBondContact O-CG 3.38Å; L116-L120 PolarHBondContact O-N 2.7Å; S117-L120 PolarHBondContact O-N 2.67Å; L120-C122 VanDerWaalsContact C-N 3.32Å; L120-C122 PolarHBondContact O-N 2.92Å; L120-L123 PolarHBondContact O-N 3.29Å; L120-A124 VanDerWaalsContact O-CB 3.27Å; L120-A124 WeakPolarHBondContact O-CB 3.27Å; L120-A124 PolarHBondContact O-N 2.88Å; L120-L154 HydrophobicContact CD1-CD1 4.28Å; L120-L154 HydrophobicContact CD2-CD1 3.38Å; L120-L154 HydrophobicContact CG-CD1 4.47Å; L120-F158 HydrophobicContact CB-CE1 4.37Å; L120-F158 HydrophobicContact CD2-CE1 4.32Å; L120-F158 HydrophobicContact CD2-CZ 3.93Å; L120-F158 WeakPolarHBondContact O-CE1 3.47Å; L120-L174 HydrophobicContact CD1-CD2 3.72Å; L120-L206 HydrophobicContact CD2-CD1 3.71Å
121Q95.7Very high95.4Very high0 Ų017.8 Ų17.80%011%0.106CC..Hα-helixtrans-62.5-39.3178.7-74.2165.4-22.600112.1I107 S117 M161 A420 C433 D435I107-Q121 HydrophobicContact CD1-CG 3.96Å; I107-Q121 HydrophobicContact CG1-CG 4.46Å; S117-Q121 WeakPolarHBondContact O-CB 3.26Å; S117-Q121 WeakPolarHBondContact O-CG 3.43Å; S117-Q121 PolarHBondContact O-N 3.14Å; S117-Q121 PolarHBondContact O-OE1 3.21Å; Q121-M161 HydrophobicContact CB-CE 4.45Å; Q121-M161 HydrophobicContact CG-CE 3.75Å; Q121-A420 HydrophobicContact CB-CB 3.67Å; Q121-C433 HydrophobicContact CB-CB 4.3Å; Q121-C433 VanDerWaalsContact CD-CB 3.4Å; Q121-C433 HydrophobicContact CG-CB 4.2Å; Q121-C433 PolarHBondContact OE1-O 3Å; Q121-D435 PolarHBondContact NE2-O 3.34Å
122C97.5Very high95.7Very high1 Ų115.8 Ų15.81%0.0079%0.085CC..Hα-helixtrans-69-48.2173.2-720000112.2A118 T119 L120 A124 T125 W203 A404 A420A118-C122 WeakPolarHBondContact O-CB 3.06Å; A118-C122 PolarHBondContact O-N 3.49Å; A118-C122 PolarHBondContact O-SG 2.87Å; A118-C122 VanDerWaalsContact O-SG 3.32Å; T119-C122 PolarHBondContact O-N 3.38Å; L120-C122 VanDerWaalsContact C-N 3.32Å; L120-C122 PolarHBondContact O-N 2.92Å; C122-A124 PolarHBondContact O-N 2.96Å; C122-T125 WeakPolarHBondContact O-CB 3.2Å; C122-T125 WeakPolarHBondContact O-CG2 3.35Å; C122-T125 PolarHBondContact O-N 3.04Å; C122-T125 PolarHBondContact O-OG1 3.35Å; C122-W203 HydrophobicContact CB-CH2 3.98Å; C122-W203 HydrophobicContact CB-CZ3 3.48Å; C122-W203 VanDerWaalsContact CB-CZ3 3.48Å; C122-A404 HydrophobicContact CB-CB 3.95Å; C122-A420 VanDerWaalsContact SG-CB 3.52Å
123L97.1Very high95.9Very high3 Ų313.7 Ų13.72%0.0167%0.073CC..Hα-helixtrans-62.9-28.7179-72.3175.7000112.8T119 L120 T125 V126 L129 F158 W203 L206 L207T119-L123 HydrophobicContact CG2-CD1 3.9Å; T119-L123 HydrophobicContact CG2-CG 4.46Å; T119-L123 WeakPolarHBondContact O-CB 3.3Å; T119-L123 WeakPolarHBondContact O-CG 3.3Å; T119-L123 PolarHBondContact O-N 2.85Å; L120-L123 PolarHBondContact O-N 3.29Å; L123-T125 PolarHBondContact O-N 2.65Å; L123-T125 VanDerWaalsContact O-N 3.14Å; L123-V126 PolarHBondContact O-N 2.65Å; L123-V126 VanDerWaalsContact O-N 3.12Å; L123-L129 HydrophobicContact CB-CD2 4.28Å; L123-L129 HydrophobicContact CD2-CD2 4.03Å; L123-F158 HydrophobicContact CB-CE1 4.43Å; L123-F158 HydrophobicContact CB-CZ 4.16Å; L123-W203 HydrophobicContact CD2-CD2 4.02Å; L123-W203 HydrophobicContact CD2-CE3 4.15Å; L123-W203 HydrophobicContact CD2-CH2 3.66Å; L123-W203 HydrophobicContact CD2-CZ2 3.51Å; L123-W203 HydrophobicContact CD2-CZ3 3.99Å; L123-W203 HydrophobicContact CG-CD2 4.35Å; L123-W203 HydrophobicContact CG-CE3 4.08Å; L123-W203 HydrophobicContact CG-CH2 4.11Å; L123-W203 HydrophobicContact CG-CZ2 4.38Å; L123-W203 HydrophobicContact CG-CZ3 3.97Å; L123-L206 HydrophobicContact CD1-CB 4.2Å; L123-L206 HydrophobicContact CD1-CD1 3.9Å; L123-L207 HydrophobicContact CD2-CD2 4.02Å
124A94.6Very high95.9Very high11 Ų1118.3 Ų18.39%0.0919%0.093CC..THydrogen-bonded Turntrans-63.4-16175.400000113.8L120 C122 V126 I130 F158 M161L120-A124 VanDerWaalsContact O-CB 3.27Å; L120-A124 WeakPolarHBondContact O-CB 3.27Å; L120-A124 PolarHBondContact O-N 2.88Å; C122-A124 PolarHBondContact O-N 2.96Å; A124-V126 VanDerWaalsContact C-N 3.26Å; A124-V126 PolarHBondContact O-N 2.98Å; A124-I130 HydrophobicContact CB-CD1 4.42Å; A124-F158 HydrophobicContact CB-CD1 4Å; A124-F158 HydrophobicContact CB-CE1 4Å; A124-M161 HydrophobicContact CB-CE 4.02Å
125T93.7Very high95.8Very high25 Ų2521.9 Ų21.915%0.15311%0.109CC..THydrogen-bonded Turntrans-79.9-2.3175.769.90000114C122 L123 P127 A404 V422 L462C122-T125 WeakPolarHBondContact O-CB 3.2Å; C122-T125 WeakPolarHBondContact O-CG2 3.35Å; C122-T125 PolarHBondContact O-N 3.04Å; C122-T125 PolarHBondContact O-OG1 3.35Å; L123-T125 PolarHBondContact O-N 2.65Å; L123-T125 VanDerWaalsContact O-N 3.14Å; T125-P127 WeakPolarHBondContact O-CD 3.33Å; T125-A404 HydrophobicContact CG2-CB 4.38Å; T125-V422 HydrophobicContact CG2-CB 3.71Å; T125-V422 HydrophobicContact CG2-CG1 3.63Å; T125-L462 WeakPolarHBondContact OG1-CD2 3.12Å
126V95.7Very high95.6Very high0 Ų021.9 Ų21.90%011%0.109CC..  trans-99.294.7177.6-175.50000110.3L123 A124 E128 L129 I130 Y307 L462L123-V126 PolarHBondContact O-N 2.65Å; L123-V126 VanDerWaalsContact O-N 3.12Å; A124-V126 VanDerWaalsContact C-N 3.26Å; A124-V126 PolarHBondContact O-N 2.98Å; V126-E128 VanDerWaalsContact C-N 3.3Å; V126-E128 PolarHBondContact O-N 3.48Å; V126-L129 HydrophobicContact CB-CB 3.88Å; V126-L129 HydrophobicContact CG1-CB 3.66Å; V126-L129 PolarHBondContact O-N 3.11Å; V126-L129 VanDerWaalsContact O-N 3.14Å; V126-I130 PolarHBondContact O-N 3.33Å; V126-I130 VanDerWaalsContact O-N 3.08Å; V126-Y307 HydrophobicContact CG1-CD1 4.34Å; V126-Y307 HydrophobicContact CG1-CD2 3.73Å; V126-Y307 HydrophobicContact CG1-CE1 4.27Å; V126-Y307 HydrophobicContact CG1-CE2 3.66Å; V126-Y307 HydrophobicContact CG1-CG 4.08Å; V126-Y307 HydrophobicContact CG2-CD1 4.26Å; V126-Y307 HydrophobicContact CG2-CG 4.42Å; V126-L462 HydrophobicContact CG2-CD2 3.65Å
127P94.1Very high95.4Very high77 Ų7723.5 Ų23.550%0.512%0.117SC..Hα-helixtrans-51.3-42.7-175.5-22.316.4000114.9T125 I130 K131 Y307T125-P127 WeakPolarHBondContact O-CD 3.33Å; P127-I130 PolarHBondContact O-N 2.91Å; P127-K131 WeakPolarHBondContact O-CB 3.43Å; P127-K131 PolarHBondContact O-N 2.93Å; P127-Y307 WeakPolarHBondContact CD-OH 3.38Å
128E95.6Very high95.1Very high28 Ų2830 Ų3013%0.13115%0.15CC..Hα-helixtrans-69-38.4-177-68.686166.200111.4V126 K131 G132 Y228 Y232 K306 Y307V126-E128 VanDerWaalsContact C-N 3.3Å; V126-E128 PolarHBondContact O-N 3.48Å; E128-K131 WeakPolarHBondContact O-CB 3.43Å; E128-K131 PolarHBondContact O-N 2.95Å; E128-G132 PolarHBondContact O-N 3.23Å; E128-Y228 HydrophobicContact CB-CD1 4.35Å; E128-Y228 WeakPolarHBondContact O-CD1 3.28Å; E128-Y228 VanDerWaalsContact O-CE1 3.26Å; E128-Y228 WeakPolarHBondContact O-CE1 3.4Å; E128-Y232 HydrophobicContact CB-CD1 4.33Å; E128-Y232 HydrophobicContact CB-CD2 3.82Å; E128-Y232 HydrophobicContact CB-CE1 4.4Å; E128-Y232 HydrophobicContact CB-CE2 3.92Å; E128-Y232 HydrophobicContact CB-CG 4.06Å; E128-Y232 HydrophobicContact CG-CD1 3.96Å; E128-Y232 HydrophobicContact CG-CD2 4.2Å; E128-Y232 HydrophobicContact CG-CE1 3.72Å; E128-Y232 HydrophobicContact CG-CE2 4Å; E128-Y232 HydrophobicContact CG-CG 4.21Å; E128-K306 IonicContact OE1-NZ 2.7Å; E128-K306 PolarHBondContact OE1-NZ 2.85Å; E128-Y307 WeakPolarHBondContact OE2-CE2 3.32Å; E128-Y307 PolarHBondContact OE2-OH 2.86Å
129L96.3Very high94.5Very high2 Ų231.4 Ų31.41%0.0116%0.16CC..Hα-helixtrans-63.7-46.2173.9-175.762.6000110.4L123 V126 K131 G132 F133 L207 A210 L214L123-L129 HydrophobicContact CB-CD2 4.28Å; L123-L129 HydrophobicContact CD2-CD2 4.03Å; V126-L129 HydrophobicContact CB-CB 3.88Å; V126-L129 HydrophobicContact CG1-CB 3.66Å; V126-L129 PolarHBondContact O-N 3.11Å; V126-L129 VanDerWaalsContact O-N 3.14Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 3.44Å; L129-G132 WeakPolarHBondContact O-CA 3.3Å; L129-G132 PolarHBondContact O-N 3Å; L129-F133 HydrophobicContact CD1-CD2 4.36Å; L129-F133 HydrophobicContact CD1-CE2 3.86Å; L129-F133 HydrophobicContact CD2-CE2 4.33Å; L129-F133 HydrophobicContact CG-CD2 4.11Å; L129-F133 HydrophobicContact CG-CE2 3.78Å; L129-F133 VanDerWaalsContact O-CD2 3.28Å; L129-F133 WeakPolarHBondContact O-CD2 3.47Å; L129-F133 PolarHBondContact O-N 3.47Å; L129-L207 HydrophobicContact CD2-CD2 4.19Å; L129-A210 HydrophobicContact CD1-CB 4.08Å; L129-L214 HydrophobicContact CD1-CD1 4.11Å
130I95.5Very high93.1Very high2 Ų237.9 Ų37.91%0.0120%0.202CC..Hα-helixtrans-64.2-36.7176.3-57.6-56.3000112.1A124 V126 P127 G132 F133 K134 F158 Q162A124-I130 HydrophobicContact CB-CD1 4.42Å; V126-I130 PolarHBondContact O-N 3.33Å; V126-I130 VanDerWaalsContact O-N 3.08Å; P127-I130 PolarHBondContact O-N 2.91Å; I130-G132 VanDerWaalsContact C-N 3.26Å; I130-G132 PolarHBondContact O-N 2.75Å; I130-F133 PolarHBondContact O-N 3.4Å; I130-K134 HydrophobicContact CG2-CD 4.42Å; I130-K134 HydrophobicContact CG2-CG 4.47Å; I130-K134 WeakPolarHBondContact O-CG 3.5Å; I130-K134 PolarHBondContact O-N 3.4Å; I130-F158 HydrophobicContact CD1-CB 3.84Å; I130-F158 HydrophobicContact CD1-CD1 3.44Å; I130-F158 VanDerWaalsContact CD1-CD1 3.44Å; I130-F158 HydrophobicContact CD1-CD2 3.95Å; I130-F158 HydrophobicContact CD1-CE1 3.87Å; I130-F158 HydrophobicContact CD1-CE2 4.33Å; I130-F158 HydrophobicContact CD1-CG 3.48Å; I130-F158 VanDerWaalsContact CD1-CG 3.48Å; I130-F158 HydrophobicContact CD1-CZ 4.3Å; I130-Q162 VanDerWaalsContact CG2-CD 3.49Å
131K95.2Very high91.8Very high120 Ų12041.4 Ų41.452%0.52223%0.227SC..Hα-helixtrans-59-40.9171.6-178.9-177.9179.3-179.40110.9P127 E128 L129 K134 K135P127-K131 WeakPolarHBondContact O-CB 3.43Å; P127-K131 PolarHBondContact O-N 2.93Å; E128-K131 WeakPolarHBondContact O-CB 3.43Å; E128-K131 PolarHBondContact O-N 2.95Å; L129-K131 VanDerWaalsContact C-N 3.31Å; L129-K131 PolarHBondContact O-N 3.44Å; K131-K134 PolarHBondContact O-N 2.7Å; K131-K135 WeakPolarHBondContact O-CG 3.14Å; K131-K135 PolarHBondContact O-N 3.48Å
132G95.6Very high90.5Very high0 Ų044.1 Ų44.10%024%0.241CC..Hα-helixtrans-59.2-49.3173.700000113E128 L129 I130 K134 K135 F136E128-G132 PolarHBondContact O-N 3.23Å; L129-G132 WeakPolarHBondContact O-CA 3.3Å; L129-G132 PolarHBondContact O-N 3Å; I130-G132 VanDerWaalsContact C-N 3.26Å; I130-G132 PolarHBondContact O-N 2.75Å; G132-K134 VanDerWaalsContact C-N 3.35Å; G132-K134 PolarHBondContact O-N 3.34Å; G132-K135 PolarHBondContact O-N 3.26Å; G132-F136 PolarHBondContact O-N 3.04Å
133F95.6Very high89.4Confident4 Ų449.5 Ų49.52%0.01827%0.266CS..Hα-helixtrans-60.1-41.1175.3-79-72.9000112.9L129 I130 F136 L137 M151 L154 A155 F158 A210 L214L129-F133 HydrophobicContact CD1-CD2 4.36Å; L129-F133 HydrophobicContact CD1-CE2 3.86Å; L129-F133 HydrophobicContact CD2-CE2 4.33Å; L129-F133 HydrophobicContact CG-CD2 4.11Å; L129-F133 HydrophobicContact CG-CE2 3.78Å; L129-F133 VanDerWaalsContact O-CD2 3.28Å; L129-F133 WeakPolarHBondContact O-CD2 3.47Å; L129-F133 PolarHBondContact O-N 3.47Å; I130-F133 PolarHBondContact O-N 3.4Å; F133-F136 WeakPolarHBondContact O-CB 3.31Å; F133-F136 PolarHBondContact O-N 3.42Å; F133-L137 PolarHBondContact O-N 2.8Å; F133-M151 HydrophobicContact CD1-CE 4.25Å; F133-M151 HydrophobicContact CE1-CE 3.27Å; F133-M151 HydrophobicContact CE1-SD 4.13Å; F133-M151 HydrophobicContact CZ-CE 3.61Å; F133-L154 HydrophobicContact CD1-CG 4.49Å; F133-L154 HydrophobicContact CE1-CB 4.25Å; F133-L154 HydrophobicContact CE1-CD2 3.57Å; F133-L154 HydrophobicContact CE1-CG 3.74Å; F133-L154 HydrophobicContact CZ-CD2 3.5Å; F133-L154 HydrophobicContact CZ-CG 3.99Å; F133-A155 HydrophobicContact CB-CB 3.92Å; F133-A155 HydrophobicContact CD1-CB 3.82Å; F133-A155 HydrophobicContact CG-CB 4.33Å; F133-F158 HydrophobicContact CB-CD2 4.4Å; F133-F158 HydrophobicContact CD1-CD2 4.21Å; F133-F158 HydrophobicContact CD1-CE2 4.45Å; F133-F158 AromaticContact CD2-CD2 3.66Å; F133-F158 HydrophobicContact CD2-CD2 3.66Å; F133-F158 AromaticContact CD2-CE2 3.67Å; F133-F158 HydrophobicContact CD2-CE2 3.67Å; F133-F158 HydrophobicContact CE1-CD2 4.39Å; F133-F158 HydrophobicContact CE1-CE2 4.21Å; F133-F158 AromaticContact CE2-CD2 3.91Å; F133-F158 HydrophobicContact CE2-CD2 3.91Å; F133-F158 AromaticContact CE2-CE2 3.41Å; F133-F158 HydrophobicContact CE2-CE2 3.41Å; F133-F158 VanDerWaalsContact CE2-CE2 3.41Å; F133-F158 HydrophobicContact CE2-CZ 4.36Å; F133-F158 AromaticContact CG-CD2 3.84Å; F133-F158 HydrophobicContact CG-CD2 3.84Å; F133-F158 HydrophobicContact CG-CE2 4.21Å; F133-F158 HydrophobicContact CZ-CD2 4.27Å; F133-F158 AromaticContact CZ-CE2 3.71Å; F133-F158 HydrophobicContact CZ-CE2 3.71Å; F133-A210 HydrophobicContact CZ-CB 4.48Å; F133-L214 HydrophobicContact CD1-CD2 3.93Å; F133-L214 HydrophobicContact CD2-CD1 4.41Å; F133-L214 HydrophobicContact CE1-CD2 4.19Å; F133-L214 HydrophobicContact CE2-CD1 4.34Å; F133-L214 HydrophobicContact CG-CD2 4.31Å; F133-L214 HydrophobicContact CZ-CD1 4.49Å
134K94.4Very high88.5Confident100 Ų10054.4 Ų54.444%0.43529%0.291SS..Hα-helixtrans-62.8-41.9174.9-73.4177.9-179.5176.90112.5I130 K131 G132 F136 L137I130-K134 HydrophobicContact CG2-CD 4.42Å; I130-K134 HydrophobicContact CG2-CG 4.47Å; I130-K134 WeakPolarHBondContact O-CG 3.5Å; I130-K134 PolarHBondContact O-N 3.4Å; K131-K134 PolarHBondContact O-N 2.7Å; G132-K134 VanDerWaalsContact C-N 3.35Å; G132-K134 PolarHBondContact O-N 3.34Å; K134-F136 VanDerWaalsContact C-N 3.3Å; K134-L137 PolarHBondContact O-N 3.47Å
135K93.3Very high88Confident77 Ų7758.1 Ų58.134%0.33531%0.31SS..Hα-helixtrans-64.6-35.9174.9-73.9-163.7-166.4169.10112K131 G132 I138 S139 P215 Y228K131-K135 WeakPolarHBondContact O-CG 3.14Å; K131-K135 PolarHBondContact O-N 3.48Å; G132-K135 PolarHBondContact O-N 3.26Å; K135-I138 VanDerWaalsContact O-CG1 3.24Å; K135-I138 WeakPolarHBondContact O-CG1 3.24Å; K135-I138 PolarHBondContact O-N 3.15Å; K135-S139 PolarHBondContact O-N 2.98Å; K135-P215 HydrophobicContact CB-CG 4.44Å; K135-Y228 VanDerWaalsContact CD-OH 3.28Å; K135-Y228 WeakPolarHBondContact CD-OH 3.38Å; K135-Y228 VanDerWaalsContact CE-OH 3.27Å; K135-Y228 WeakPolarHBondContact CE-OH 3.32Å; K135-Y228 PolarHBondContact NZ-OH 2.98Å; K135-Y228 VanDerWaalsContact NZ-OH 3.12Å
136F92.6Very high87.7Confident4 Ų459.1 Ų59.12%0.01833%0.326CS..Hα-helixtrans-62.5-41.6178.2-173-110.4000112G132 F133 K134 I138 S139 L142 R148 M151 V152 L213 L214 P215G132-F136 PolarHBondContact O-N 3.04Å; F133-F136 WeakPolarHBondContact O-CB 3.31Å; F133-F136 PolarHBondContact O-N 3.42Å; K134-F136 VanDerWaalsContact C-N 3.3Å; F136-I138 VanDerWaalsContact C-N 3.27Å; F136-I138 PolarHBondContact O-N 3.2Å; F136-S139 VanDerWaalsContact O-CB 3.32Å; F136-S139 WeakPolarHBondContact O-CB 3.29Å; F136-S139 PolarHBondContact O-N 2.91Å; F136-S139 VanDerWaalsContact O-N 3.15Å; F136-L142 HydrophobicContact CD1-CD1 4.38Å; F136-L142 HydrophobicContact CE1-CD1 4.01Å; F136-L142 HydrophobicContact CE2-CD1 4.48Å; F136-L142 HydrophobicContact CZ-CD1 4.07Å; F136-R148 HydrophobicContact CZ-CB 4.29Å; F136-R148 HydrophobicContact CZ-CG 4.48Å; F136-M151 HydrophobicContact CD1-CB 4.1Å; F136-M151 HydrophobicContact CE1-CB 3.48Å; F136-M151 VanDerWaalsContact CE1-CB 3.48Å; F136-M151 HydrophobicContact CZ-CB 3.95Å; F136-V152 HydrophobicContact CD1-CG2 4.27Å; F136-V152 HydrophobicContact CE1-CG2 3.63Å; F136-V152 HydrophobicContact CZ-CG2 4.48Å; F136-L213 VanDerWaalsContact CE2-O 3.27Å; F136-L213 WeakPolarHBondContact CE2-O 3.25Å; F136-L214 HydrophobicContact CB-CD2 3.72Å; F136-L214 HydrophobicContact CD2-CD2 4.35Å; F136-L214 HydrophobicContact CG-CD2 3.98Å; F136-P215 HydrophobicContact CB-CG 4.48Å; F136-P215 HydrophobicContact CD2-CG 4.4Å
137L91.3Very high87.5Confident36 Ų3661.7 Ų61.719%0.18834%0.339CS..Hα-helixtrans-61.8-29.2177.8-72.5174.3000114.6F133 K134 V152 A155 E156 K159F133-L137 PolarHBondContact O-N 2.8Å; K134-L137 PolarHBondContact O-N 3.47Å; L137-V152 HydrophobicContact CD2-CG1 3.97Å; L137-A155 HydrophobicContact CD1-CB 3.75Å; L137-A155 HydrophobicContact CD2-CB 3.69Å; L137-A155 HydrophobicContact CG-CB 3.5Å; L137-E156 HydrophobicContact CD1-CG 4.48Å; L137-E156 WeakPolarHBondContact CD1-OE1 3.49Å; L137-E156 HydrophobicContact CD2-CG 3.99Å; L137-E156 WeakPolarHBondContact CD2-OE1 3.28Å; L137-K159 HydrophobicContact CD1-CD 4.15Å
138I90.5Very high87.4Confident138 Ų13861.9 Ų61.971%0.70833%0.33SS*.THydrogen-bonded Turntrans-98.43.3179.762.5173.2000112.7K135 F136K135-I138 VanDerWaalsContact O-CG1 3.24Å; K135-I138 WeakPolarHBondContact O-CG1 3.24Å; K135-I138 PolarHBondContact O-N 3.15Å; F136-I138 VanDerWaalsContact C-N 3.27Å; F136-I138 PolarHBondContact O-N 3.2Å
139S84.5Confident87.2Confident30 Ų3062.8 Ų62.821%0.2134%0.336CS..  trans-67.6129.2-178.6-172.10000110.3K135 F136 S141K135-S139 PolarHBondContact O-N 2.98Å; F136-S139 VanDerWaalsContact O-CB 3.32Å; F136-S139 WeakPolarHBondContact O-CB 3.29Å; F136-S139 PolarHBondContact O-N 2.91Å; F136-S139 VanDerWaalsContact O-N 3.15Å; S139-S141 PolarHBondContact O-N 3.28Å; S139-S141 PolarHBondContact OG-OG 3.01Å
140P69Low87.1Confident137 Ų13762.8 Ų62.889%0.8934%0.335SS*.THydrogen-bonded Turntrans-67.1-21.5-177.725.5-33.3000113.4L142P140-L142 VanDerWaalsContact C-N 3.32Å; P140-L142 PolarHBondContact O-N 3.36Å
141S70.9Confident87Confident74 Ų7462.7 Ų62.752%0.51734%0.335SS..THydrogen-bonded Turntrans-94.439.2-178.767.70000112.7S139 E143S139-S141 PolarHBondContact O-N 3.28Å; S139-S141 PolarHBondContact OG-OG 3.01Å; S141-E143 PolarHBondContact O-N 3.41Å
142L67.8Low86.9Confident57 Ų5757.9 Ų57.930%0.29832%0.316SS..  trans-77.586.8-174.4-163.374.3000111.4F136 P140 L144 V152F136-L142 HydrophobicContact CD1-CD1 4.38Å; F136-L142 HydrophobicContact CE1-CD1 4.01Å; F136-L142 HydrophobicContact CE2-CD1 4.48Å; F136-L142 HydrophobicContact CZ-CD1 4.07Å; P140-L142 VanDerWaalsContact C-N 3.32Å; P140-L142 PolarHBondContact O-N 3.36Å; L142-L144 HydrophobicContact CD2-CD2 3.79Å; L142-L144 HydrophobicContact CG-CD2 3.98Å; L142-V152 HydrophobicContact CD1-CG2 3.6Å; L142-V152 HydrophobicContact CD2-CG2 3.93Å; L142-V152 HydrophobicContact CG-CG2 4.05Å
143E74.1Confident86.9Confident114 Ų11459 Ų5953%0.53332%0.321SS..  trans-75.5120.8167.4-68.3-176.1-168.500110.5S141 N145 R148S141-E143 PolarHBondContact O-N 3.41Å; E143-N145 VanDerWaalsContact C-N 3.34Å; E143-N145 PolarHBondContact O-N 3.2Å; E143-R148 VanDerWaalsContact O-CB 3.27Å; E143-R148 WeakPolarHBondContact O-CB 3.32Å
144L78.6Confident86.9Confident106 Ų10658.8 Ų58.856%0.55532%0.321SS*.  trans-92.755.7-176.4-62.6175000111.9L142 L149 V152L142-L144 HydrophobicContact CD2-CD2 3.79Å; L142-L144 HydrophobicContact CG-CD2 3.98Å; L144-L149 HydrophobicContact CB-CD1 4.48Å; L144-L149 HydrophobicContact CD2-CD1 4.12Å; L144-V152 HydrophobicContact CD2-CG2 4.01Å
145N83Confident86.9Confident89 Ų8954.1 Ų54.148%0.47630%0.301SS..SBendtrans-130.1154.3179.359.914.8000112E143 N147 R148 L149E143-N145 VanDerWaalsContact C-N 3.34Å; E143-N145 PolarHBondContact O-N 3.2Å; N145-N147 PolarHBondContact O-N 3.03Å; N145-R148 WeakPolarHBondContact O-CB 3.29Å; N145-R148 PolarHBondContact O-N 2.83Å; N145-R148 VanDerWaalsContact O-N 3.08Å; N145-L149 PolarHBondContact O-N 3.3Å
146G87.8Confident86.9Confident47 Ų4754.4 Ų54.449%0.48530%0.303SS..Hα-helixtrans45-132.9175.100000114.1R148 L149 F177G146-R148 PolarHBondContact O-N 3.48Å; G146-L149 PolarHBondContact O-N 2.91Å; G146-F177 WeakPolarHBondContact O-CE1 3.15Å; G146-F177 VanDerWaalsContact O-CZ 3.3Å; G146-F177 WeakPolarHBondContact O-CZ 3.15Å
147N92Very high86.9Confident53 Ų5355.4 Ų55.428%0.28331%0.308SS..Hα-helixtrans-65.5-23.6-177.6-65-14.3000113.4N145 L150 M151 F182 L209 L213N145-N147 PolarHBondContact O-N 3.03Å; N147-L150 WeakPolarHBondContact O-CB 3.45Å; N147-L150 PolarHBondContact O-N 3.47Å; N147-M151 WeakPolarHBondContact O-CG 3.5Å; N147-M151 PolarHBondContact O-N 3.2Å; N147-F182 WeakPolarHBondContact OD1-CZ 3.33Å; N147-L209 HydrophobicContact CB-CD2 4.07Å; N147-L213 HydrophobicContact CB-CD1 3.63Å
148R90.9Very high87.1Confident81 Ų8153.8 Ų53.831%0.30630%0.299SS..Hα-helixtrans-65.4-40175.7-71.6-176173.9-131.7-2.3111.5F136 E143 N145 G146 L150 M151 V152 L213F136-R148 HydrophobicContact CZ-CB 4.29Å; F136-R148 HydrophobicContact CZ-CG 4.48Å; E143-R148 VanDerWaalsContact O-CB 3.27Å; E143-R148 WeakPolarHBondContact O-CB 3.32Å; N145-R148 WeakPolarHBondContact O-CB 3.29Å; N145-R148 PolarHBondContact O-N 2.83Å; N145-R148 VanDerWaalsContact O-N 3.08Å; G146-R148 PolarHBondContact O-N 3.48Å; R148-L150 VanDerWaalsContact C-N 3.33Å; R148-L150 PolarHBondContact O-N 3.22Å; R148-M151 WeakPolarHBondContact O-CB 3.23Å; R148-M151 PolarHBondContact O-N 2.83Å; R148-M151 VanDerWaalsContact O-N 3.16Å; R148-V152 WeakPolarHBondContact O-CG2 3.36Å; R148-V152 PolarHBondContact O-N 3.21Å; R148-L213 HydrophobicContact CG-CD1 4.44Å; R148-L213 HydrophobicContact CG-CD2 4.02Å
149L92Very high87.1Confident48 Ų4851.6 Ų51.625%0.25128%0.284SS..Hα-helixtrans-63.8-39.2174.7179.556.3000111.7L144 N145 G146 M151 V152 I153 F177L144-L149 HydrophobicContact CB-CD1 4.48Å; L144-L149 HydrophobicContact CD2-CD1 4.12Å; N145-L149 PolarHBondContact O-N 3.3Å; G146-L149 PolarHBondContact O-N 2.91Å; L149-M151 VanDerWaalsContact C-N 3.29Å; L149-M151 PolarHBondContact O-N 3.15Å; L149-V152 PolarHBondContact O-N 3.25Å; L149-I153 HydrophobicContact CD1-CD1 4.29Å; L149-I153 HydrophobicContact CD1-CG1 4.36Å; L149-I153 HydrophobicContact CG-CD1 4.06Å; L149-I153 WeakPolarHBondContact O-CG1 3.47Å; L149-I153 PolarHBondContact O-N 2.88Å; L149-F177 HydrophobicContact CB-CE1 4.19Å; L149-F177 HydrophobicContact CB-CE2 4.36Å; L149-F177 HydrophobicContact CB-CZ 3.79Å; L149-F177 HydrophobicContact CD2-CD2 4.23Å; L149-F177 HydrophobicContact CD2-CE2 3.47Å; L149-F177 VanDerWaalsContact CD2-CE2 3.47Å; L149-F177 HydrophobicContact CD2-CZ 3.76Å; L149-F177 HydrophobicContact CG-CE1 4.41Å; L149-F177 HydrophobicContact CG-CE2 3.95Å; L149-F177 HydrophobicContact CG-CZ 3.88Å
150L93.6Very high87.4Confident1 Ų151.5 Ų51.51%0.00529%0.286CS..Hα-helixtrans-57.2-44.1172.2-179.659.2000111.3N147 R148 V152 I153 L154 L174 F177 L178 F182 L209N147-L150 WeakPolarHBondContact O-CB 3.45Å; N147-L150 PolarHBondContact O-N 3.47Å; R148-L150 VanDerWaalsContact C-N 3.33Å; R148-L150 PolarHBondContact O-N 3.22Å; L150-V152 VanDerWaalsContact C-N 3.33Å; L150-V152 PolarHBondContact O-N 2.99Å; L150-I153 PolarHBondContact O-N 3.49Å; L150-L154 VanDerWaalsContact O-CB 3.29Å; L150-L154 WeakPolarHBondContact O-CB 3.28Å; L150-L154 PolarHBondContact O-N 2.83Å; L150-L174 HydrophobicContact CD1-CD1 3.58Å; L150-F177 HydrophobicContact CB-CD1 3.66Å; L150-F177 HydrophobicContact CB-CE1 3.74Å; L150-F177 HydrophobicContact CD1-CD1 4.04Å; L150-F177 HydrophobicContact CG-CD1 4.37Å; L150-L178 HydrophobicContact CD1-CB 4.47Å; L150-L178 HydrophobicContact CD2-CD1 4.28Å; L150-F182 HydrophobicContact CD2-CD2 4.16Å; L150-F182 HydrophobicContact CD2-CE2 3.62Å; L150-L209 HydrophobicContact CD2-CD1 3.91Å
151M94Very high88.3Confident0 Ų045.1 Ų45.10%024%0.244CC..Hα-helixtrans-65.4-33.7178.6-65.4-57.8-75.400112.9F133 F136 N147 R148 L149 L154 A155 L209 A210 L213 L214F133-M151 HydrophobicContact CD1-CE 4.25Å; F133-M151 HydrophobicContact CE1-CE 3.27Å; F133-M151 HydrophobicContact CE1-SD 4.13Å; F133-M151 HydrophobicContact CZ-CE 3.61Å; F136-M151 HydrophobicContact CD1-CB 4.1Å; F136-M151 HydrophobicContact CE1-CB 3.48Å; F136-M151 VanDerWaalsContact CE1-CB 3.48Å; F136-M151 HydrophobicContact CZ-CB 3.95Å; N147-M151 WeakPolarHBondContact O-CG 3.5Å; N147-M151 PolarHBondContact O-N 3.2Å; R148-M151 WeakPolarHBondContact O-CB 3.23Å; R148-M151 PolarHBondContact O-N 2.83Å; R148-M151 VanDerWaalsContact O-N 3.16Å; L149-M151 VanDerWaalsContact C-N 3.29Å; L149-M151 PolarHBondContact O-N 3.15Å; M151-L154 HydrophobicContact SD-CD2 4.28Å; M151-A155 VanDerWaalsContact O-CB 3.29Å; M151-A155 WeakPolarHBondContact O-CB 3.35Å; M151-A155 PolarHBondContact O-N 3.1Å; M151-L209 HydrophobicContact SD-CB 3.81Å; M151-A210 HydrophobicContact CE-CB 4.01Å; M151-L213 HydrophobicContact CG-CB 4.17Å; M151-L213 HydrophobicContact CG-CD1 3.71Å; M151-L214 HydrophobicContact CE-CD2 3.86Å; M151-L214 HydrophobicContact CE-CG 3.96Å
152V93.8Very high88.9Confident20 Ų2045.4 Ų45.412%0.12124%0.237CC..Hα-helixtrans-65.5-49.4172.21750000110.8F136 L137 L142 L144 R148 L149 L150 L154 A155 E156F136-V152 HydrophobicContact CD1-CG2 4.27Å; F136-V152 HydrophobicContact CE1-CG2 3.63Å; F136-V152 HydrophobicContact CZ-CG2 4.48Å; L137-V152 HydrophobicContact CD2-CG1 3.97Å; L142-V152 HydrophobicContact CD1-CG2 3.6Å; L142-V152 HydrophobicContact CD2-CG2 3.93Å; L142-V152 HydrophobicContact CG-CG2 4.05Å; L144-V152 HydrophobicContact CD2-CG2 4.01Å; R148-V152 WeakPolarHBondContact O-CG2 3.36Å; R148-V152 PolarHBondContact O-N 3.21Å; L149-V152 PolarHBondContact O-N 3.25Å; L150-V152 VanDerWaalsContact C-N 3.33Å; L150-V152 PolarHBondContact O-N 2.99Å; V152-L154 VanDerWaalsContact C-N 3.26Å; V152-L154 PolarHBondContact O-N 3.25Å; V152-A155 PolarHBondContact O-N 3.24Å; V152-A155 VanDerWaalsContact O-N 3.17Å; V152-E156 PolarHBondContact O-N 2.89Å
153I94.7Very high89.5Confident22 Ų2245.5 Ų45.511%0.11324%0.242CC..Hα-helixtrans-59.4-42.7179.3-63.6159.9000109.9L149 L150 E156 H157 V173 L174 F177L149-I153 HydrophobicContact CD1-CD1 4.29Å; L149-I153 HydrophobicContact CD1-CG1 4.36Å; L149-I153 HydrophobicContact CG-CD1 4.06Å; L149-I153 WeakPolarHBondContact O-CG1 3.47Å; L149-I153 PolarHBondContact O-N 2.88Å; L150-I153 PolarHBondContact O-N 3.49Å; I153-E156 PolarHBondContact O-N 3.22Å; I153-H157 PolarHBondContact O-N 3.06Å; I153-H157 PolarHBondContact O-ND1 3.28Å; I153-V173 HydrophobicContact CD1-CG1 3.96Å; I153-V173 HydrophobicContact CG1-CG1 4.31Å; I153-V173 HydrophobicContact CG2-CG1 4.35Å; I153-L174 HydrophobicContact CG2-CB 3.8Å; I153-L174 HydrophobicContact CG2-CD1 3.98Å; I153-L174 HydrophobicContact CG2-CG 4.47Å; I153-F177 HydrophobicContact CD1-CB 3.89Å; I153-F177 HydrophobicContact CD1-CD1 4.25Å; I153-F177 HydrophobicContact CD1-CD2 4.24Å; I153-F177 HydrophobicContact CD1-CG 3.85Å
154L95.6Very high89.7Confident1 Ų140.5 Ų40.51%0.00522%0.221CC..Hα-helixtrans-64.5-42.5176.6-179.558.2000112.3L120 F133 L150 M151 V152 H157 F158 L206L120-L154 HydrophobicContact CD1-CD1 4.28Å; L120-L154 HydrophobicContact CD2-CD1 3.38Å; L120-L154 HydrophobicContact CG-CD1 4.47Å; F133-L154 HydrophobicContact CD1-CG 4.49Å; F133-L154 HydrophobicContact CE1-CB 4.25Å; F133-L154 HydrophobicContact CE1-CD2 3.57Å; F133-L154 HydrophobicContact CE1-CG 3.74Å; F133-L154 HydrophobicContact CZ-CD2 3.5Å; F133-L154 HydrophobicContact CZ-CG 3.99Å; L150-L154 VanDerWaalsContact O-CB 3.29Å; L150-L154 WeakPolarHBondContact O-CB 3.28Å; L150-L154 PolarHBondContact O-N 2.83Å; M151-L154 HydrophobicContact SD-CD2 4.28Å; V152-L154 VanDerWaalsContact C-N 3.26Å; V152-L154 PolarHBondContact O-N 3.25Å; L154-H157 WeakPolarHBondContact O-CB 3.47Å; L154-H157 PolarHBondContact O-N 2.82Å; L154-F158 HydrophobicContact CD1-CD2 4.04Å; L154-F158 HydrophobicContact CD1-CE2 3.52Å; L154-F158 HydrophobicContact CD1-CZ 3.96Å; L154-F158 HydrophobicContact CD2-CE2 4.04Å; L154-F158 HydrophobicContact CG-CD2 3.93Å; L154-F158 HydrophobicContact CG-CE2 3.53Å; L154-F158 HydrophobicContact CG-CZ 4.4Å; L154-F158 VanDerWaalsContact O-CD2 3.3Å; L154-F158 WeakPolarHBondContact O-CD2 3.38Å; L154-F158 PolarHBondContact O-N 3.03Å; L154-L206 HydrophobicContact CD2-CD1 4.41Å; L154-L206 HydrophobicContact CD2-CD2 3.83Å
155A94.9Very high89.6Confident2 Ų241.2 Ų41.22%0.01722%0.222CC..Hα-helixtrans-63.2-41.9176.900000112.4F133 L137 M151 V152 H157 F158 K159F133-A155 HydrophobicContact CB-CB 3.92Å; F133-A155 HydrophobicContact CD1-CB 3.82Å; F133-A155 HydrophobicContact CG-CB 4.33Å; L137-A155 HydrophobicContact CD1-CB 3.75Å; L137-A155 HydrophobicContact CD2-CB 3.69Å; L137-A155 HydrophobicContact CG-CB 3.5Å; M151-A155 VanDerWaalsContact O-CB 3.29Å; M151-A155 WeakPolarHBondContact O-CB 3.35Å; M151-A155 PolarHBondContact O-N 3.1Å; V152-A155 PolarHBondContact O-N 3.24Å; V152-A155 VanDerWaalsContact O-N 3.17Å; A155-H157 VanDerWaalsContact C-N 3.32Å; A155-F158 PolarHBondContact O-N 3.17Å; A155-K159 WeakPolarHBondContact O-CB 3.5Å; A155-K159 PolarHBondContact O-N 2.71Å
156E93Very high89.6Confident83 Ų8342 Ų4239%0.38822%0.222SC..Hα-helixtrans-64.3-36.8174.1-75.2-60.2152.300111.6L137 V152 I153 K159 A160L137-E156 HydrophobicContact CD1-CG 4.48Å; L137-E156 WeakPolarHBondContact CD1-OE1 3.49Å; L137-E156 HydrophobicContact CD2-CG 3.99Å; L137-E156 WeakPolarHBondContact CD2-OE1 3.28Å; V152-E156 PolarHBondContact O-N 2.89Å; I153-E156 PolarHBondContact O-N 3.22Å; E156-K159 PolarHBondContact O-N 3.19Å; E156-K159 IonicContact OE1-NZ 2.96Å; E156-K159 IonicContact OE2-NZ 3.55Å; E156-K159 PolarHBondContact OE2-NZ 2.65Å; E156-A160 WeakPolarHBondContact O-CB 3.49Å; E156-A160 PolarHBondContact O-N 3.44Å
157H93.7Very high89.3Confident24 Ų2444.1 Ų44.111%0.11122%0.219CC..Hα-helixtrans-62.1-48.3172.4-81.775.4000111.9I153 L154 A155 K159 A160 M161 P171I153-H157 PolarHBondContact O-N 3.06Å; I153-H157 PolarHBondContact O-ND1 3.28Å; L154-H157 WeakPolarHBondContact O-CB 3.47Å; L154-H157 PolarHBondContact O-N 2.82Å; A155-H157 VanDerWaalsContact C-N 3.32Å; H157-K159 VanDerWaalsContact C-N 3.29Å; H157-K159 PolarHBondContact O-N 3.48Å; H157-A160 PolarHBondContact O-N 3.1Å; H157-M161 VanDerWaalsContact O-CG 3.28Å; H157-M161 WeakPolarHBondContact O-CG 3.45Å; H157-M161 PolarHBondContact O-N 3.38Å; H157-P171 WeakPolarHBondContact NE2-CA 3.45Å
158F94.4Very high89.2Confident2 Ų245 Ų451%0.00922%0.221CC..Hα-helixtrans-60.8-38.6176.7-75.9-53000112.6L120 L123 A124 I130 F133 L154 A155 M161 Q162L120-F158 HydrophobicContact CB-CE1 4.37Å; L120-F158 HydrophobicContact CD2-CE1 4.32Å; L120-F158 HydrophobicContact CD2-CZ 3.93Å; L120-F158 WeakPolarHBondContact O-CE1 3.47Å; L123-F158 HydrophobicContact CB-CE1 4.43Å; L123-F158 HydrophobicContact CB-CZ 4.16Å; A124-F158 HydrophobicContact CB-CD1 4Å; A124-F158 HydrophobicContact CB-CE1 4Å; I130-F158 HydrophobicContact CD1-CB 3.84Å; I130-F158 HydrophobicContact CD1-CD1 3.44Å; I130-F158 VanDerWaalsContact CD1-CD1 3.44Å; I130-F158 HydrophobicContact CD1-CD2 3.95Å; I130-F158 HydrophobicContact CD1-CE1 3.87Å; I130-F158 HydrophobicContact CD1-CE2 4.33Å; I130-F158 HydrophobicContact CD1-CG 3.48Å; I130-F158 VanDerWaalsContact CD1-CG 3.48Å; I130-F158 HydrophobicContact CD1-CZ 4.3Å; F133-F158 HydrophobicContact CB-CD2 4.4Å; F133-F158 HydrophobicContact CD1-CD2 4.21Å; F133-F158 HydrophobicContact CD1-CE2 4.45Å; F133-F158 AromaticContact CD2-CD2 3.66Å; F133-F158 HydrophobicContact CD2-CD2 3.66Å; F133-F158 AromaticContact CD2-CE2 3.67Å; F133-F158 HydrophobicContact CD2-CE2 3.67Å; F133-F158 HydrophobicContact CE1-CD2 4.39Å; F133-F158 HydrophobicContact CE1-CE2 4.21Å; F133-F158 AromaticContact CE2-CD2 3.91Å; F133-F158 HydrophobicContact CE2-CD2 3.91Å; F133-F158 AromaticContact CE2-CE2 3.41Å; F133-F158 HydrophobicContact CE2-CE2 3.41Å; F133-F158 VanDerWaalsContact CE2-CE2 3.41Å; F133-F158 HydrophobicContact CE2-CZ 4.36Å; F133-F158 AromaticContact CG-CD2 3.84Å; F133-F158 HydrophobicContact CG-CD2 3.84Å; F133-F158 HydrophobicContact CG-CE2 4.21Å; F133-F158 HydrophobicContact CZ-CD2 4.27Å; F133-F158 AromaticContact CZ-CE2 3.71Å; F133-F158 HydrophobicContact CZ-CE2 3.71Å; L154-F158 HydrophobicContact CD1-CD2 4.04Å; L154-F158 HydrophobicContact CD1-CE2 3.52Å; L154-F158 HydrophobicContact CD1-CZ 3.96Å; L154-F158 HydrophobicContact CD2-CE2 4.04Å; L154-F158 HydrophobicContact CG-CD2 3.93Å; L154-F158 HydrophobicContact CG-CE2 3.53Å; L154-F158 HydrophobicContact CG-CZ 4.4Å; L154-F158 VanDerWaalsContact O-CD2 3.3Å; L154-F158 WeakPolarHBondContact O-CD2 3.38Å; L154-F158 PolarHBondContact O-N 3.03Å; A155-F158 PolarHBondContact O-N 3.17Å; F158-M161 HydrophobicContact CD1-SD 4.28Å; F158-M161 PolarHBondContact O-N 2.88Å; F158-Q162 WeakPolarHBondContact O-CG 3.44Å; F158-Q162 PolarHBondContact O-N 2.78Å; F158-Q162 VanDerWaalsContact O-N 3.16Å
159K92Very high89.3Confident92 Ų9241.8 Ų41.840%0.421%0.21SC..Hα-helixtrans-63-49.3174.8-179.6-178.3165.7-160.30111.1L137 A155 E156 H157 M161 Q162 C163L137-K159 HydrophobicContact CD1-CD 4.15Å; A155-K159 WeakPolarHBondContact O-CB 3.5Å; A155-K159 PolarHBondContact O-N 2.71Å; E156-K159 PolarHBondContact O-N 3.19Å; E156-K159 IonicContact OE1-NZ 2.96Å; E156-K159 IonicContact OE2-NZ 3.55Å; E156-K159 PolarHBondContact OE2-NZ 2.65Å; H157-K159 VanDerWaalsContact C-N 3.29Å; H157-K159 PolarHBondContact O-N 3.48Å; K159-M161 VanDerWaalsContact C-N 3.26Å; K159-M161 PolarHBondContact O-N 3.09Å; K159-Q162 PolarHBondContact O-N 3.46Å; K159-C163 PolarHBondContact O-N 3.08Å; K159-C163 PolarHBondContact O-SG 3.25Å
160A89.7Confident89.5Confident29 Ų2942.5 Ų42.524%0.2422%0.217CC..Hα-helixtrans-60.2-36.2176.600000112.4E156 H157 Q162 T169E156-A160 WeakPolarHBondContact O-CB 3.49Å; E156-A160 PolarHBondContact O-N 3.44Å; H157-A160 PolarHBondContact O-N 3.1Å; A160-Q162 VanDerWaalsContact C-N 3.28Å; A160-Q162 PolarHBondContact O-N 2.78Å; A160-T169 HydrophobicContact CB-CG2 3.77Å
161M88.2Confident89.5Confident3 Ų342.4 Ų42.42%0.01522%0.216CC..Hα-helixtrans-64.8-30.5174.6-72173.669.500113.6T105 I107 Q121 A124 H157 F158 K159T105-M161 PolarHBondContact OG1-O 3.44Å; I107-M161 HydrophobicContact CD1-CE 3.97Å; I107-M161 HydrophobicContact CD1-SD 3.79Å; I107-M161 HydrophobicContact CG1-CE 4.43Å; I107-M161 HydrophobicContact CG1-SD 4.27Å; Q121-M161 HydrophobicContact CB-CE 4.45Å; Q121-M161 HydrophobicContact CG-CE 3.75Å; A124-M161 HydrophobicContact CB-CE 4.02Å; H157-M161 VanDerWaalsContact O-CG 3.28Å; H157-M161 WeakPolarHBondContact O-CG 3.45Å; H157-M161 PolarHBondContact O-N 3.38Å; F158-M161 HydrophobicContact CD1-SD 4.28Å; F158-M161 PolarHBondContact O-N 2.88Å; K159-M161 VanDerWaalsContact C-N 3.26Å; K159-M161 PolarHBondContact O-N 3.09Å
162Q83.6Confident89.6Confident80 Ų8045.4 Ų45.437%0.37423%0.234SC..Hα-helixtrans-89.3-24.4-179.2-72-171.3-19.800114.1I130 F158 K159 A160 G164I130-Q162 VanDerWaalsContact CG2-CD 3.49Å; F158-Q162 WeakPolarHBondContact O-CG 3.44Å; F158-Q162 PolarHBondContact O-N 2.78Å; F158-Q162 VanDerWaalsContact O-N 3.16Å; K159-Q162 PolarHBondContact O-N 3.46Å; A160-Q162 VanDerWaalsContact C-N 3.28Å; A160-Q162 PolarHBondContact O-N 2.78Å; Q162-G164 PolarHBondContact O-N 3.44Å
163C80.9Confident89.6Confident58 Ų5848.5 Ų48.539%0.39225%0.253SS..Hα-helixtrans-63.4-31179.1-69.60000112.5K159 E165K159-C163 PolarHBondContact O-N 3.08Å; K159-C163 PolarHBondContact O-SG 3.25Å; C163-E165 HydrophobicContact CB-CG 4.1Å; C163-E165 PolarHBondContact O-N 2.96Å
164G76.6Confident89.7Confident9 Ų947.7 Ų47.79%0.09325%0.249CC..  trans62.219.6-179.300000114Q162Q162-G164 PolarHBondContact O-N 3.44Å
165E78Confident89.7Confident122 Ų12248 Ų4857%0.5725%0.251SS*.  trans-85-15.4-178.6-67.5-178.1169.800113A95 C163A95-E165 WeakPolarHBondContact CB-O 3.21Å; C163-E165 HydrophobicContact CB-CG 4.1Å; C163-E165 PolarHBondContact O-N 2.96Å
166H81.5Confident89.6Confident104 Ų10453.3 Ų53.348%0.48128%0.275SS..SBendtrans-124.9154.4-176.9-56.2-51.3000110.2T105T105-H166 HydrophobicContact CG2-CB 4.44Å; T105-H166 WeakPolarHBondContact CG2-O 3.15Å
167E82.5Confident89.7Confident92 Ų9250.9 Ų50.943%0.4326%0.264SS..SBendtrans-68.5-44173.4-171177.4177.500111.5P94 I98 G106P94-E167 HydrophobicContact CB-CB 4.3Å; P94-E167 HydrophobicContact CB-CG 3.95Å; I98-E167 VanDerWaalsContact CD1-CA 3.5Å; I98-E167 HydrophobicContact CD1-CB 4.31Å; I98-E167 HydrophobicContact CD1-CG 4.22Å; G106-E167 PolarHBondContact N-O 2.71Å
168F90.4Very high89.8Confident71 Ų7149.9 Ų49.931%0.31126%0.259SS..EExtended strand (participates in β ladder)trans-147.5156.7176.858.9-94.9000111.7G106 K108 H436G106-F168 CarbonylContact O-C 3.55Å; G106-F168 WeakPolarHBondContact O-CA 3.49Å; K108-F168 HydrophobicContact CB-CD2 3.85Å; K108-F168 HydrophobicContact CB-CE2 4.3Å; K108-F168 HydrophobicContact CD-CD2 4.27Å; K108-F168 HydrophobicContact CD-CE2 3.85Å; F168-H436 HydrophobicContact CB-CB 3.7Å; F168-H436 HydrophobicContact CD1-CB 4.29Å; F168-H436 HydrophobicContact CG-CB 4.04Å
169T92.8Very high89.7Confident15 Ų1550.1 Ų50.19%0.09226%0.261CS..EExtended strand (participates in β ladder)trans-95.9152.9166.662.40000109.8T105 G106 K108 A160T105-T169 HydrophobicContact CG2-CG2 3.94Å; G106-T169 PolarHBondContact O-N 3.17Å; G106-T169 PolarHBondContact O-OG1 2.92Å; K108-T169 WeakPolarHBondContact CB-O 3.36Å; K108-T169 PolarHBondContact N-O 2.95Å; A160-T169 HydrophobicContact CB-CG2 3.77Å
170T95Very high89.8Confident62 Ų6253.7 Ų53.738%0.3828%0.276SS..  trans-115.6109.8176.2-54.40000109.8K108 L110 V172K108-T170 HydrophobicContact CB-CG2 4.33Å; K108-T170 HydrophobicContact CD-CG2 4.1Å; L110-T170 HydrophobicContact CD2-CG2 3.82Å; T170-V172 VanDerWaalsContact C-N 3.27Å; T170-V172 HydrophobicContact CG2-CG2 3.68Å; T170-V172 PolarHBondContact O-N 3.37Å
171P94.8Very high89.9Confident0 Ų053.9 Ų53.90%028%0.276CS..  trans-86.240.9-167.537-39000114.7I107 K108 L110 L116 H157 L174 V175I107-P171 HydrophobicContact CG2-CB 4.32Å; I107-P171 HydrophobicContact CG2-CG 3.67Å; K108-P171 VanDerWaalsContact O-CD 3.25Å; K108-P171 WeakPolarHBondContact O-CD 3.38Å; L110-P171 HydrophobicContact CD1-CG 4.14Å; L110-P171 HydrophobicContact CG-CG 4.38Å; L116-P171 HydrophobicContact CD2-CB 4.38Å; L116-P171 HydrophobicContact CD2-CG 4.49Å; H157-P171 WeakPolarHBondContact NE2-CA 3.45Å; P171-L174 HydrophobicContact CB-CB 4.17Å; P171-L174 HydrophobicContact CB-CD2 4.37Å; P171-L174 PolarHBondContact O-N 3.25Å; P171-V175 HydrophobicContact CG-CG2 4.43Å; P171-V175 WeakPolarHBondContact O-CB 3.37Å; P171-V175 VanDerWaalsContact O-CG2 3.31Å; P171-V175 WeakPolarHBondContact O-CG2 3.26Å; P171-V175 PolarHBondContact O-N 3.46Å
172V95.6Very high90.3Very high62 Ų6255.1 Ų55.138%0.37628%0.281SS..Hα-helixtrans-59.1-55.4-175.1-175.60000111.3L110 T170 L174 V175 E176L110-V172 HydrophobicContact CD1-CB 4.33Å; L110-V172 HydrophobicContact CD1-CG2 3.96Å; L110-V172 HydrophobicContact CD2-CG2 4.41Å; T170-V172 VanDerWaalsContact C-N 3.27Å; T170-V172 HydrophobicContact CG2-CG2 3.68Å; T170-V172 PolarHBondContact O-N 3.37Å; V172-L174 VanDerWaalsContact C-N 3.27Å; V172-L174 PolarHBondContact O-N 3.31Å; V172-V175 PolarHBondContact O-N 3.25Å; V172-E176 HydrophobicContact CG1-CG 4.49Å; V172-E176 WeakPolarHBondContact O-CG 3.44Å; V172-E176 PolarHBondContact O-N 2.85Å
173V94.8Very high90.7Very high86 Ų8655.8 Ų55.852%0.52129%0.292SS..Hα-helixtrans-62.6-37.3-178.3-179.90000111.3I153 F177I153-V173 HydrophobicContact CD1-CG1 3.96Å; I153-V173 HydrophobicContact CG1-CG1 4.31Å; I153-V173 HydrophobicContact CG2-CG1 4.35Å; V173-F177 VanDerWaalsContact O-CB 3.26Å; V173-F177 WeakPolarHBondContact O-CB 3.21Å; V173-F177 PolarHBondContact O-N 3.43Å
174L95.8Very high91.2Very high5 Ų556.4 Ų56.43%0.02629%0.29CS..Hα-helixtrans-64.8-47.9177.8178.458.9000111.4L116 L120 L150 I153 P171 V172 F177 L178L116-L174 HydrophobicContact CD1-CD2 4.23Å; L116-L174 HydrophobicContact CD2-CD2 4.19Å; L116-L174 HydrophobicContact CD2-CG 4.39Å; L120-L174 HydrophobicContact CD1-CD2 3.72Å; L150-L174 HydrophobicContact CD1-CD1 3.58Å; I153-L174 HydrophobicContact CG2-CB 3.8Å; I153-L174 HydrophobicContact CG2-CD1 3.98Å; I153-L174 HydrophobicContact CG2-CG 4.47Å; P171-L174 HydrophobicContact CB-CB 4.17Å; P171-L174 HydrophobicContact CB-CD2 4.37Å; P171-L174 PolarHBondContact O-N 3.25Å; V172-L174 VanDerWaalsContact C-N 3.27Å; V172-L174 PolarHBondContact O-N 3.31Å; L174-F177 PolarHBondContact O-N 2.81Å; L174-L178 WeakPolarHBondContact O-CB 3.43Å; L174-L178 PolarHBondContact O-N 3.48Å
175V95.2Very high92Very high7 Ų756 Ų564%0.04229%0.285CS..Hα-helixtrans-63.5-47.3178.9171.10000111.1L110 T113 L116 P171 V172 F177 L178 C179 Y194L110-V175 HydrophobicContact CD1-CB 4.46Å; L110-V175 HydrophobicContact CD1-CG2 4.18Å; T113-V175 HydrophobicContact CG2-CG1 4.36Å; T113-V175 HydrophobicContact CG2-CG2 4.03Å; L116-V175 HydrophobicContact CD2-CG2 3.47Å; L116-V175 VanDerWaalsContact CD2-CG2 3.47Å; P171-V175 HydrophobicContact CG-CG2 4.43Å; P171-V175 WeakPolarHBondContact O-CB 3.37Å; P171-V175 VanDerWaalsContact O-CG2 3.31Å; P171-V175 WeakPolarHBondContact O-CG2 3.26Å; P171-V175 PolarHBondContact O-N 3.46Å; V172-V175 PolarHBondContact O-N 3.25Å; V175-F177 VanDerWaalsContact C-N 3.33Å; V175-F177 PolarHBondContact O-N 3.34Å; V175-L178 PolarHBondContact O-N 3.47Å; V175-C179 WeakPolarHBondContact O-CB 3.43Å; V175-C179 PolarHBondContact O-N 3.2Å; V175-C179 PolarHBondContact O-SG 2.9Å; V175-Y194 HydrophobicContact CG1-CD2 4.32Å; V175-Y194 HydrophobicContact CG1-CE2 4.33Å
176E93.3Very high92.7Very high114 Ų11451.8 Ų51.853%0.53327%0.271SS..Hα-helixtrans-58.8-44.7178.2-73.5177.2176.200112.1V172 K180V172-E176 HydrophobicContact CG1-CG 4.49Å; V172-E176 WeakPolarHBondContact O-CG 3.44Å; V172-E176 PolarHBondContact O-N 2.85Å; E176-K180 VanDerWaalsContact O-CB 3.31Å; E176-K180 WeakPolarHBondContact O-CB 3.37Å; E176-K180 PolarHBondContact O-N 3.37Å
177F94.3Very high93.1Very high32 Ų3249.9 Ų49.914%0.1427%0.267CS..Hα-helixtrans-73.3-35.8-178.8-159-88.2000112.8G146 L149 L150 I153 V173 L174 V175 K180 S181G146-F177 WeakPolarHBondContact O-CE1 3.15Å; G146-F177 VanDerWaalsContact O-CZ 3.3Å; G146-F177 WeakPolarHBondContact O-CZ 3.15Å; L149-F177 HydrophobicContact CB-CE1 4.19Å; L149-F177 HydrophobicContact CB-CE2 4.36Å; L149-F177 HydrophobicContact CB-CZ 3.79Å; L149-F177 HydrophobicContact CD2-CD2 4.23Å; L149-F177 HydrophobicContact CD2-CE2 3.47Å; L149-F177 VanDerWaalsContact CD2-CE2 3.47Å; L149-F177 HydrophobicContact CD2-CZ 3.76Å; L149-F177 HydrophobicContact CG-CE1 4.41Å; L149-F177 HydrophobicContact CG-CE2 3.95Å; L149-F177 HydrophobicContact CG-CZ 3.88Å; L150-F177 HydrophobicContact CB-CD1 3.66Å; L150-F177 HydrophobicContact CB-CE1 3.74Å; L150-F177 HydrophobicContact CD1-CD1 4.04Å; L150-F177 HydrophobicContact CG-CD1 4.37Å; I153-F177 HydrophobicContact CD1-CB 3.89Å; I153-F177 HydrophobicContact CD1-CD1 4.25Å; I153-F177 HydrophobicContact CD1-CD2 4.24Å; I153-F177 HydrophobicContact CD1-CG 3.85Å; V173-F177 VanDerWaalsContact O-CB 3.26Å; V173-F177 WeakPolarHBondContact O-CB 3.21Å; V173-F177 PolarHBondContact O-N 3.43Å; L174-F177 PolarHBondContact O-N 2.81Å; V175-F177 VanDerWaalsContact C-N 3.33Å; V175-F177 PolarHBondContact O-N 3.34Å; F177-K180 PolarHBondContact O-N 2.82Å; F177-S181 WeakPolarHBondContact CD1-OG 3.21Å; F177-S181 WeakPolarHBondContact CE1-OG 3.38Å; F177-S181 WeakPolarHBondContact O-CB 3.46Å; F177-S181 PolarHBondContact O-N 2.85Å; F177-S181 PolarHBondContact O-OG 2.6Å
178L95.6Very high93.5Very high3 Ų351 Ų512%0.01627%0.271CS..Hα-helixtrans-59.7-53.2172.6177.967.4000110.3L150 L174 V175 K180 S181 F182 F185 L202 L205L150-L178 HydrophobicContact CD1-CB 4.47Å; L150-L178 HydrophobicContact CD2-CD1 4.28Å; L174-L178 WeakPolarHBondContact O-CB 3.43Å; L174-L178 PolarHBondContact O-N 3.48Å; V175-L178 PolarHBondContact O-N 3.47Å; L178-K180 VanDerWaalsContact C-N 3.29Å; L178-K180 PolarHBondContact O-N 3.2Å; L178-S181 PolarHBondContact O-N 2.94Å; L178-F182 HydrophobicContact CD1-CD2 4Å; L178-F182 WeakPolarHBondContact O-CB 3.44Å; L178-F182 PolarHBondContact O-N 3.19Å; L178-F185 HydrophobicContact CD1-CD2 4.21Å; L178-F185 HydrophobicContact CD2-CB 4.4Å; L178-F185 HydrophobicContact CD2-CD1 4.3Å; L178-F185 HydrophobicContact CD2-CG 4.19Å; L178-F185 HydrophobicContact CG-CB 4.24Å; L178-F185 HydrophobicContact CG-CD2 4.27Å; L178-F185 HydrophobicContact CG-CG 4.16Å; L178-L202 HydrophobicContact CD1-CD1 4.14Å; L178-L202 HydrophobicContact CD2-CD1 4Å; L178-L205 HydrophobicContact CD1-CD2 4.38Å
179C93.7Very high93.3Very high6 Ų649.3 Ų49.34%0.04126%0.264CS..Hα-helixtrans-61.4-36.8178.8-66.70000112.3V175 F182 F185 A186 Y194V175-C179 WeakPolarHBondContact O-CB 3.43Å; V175-C179 PolarHBondContact O-N 3.2Å; V175-C179 PolarHBondContact O-SG 2.9Å; C179-F182 CarbonylContact O-C 3.58Å; C179-F185 PolarHBondContact SG-O 2.79Å; C179-A186 HydrophobicContact CB-CB 3.85Å; C179-Y194 HydrophobicContact CB-CE1 4.29Å
180K92.9Very high93Very high168 Ų16857.1 Ų57.173%0.7331%0.306SS*.Hα-helixtrans-66.7-41.7175.9-178.5-179.7177.8-179.30112.6E176 F177 L178E176-K180 VanDerWaalsContact O-CB 3.31Å; E176-K180 WeakPolarHBondContact O-CB 3.37Å; E176-K180 PolarHBondContact O-N 3.37Å; F177-K180 PolarHBondContact O-N 2.82Å; L178-K180 VanDerWaalsContact C-N 3.29Å; L178-K180 PolarHBondContact O-N 3.2Å
181S93.1Very high92.5Very high33 Ų3361 Ų6123%0.23132%0.32CS..Hα-helixtrans-81.2-28.6-175.4-53.60000112.3F177 L178F177-S181 WeakPolarHBondContact CD1-OG 3.21Å; F177-S181 WeakPolarHBondContact CE1-OG 3.38Å; F177-S181 WeakPolarHBondContact O-CB 3.46Å; F177-S181 PolarHBondContact O-N 2.85Å; F177-S181 PolarHBondContact O-OG 2.6Å; L178-S181 PolarHBondContact O-N 2.94Å
182F95.2Very high92Very high28 Ų2863 Ų6312%0.12334%0.34CS..  trans-13389.4-174.5-63.8-77000109.6N147 L150 L178 C179 Q184 F185 L205 L209N147-F182 WeakPolarHBondContact OD1-CZ 3.33Å; L150-F182 HydrophobicContact CD2-CD2 4.16Å; L150-F182 HydrophobicContact CD2-CE2 3.62Å; L178-F182 HydrophobicContact CD1-CD2 4Å; L178-F182 WeakPolarHBondContact O-CB 3.44Å; L178-F182 PolarHBondContact O-N 3.19Å; C179-F182 CarbonylContact O-C 3.58Å; F182-Q184 VanDerWaalsContact CA-OE1 3.31Å; F182-Q184 PolarHBondContact O-N 2.92Å; F182-Q184 PolarHBondContact O-OE1 2.97Å; F182-F185 HydrophobicContact CB-CD2 3.61Å; F182-F185 HydrophobicContact CB-CE2 4.08Å; F182-F185 PolarHBondContact O-N 2.68Å; F182-L205 HydrophobicContact CB-CD2 4.49Å; F182-L205 HydrophobicContact CD1-CD1 4.13Å; F182-L205 HydrophobicContact CD1-CD2 3.98Å; F182-L205 HydrophobicContact CD2-CD2 3.99Å; F182-L205 HydrophobicContact CE1-CD1 3.64Å; F182-L205 HydrophobicContact CE1-CD2 4.2Å; F182-L205 HydrophobicContact CE2-CD2 4.22Å; F182-L205 HydrophobicContact CG-CD2 3.87Å; F182-L205 HydrophobicContact CZ-CD1 3.87Å; F182-L205 HydrophobicContact CZ-CD2 4.32Å; F182-L209 HydrophobicContact CE2-CD1 3.92Å; F182-L209 HydrophobicContact CZ-CD1 3.83Å; F182-L209 HydrophobicContact CZ-CD2 4.16Å; F182-L209 HydrophobicContact CZ-CG 4.47Å
183P92.8Very high91.6Very high94 Ų9466.5 Ų66.561%0.6135%0.346SS*.G310 helixtrans-57-21.5-173.9-28.136000115.4F185 A186P183-F185 PolarHBondContact O-N 2.7Å; P183-A186 WeakPolarHBondContact O-CB 3.35Å; P183-A186 PolarHBondContact O-N 3.28Å
184Q91.5Very high91.3Very high72 Ų7266.1 Ų66.134%0.33634%0.336SS..G310 helixtrans-61.2-31.2173.770.8-85.934.600112.2F182 A186 T187 Q197F182-Q184 VanDerWaalsContact CA-OE1 3.31Å; F182-Q184 PolarHBondContact O-N 2.92Å; F182-Q184 PolarHBondContact O-OE1 2.97Å; Q184-A186 VanDerWaalsContact C-N 3.3Å; Q184-T187 PolarHBondContact O-OG1 3.3Å; Q184-Q197 PolarHBondContact O-NE2 3.18Å; Q184-Q197 VanDerWaalsContact O-NE2 3.16Å; Q184-Q197 PolarHBondContact O-OE1 2.85Å
185F93.2Very high91Very high0 Ų068.6 Ų68.60%035%0.348CS..G310 helixtrans-81.8-9.7174.8-60.8-85000113.2Y115 L178 C179 F182 P183 Q197 E201 L202 L205Y115-F185 AromaticContact CE2-CD1 3.74Å; Y115-F185 HydrophobicContact CE2-CD1 3.74Å; Y115-F185 AromaticContact CE2-CE1 3.97Å; Y115-F185 HydrophobicContact CE2-CE1 3.97Å; L178-F185 HydrophobicContact CD1-CD2 4.21Å; L178-F185 HydrophobicContact CD2-CB 4.4Å; L178-F185 HydrophobicContact CD2-CD1 4.3Å; L178-F185 HydrophobicContact CD2-CG 4.19Å; L178-F185 HydrophobicContact CG-CB 4.24Å; L178-F185 HydrophobicContact CG-CD2 4.27Å; L178-F185 HydrophobicContact CG-CG 4.16Å; C179-F185 PolarHBondContact SG-O 2.79Å; F182-F185 HydrophobicContact CB-CD2 3.61Å; F182-F185 HydrophobicContact CB-CE2 4.08Å; F182-F185 PolarHBondContact O-N 2.68Å; P183-F185 PolarHBondContact O-N 2.7Å; F185-Q197 HydrophobicContact CB-CG 4.45Å; F185-Q197 HydrophobicContact CD1-CB 3.73Å; F185-Q197 HydrophobicContact CD1-CG 3.69Å; F185-Q197 HydrophobicContact CE1-CB 3.93Å; F185-Q197 HydrophobicContact CE1-CG 4.36Å; F185-Q197 HydrophobicContact CG-CG 4.42Å; F185-E201 HydrophobicContact CZ-CG 4.44Å; F185-L202 HydrophobicContact CE1-CB 3.95Å; F185-L202 HydrophobicContact CE1-CD1 4.14Å; F185-L202 HydrophobicContact CZ-CB 4.15Å; F185-L202 HydrophobicContact CZ-CD1 4.1Å; F185-L205 HydrophobicContact CD2-CD2 4.44Å; F185-L205 HydrophobicContact CE2-CD2 3.5Å; F185-L205 HydrophobicContact CZ-CD2 4.04Å
186A92.4Very high90.8Very high33 Ų3368.7 Ų68.727%0.27335%0.348SS..G310 helixtrans-91.81.3-179.200000114C179 P183 Q184 K188 Y194C179-A186 HydrophobicContact CB-CB 3.85Å; P183-A186 WeakPolarHBondContact O-CB 3.35Å; P183-A186 PolarHBondContact O-N 3.28Å; Q184-A186 VanDerWaalsContact C-N 3.3Å; A186-K188 PolarHBondContact O-N 3.11Å; A186-Y194 HydrophobicContact CB-CE1 4.39Å
187T91.3Very high90.8Very high64 Ų6464.5 Ų64.539%0.39333%0.328SS..  trans-59.3136.8177.6-52.60000110.6Q184 Y194 Q195Q184-T187 PolarHBondContact O-OG1 3.3Å; T187-Y194 WeakPolarHBondContact O-CA 3.31Å; T187-Q195 HydrophobicContact CG2-CG 4.26Å; T187-Q195 PolarHBondContact O-N 3.37Å
188K90.3Very high90.7Very high117 Ų11765.3 Ų65.351%0.50933%0.334SS..BIsolated β-bridgetrans-113.5147.7-176.3-69.1178.2171.8-166.30112.6A186 G192 R193 Y194 Q195A186-K188 PolarHBondContact O-N 3.11Å; K188-G192 WeakPolarHBondContact CD-O 3.41Å; K188-R193 CarbonylContact C-O 3.59Å; K188-R193 WeakPolarHBondContact CA-O 3.38Å; K188-R193 WeakPolarHBondContact CB-O 3.46Å; K188-Y194 HydrophobicContact CG-CD1 4.1Å; K188-Y194 HydrophobicContact CG-CE1 4.43Å; K188-Q195 PolarHBondContact O-NE2 2.84Å
189D86.2Confident90.7Very high34 Ų3465.2 Ų65.218%0.18233%0.333CS..  trans-74.7174.117169.34.2000110.9Q191 G192 R193 Q195D189-Q191 PolarHBondContact O-N 2.87Å; D189-Q191 VanDerWaalsContact OD1-C 3.32Å; D189-Q191 WeakPolarHBondContact OD1-CA 3.27Å; D189-Q191 WeakPolarHBondContact OD1-CB 3.5Å; D189-Q191 PolarHBondContact OD1-N 3.24Å; D189-G192 PolarHBondContact O-N 3.31Å; D189-G192 PolarHBondContact OD1-N 2.97Å; D189-R193 PolarHBondContact N-O 3.36Å; D189-R193 PolarHBondContact OD1-N 3.05Å; D189-R193 IonicContact OD2-CZ 2.85Å; D189-R193 IonicContact OD2-NE 3.1Å; D189-R193 PolarHBondContact OD2-NE 2.85Å; D189-R193 IonicContact OD2-NH2 2.75Å; D189-R193 PolarHBondContact OD2-NH2 3.49Å; D189-Q195 HydrophobicContact CB-CG 4.11Å
190D85.6Confident90.8Very high179 Ų17965.2 Ų65.296%0.95733%0.333SS*.THydrogen-bonded Turntrans-59.2-17.2177.8-58.4-32.1000113
191Q84.8Confident90.9Very high144 Ų14461.2 Ų61.267%0.67332%0.317SS*.THydrogen-bonded Turntrans-94.43.4177.8-58.8-173.9-7.700112.8D189 R193D189-Q191 PolarHBondContact O-N 2.87Å; D189-Q191 VanDerWaalsContact OD1-C 3.32Å; D189-Q191 WeakPolarHBondContact OD1-CA 3.27Å; D189-Q191 WeakPolarHBondContact OD1-CB 3.5Å; D189-Q191 PolarHBondContact OD1-N 3.24Å; Q191-R193 VanDerWaalsContact C-N 3.31Å; Q191-R193 PolarHBondContact O-N 3.22Å
192G85.4Confident91.1Very high41 Ų4159.6 Ų59.642%0.42331%0.306SS..SBendtrans77.59178.300000115.2K188 D189K188-G192 WeakPolarHBondContact CD-O 3.41Å; D189-G192 PolarHBondContact O-N 3.31Å; D189-G192 PolarHBondContact OD1-N 2.97Å
193R86.1Confident91.2Very high136 Ų13658.3 Ų58.351%0.51330%0.3SS..SBendtrans-89.8154.4174.8-59176.8-59.2-168.81.5109.9K188 D189 Q191 Q195K188-R193 CarbonylContact C-O 3.59Å; K188-R193 WeakPolarHBondContact CA-O 3.38Å; K188-R193 WeakPolarHBondContact CB-O 3.46Å; D189-R193 PolarHBondContact N-O 3.36Å; D189-R193 PolarHBondContact OD1-N 3.05Å; D189-R193 IonicContact OD2-CZ 2.85Å; D189-R193 IonicContact OD2-NE 3.1Å; D189-R193 PolarHBondContact OD2-NE 2.85Å; D189-R193 IonicContact OD2-NH2 2.75Å; D189-R193 PolarHBondContact OD2-NH2 3.49Å; Q191-R193 VanDerWaalsContact C-N 3.31Å; Q191-R193 PolarHBondContact O-N 3.22Å; R193-Q195 PolarHBondContact O-N 3.06Å
194Y89.1Confident91.4Very high78 Ų7857.2 Ų57.231%0.30629%0.288SS..BIsolated β-bridgetrans-60.5135175-64.6-55.8000111N112 V175 C179 A186 T187 K188N112-Y194 WeakPolarHBondContact CB-O 3.49Å; N112-Y194 PolarHBondContact ND2-O 3.12Å; V175-Y194 HydrophobicContact CG1-CD2 4.32Å; V175-Y194 HydrophobicContact CG1-CE2 4.33Å; C179-Y194 HydrophobicContact CB-CE1 4.29Å; A186-Y194 HydrophobicContact CB-CE1 4.39Å; T187-Y194 WeakPolarHBondContact O-CA 3.31Å; K188-Y194 HydrophobicContact CG-CD1 4.1Å; K188-Y194 HydrophobicContact CG-CE1 4.43Å
195Q89.9Confident91.7Very high58 Ų5854.7 Ų54.727%0.27128%0.277SS..PPolyproline II helixtrans-72.8151.5172.5-63.2-169.3-3.400110T187 K188 D189 R193T187-Q195 HydrophobicContact CG2-CG 4.26Å; T187-Q195 PolarHBondContact O-N 3.37Å; K188-Q195 PolarHBondContact O-NE2 2.84Å; D189-Q195 HydrophobicContact CB-CG 4.11Å; R193-Q195 PolarHBondContact O-N 3.06Å
196Q90Very high91.9Very high9 Ų955.1 Ų55.14%0.04228%0.28CS..PPolyproline II helixtrans-69.2135.6171.1-172.81737.700109.5N112 C114 Y115 G416 Y418N112-Q196 HydrophobicContact CB-CB 3.99Å; C114-Q196 PolarHBondContact SG-NE2 2.81Å; Y115-Q196 HydrophobicContact CD1-CG 4.27Å; Q196-G416 PolarHBondContact NE2-O 3.37Å; Q196-G416 PolarHBondContact OE1-O 3.07Å; Q196-Y418 HydrophobicContact CG-CD2 4.47Å; Q196-Y418 HydrophobicContact CG-CE2 4.1Å; Q196-Y418 VanDerWaalsContact NE2-CE2 3.32Å
197Q92.6Very high92.2Very high25 Ų2553.8 Ų53.812%0.11727%0.268CS..  trans-110.7168.6-177.6-58.6-64.7-25.600111.3Y115 Q184 F185 A199 Y418Y115-Q197 WeakPolarHBondContact CB-O 3.28Å; Y115-Q197 HydrophobicContact CD1-CB 4.3Å; Y115-Q197 HydrophobicContact CD2-CB 4.16Å; Y115-Q197 HydrophobicContact CE1-CB 4.05Å; Y115-Q197 HydrophobicContact CE1-CG 4.27Å; Y115-Q197 HydrophobicContact CE2-CB 3.92Å; Y115-Q197 HydrophobicContact CG-CB 4.37Å; Q184-Q197 PolarHBondContact O-NE2 3.18Å; Q184-Q197 VanDerWaalsContact O-NE2 3.16Å; Q184-Q197 PolarHBondContact O-OE1 2.85Å; F185-Q197 HydrophobicContact CB-CG 4.45Å; F185-Q197 HydrophobicContact CD1-CB 3.73Å; F185-Q197 HydrophobicContact CD1-CG 3.69Å; F185-Q197 HydrophobicContact CE1-CB 3.93Å; F185-Q197 HydrophobicContact CE1-CG 4.36Å; F185-Q197 HydrophobicContact CG-CG 4.42Å; Q197-A199 PolarHBondContact O-N 2.72Å; Q197-Y418 WeakPolarHBondContact O-CE2 3.35Å
198D93Very high92.4Very high50 Ų5059.1 Ų59.127%0.26728%0.281SS..  trans-71.2120.9177.5-167.1-30.5000110.7N200 E201 L202 Y459D198-N200 PolarHBondContact O-N 3.41Å; D198-N200 WeakPolarHBondContact OD1-CB 3.41Å; D198-N200 PolarHBondContact OD1-N 3.08Å; D198-E201 HydrophobicContact CB-CB 3.98Å; D198-E201 PolarHBondContact O-N 3.04Å; D198-L202 PolarHBondContact O-N 3.23Å; D198-Y459 VanDerWaalsContact OD1-CE1 3.29Å; D198-Y459 WeakPolarHBondContact OD1-CE1 3.41Å; D198-Y459 PolarHBondContact OD1-OH 3.01Å; D198-Y459 PolarHBondContact OD2-OH 3.27Å
199A95.3Very high92.7Very high0 Ų053.7 Ų53.70%026%0.257CS..Hα-helixtrans-62.6-32177.600000112.5T119 Q197 W203 L406 Y418 Y459T119-A199 PolarHBondContact OG1-O 2.91Å; Q197-A199 PolarHBondContact O-N 2.72Å; A199-W203 WeakPolarHBondContact O-CB 3.47Å; A199-W203 PolarHBondContact O-N 2.76Å; A199-L406 HydrophobicContact CB-CD1 3.97Å; A199-L406 HydrophobicContact CB-CD2 3.94Å; A199-Y418 HydrophobicContact CB-CD1 3.78Å; A199-Y418 HydrophobicContact CB-CD2 4.39Å; A199-Y418 HydrophobicContact CB-CE1 3.66Å; A199-Y418 HydrophobicContact CB-CE2 4.31Å; A199-Y418 HydrophobicContact CB-CG 4.13Å; A199-Y459 HydrophobicContact CB-CE1 4.44Å
200N95.5Very high93.2Very high6 Ų652.1 Ų52.13%0.03225%0.249CC..Hα-helixtrans-72.8-35.2178.3-165.675000111.9D198 W203 L204 Q258 Q311 Y459 V460D198-N200 PolarHBondContact O-N 3.41Å; D198-N200 WeakPolarHBondContact OD1-CB 3.41Å; D198-N200 PolarHBondContact OD1-N 3.08Å; N200-W203 WeakPolarHBondContact O-CB 3.45Å; N200-W203 PolarHBondContact O-N 2.92Å; N200-L204 WeakPolarHBondContact O-CG 3.12Å; N200-L204 PolarHBondContact O-N 2.85Å; N200-Q258 PolarHBondContact ND2-OE1 3.44Å; N200-Q258 PolarHBondContact OD1-NE2 2.9Å; N200-Q258 PolarHBondContact OD1-OE1 2.72Å; N200-Q311 VanDerWaalsContact ND2-CD 3.33Å; N200-Q311 PolarHBondContact ND2-NE2 3.34Å; N200-Q311 VanDerWaalsContact ND2-NE2 3.2Å; N200-Y459 HydrophobicContact CB-CE1 3.81Å; N200-V460 HydrophobicContact CB-CG2 4.28Å; N200-V460 WeakPolarHBondContact OD1-CG2 3.45Å
201E95Very high93.7Very high84 Ų8445.9 Ų45.939%0.39322%0.219SC..Hα-helixtrans-63.9-45.4173.8-174.6178.4-170.900110.8F185 D198 W203 L204 L205F185-E201 HydrophobicContact CZ-CG 4.44Å; D198-E201 HydrophobicContact CB-CB 3.98Å; D198-E201 PolarHBondContact O-N 3.04Å; E201-W203 VanDerWaalsContact C-N 3.35Å; E201-W203 PolarHBondContact O-N 2.78Å; E201-L204 PolarHBondContact O-N 2.49Å; E201-L205 WeakPolarHBondContact O-CB 3.27Å; E201-L205 PolarHBondContact O-N 3.2Å
202L97.3Very high94.1Very high0 Ų044.9 Ų44.90%022%0.215CC..Hα-helixtrans-60.7-44.5173.5-179.665.2000111.6Y115 L116 T119 L178 F185 D198 L204 L205 L206Y115-L202 HydrophobicContact CD2-CB 4.27Å; Y115-L202 HydrophobicContact CD2-CD2 3.7Å; Y115-L202 HydrophobicContact CE2-CD2 3.82Å; L116-L202 HydrophobicContact CB-CD2 4.1Å; L116-L202 HydrophobicContact CD1-CD2 3.62Å; L116-L202 HydrophobicContact CG-CD2 4.49Å; T119-L202 HydrophobicContact CG2-CD2 4.16Å; T119-L202 HydrophobicContact CG2-CG 4.18Å; L178-L202 HydrophobicContact CD1-CD1 4.14Å; L178-L202 HydrophobicContact CD2-CD1 4Å; F185-L202 HydrophobicContact CE1-CB 3.95Å; F185-L202 HydrophobicContact CE1-CD1 4.14Å; F185-L202 HydrophobicContact CZ-CB 4.15Å; F185-L202 HydrophobicContact CZ-CD1 4.1Å; D198-L202 PolarHBondContact O-N 3.23Å; L202-L204 PolarHBondContact O-N 3.48Å; L202-L205 PolarHBondContact O-N 3.26Å; L202-L206 HydrophobicContact CD1-CD1 4.28Å; L202-L206 HydrophobicContact CD1-CD2 4.25Å; L202-L206 HydrophobicContact CD1-CG 4Å; L202-L206 HydrophobicContact CG-CD1 4.16Å; L202-L206 HydrophobicContact CG-CG 4.22Å; L202-L206 VanDerWaalsContact O-CG 3.31Å; L202-L206 WeakPolarHBondContact O-CG 3.34Å; L202-L206 PolarHBondContact O-N 2.79Å
203W98Very high94.4Very high1 Ų144 Ų440%0.00420%0.2CC..Hα-helixtrans-53.2-52.6177.5-177.4-75.3000111.7T119 C122 L123 A199 N200 E201 L206 L207 T309 L406 L462T119-W203 HydrophobicContact CG2-CB 4.11Å; T119-W203 HydrophobicContact CG2-CE3 4Å; C122-W203 HydrophobicContact CB-CH2 3.98Å; C122-W203 HydrophobicContact CB-CZ3 3.48Å; C122-W203 VanDerWaalsContact CB-CZ3 3.48Å; L123-W203 HydrophobicContact CD2-CD2 4.02Å; L123-W203 HydrophobicContact CD2-CE3 4.15Å; L123-W203 HydrophobicContact CD2-CH2 3.66Å; L123-W203 HydrophobicContact CD2-CZ2 3.51Å; L123-W203 HydrophobicContact CD2-CZ3 3.99Å; L123-W203 HydrophobicContact CG-CD2 4.35Å; L123-W203 HydrophobicContact CG-CE3 4.08Å; L123-W203 HydrophobicContact CG-CH2 4.11Å; L123-W203 HydrophobicContact CG-CZ2 4.38Å; L123-W203 HydrophobicContact CG-CZ3 3.97Å; A199-W203 WeakPolarHBondContact O-CB 3.47Å; A199-W203 PolarHBondContact O-N 2.76Å; N200-W203 WeakPolarHBondContact O-CB 3.45Å; N200-W203 PolarHBondContact O-N 2.92Å; E201-W203 VanDerWaalsContact C-N 3.35Å; E201-W203 PolarHBondContact O-N 2.78Å; W203-L206 PolarHBondContact O-N 2.85Å; W203-L207 VanDerWaalsContact NE1-CD1 3.33Å; W203-L207 WeakPolarHBondContact O-CG 3.27Å; W203-L207 PolarHBondContact O-N 2.89Å; W203-T309 HydrophobicContact CZ2-CG2 3.84Å; W203-L406 HydrophobicContact CE3-CD1 4.46Å; W203-L462 HydrophobicContact CH2-CB 4.27Å; W203-L462 HydrophobicContact CH2-CD2 4.08Å; W203-L462 HydrophobicContact CZ2-CD1 4.32Å
204L97.5Very high94.8Very high70 Ų7038.1 Ų38.137%0.36618%0.179SC..Hα-helixtrans-66.6-38.6-179.4-67.2174.4000112N200 E201 L202 L207 R208 Q258N200-L204 WeakPolarHBondContact O-CG 3.12Å; N200-L204 PolarHBondContact O-N 2.85Å; E201-L204 PolarHBondContact O-N 2.49Å; L202-L204 PolarHBondContact O-N 3.48Å; L204-L207 PolarHBondContact O-N 3.49Å; L204-R208 WeakPolarHBondContact O-CB 3.3Å; L204-R208 PolarHBondContact O-N 3.34Å; L204-Q258 HydrophobicContact CD2-CB 4.45Å
205L97.4Very high95Very high20 Ų2035.9 Ų35.911%0.10517%0.174CC..Hα-helixtrans-59.5-48.5174.1174.662.2000111.4L178 F182 F185 E201 L202 L207 R208 L209L178-L205 HydrophobicContact CD1-CD2 4.38Å; F182-L205 HydrophobicContact CB-CD2 4.49Å; F182-L205 HydrophobicContact CD1-CD1 4.13Å; F182-L205 HydrophobicContact CD1-CD2 3.98Å; F182-L205 HydrophobicContact CD2-CD2 3.99Å; F182-L205 HydrophobicContact CE1-CD1 3.64Å; F182-L205 HydrophobicContact CE1-CD2 4.2Å; F182-L205 HydrophobicContact CE2-CD2 4.22Å; F182-L205 HydrophobicContact CG-CD2 3.87Å; F182-L205 HydrophobicContact CZ-CD1 3.87Å; F182-L205 HydrophobicContact CZ-CD2 4.32Å; F185-L205 HydrophobicContact CD2-CD2 4.44Å; F185-L205 HydrophobicContact CE2-CD2 3.5Å; F185-L205 HydrophobicContact CZ-CD2 4.04Å; E201-L205 WeakPolarHBondContact O-CB 3.27Å; E201-L205 PolarHBondContact O-N 3.2Å; L202-L205 PolarHBondContact O-N 3.26Å; L205-L207 VanDerWaalsContact C-N 3.33Å; L205-L207 PolarHBondContact O-N 2.93Å; L205-R208 PolarHBondContact O-N 2.96Å; L205-L209 HydrophobicContact CD1-CD1 4.13Å; L205-L209 HydrophobicContact CD1-CG 4.11Å; L205-L209 HydrophobicContact CG-CD1 4.21Å; L205-L209 WeakPolarHBondContact O-CG 3.03Å; L205-L209 PolarHBondContact O-N 3.34Å
206L97.4Very high95.1Very high9 Ų935.3 Ų35.35%0.04718%0.175CC..Hα-helixtrans-63.6-39.6-179.5-68.2-174.1000111.8T119 L120 L123 L154 L202 W203 A210T119-L206 HydrophobicContact CG2-CD1 4.08Å; L120-L206 HydrophobicContact CD2-CD1 3.71Å; L123-L206 HydrophobicContact CD1-CB 4.2Å; L123-L206 HydrophobicContact CD1-CD1 3.9Å; L154-L206 HydrophobicContact CD2-CD1 4.41Å; L154-L206 HydrophobicContact CD2-CD2 3.83Å; L202-L206 HydrophobicContact CD1-CD1 4.28Å; L202-L206 HydrophobicContact CD1-CD2 4.25Å; L202-L206 HydrophobicContact CD1-CG 4Å; L202-L206 HydrophobicContact CG-CD1 4.16Å; L202-L206 HydrophobicContact CG-CG 4.22Å; L202-L206 VanDerWaalsContact O-CG 3.31Å; L202-L206 WeakPolarHBondContact O-CG 3.34Å; L202-L206 PolarHBondContact O-N 2.79Å; W203-L206 PolarHBondContact O-N 2.85Å; L206-A210 WeakPolarHBondContact O-CB 3.35Å; L206-A210 PolarHBondContact O-N 2.89Å
207L97.7Very high95.3Very high4 Ų435.6 Ų35.62%0.02118%0.179CC..Hα-helixtrans-66.7-40.2174.9-67.6-173.2000112.1L123 L129 W203 L204 L205 A210 S211 V229 L233 V257L123-L207 HydrophobicContact CD2-CD2 4.02Å; L129-L207 HydrophobicContact CD2-CD2 4.19Å; W203-L207 VanDerWaalsContact NE1-CD1 3.33Å; W203-L207 WeakPolarHBondContact O-CG 3.27Å; W203-L207 PolarHBondContact O-N 2.89Å; L204-L207 PolarHBondContact O-N 3.49Å; L205-L207 VanDerWaalsContact C-N 3.33Å; L205-L207 PolarHBondContact O-N 2.93Å; L207-A210 PolarHBondContact O-N 3.41Å; L207-S211 WeakPolarHBondContact O-CB 3.37Å; L207-S211 PolarHBondContact O-N 2.99Å; L207-V229 HydrophobicContact CB-CG1 4.29Å; L207-V229 HydrophobicContact CB-CG2 4.46Å; L207-V229 HydrophobicContact CD2-CG2 4.22Å; L207-V229 WeakPolarHBondContact O-CG2 3.3Å; L207-L233 HydrophobicContact CD1-CD2 4.24Å; L207-L233 HydrophobicContact CD2-CD2 4.21Å; L207-V257 HydrophobicContact CD1-CG1 3.52Å
208R97Very high95.2Very high176 Ų17637.2 Ų37.266%0.66418%0.184SC*.Hα-helixtrans-58.8-51.5174.4178.1-178.4171.7-178.50.5111.2L204 L205 A210 S211 E212L204-R208 WeakPolarHBondContact O-CB 3.3Å; L204-R208 PolarHBondContact O-N 3.34Å; L205-R208 PolarHBondContact O-N 2.96Å; R208-A210 VanDerWaalsContact C-N 3.3Å; R208-A210 PolarHBondContact O-N 3.27Å; R208-S211 PolarHBondContact O-N 3.48Å; R208-E212 PolarHBondContact O-N 2.75Å
209L96.1Very high95.1Very high3 Ų341.2 Ų41.22%0.01620%0.199CC..Hα-helixtrans-62.5-38.6178.3-66.3178.9000111.9N147 L150 M151 F182 L205 S211 E212 L213N147-L209 HydrophobicContact CB-CD2 4.07Å; L150-L209 HydrophobicContact CD2-CD1 3.91Å; M151-L209 HydrophobicContact SD-CB 3.81Å; F182-L209 HydrophobicContact CE2-CD1 3.92Å; F182-L209 HydrophobicContact CZ-CD1 3.83Å; F182-L209 HydrophobicContact CZ-CD2 4.16Å; F182-L209 HydrophobicContact CZ-CG 4.47Å; L205-L209 HydrophobicContact CD1-CD1 4.13Å; L205-L209 HydrophobicContact CD1-CG 4.11Å; L205-L209 HydrophobicContact CG-CD1 4.21Å; L205-L209 WeakPolarHBondContact O-CG 3.03Å; L205-L209 PolarHBondContact O-N 3.34Å; L209-S211 VanDerWaalsContact C-N 3.34Å; L209-E212 PolarHBondContact O-N 3.1Å; L209-L213 HydrophobicContact CD2-CD1 4.36Å; L209-L213 VanDerWaalsContact O-CB 3.29Å; L209-L213 WeakPolarHBondContact O-CB 3.29Å; L209-L213 PolarHBondContact O-N 2.88Å
210A96.2Very high94.6Very high1 Ų142.9 Ų42.91%0.00821%0.21CC..Hα-helixtrans-63.9-38.7175.400000112.5L129 F133 M151 L206 L207 R208 L214 V229L129-A210 HydrophobicContact CD1-CB 4.08Å; F133-A210 HydrophobicContact CZ-CB 4.48Å; M151-A210 HydrophobicContact CE-CB 4.01Å; L206-A210 WeakPolarHBondContact O-CB 3.35Å; L206-A210 PolarHBondContact O-N 2.89Å; L207-A210 PolarHBondContact O-N 3.41Å; R208-A210 VanDerWaalsContact C-N 3.3Å; R208-A210 PolarHBondContact O-N 3.27Å; A210-L214 HydrophobicContact CB-CD1 3.76Å; A210-L214 HydrophobicContact CB-CG 4.21Å; A210-L214 VanDerWaalsContact O-CB 3.22Å; A210-L214 WeakPolarHBondContact O-CB 3.3Å; A210-L214 WeakPolarHBondContact O-CG 3.41Å; A210-L214 PolarHBondContact O-N 3.11Å; A210-V229 HydrophobicContact CB-CG2 3.96Å
211S95.4Very high94Very high48 Ų4849.4 Ų49.434%0.33625%0.25SC..Hα-helixtrans-68.1-36.1177-164.70000112.5L207 R208 L209 S227L207-S211 WeakPolarHBondContact O-CB 3.37Å; L207-S211 PolarHBondContact O-N 2.99Å; R208-S211 PolarHBondContact O-N 3.48Å; L209-S211 VanDerWaalsContact C-N 3.34Å; S211-S227 WeakPolarHBondContact O-CB 3.3Å; S211-S227 PolarHBondContact OG-OG 2.86Å
212E93.6Very high93.5Very high124 Ų12452.3 Ų52.358%0.57927%0.268SS*.Hα-helixtrans-80.5-38-177.8-175.8-177.3159.200113.2R208 L209R208-E212 PolarHBondContact O-N 2.75Å; L209-E212 PolarHBondContact O-N 3.1Å
213L93.2Very high92.9Very high22 Ų2254.7 Ų54.712%0.11529%0.292CS..Hα-helixtrans-112.8-23-164.3-59.5175.1000115F136 N147 R148 M151 L209F136-L213 VanDerWaalsContact CE2-O 3.27Å; F136-L213 WeakPolarHBondContact CE2-O 3.25Å; N147-L213 HydrophobicContact CB-CD1 3.63Å; R148-L213 HydrophobicContact CG-CD1 4.44Å; R148-L213 HydrophobicContact CG-CD2 4.02Å; M151-L213 HydrophobicContact CG-CB 4.17Å; M151-L213 HydrophobicContact CG-CD1 3.71Å; L209-L213 HydrophobicContact CD2-CD1 4.36Å; L209-L213 VanDerWaalsContact O-CB 3.29Å; L209-L213 WeakPolarHBondContact O-CB 3.29Å; L209-L213 PolarHBondContact O-N 2.88Å
214L93.8Very high92.5Very high12 Ų1257.4 Ų57.46%0.06331%0.312CS..SBendtrans-70.2150.9176.3-65.2179.4000110.3L129 F133 F136 M151 A210 Y228L129-L214 HydrophobicContact CD1-CD1 4.11Å; F133-L214 HydrophobicContact CD1-CD2 3.93Å; F133-L214 HydrophobicContact CD2-CD1 4.41Å; F133-L214 HydrophobicContact CE1-CD2 4.19Å; F133-L214 HydrophobicContact CE2-CD1 4.34Å; F133-L214 HydrophobicContact CG-CD2 4.31Å; F133-L214 HydrophobicContact CZ-CD1 4.49Å; F136-L214 HydrophobicContact CB-CD2 3.72Å; F136-L214 HydrophobicContact CD2-CD2 4.35Å; F136-L214 HydrophobicContact CG-CD2 3.98Å; M151-L214 HydrophobicContact CE-CD2 3.86Å; M151-L214 HydrophobicContact CE-CG 3.96Å; A210-L214 HydrophobicContact CB-CD1 3.76Å; A210-L214 HydrophobicContact CB-CG 4.21Å; A210-L214 VanDerWaalsContact O-CB 3.22Å; A210-L214 WeakPolarHBondContact O-CB 3.3Å; A210-L214 WeakPolarHBondContact O-CG 3.41Å; A210-L214 PolarHBondContact O-N 3.11Å; L214-Y228 HydrophobicContact CB-CD2 4.22Å; L214-Y228 HydrophobicContact CD1-CD2 4.32Å
215P92.2Very high92.3Very high32 Ų3259.3 Ų59.321%0.20832%0.319CS..PPolyproline II helixtrans-59.2152.8172.6-18.333.1000109.8K135 F136 A217 Y228K135-P215 HydrophobicContact CB-CG 4.44Å; F136-P215 HydrophobicContact CB-CG 4.48Å; F136-P215 HydrophobicContact CD2-CG 4.4Å; P215-A217 PolarHBondContact O-N 2.76Å; P215-Y228 WeakPolarHBondContact O-CD2 2.89Å; P215-Y228 WeakPolarHBondContact O-CE2 3.36Å
216P93.3Very high92.1Very high45 Ų4561.4 Ų61.429%0.29233%0.327SS..PPolyproline II helixtrans-57.2143.3178.524.9-35.1000111.2E225P216-E225 HydrophobicContact CB-CB 3.91Å; P216-E225 HydrophobicContact CB-CG 4.02Å; P216-E225 HydrophobicContact CG-CB 4.5Å; P216-E225 HydrophobicContact CG-CG 4.14Å
217A93.2Very high92Very high15 Ų1561.7 Ų61.712%0.12433%0.33CS..SBendtrans-66.4-47.1176.600000110.5P215 K226 Y228 A231 Y232P215-A217 PolarHBondContact O-N 2.76Å; A217-K226 WeakPolarHBondContact CB-O 3.39Å; A217-K226 PolarHBondContact N-O 3.14Å; A217-Y228 HydrophobicContact CB-CD1 3.74Å; A217-Y228 HydrophobicContact CB-CD2 4.17Å; A217-Y228 HydrophobicContact CB-CE1 3.83Å; A217-Y228 HydrophobicContact CB-CE2 4.24Å; A217-Y228 HydrophobicContact CB-CG 3.91Å; A217-A231 HydrophobicContact CB-CB 4.45Å; A217-Y232 HydrophobicContact CB-CE2 4.07Å
218Y91.9Very high91.9Very high59 Ų5961.8 Ų61.823%0.23133%0.33CS..EExtended strand (participates in β ladder)trans-159.6169.9174.958.9-87.4000110T220 K226 A231 V392Y218-T220 HydrophobicContact CE2-CG2 4.32Å; Y218-K226 HydrophobicContact CE1-CB 4.27Å; Y218-K226 HydrophobicContact CE2-CB 4.15Å; Y218-K226 HydrophobicContact CE2-CG 4.15Å; Y218-K226 PolarHBondContact O-N 2.94Å; Y218-K226 VanDerWaalsContact O-N 3.08Å; Y218-A231 HydrophobicContact CE1-CB 3.62Å; Y218-V392 HydrophobicContact CE1-CB 4.25Å; Y218-V392 HydrophobicContact CE1-CG1 4.27Å; Y218-V392 PolarHBondContact OH-O 3.34Å
219K89.7Confident91.9Very high134 Ų13453.6 Ų53.658%0.58330%0.299SS*.EExtended strand (participates in β ladder)trans-102.5137.1170-59.6-167.5177.1-140.60108.7S224 E225K219-S224 CarbonylContact C-O 3.44Å; K219-S224 WeakPolarHBondContact CA-O 3.32Å; K219-E225 HydrophobicContact CD-CG 4.35Å; K219-E225 WeakPolarHBondContact CE-OE1 3.42Å; K219-E225 HydrophobicContact CG-CG 3.98Å; K219-E225 IonicContact NZ-OE1 2.65Å; K219-E225 PolarHBondContact NZ-OE1 3.27Å
220T85.1Confident91.9Very high35 Ų3554.4 Ų54.422%0.21531%0.305CS..  trans-72.2169.7172.8640000110.5Y218 D222 G223 S224 K226Y218-T220 HydrophobicContact CE2-CG2 4.32Å; T220-D222 PolarHBondContact O-N 3.37Å; T220-D222 PolarHBondContact OG1-N 3.07Å; T220-G223 PolarHBondContact O-N 3.22Å; T220-S224 WeakPolarHBondContact CG2-OG 3.49Å; T220-S224 PolarHBondContact N-O 2.88Å; T220-S224 PolarHBondContact OG1-N 3.41Å; T220-S224 PolarHBondContact OG1-O 2.71Å; T220-S224 PolarHBondContact OG1-OG 3.37Å; T220-K226 HydrophobicContact CG2-CG 3.9Å
221T82.4Confident91.9Very high143 Ų14354.4 Ų54.488%0.87731%0.305SS*.THydrogen-bonded Turntrans-55.8-32.3173.5480000112.6G223T221-G223 PolarHBondContact O-N 2.74Å
222D85.1Confident92Very high146 Ų14653.5 Ų53.578%0.78130%0.295SS*.THydrogen-bonded Turntrans-84.53.4-177.7-52.3-20.9000112.2T220 S224T220-D222 PolarHBondContact O-N 3.37Å; T220-D222 PolarHBondContact OG1-N 3.07Å; D222-S224 VanDerWaalsContact C-N 3.28Å; D222-S224 PolarHBondContact O-N 3.3Å
223G85.3Confident92.2Very high49 Ų4947.7 Ų47.751%0.50527%0.267SS..SBendtrans81.8-0.6-178.400000114.6T220 T221T220-G223 PolarHBondContact O-N 3.22Å; T221-G223 PolarHBondContact O-N 2.74Å
224S89.9Confident92.4Very high58 Ų5847 Ų4741%0.40627%0.265SS..PPolyproline II helixtrans-71.1138176.869.30000111.4K219 T220 D222K219-S224 CarbonylContact C-O 3.44Å; K219-S224 WeakPolarHBondContact CA-O 3.32Å; T220-S224 WeakPolarHBondContact CG2-OG 3.49Å; T220-S224 PolarHBondContact N-O 2.88Å; T220-S224 PolarHBondContact OG1-N 3.41Å; T220-S224 PolarHBondContact OG1-O 2.71Å; T220-S224 PolarHBondContact OG1-OG 3.37Å; D222-S224 VanDerWaalsContact C-N 3.28Å; D222-S224 PolarHBondContact O-N 3.3Å
225E91.5Very high92.5Very high110 Ų11046.5 Ų46.551%0.51426%0.262SS..EExtended strand (participates in β ladder)trans-90.2124.4-179-79.8179.7-176.300110.4P216 K219P216-E225 HydrophobicContact CB-CB 3.91Å; P216-E225 HydrophobicContact CB-CG 4.02Å; P216-E225 HydrophobicContact CG-CB 4.5Å; P216-E225 HydrophobicContact CG-CG 4.14Å; K219-E225 HydrophobicContact CD-CG 4.35Å; K219-E225 WeakPolarHBondContact CE-OE1 3.42Å; K219-E225 HydrophobicContact CG-CG 3.98Å; K219-E225 IonicContact NZ-OE1 2.65Å; K219-E225 PolarHBondContact NZ-OE1 3.27Å
226K93.4Very high92.7Very high65 Ų6547.8 Ų47.828%0.28327%0.265SS..EExtended strand (participates in β ladder)trans-99.7125.5174.6-74.4-73.7-172.3175.60109.8A217 Y218 T220 A231A217-K226 WeakPolarHBondContact CB-O 3.39Å; A217-K226 PolarHBondContact N-O 3.14Å; Y218-K226 HydrophobicContact CE1-CB 4.27Å; Y218-K226 HydrophobicContact CE2-CB 4.15Å; Y218-K226 HydrophobicContact CE2-CG 4.15Å; Y218-K226 PolarHBondContact O-N 2.94Å; Y218-K226 VanDerWaalsContact O-N 3.08Å; T220-K226 HydrophobicContact CG2-CG 3.9Å; K226-A231 HydrophobicContact CB-CB 4.38Å
227S95.8Very high92.9Very high15 Ų1546 Ų4611%0.10525%0.253CS..PPolyproline II helixtrans-69.1161.3171.676.10000110.8S211 V229 S230 A231S211-S227 WeakPolarHBondContact O-CB 3.3Å; S211-S227 PolarHBondContact OG-OG 2.86Å; S227-V229 PolarHBondContact O-N 2.83Å; S227-S230 PolarHBondContact N-OG 2.92Å; S227-S230 PolarHBondContact O-N 2.93Å; S227-S230 PolarHBondContact O-OG 3.39Å; S227-S230 VanDerWaalsContact O-OG 3.11Å; S227-S230 WeakPolarHBondContact OG-CB 3.25Å; S227-S230 PolarHBondContact OG-N 3.21Å; S227-S230 PolarHBondContact OG-OG 3.19Å; S227-A231 VanDerWaalsContact O-CB 3.22Å; S227-A231 WeakPolarHBondContact O-CB 3.24Å; S227-A231 PolarHBondContact O-N 3.3Å
228Y96.2Very high93.1Very high5 Ų549 Ų492%0.0226%0.263CS..Hα-helixtrans-60.5-34174.9-72.7-86.1000112.7E128 K135 L214 P215 A217 Y232E128-Y228 HydrophobicContact CB-CD1 4.35Å; E128-Y228 WeakPolarHBondContact O-CD1 3.28Å; E128-Y228 VanDerWaalsContact O-CE1 3.26Å; E128-Y228 WeakPolarHBondContact O-CE1 3.4Å; K135-Y228 VanDerWaalsContact CD-OH 3.28Å; K135-Y228 WeakPolarHBondContact CD-OH 3.38Å; K135-Y228 VanDerWaalsContact CE-OH 3.27Å; K135-Y228 WeakPolarHBondContact CE-OH 3.32Å; K135-Y228 PolarHBondContact NZ-OH 2.98Å; K135-Y228 VanDerWaalsContact NZ-OH 3.12Å; L214-Y228 HydrophobicContact CB-CD2 4.22Å; L214-Y228 HydrophobicContact CD1-CD2 4.32Å; P215-Y228 WeakPolarHBondContact O-CD2 2.89Å; P215-Y228 WeakPolarHBondContact O-CE2 3.36Å; A217-Y228 HydrophobicContact CB-CD1 3.74Å; A217-Y228 HydrophobicContact CB-CD2 4.17Å; A217-Y228 HydrophobicContact CB-CE1 3.83Å; A217-Y228 HydrophobicContact CB-CE2 4.24Å; A217-Y228 HydrophobicContact CB-CG 3.91Å; Y228-Y232 HydrophobicContact CD1-CD2 4.34Å; Y228-Y232 HydrophobicContact CD1-CE2 4.15Å; Y228-Y232 WeakPolarHBondContact O-CB 3.2Å; Y228-Y232 WeakPolarHBondContact O-CD2 3.11Å; Y228-Y232 PolarHBondContact O-N 2.8Å; Y228-Y232 VanDerWaalsContact O-N 3.15Å
229V97Very high93.3Very high4 Ų446.4 Ų46.42%0.02425%0.253CS..Hα-helixtrans-72.4-51.8179.7-178.40000110.4L207 A210 S227 A231 Y232 L233 T234 V257L207-V229 HydrophobicContact CB-CG1 4.29Å; L207-V229 HydrophobicContact CB-CG2 4.46Å; L207-V229 HydrophobicContact CD2-CG2 4.22Å; L207-V229 WeakPolarHBondContact O-CG2 3.3Å; A210-V229 HydrophobicContact CB-CG2 3.96Å; S227-V229 PolarHBondContact O-N 2.83Å; V229-A231 VanDerWaalsContact C-N 3.29Å; V229-A231 PolarHBondContact O-N 2.81Å; V229-Y232 PolarHBondContact O-N 3.21Å; V229-L233 HydrophobicContact CG1-CB 4.25Å; V229-L233 CarbonylContact O-C 3.59Å; V229-L233 WeakPolarHBondContact O-CA 3.5Å; V229-L233 PolarHBondContact O-N 3.37Å; V229-T234 PolarHBondContact O-N 2.9Å; V229-T234 PolarHBondContact O-OG1 2.59Å; V229-V257 HydrophobicContact CG1-CG1 4.26Å
230S95.3Very high93.5Very high21 Ų2142.4 Ų42.415%0.14724%0.24CC..Hα-helixtrans-60.5-3717858.60000113.2S227 T234 R303S227-S230 PolarHBondContact N-OG 2.92Å; S227-S230 PolarHBondContact O-N 2.93Å; S227-S230 PolarHBondContact O-OG 3.39Å; S227-S230 VanDerWaalsContact O-OG 3.11Å; S227-S230 WeakPolarHBondContact OG-CB 3.25Å; S227-S230 PolarHBondContact OG-N 3.21Å; S227-S230 PolarHBondContact OG-OG 3.19Å; S230-T234 WeakPolarHBondContact CA-OG1 3.29Å; S230-R303 PolarHBondContact O-NH1 3.32Å
231A95.7Very high93.8Very high0 Ų041.8 Ų41.80%024%0.235CC..Hα-helixtrans-68.9-49.3178.200000112.9A217 Y218 K226 S227 V229 R303 G393A217-A231 HydrophobicContact CB-CB 4.45Å; Y218-A231 HydrophobicContact CE1-CB 3.62Å; K226-A231 HydrophobicContact CB-CB 4.38Å; S227-A231 VanDerWaalsContact O-CB 3.22Å; S227-A231 WeakPolarHBondContact O-CB 3.24Å; S227-A231 PolarHBondContact O-N 3.3Å; V229-A231 VanDerWaalsContact C-N 3.29Å; V229-A231 PolarHBondContact O-N 2.81Å; A231-R303 PolarHBondContact O-NH2 3.04Å; A231-R303 VanDerWaalsContact O-NH2 3.07Å; A231-G393 CarbonylContact O-C 3.59Å; A231-G393 VanDerWaalsContact O-C 3.29Å; A231-G393 WeakPolarHBondContact O-CA 3.36Å
232Y97.6Very high94.2Very high29 Ų2938 Ų3811%0.11421%0.207CC..Hα-helixtrans-112.3-20.6-163.2-62.3-78.6000115.5E128 A217 Y228 V229 K306 Y307E128-Y232 HydrophobicContact CB-CD1 4.33Å; E128-Y232 HydrophobicContact CB-CD2 3.82Å; E128-Y232 HydrophobicContact CB-CE1 4.4Å; E128-Y232 HydrophobicContact CB-CE2 3.92Å; E128-Y232 HydrophobicContact CB-CG 4.06Å; E128-Y232 HydrophobicContact CG-CD1 3.96Å; E128-Y232 HydrophobicContact CG-CD2 4.2Å; E128-Y232 HydrophobicContact CG-CE1 3.72Å; E128-Y232 HydrophobicContact CG-CE2 4Å; E128-Y232 HydrophobicContact CG-CG 4.21Å; A217-Y232 HydrophobicContact CB-CE2 4.07Å; Y228-Y232 HydrophobicContact CD1-CD2 4.34Å; Y228-Y232 HydrophobicContact CD1-CE2 4.15Å; Y228-Y232 WeakPolarHBondContact O-CB 3.2Å; Y228-Y232 WeakPolarHBondContact O-CD2 3.11Å; Y228-Y232 PolarHBondContact O-N 2.8Å; Y228-Y232 VanDerWaalsContact O-N 3.15Å; V229-Y232 PolarHBondContact O-N 3.21Å; Y232-K306 HydrophobicContact CD1-CB 4.32Å; Y232-K306 HydrophobicContact CD1-CD 3.92Å; Y232-K306 HydrophobicContact CE1-CD 4.38Å; Y232-K306 PolarHBondContact O-N 3.41Å; Y232-Y307 PolarHBondContact O-N 2.78Å
233L97.7Very high94.4Very high2 Ų231 Ų311%0.0117%0.17CC..THydrogen-bonded Turntrans-118.3-15.2-175.3-66.4106.6000113.8L207 V229L207-L233 HydrophobicContact CD1-CD2 4.24Å; L207-L233 HydrophobicContact CD2-CD2 4.21Å; V229-L233 HydrophobicContact CG1-CB 4.25Å; V229-L233 CarbonylContact O-C 3.59Å; V229-L233 WeakPolarHBondContact O-CA 3.5Å; V229-L233 PolarHBondContact O-N 3.37Å
234T97.7Very high94.4Very high9 Ų934 Ų346%0.05518%0.178CC..  trans-91.9125.8179-59.60000111.5V229 S230 E255 F256 R303V229-T234 PolarHBondContact O-N 2.9Å; V229-T234 PolarHBondContact O-OG1 2.59Å; S230-T234 WeakPolarHBondContact CA-OG1 3.29Å; T234-E255 HydrophobicContact CG2-CB 3.91Å; T234-E255 HydrophobicContact CG2-CG 4.2Å; T234-F256 CarbonylContact C-O 3.55Å; T234-F256 WeakPolarHBondContact CA-O 3.24Å; T234-R303 PolarHBondContact O-NH1 3.42Å
235G96.7Very high94.2Very high1 Ų135.5 Ų35.51%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-101.3177.3166.300000112.1E255 F256 R303G235-E255 WeakPolarHBondContact O-CA 3.49Å; G235-F256 VanDerWaalsContact C-CE1 3.45Å; G235-F256 PolarHBondContact N-O 3.05Å; G235-F256 PolarHBondContact O-N 2.53Å; G235-R303 CarbonylContact C-O 3.5Å; G235-R303 VanDerWaalsContact CA-O 3.24Å; G235-R303 WeakPolarHBondContact CA-O 3.41Å
236E97.3Very high93.8Very high59 Ų5931 Ų3128%0.27616%0.159SC..EExtended strand (participates in β ladder)trans-134.3138177.9-167.2-167.598.600110.1E254 I301 S302 R303E236-E254 CarbonylContact C-O 3.53Å; E236-E254 WeakPolarHBondContact CA-O 3.47Å; E236-I301 CarbonylContact O-C 3.51Å; E236-I301 WeakPolarHBondContact O-CA 3.34Å; E236-S302 WeakPolarHBondContact CB-OG 3.31Å; E236-S302 WeakPolarHBondContact CG-OG 3.39Å; E236-S302 PolarHBondContact O-N 2.95Å; E236-S302 PolarHBondContact O-OG 3.12Å; E236-S302 PolarHBondContact OE1-OG 3.23Å; E236-R303 HydrophobicContact CB-CB 3.71Å; E236-R303 PolarHBondContact N-O 2.96Å; E236-R303 PolarHBondContact O-N 3.14Å
237F97.1Very high93.4Very high8 Ų834 Ų344%0.03518%0.179CC..EExtended strand (participates in β ladder)trans-98.7135.8168.3-69-62.6000110I239 T253 E254 F256 L259 M278 H299 A300 I301F237-I239 HydrophobicContact CB-CG1 4.11Å; F237-T253 CarbonylContact O-C 3.58Å; F237-T253 VanDerWaalsContact O-CA 3.25Å; F237-T253 WeakPolarHBondContact O-CA 3.24Å; F237-E254 PolarHBondContact N-O 3.2Å; F237-E254 PolarHBondContact O-N 3.36Å; F237-F256 HydrophobicContact CD1-CD1 4.3Å; F237-F256 HydrophobicContact CD1-CE1 4.03Å; F237-F256 HydrophobicContact CD2-CB 4.32Å; F237-F256 AromaticContact CD2-CD1 3.33Å; F237-F256 HydrophobicContact CD2-CD1 3.33Å; F237-F256 AromaticContact CD2-CE1 3.92Å; F237-F256 HydrophobicContact CD2-CE1 3.92Å; F237-F256 HydrophobicContact CD2-CG 4.11Å; F237-F256 HydrophobicContact CE1-CD1 4.21Å; F237-F256 AromaticContact CE1-CE1 3.9Å; F237-F256 HydrophobicContact CE1-CE1 3.9Å; F237-F256 HydrophobicContact CE2-CB 3.9Å; F237-F256 AromaticContact CE2-CD1 3.2Å; F237-F256 HydrophobicContact CE2-CD1 3.2Å; F237-F256 HydrophobicContact CE2-CD2 4.49Å; F237-F256 AromaticContact CE2-CE1 3.77Å; F237-F256 HydrophobicContact CE2-CE1 3.77Å; F237-F256 AromaticContact CE2-CG 3.62Å; F237-F256 HydrophobicContact CE2-CG 3.62Å; F237-F256 AromaticContact CG-CD1 3.9Å; F237-F256 HydrophobicContact CG-CD1 3.9Å; F237-F256 HydrophobicContact CG-CE1 4.05Å; F237-F256 AromaticContact CZ-CD1 3.69Å; F237-F256 HydrophobicContact CZ-CD1 3.69Å; F237-F256 AromaticContact CZ-CE1 3.77Å; F237-F256 HydrophobicContact CZ-CE1 3.77Å; F237-F256 HydrophobicContact CZ-CG 4.15Å; F237-F256 HydrophobicContact CZ-CZ 4.32Å; F237-L259 HydrophobicContact CE1-CD2 4.2Å; F237-L259 HydrophobicContact CE2-CD2 4.26Å; F237-L259 HydrophobicContact CZ-CD2 3.43Å; F237-L259 VanDerWaalsContact CZ-CD2 3.43Å; F237-M278 HydrophobicContact CE1-CE 3.86Å; F237-M278 HydrophobicContact CE1-SD 3.92Å; F237-M278 HydrophobicContact CZ-CE 4.38Å; F237-H299 HydrophobicContact CD1-CB 4.1Å; F237-H299 HydrophobicContact CE1-CB 4.48Å; F237-H299 HydrophobicContact CG-CB 4.42Å; F237-A300 CarbonylContact C-O 3.58Å; F237-A300 WeakPolarHBondContact CA-O 3.36Å; F237-I301 HydrophobicContact CD1-CG1 3.82Å; F237-I301 HydrophobicContact CE1-CD1 4.36Å; F237-I301 HydrophobicContact CE1-CG1 3.55Å
238F96.8Very high92.9Very high78 Ų7834.7 Ų34.734%0.34218%0.18SC..EExtended strand (participates in β ladder)trans-92.7126155.7-174.8-99.4000108.8T240 T251 T253 A300 T344F238-T240 WeakPolarHBondContact CE1-OG1 3.17Å; F238-T251 HydrophobicContact CE1-CG2 4.22Å; F238-T251 HydrophobicContact CZ-CG2 3.71Å; F238-T253 HydrophobicContact CD2-CG2 4.16Å; F238-A300 PolarHBondContact N-O 3.33Å; F238-A300 PolarHBondContact O-N 2.83Å; F238-T344 HydrophobicContact CB-CG2 3.78Å; F238-T344 HydrophobicContact CD1-CG2 4.47Å; F238-T344 HydrophobicContact CG-CG2 4.43Å
239I95.5Very high92.6Very high4 Ų438.5 Ų38.52%0.02120%0.204CC..EExtended strand (participates in β ladder)trans-113.5126.8-172.5-52.8-175.7000108.1F237 T251 D252 E254 R297 K298 H299F237-I239 HydrophobicContact CB-CG1 4.11Å; I239-T251 CarbonylContact O-C 3.45Å; I239-T251 VanDerWaalsContact O-CA 3.22Å; I239-T251 WeakPolarHBondContact O-CA 3.43Å; I239-D252 HydrophobicContact CB-CB 4.35Å; I239-D252 PolarHBondContact N-O 2.74Å; I239-D252 PolarHBondContact O-N 3.36Å; I239-E254 HydrophobicContact CD1-CB 3.7Å; I239-R297 HydrophobicContact CG2-CG 3.5Å; I239-R297 VanDerWaalsContact CG2-CG 3.5Å; I239-K298 CarbonylContact C-O 3.5Å; I239-K298 VanDerWaalsContact CA-O 3.31Å; I239-K298 WeakPolarHBondContact CA-O 3.24Å; I239-H299 VanDerWaalsContact CD1-CD2 3.48Å; I239-H299 WeakPolarHBondContact CD1-CD2 3.39Å
240T93.8Very high92.3Very high49 Ų4942.1 Ų42.130%0.30122%0.221SC..EExtended strand (participates in β ladder)trans-116.3122.6173.2-55.20000108.8F238 T249 K298F238-T240 WeakPolarHBondContact CE1-OG1 3.17Å; T240-T249 HydrophobicContact CG2-CG2 3.93Å; T240-K298 PolarHBondContact N-O 3.33Å; T240-K298 PolarHBondContact O-N 3.1Å
241M91.4Very high92.2Very high22 Ų2245.5 Ų45.511%0.10824%0.241CC..EExtended strand (participates in β ladder)trans-112.3117.9179.7-170.9175.469.400108.9T249 E250 K284 F295 E296M241-T249 CarbonylContact O-C 3.49Å; M241-T249 VanDerWaalsContact O-CA 3.26Å; M241-T249 WeakPolarHBondContact O-CA 3.43Å; M241-E250 HydrophobicContact CB-CB 4.36Å; M241-E250 HydrophobicContact CE-CB 4Å; M241-E250 HydrophobicContact CE-CG 4.04Å; M241-E250 WeakPolarHBondContact CE-OE2 3.38Å; M241-E250 PolarHBondContact N-O 3.26Å; M241-E250 PolarHBondContact O-N 3.39Å; M241-K284 HydrophobicContact CE-CD 4.05Å; M241-F295 HydrophobicContact CE-CD1 3.86Å; M241-F295 HydrophobicContact CE-CE1 4.14Å; M241-F295 HydrophobicContact CE-CG 4.13Å; M241-F295 HydrophobicContact CG-CB 3.46Å; M241-F295 VanDerWaalsContact CG-CB 3.46Å; M241-F295 HydrophobicContact CG-CD1 3.68Å; M241-F295 HydrophobicContact CG-CG 3.85Å; M241-F295 HydrophobicContact SD-CB 3.75Å; M241-F295 HydrophobicContact SD-CD1 4.11Å; M241-F295 HydrophobicContact SD-CG 3.94Å; M241-E296 WeakPolarHBondContact CA-O 3.47Å
242H92.1Very high92.1Very high64 Ų6450.1 Ų50.130%0.29627%0.266SS..EExtended strand (participates in β ladder)trans-125.4132.8-177.2177.468.9000111E248 T249 E296H242-E248 WeakPolarHBondContact CA-O 3.38Å; H242-T249 PolarHBondContact ND1-OG1 2.62Å; H242-T249 VanDerWaalsContact ND1-OG1 3.17Å; H242-E296 PolarHBondContact N-O 2.89Å; H242-E296 PolarHBondContact O-N 2.79Å
243S87.8Confident92Very high0 Ų052.6 Ų52.60%028%0.284CS..  trans-107.3127.2169.1-175.60000110.7E245 S246 N247 E248 V294S243-E245 VanDerWaalsContact C-N 3.26Å; S243-E245 PolarHBondContact O-N 2.79Å; S243-E245 PolarHBondContact OG-N 3.12Å; S243-S246 VanDerWaalsContact CB-OG 3.3Å; S243-S246 WeakPolarHBondContact CB-OG 3.39Å; S243-S246 PolarHBondContact OG-N 3.12Å; S243-N247 VanDerWaalsContact O-CA 3.24Å; S243-N247 WeakPolarHBondContact O-CA 3.01Å; S243-N247 PolarHBondContact O-N 2.89Å; S243-E248 PolarHBondContact N-O 3.35Å; S243-V294 PolarHBondContact OG-O 2.77Å
244T86.3Confident91.9Very high111 Ų11156.5 Ų56.568%0.68130%0.302SS*.THydrogen-bonded Turntrans-71.1-22.8172.652.90000112.5
245E86.5Confident91.9Very high89 Ų8961.8 Ų61.842%0.41633%0.326SS..THydrogen-bonded Turntrans-83.8-44.1-178.4-69.2-174.7-125.600112.5S243 L289 R291 V293S243-E245 VanDerWaalsContact C-N 3.26Å; S243-E245 PolarHBondContact O-N 2.79Å; S243-E245 PolarHBondContact OG-N 3.12Å; E245-L289 HydrophobicContact CB-CD1 4.43Å; E245-R291 IonicContact OE2-CZ 3.6Å; E245-R291 IonicContact OE2-NH1 2.8Å; E245-R291 PolarHBondContact OE2-NH1 3.47Å; E245-R291 IonicContact OE2-NH2 2.79Å; E245-R291 PolarHBondContact OE2-NH2 3.08Å; E245-V293 HydrophobicContact CB-CB 4.34Å; E245-V293 HydrophobicContact CB-CG1 4.17Å
246S82.4Confident91.9Very high15 Ų1562.5 Ų62.511%0.10533%0.329CS..THydrogen-bonded Turntrans-95.9-9.5-179.763.90000114S243 E248 S286S243-S246 VanDerWaalsContact CB-OG 3.3Å; S243-S246 WeakPolarHBondContact CB-OG 3.39Å; S243-S246 PolarHBondContact OG-N 3.12Å; S246-E248 VanDerWaalsContact CB-OE2 3.32Å; S246-E248 WeakPolarHBondContact CB-OE2 3.36Å; S246-E248 PolarHBondContact O-N 2.73Å; S246-E248 VanDerWaalsContact O-N 3.12Å; S246-E248 WeakPolarHBondContact OG-CB 3.35Å; S246-E248 VanDerWaalsContact OG-CD 3.31Å; S246-E248 WeakPolarHBondContact OG-CG 3.34Å; S246-E248 PolarHBondContact OG-N 2.82Å; S246-E248 PolarHBondContact OG-OE2 3.2Å; S246-S286 VanDerWaalsContact CB-OG 3.3Å; S246-S286 WeakPolarHBondContact CB-OG 3.3Å
247N84.6Confident91.8Very high129 Ų12961.8 Ų61.869%0.6933%0.328SS*.  trans54.817-168-77.3-35000113.9S243S243-N247 VanDerWaalsContact O-CA 3.24Å; S243-N247 WeakPolarHBondContact O-CA 3.01Å; S243-N247 PolarHBondContact O-N 2.89Å
248E86.5Confident91.8Very high29 Ų2962.3 Ų62.314%0.13633%0.331CS..  trans-77.1138.8176.4-68.6165.7156.700109.7H242 S243 S246 S286 A287 T288 F295H242-E248 WeakPolarHBondContact CA-O 3.38Å; S243-E248 PolarHBondContact N-O 3.35Å; S246-E248 VanDerWaalsContact CB-OE2 3.32Å; S246-E248 WeakPolarHBondContact CB-OE2 3.36Å; S246-E248 PolarHBondContact O-N 2.73Å; S246-E248 VanDerWaalsContact O-N 3.12Å; S246-E248 WeakPolarHBondContact OG-CB 3.35Å; S246-E248 VanDerWaalsContact OG-CD 3.31Å; S246-E248 WeakPolarHBondContact OG-CG 3.34Å; S246-E248 PolarHBondContact OG-N 2.82Å; S246-E248 PolarHBondContact OG-OE2 3.2Å; E248-S286 PolarHBondContact OE1-OG 2.8Å; E248-S286 VanDerWaalsContact OE1-OG 3.08Å; E248-S286 WeakPolarHBondContact OE2-CB 3.21Å; E248-S286 PolarHBondContact OE2-OG 2.99Å; E248-A287 PolarHBondContact OE1-N 2.83Å; E248-T288 WeakPolarHBondContact OE1-CB 3.46Å; E248-T288 PolarHBondContact OE1-N 3.48Å; E248-T288 PolarHBondContact OE1-OG1 2.83Å; E248-F295 HydrophobicContact CB-CE1 4.01Å; E248-F295 HydrophobicContact CB-CZ 4.41Å; E248-F295 WeakPolarHBondContact OE2-CZ 3.31Å
249T89.7Confident91.8Very high85 Ų8558.7 Ų58.752%0.52132%0.315SS..EExtended strand (participates in β ladder)trans-129123.7173.1-53.40000109T240 M241 H242T240-T249 HydrophobicContact CG2-CG2 3.93Å; M241-T249 CarbonylContact O-C 3.49Å; M241-T249 VanDerWaalsContact O-CA 3.26Å; M241-T249 WeakPolarHBondContact O-CA 3.43Å; H242-T249 PolarHBondContact ND1-OG1 2.62Å; H242-T249 VanDerWaalsContact ND1-OG1 3.17Å
250E89.5Confident91.7Very high81 Ų8159.4 Ų59.438%0.37932%0.321SS..EExtended strand (participates in β ladder)trans-117.1147.7175.6-63179.1-162.300109.2M241 K284M241-E250 HydrophobicContact CB-CB 4.36Å; M241-E250 HydrophobicContact CE-CB 4Å; M241-E250 HydrophobicContact CE-CG 4.04Å; M241-E250 WeakPolarHBondContact CE-OE2 3.38Å; M241-E250 PolarHBondContact N-O 3.26Å; M241-E250 PolarHBondContact O-N 3.39Å; E250-K284 IonicContact OE1-NZ 3.2Å; E250-K284 PolarHBondContact OE1-NZ 3.05Å; E250-K284 IonicContact OE2-NZ 2.7Å; E250-K284 PolarHBondContact OE2-NZ 3.23Å
251T93.5Very high91.7Very high92 Ų9257.1 Ų57.156%0.56431%0.306SS*.EExtended strand (participates in β ladder)trans-126.2140.5176.458.10000110.4F238 I239F238-T251 HydrophobicContact CE1-CG2 4.22Å; F238-T251 HydrophobicContact CZ-CG2 3.71Å; I239-T251 CarbonylContact O-C 3.45Å; I239-T251 VanDerWaalsContact O-CA 3.22Å; I239-T251 WeakPolarHBondContact O-CA 3.43Å
252D94.2Very high91.7Very high97 Ų9760 Ų6052%0.51932%0.318SS..EExtended strand (participates in β ladder)trans-143.3166.8179.5-166.616.1000110.8I239I239-D252 HydrophobicContact CB-CB 4.35Å; I239-D252 PolarHBondContact N-O 2.74Å; I239-D252 PolarHBondContact O-N 3.36Å
253T95.9Very high91.5Very high80 Ų8057.6 Ų57.649%0.49131%0.308SS..EExtended strand (participates in β ladder)trans-128.8132.2177.254.10000110.8F237 F238F237-T253 CarbonylContact O-C 3.58Å; F237-T253 VanDerWaalsContact O-CA 3.25Å; F237-T253 WeakPolarHBondContact O-CA 3.24Å; F238-T253 HydrophobicContact CD2-CG2 4.16Å
254E95.6Very high91.3Very high85 Ų8560.8 Ų60.840%0.39733%0.328SS..EExtended strand (participates in β ladder)trans-132.5128.9-177.1-169.4-178.8150.200111.1E236 F237 I239 R297E236-E254 CarbonylContact C-O 3.53Å; E236-E254 WeakPolarHBondContact CA-O 3.47Å; F237-E254 PolarHBondContact N-O 3.2Å; F237-E254 PolarHBondContact O-N 3.36Å; I239-E254 HydrophobicContact CD1-CB 3.7Å; E254-R297 IonicContact OE2-CZ 3.89Å; E254-R297 IonicContact OE2-NH2 2.71Å; E254-R297 PolarHBondContact OE2-NH2 3.04Å
255E96.5Very high91Very high120 Ų12059.1 Ų59.156%0.56133%0.332SS*.EExtended strand (participates in β ladder)trans-81.8145.2174.7-69.9-169.9163.800111.9T234 G235T234-E255 HydrophobicContact CG2-CB 3.91Å; T234-E255 HydrophobicContact CG2-CG 4.2Å; G235-E255 WeakPolarHBondContact O-CA 3.49Å
256F96.3Very high90.9Very high15 Ų1563.2 Ų63.27%0.06635%0.352CS..EExtended strand (participates in β ladder)trans-136.2141.7174.368-90000112.1T234 G235 F237 L259 I301 L308T234-F256 CarbonylContact C-O 3.55Å; T234-F256 WeakPolarHBondContact CA-O 3.24Å; G235-F256 VanDerWaalsContact C-CE1 3.45Å; G235-F256 PolarHBondContact N-O 3.05Å; G235-F256 PolarHBondContact O-N 2.53Å; F237-F256 HydrophobicContact CD1-CD1 4.3Å; F237-F256 HydrophobicContact CD1-CE1 4.03Å; F237-F256 HydrophobicContact CD2-CB 4.32Å; F237-F256 AromaticContact CD2-CD1 3.33Å; F237-F256 HydrophobicContact CD2-CD1 3.33Å; F237-F256 AromaticContact CD2-CE1 3.92Å; F237-F256 HydrophobicContact CD2-CE1 3.92Å; F237-F256 HydrophobicContact CD2-CG 4.11Å; F237-F256 HydrophobicContact CE1-CD1 4.21Å; F237-F256 AromaticContact CE1-CE1 3.9Å; F237-F256 HydrophobicContact CE1-CE1 3.9Å; F237-F256 HydrophobicContact CE2-CB 3.9Å; F237-F256 AromaticContact CE2-CD1 3.2Å; F237-F256 HydrophobicContact CE2-CD1 3.2Å; F237-F256 HydrophobicContact CE2-CD2 4.49Å; F237-F256 AromaticContact CE2-CE1 3.77Å; F237-F256 HydrophobicContact CE2-CE1 3.77Å; F237-F256 AromaticContact CE2-CG 3.62Å; F237-F256 HydrophobicContact CE2-CG 3.62Å; F237-F256 AromaticContact CG-CD1 3.9Å; F237-F256 HydrophobicContact CG-CD1 3.9Å; F237-F256 HydrophobicContact CG-CE1 4.05Å; F237-F256 AromaticContact CZ-CD1 3.69Å; F237-F256 HydrophobicContact CZ-CD1 3.69Å; F237-F256 AromaticContact CZ-CE1 3.77Å; F237-F256 HydrophobicContact CZ-CE1 3.77Å; F237-F256 HydrophobicContact CZ-CG 4.15Å; F237-F256 HydrophobicContact CZ-CZ 4.32Å; F256-L259 HydrophobicContact CD2-CD2 3.65Å; F256-L259 HydrophobicContact CD2-CG 4.15Å; F256-L259 HydrophobicContact CE1-CD2 4.41Å; F256-L259 HydrophobicContact CE2-CD2 3.42Å; F256-L259 VanDerWaalsContact CE2-CD2 3.42Å; F256-L259 HydrophobicContact CE2-CG 3.75Å; F256-L259 HydrophobicContact CG-CD2 4.27Å; F256-L259 HydrophobicContact CZ-CD2 3.82Å; F256-L259 HydrophobicContact CZ-CG 4.44Å; F256-I301 HydrophobicContact CE1-CG1 4.44Å; F256-I301 HydrophobicContact CE1-CG2 4.43Å; F256-I301 HydrophobicContact CZ-CD1 4.4Å; F256-I301 HydrophobicContact CZ-CG1 4.4Å; F256-I301 HydrophobicContact CZ-CG2 4.37Å; F256-L308 HydrophobicContact CE2-CD1 4.05Å
257V96.9Very high91.1Very high44 Ų4462.8 Ų62.827%0.26735%0.348SS..SBendtrans-97.9-20.9173-178.20000111.4L207 V229L207-V257 HydrophobicContact CD1-CG1 3.52Å; V229-V257 HydrophobicContact CG1-CG1 4.26Å
258Q96.2Very high91.5Very high19 Ų1963.5 Ų63.59%0.08935%0.345CS..SBendtrans-147.2132.7-175.3-169.4173.63600110.8N200 L204 T309 Q311N200-Q258 PolarHBondContact ND2-OE1 3.44Å; N200-Q258 PolarHBondContact OD1-NE2 2.9Å; N200-Q258 PolarHBondContact OD1-OE1 2.72Å; L204-Q258 HydrophobicContact CD2-CB 4.45Å; Q258-T309 WeakPolarHBondContact CA-O 3.33Å; Q258-T309 HydrophobicContact CG-CG2 3.83Å; Q258-Q311 HydrophobicContact CG-CB 4.03Å
259L96.1Very high91.8Very high3 Ų366.8 Ų66.82%0.01636%0.36CS..EExtended strand (participates in β ladder)trans-82.9140170.5-66.8-175.9000110.5F237 F256 L274 L308 T309 V310 Q311F237-L259 HydrophobicContact CE1-CD2 4.2Å; F237-L259 HydrophobicContact CE2-CD2 4.26Å; F237-L259 HydrophobicContact CZ-CD2 3.43Å; F237-L259 VanDerWaalsContact CZ-CD2 3.43Å; F256-L259 HydrophobicContact CD2-CD2 3.65Å; F256-L259 HydrophobicContact CD2-CG 4.15Å; F256-L259 HydrophobicContact CE1-CD2 4.41Å; F256-L259 HydrophobicContact CE2-CD2 3.42Å; F256-L259 VanDerWaalsContact CE2-CD2 3.42Å; F256-L259 HydrophobicContact CE2-CG 3.75Å; F256-L259 HydrophobicContact CG-CD2 4.27Å; F256-L259 HydrophobicContact CZ-CD2 3.82Å; F256-L259 HydrophobicContact CZ-CG 4.44Å; L259-L274 HydrophobicContact CB-CD2 3.8Å; L259-L274 HydrophobicContact CD1-CD1 4.3Å; L259-L274 HydrophobicContact CD1-CD2 4.12Å; L259-L308 HydrophobicContact CD1-CD1 3.71Å; L259-L308 HydrophobicContact CD1-CD2 4.03Å; L259-L308 HydrophobicContact CD1-CG 4.18Å; L259-L308 HydrophobicContact CG-CD1 3.93Å; L259-T309 PolarHBondContact N-O 2.76Å; L259-V310 HydrophobicContact CB-CG1 4.08Å; L259-V310 HydrophobicContact CB-CG2 4.36Å; L259-V310 CarbonylContact O-C 3.54Å; L259-V310 VanDerWaalsContact O-CA 3.3Å; L259-V310 WeakPolarHBondContact O-CA 3.22Å; L259-V310 WeakPolarHBondContact O-CG1 3.07Å; L259-Q311 PolarHBondContact O-N 3.11Å
260S94.1Very high92Very high19 Ų1962.8 Ų62.813%0.13334%0.336CS..EExtended strand (participates in β ladder)trans-99.9123176.3-41.40000109.6K277S260-K277 PolarHBondContact OG-NZ 3.26Å
261C94.2Very high92.1Very high0 Ų060.8 Ų60.80%033%0.327CS..EExtended strand (participates in β ladder)trans-97.6107.8171.8179.40000109.2L270 L274 V310 Q311 M312 V313C261-L270 HydrophobicContact CB-CD1 3.92Å; C261-L274 HydrophobicContact CB-CD2 4.26Å; C261-V310 HydrophobicContact CB-CG1 4.05Å; C261-Q311 PolarHBondContact N-O 2.77Å; C261-M312 HydrophobicContact CB-CE 3.51Å; C261-M312 HydrophobicContact CB-SD 3.95Å; C261-V313 PolarHBondContact O-N 2.81Å; C261-V313 VanDerWaalsContact O-N 3.11Å
262F90.6Very high92.1Very high82 Ų8259.5 Ų59.536%0.3632%0.317SS..EExtended strand (participates in β ladder)trans-82.7126.9178.3-67.3-79.9000110.8T264 G273 K277 V313F262-T264 PolarHBondContact O-N 3.28Å; F262-G273 PolarHBondContact N-O 2.86Å; F262-K277 HydrophobicContact CD2-CB 4.07Å; F262-K277 HydrophobicContact CD2-CG 4.45Å; F262-K277 HydrophobicContact CE2-CB 3.96Å; F262-K277 HydrophobicContact CE2-CD 3.82Å; F262-K277 HydrophobicContact CE2-CG 3.82Å; F262-V313 HydrophobicContact CD1-CB 4.36Å; F262-V313 HydrophobicContact CD1-CG1 4.4Å; F262-V313 HydrophobicContact CD1-CG2 4.35Å; F262-V313 HydrophobicContact CE1-CG1 4.41Å; F262-V313 HydrophobicContact CE1-CG2 4.37Å
263L88.6Confident92Very high15 Ų1554.9 Ų54.98%0.07929%0.292CS..  trans-95.162.9-172.9-52.7178.4000111.1R314 I327 V331L263-R314 HydrophobicContact CD1-CB 4.33Å; L263-R314 HydrophobicContact CD1-CG 3.35Å; L263-I327 HydrophobicContact CB-CD1 4.01Å; L263-I327 HydrophobicContact CB-CG2 3.96Å; L263-I327 HydrophobicContact CD1-CB 4.22Å; L263-I327 HydrophobicContact CD1-CG2 4.08Å; L263-V331 HydrophobicContact CD2-CB 4.13Å; L263-V331 HydrophobicContact CD2-CG1 4.24Å; L263-V331 HydrophobicContact CD2-CG2 3.73Å
264T83.7Confident91.8Very high67 Ų6751.2 Ų51.241%0.41127%0.269SS..  trans-70171177.369.90000111.9F262 E266 V267 K329F262-T264 PolarHBondContact O-N 3.28Å; T264-E266 PolarHBondContact O-N 2.79Å; T264-E266 VanDerWaalsContact O-N 3.12Å; T264-V267 PolarHBondContact O-N 3.4Å; T264-V267 WeakPolarHBondContact OG1-CG2 3.49Å; T264-K329 PolarHBondContact O-NZ 2.87Å
265G80Confident91.6Very high76 Ų7652.3 Ų52.378%0.78427%0.27SS*.THydrogen-bonded Turntrans-56.4-27.4-178.200000114.8K329G265-K329 PolarHBondContact O-NZ 3.03Å
266E82.8Confident91.2Very high175 Ų17548.9 Ų48.982%0.81826%0.262SS*.THydrogen-bonded Turntrans-95.3-20.1-173.2-62.2177179.400113.8T264 K268T264-E266 PolarHBondContact O-N 2.79Å; T264-E266 VanDerWaalsContact O-N 3.12Å; E266-K268 PolarHBondContact O-N 3.32Å
267V88.3Confident90.5Very high5 Ų550.8 Ų50.83%0.0327%0.271CS..  trans-73.4112-174.1173.30000111.5T264 H269 K329 V331T264-V267 PolarHBondContact O-N 3.4Å; T264-V267 WeakPolarHBondContact OG1-CG2 3.49Å; V267-H269 WeakPolarHBondContact CG1-O 3.38Å; V267-K329 WeakPolarHBondContact O-CE 3.37Å; V267-K329 PolarHBondContact O-NZ 3.17Å; V267-V331 HydrophobicContact CG1-CG1 4.07Å; V267-V331 HydrophobicContact CG1-CG2 4.41Å
268K91.4Very high90.1Very high144 Ų14449.4 Ų49.463%0.62626%0.261SS*.  trans-103.9-25.2173.4-65.3-178.5-178176.60113.5E266 K332E266-K268 PolarHBondContact O-N 3.32Å; K268-K332 PolarHBondContact O-N 3.25Å
269H93.5Very high89.8Confident99 Ų9951.9 Ų51.946%0.45828%0.278SS..BIsolated β-bridgetrans-123.8146.5-177.1-60.6-77.9000110.2V267 I271 N272 G273 K332V267-H269 WeakPolarHBondContact CG1-O 3.38Å; H269-I271 VanDerWaalsContact C-N 3.27Å; H269-I271 HydrophobicContact CB-CG2 4.35Å; H269-I271 PolarHBondContact O-N 3.41Å; H269-N272 PolarHBondContact O-N 3.16Å; H269-N272 VanDerWaalsContact O-N 3.11Å; H269-G273 PolarHBondContact O-N 3Å; H269-K332 CarbonylContact C-O 3.53Å; H269-K332 WeakPolarHBondContact CA-O 3.35Å
270L93.6Very high89.4Confident1 Ų154.8 Ų54.81%0.00529%0.291CS..Hα-helixtrans-49.1-46.6179.4176.362.7000112.6C261 N272 G273 L274 V310 M312 K332 F333 L337 L461 Y463C261-L270 HydrophobicContact CB-CD1 3.92Å; L270-N272 VanDerWaalsContact C-N 3.28Å; L270-N272 PolarHBondContact O-N 2.89Å; L270-G273 PolarHBondContact O-N 3.18Å; L270-L274 HydrophobicContact CD1-CG 4.37Å; L270-L274 HydrophobicContact CG-CD1 4.28Å; L270-L274 HydrophobicContact CG-CG 4.48Å; L270-L274 WeakPolarHBondContact O-CG 3.48Å; L270-L274 PolarHBondContact O-N 3.46Å; L270-V310 HydrophobicContact CD1-CG1 4.12Å; L270-M312 HydrophobicContact CD1-CE 3.65Å; L270-M312 HydrophobicContact CD1-SD 3.84Å; L270-K332 PolarHBondContact N-O 3.28Å; L270-F333 HydrophobicContact CB-CB 4.12Å; L270-F333 HydrophobicContact CD2-CB 3.92Å; L270-L337 HydrophobicContact CD2-CD1 4.2Å; L270-L337 HydrophobicContact CD2-CD2 4.11Å; L270-L461 HydrophobicContact CD1-CD1 4.15Å; L270-L461 HydrophobicContact CD2-CD1 3.77Å; L270-Y463 HydrophobicContact CD2-CE2 3.89Å
271I92.7Very high89.2Confident39 Ų3961.5 Ų61.520%0.232%0.321CS..Hα-helixtrans-60.2-36.5-176.9-165.965.8000112.7H269 L274 R275 L342H269-I271 VanDerWaalsContact C-N 3.27Å; H269-I271 HydrophobicContact CB-CG2 4.35Å; H269-I271 PolarHBondContact O-N 3.41Å; I271-L274 PolarHBondContact O-N 3.17Å; I271-R275 WeakPolarHBondContact O-CB 3.37Å; I271-R275 PolarHBondContact O-N 2.87Å; I271-L342 HydrophobicContact CD1-CD1 3.84Å; I271-L342 HydrophobicContact CD1-CD2 4.35Å; I271-L342 HydrophobicContact CD1-CG 4.04Å
272N92.3Very high89Confident64 Ų6464.1 Ų64.134%0.34234%0.337SS..Hα-helixtrans-70.3-36177.4-65-1.9000111H269 L270 L274 R275 A276H269-N272 PolarHBondContact O-N 3.16Å; H269-N272 VanDerWaalsContact O-N 3.11Å; L270-N272 VanDerWaalsContact C-N 3.28Å; L270-N272 PolarHBondContact O-N 2.89Å; N272-L274 VanDerWaalsContact C-N 3.33Å; N272-R275 PolarHBondContact O-N 3.36Å; N272-A276 PolarHBondContact O-N 3.03Å; N272-A276 VanDerWaalsContact O-N 3.1Å
273G92.1Very high88.8Confident0 Ų064.7 Ų64.70%035%0.347CS..Hα-helixtrans-70.5-29.917600000113.2F262 H269 L270F262-G273 PolarHBondContact N-O 2.86Å; H269-G273 PolarHBondContact O-N 3Å; L270-G273 PolarHBondContact O-N 3.18Å
274L93.2Very high88.8Confident3 Ų368 Ų682%0.01636%0.361CS..Hα-helixtrans-71-44169.9-68.2179.7000111.5L259 C261 L270 I271 N272 A276 K277 V310 L342L259-L274 HydrophobicContact CB-CD2 3.8Å; L259-L274 HydrophobicContact CD1-CD1 4.3Å; L259-L274 HydrophobicContact CD1-CD2 4.12Å; C261-L274 HydrophobicContact CB-CD2 4.26Å; L270-L274 HydrophobicContact CD1-CG 4.37Å; L270-L274 HydrophobicContact CG-CD1 4.28Å; L270-L274 HydrophobicContact CG-CG 4.48Å; L270-L274 WeakPolarHBondContact O-CG 3.48Å; L270-L274 PolarHBondContact O-N 3.46Å; I271-L274 PolarHBondContact O-N 3.17Å; N272-L274 VanDerWaalsContact C-N 3.33Å; L274-A276 PolarHBondContact O-N 3.05Å; L274-K277 PolarHBondContact O-N 3.26Å; L274-V310 HydrophobicContact CD2-CG1 3.62Å; L274-L342 HydrophobicContact CB-CD1 4.01Å; L274-L342 HydrophobicContact CD1-CD1 4.11Å
275R91.2Very high88.9Confident108 Ų10872.7 Ų72.741%0.40837%0.371SS..Hα-helixtrans-60.6-33.4178.6-172.1176.8-66.8155.10.7112.6I271 N272 K277 M278 E341 L342I271-R275 WeakPolarHBondContact O-CB 3.37Å; I271-R275 PolarHBondContact O-N 2.87Å; N272-R275 PolarHBondContact O-N 3.36Å; R275-K277 PolarHBondContact O-N 3.48Å; R275-M278 WeakPolarHBondContact O-CB 3.4Å; R275-M278 PolarHBondContact O-N 2.78Å; R275-E341 IonicContact CZ-OE2 3.55Å; R275-E341 IonicContact NH2-OE2 3.69Å; R275-E341 PolarHBondContact NH2-OE2 2.79Å; R275-L342 HydrophobicContact CB-CD2 4.43Å
276A87.2Confident89Confident49 Ų4969.2 Ų69.241%0.40534%0.335SS..G310 helixtrans-59.2-28.7178.200000113.7N272 L274N272-A276 PolarHBondContact O-N 3.03Å; N272-A276 VanDerWaalsContact O-N 3.1Å; L274-A276 PolarHBondContact O-N 3.05Å
277K82.2Confident89Confident55 Ų5565.1 Ų65.124%0.23933%0.33CS..G310 helixtrans-80.7-17.5174.6-167.7178.4-172.7-178.30112.8S260 F262 L274 R275 T279S260-K277 PolarHBondContact OG-NZ 3.26Å; F262-K277 HydrophobicContact CD2-CB 4.07Å; F262-K277 HydrophobicContact CD2-CG 4.45Å; F262-K277 HydrophobicContact CE2-CB 3.96Å; F262-K277 HydrophobicContact CE2-CD 3.82Å; F262-K277 HydrophobicContact CE2-CG 3.82Å; L274-K277 PolarHBondContact O-N 3.26Å; R275-K277 PolarHBondContact O-N 3.48Å; K277-T279 PolarHBondContact O-N 3.48Å
278M88.7Confident88.7Confident15 Ų1569.7 Ų69.77%0.07436%0.358CS..G310 helixtrans-74-10-174.5-59.2-55178.500113.1F237 R275 K298 H299 I301 L342F237-M278 HydrophobicContact CE1-CE 3.86Å; F237-M278 HydrophobicContact CE1-SD 3.92Å; F237-M278 HydrophobicContact CZ-CE 4.38Å; R275-M278 WeakPolarHBondContact O-CB 3.4Å; R275-M278 PolarHBondContact O-N 2.78Å; M278-K298 CarbonylContact O-C 3.6Å; M278-K298 VanDerWaalsContact O-CA 3.3Å; M278-K298 WeakPolarHBondContact O-CA 3.43Å; M278-H299 PolarHBondContact O-N 2.92Å; M278-H299 HydrophobicContact SD-CB 3.93Å; M278-I301 HydrophobicContact CE-CD1 4.36Å; M278-I301 HydrophobicContact CE-CG1 4.46Å; M278-L342 HydrophobicContact CE-CB 4.14Å; M278-L342 HydrophobicContact CE-CD1 3.95Å; M278-L342 HydrophobicContact CE-CD2 4.21Å; M278-L342 HydrophobicContact CE-CG 4.33Å; M278-L342 HydrophobicContact CG-CD2 4.23Å
279T89.3Confident88.3Confident70 Ų7066.2 Ų66.243%0.42935%0.346SS..EExtended strand (participates in β ladder)trans-134.8118177.4-49.60000109.1K277 E296 R297 K298K277-T279 PolarHBondContact O-N 3.48Å; T279-E296 HydrophobicContact CG2-CG 3.9Å; T279-E296 WeakPolarHBondContact CG2-OE1 3.5Å; T279-R297 WeakPolarHBondContact CA-O 3.43Å; T279-K298 HydrophobicContact CG2-CG 4.49Å
280E88.5Confident87.8Confident65 Ų6568.2 Ų68.230%0.30436%0.356SS..EExtended strand (participates in β ladder)trans-126.1146.7178.2-62.7178.5164.800108.9R297 H299E280-R297 HydrophobicContact CB-CB 4.35Å; E280-R297 PolarHBondContact N-O 3.4Å; E280-R297 PolarHBondContact O-N 2.72Å; E280-R297 IonicContact OE2-NH1 3.17Å; E280-H299 IonicContact OE2-CE1 3.73Å
281E89.5Confident87.6Confident160 Ų16074.2 Ų74.275%0.74838%0.378SS*.EExtended strand (participates in β ladder)trans-102.6126.1171.4-70.1-179.1178.300109V294 F295E281-V294 HydrophobicContact CB-CG1 4.11Å; E281-V294 HydrophobicContact CG-CG1 4.35Å; E281-F295 WeakPolarHBondContact CA-O 3.45Å
282V89.6Confident87.4Confident55 Ų5577.4 Ų77.433%0.33340%0.396SS..EExtended strand (participates in β ladder)trans-123.3129.1180-177.90000108.9F295 R297V282-F295 PolarHBondContact N-O 2.91Å; V282-F295 PolarHBondContact O-N 2.75Å; V282-R297 HydrophobicContact CG2-CB 4.36Å
283T86.8Confident87.3Confident94 Ų9474.4 Ų74.458%0.57738%0.38SS*.EExtended strand (participates in β ladder)trans-90120172.7-560000109.2D292 V293T283-D292 HydrophobicContact CG2-CB 3.82Å; T283-V293 WeakPolarHBondContact CA-O 3.49Å
284K87.3Confident87.2Confident85 Ų8577.2 Ų77.237%0.3740%0.397SS..EExtended strand (participates in β ladder)trans-137.3148.9180-177.6-172.2175.5-167.40109M241 E250 S286 V293 F295M241-K284 HydrophobicContact CE-CD 4.05Å; E250-K284 IonicContact OE1-NZ 3.2Å; E250-K284 PolarHBondContact OE1-NZ 3.05Å; E250-K284 IonicContact OE2-NZ 2.7Å; E250-K284 PolarHBondContact OE2-NZ 3.23Å; K284-S286 PolarHBondContact O-N 3.35Å; K284-V293 PolarHBondContact N-O 2.95Å; K284-V293 PolarHBondContact O-N 2.69Å; K284-V293 VanDerWaalsContact O-O 3.13Å; K284-F295 HydrophobicContact CB-CD2 3.9Å; K284-F295 HydrophobicContact CB-CE2 3.9Å; K284-F295 HydrophobicContact CD-CE2 4.5Å
285R87.2Confident87.1Confident165 Ų16577.1 Ų77.162%0.62340%0.396SS*.EExtended strand (participates in β ladder)trans-66.1117.6172.4-164.8169.9-174.5174.4-1.9110.4E290 D292R285-E290 VanDerWaalsContact CZ-O 3.29Å; R285-E290 PolarHBondContact NE-O 2.86Å; R285-E290 PolarHBondContact NH2-O 2.8Å; R285-D292 WeakPolarHBondContact CA-OD1 3.41Å; R285-D292 WeakPolarHBondContact CB-OD1 3.36Å; R285-D292 PolarHBondContact N-OD1 2.91Å
286S81.4Confident87.1Confident3 Ų375.1 Ų75.12%0.02139%0.392CS..  trans-67138.8174.4172.80000110.3S246 E248 K284 T288 L289 E290 R291S246-S286 VanDerWaalsContact CB-OG 3.3Å; S246-S286 WeakPolarHBondContact CB-OG 3.3Å; E248-S286 PolarHBondContact OE1-OG 2.8Å; E248-S286 VanDerWaalsContact OE1-OG 3.08Å; E248-S286 WeakPolarHBondContact OE2-CB 3.21Å; E248-S286 PolarHBondContact OE2-OG 2.99Å; K284-S286 PolarHBondContact O-N 3.35Å; S286-T288 VanDerWaalsContact C-N 3.34Å; S286-T288 PolarHBondContact OG-N 3.17Å; S286-L289 PolarHBondContact OG-N 2.97Å; S286-L289 VanDerWaalsContact OG-N 3.15Å; S286-E290 WeakPolarHBondContact O-CA 3.5Å; S286-E290 PolarHBondContact O-N 2.82Å; S286-E290 VanDerWaalsContact O-N 3.12Å; S286-R291 PolarHBondContact N-O 3.05Å
287A82.1Confident87.4Confident88 Ų8875.5 Ų75.573%0.72738%0.383SS*.THydrogen-bonded Turntrans-72.1-32.8174.100000111.3E248E248-A287 PolarHBondContact OE1-N 2.83Å
288T82.6Confident88Confident101 Ų10177.5 Ų77.562%0.6239%0.392SS*.THydrogen-bonded Turntrans-82.7-40-177.1-52.30000112.8E248 S286E248-T288 WeakPolarHBondContact OE1-CB 3.46Å; E248-T288 PolarHBondContact OE1-N 3.48Å; E248-T288 PolarHBondContact OE1-OG1 2.83Å; S286-T288 VanDerWaalsContact C-N 3.34Å; S286-T288 PolarHBondContact OG-N 3.17Å
289L82.4Confident88.3Confident71 Ų7177.6 Ų77.637%0.37239%0.392SS..THydrogen-bonded Turntrans-97-5.8-177.3-64.4176.2000113.9E245 S286 R291 V293E245-L289 HydrophobicContact CB-CD1 4.43Å; S286-L289 PolarHBondContact OG-N 2.97Å; S286-L289 VanDerWaalsContact OG-N 3.15Å; L289-R291 HydrophobicContact CB-CG 4.06Å; L289-R291 PolarHBondContact O-N 2.79Å; L289-V293 HydrophobicContact CD1-CG1 4.03Å
290E83.4Confident88.6Confident142 Ų14275.5 Ų75.566%0.66438%0.382SS*.SBendtrans50.917.8-177.6-62.5-169.2160.600115.6R285 S286R285-E290 VanDerWaalsContact CZ-O 3.29Å; R285-E290 PolarHBondContact NE-O 2.86Å; R285-E290 PolarHBondContact NH2-O 2.8Å; S286-E290 WeakPolarHBondContact O-CA 3.5Å; S286-E290 PolarHBondContact O-N 2.82Å; S286-E290 VanDerWaalsContact O-N 3.12Å
291R88.9Confident89.1Confident126 Ų12672.4 Ų72.448%0.47537%0.367SS..SBendtrans-127.6163.617668.3178.2177.191.4-0.8110.7E245 S286 L289 V293E245-R291 IonicContact OE2-CZ 3.6Å; E245-R291 IonicContact OE2-NH1 2.8Å; E245-R291 PolarHBondContact OE2-NH1 3.47Å; E245-R291 IonicContact OE2-NH2 2.79Å; E245-R291 PolarHBondContact OE2-NH2 3.08Å; S286-R291 PolarHBondContact N-O 3.05Å; L289-R291 HydrophobicContact CB-CG 4.06Å; L289-R291 PolarHBondContact O-N 2.79Å; R291-V293 HydrophobicContact CG-CG1 4.24Å; R291-V293 PolarHBondContact O-N 3.15Å
292D88.9Confident89.4Confident106 Ų10666.2 Ų66.257%0.56734%0.341SS*.EExtended strand (participates in β ladder)trans-67.1127.4173.5-68-22000110.2T283 R285T283-D292 HydrophobicContact CG2-CB 3.82Å; R285-D292 WeakPolarHBondContact CA-OD1 3.41Å; R285-D292 WeakPolarHBondContact CB-OD1 3.36Å; R285-D292 PolarHBondContact N-OD1 2.91Å
293V89.9Confident89.7Confident2 Ų265.2 Ų65.21%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-128.8155.4174.9-58.90000109.4E245 T283 K284 L289 R291 F295E245-V293 HydrophobicContact CB-CB 4.34Å; E245-V293 HydrophobicContact CB-CG1 4.17Å; T283-V293 WeakPolarHBondContact CA-O 3.49Å; K284-V293 PolarHBondContact N-O 2.95Å; K284-V293 PolarHBondContact O-N 2.69Å; K284-V293 VanDerWaalsContact O-O 3.13Å; L289-V293 HydrophobicContact CD1-CG1 4.03Å; R291-V293 HydrophobicContact CG-CG1 4.24Å; R291-V293 PolarHBondContact O-N 3.15Å; V293-F295 HydrophobicContact CG2-CD2 3.85Å; V293-F295 HydrophobicContact CG2-CE2 3.28Å; V293-F295 HydrophobicContact CG2-CZ 3.83Å
294V90.4Very high90.3Very high59 Ų5960.8 Ų60.836%0.35831%0.305SS..EExtended strand (participates in β ladder)trans-82.3130.9175-1760000108.9S243 E281S243-V294 PolarHBondContact OG-O 2.77Å; E281-V294 HydrophobicContact CB-CG1 4.11Å; E281-V294 HydrophobicContact CG-CG1 4.35Å
295F90.9Very high90.7Very high0 Ų056.8 Ų56.80%029%0.287CS..EExtended strand (participates in β ladder)trans-112135.8170.9-73-96.6000109.7M241 E248 E281 V282 K284 V293M241-F295 HydrophobicContact CE-CD1 3.86Å; M241-F295 HydrophobicContact CE-CE1 4.14Å; M241-F295 HydrophobicContact CE-CG 4.13Å; M241-F295 HydrophobicContact CG-CB 3.46Å; M241-F295 VanDerWaalsContact CG-CB 3.46Å; M241-F295 HydrophobicContact CG-CD1 3.68Å; M241-F295 HydrophobicContact CG-CG 3.85Å; M241-F295 HydrophobicContact SD-CB 3.75Å; M241-F295 HydrophobicContact SD-CD1 4.11Å; M241-F295 HydrophobicContact SD-CG 3.94Å; E248-F295 HydrophobicContact CB-CE1 4.01Å; E248-F295 HydrophobicContact CB-CZ 4.41Å; E248-F295 WeakPolarHBondContact OE2-CZ 3.31Å; E281-F295 WeakPolarHBondContact CA-O 3.45Å; V282-F295 PolarHBondContact N-O 2.91Å; V282-F295 PolarHBondContact O-N 2.75Å; K284-F295 HydrophobicContact CB-CD2 3.9Å; K284-F295 HydrophobicContact CB-CE2 3.9Å; K284-F295 HydrophobicContact CD-CE2 4.5Å; V293-F295 HydrophobicContact CG2-CD2 3.85Å; V293-F295 HydrophobicContact CG2-CE2 3.28Å; V293-F295 HydrophobicContact CG2-CZ 3.83Å
296E92.8Very high91.2Very high67 Ų6750.3 Ų50.331%0.31326%0.264SS..EExtended strand (participates in β ladder)trans-87.1110.9169.3-168.1-173.9-170.800108.6M241 H242 T279 K298M241-E296 WeakPolarHBondContact CA-O 3.47Å; H242-E296 PolarHBondContact N-O 2.89Å; H242-E296 PolarHBondContact O-N 2.79Å; T279-E296 HydrophobicContact CG2-CG 3.9Å; T279-E296 WeakPolarHBondContact CG2-OE1 3.5Å; E296-K298 HydrophobicContact CG-CG 4.41Å; E296-K298 WeakPolarHBondContact OE1-CE 3.48Å; E296-K298 IonicContact OE1-NZ 3.26Å; E296-K298 PolarHBondContact OE1-NZ 2.85Å; E296-K298 VanDerWaalsContact OE1-NZ 3.1Å; E296-K298 VanDerWaalsContact OE2-CE 3.28Å; E296-K298 WeakPolarHBondContact OE2-CE 3.37Å; E296-K298 IonicContact OE2-NZ 3.34Å; E296-K298 PolarHBondContact OE2-NZ 3.39Å
297R93Very high92Very high56 Ų5650.5 Ų50.521%0.21126%0.264CS..EExtended strand (participates in β ladder)trans-94.1107.6177.6-170.7-177.7-171.1-146.1-0.5109.3I239 E254 T279 E280 V282I239-R297 HydrophobicContact CG2-CG 3.5Å; I239-R297 VanDerWaalsContact CG2-CG 3.5Å; E254-R297 IonicContact OE2-CZ 3.89Å; E254-R297 IonicContact OE2-NH2 2.71Å; E254-R297 PolarHBondContact OE2-NH2 3.04Å; T279-R297 WeakPolarHBondContact CA-O 3.43Å; E280-R297 HydrophobicContact CB-CB 4.35Å; E280-R297 PolarHBondContact N-O 3.4Å; E280-R297 PolarHBondContact O-N 2.72Å; E280-R297 IonicContact OE2-NH1 3.17Å; V282-R297 HydrophobicContact CG2-CB 4.36Å
298K94.2Very high92.8Very high98 Ų9846.3 Ų46.343%0.42623%0.229SC..EExtended strand (participates in β ladder)trans-100.5127.8176.9-71.5179.2177.7146.50110.8I239 T240 M278 T279 E296I239-K298 CarbonylContact C-O 3.5Å; I239-K298 VanDerWaalsContact CA-O 3.31Å; I239-K298 WeakPolarHBondContact CA-O 3.24Å; T240-K298 PolarHBondContact N-O 3.33Å; T240-K298 PolarHBondContact O-N 3.1Å; M278-K298 CarbonylContact O-C 3.6Å; M278-K298 VanDerWaalsContact O-CA 3.3Å; M278-K298 WeakPolarHBondContact O-CA 3.43Å; T279-K298 HydrophobicContact CG2-CG 4.49Å; E296-K298 HydrophobicContact CG-CG 4.41Å; E296-K298 WeakPolarHBondContact OE1-CE 3.48Å; E296-K298 IonicContact OE1-NZ 3.26Å; E296-K298 PolarHBondContact OE1-NZ 2.85Å; E296-K298 VanDerWaalsContact OE1-NZ 3.1Å; E296-K298 VanDerWaalsContact OE2-CE 3.28Å; E296-K298 WeakPolarHBondContact OE2-CE 3.37Å; E296-K298 IonicContact OE2-NZ 3.34Å; E296-K298 PolarHBondContact OE2-NZ 3.39Å
299H95.4Very high93.5Very high16 Ų1641.6 Ų41.67%0.07420%0.2CC..EExtended strand (participates in β ladder)trans-103.2133.2173.7-55.578.4000109.3F237 I239 M278 E280F237-H299 HydrophobicContact CD1-CB 4.1Å; F237-H299 HydrophobicContact CE1-CB 4.48Å; F237-H299 HydrophobicContact CG-CB 4.42Å; I239-H299 VanDerWaalsContact CD1-CD2 3.48Å; I239-H299 WeakPolarHBondContact CD1-CD2 3.39Å; M278-H299 PolarHBondContact O-N 2.92Å; M278-H299 HydrophobicContact SD-CB 3.93Å; E280-H299 IonicContact OE2-CE1 3.73Å
300A96.3Very high94.2Very high27 Ų2738.2 Ų38.222%0.22318%0.182CC..EExtended strand (participates in β ladder)trans-134.2139.3170.200000108.6F237 F238 S302 T344F237-A300 CarbonylContact C-O 3.58Å; F237-A300 WeakPolarHBondContact CA-O 3.36Å; F238-A300 PolarHBondContact N-O 3.33Å; F238-A300 PolarHBondContact O-N 2.83Å; A300-S302 PolarHBondContact O-N 3.15Å; A300-T344 HydrophobicContact CB-CG2 3.66Å
301I97.1Very high94.9Very high0 Ų033.3 Ų33.30%016%0.16CC..EExtended strand (participates in β ladder)trans-73.9118.2-177-59.9171.6000109.1E236 F237 F256 M278 R303 L304 L342 C343 T344 L347E236-I301 CarbonylContact O-C 3.51Å; E236-I301 WeakPolarHBondContact O-CA 3.34Å; F237-I301 HydrophobicContact CD1-CG1 3.82Å; F237-I301 HydrophobicContact CE1-CD1 4.36Å; F237-I301 HydrophobicContact CE1-CG1 3.55Å; F256-I301 HydrophobicContact CE1-CG1 4.44Å; F256-I301 HydrophobicContact CE1-CG2 4.43Å; F256-I301 HydrophobicContact CZ-CD1 4.4Å; F256-I301 HydrophobicContact CZ-CG1 4.4Å; F256-I301 HydrophobicContact CZ-CG2 4.37Å; M278-I301 HydrophobicContact CE-CD1 4.36Å; M278-I301 HydrophobicContact CE-CG1 4.46Å; I301-R303 VanDerWaalsContact CG2-O 3.25Å; I301-R303 WeakPolarHBondContact CG2-O 3.36Å; I301-L304 HydrophobicContact CD1-CD2 4.08Å; I301-L304 HydrophobicContact CG2-CD2 3.72Å; I301-L304 HydrophobicContact CG2-CG 3.88Å; I301-L342 HydrophobicContact CD1-CB 3.98Å; I301-L342 PolarHBondContact N-O 3.4Å; I301-C343 WeakPolarHBondContact O-CA 3.43Å; I301-T344 PolarHBondContact O-N 2.87Å; I301-L347 HydrophobicContact CG2-CD2 4.36Å; I301-L347 WeakPolarHBondContact O-CD2 3.21Å
302S96.6Very high95.2Very high29 Ų2927.5 Ų27.520%0.20314%0.138CC..EExtended strand (participates in β ladder)trans-89.1-31.1174.150.70000112.2E236 A300E236-S302 WeakPolarHBondContact CB-OG 3.31Å; E236-S302 WeakPolarHBondContact CG-OG 3.39Å; E236-S302 PolarHBondContact O-N 2.95Å; E236-S302 PolarHBondContact O-OG 3.12Å; E236-S302 PolarHBondContact OE1-OG 3.23Å; A300-S302 PolarHBondContact O-N 3.15Å
303R96.9Very high95.3Very high34 Ų3424.1 Ų24.113%0.12812%0.121CC..EExtended strand (participates in β ladder)trans-134.4127.2176.1-172.2-173.2-176.4-99.3-1.6111.5S230 A231 T234 G235 E236 I301 D391S230-R303 PolarHBondContact O-NH1 3.32Å; A231-R303 PolarHBondContact O-NH2 3.04Å; A231-R303 VanDerWaalsContact O-NH2 3.07Å; T234-R303 PolarHBondContact O-NH1 3.42Å; G235-R303 CarbonylContact C-O 3.5Å; G235-R303 VanDerWaalsContact CA-O 3.24Å; G235-R303 WeakPolarHBondContact CA-O 3.41Å; E236-R303 HydrophobicContact CB-CB 3.71Å; E236-R303 PolarHBondContact N-O 2.96Å; E236-R303 PolarHBondContact O-N 3.14Å; I301-R303 VanDerWaalsContact CG2-O 3.25Å; I301-R303 WeakPolarHBondContact CG2-O 3.36Å; R303-D391 IonicContact CZ-OD1 3.38Å; R303-D391 IonicContact CZ-OD2 3.72Å; R303-D391 IonicContact NE-OD1 3.21Å; R303-D391 PolarHBondContact NE-OD1 2.79Å; R303-D391 IonicContact NE-OD2 2.81Å; R303-D391 PolarHBondContact NE-OD2 3.37Å; R303-D391 IonicContact NH2-OD1 2.7Å; R303-D391 PolarHBondContact NH2-OD1 3.35Å; R303-D391 IonicContact NH2-OD2 3.49Å; R303-D391 PolarHBondContact NH2-OD2 2.66Å
304L97.6Very high95.3Very high2 Ų224 Ų241%0.0112%0.121CC..  trans-96.8128.1175.5-79.8172.4000111.6I301 V339 L347 L351 S394 N395 Y400I301-L304 HydrophobicContact CD1-CD2 4.08Å; I301-L304 HydrophobicContact CG2-CD2 3.72Å; I301-L304 HydrophobicContact CG2-CG 3.88Å; L304-V339 HydrophobicContact CD1-CG2 3.99Å; L304-V339 HydrophobicContact CD2-CG2 3.58Å; L304-V339 HydrophobicContact CG-CG2 4.47Å; L304-L347 HydrophobicContact CD1-CD2 4.12Å; L304-L347 HydrophobicContact CG-CD2 3.96Å; L304-L351 HydrophobicContact CD1-CD1 4.04Å; L304-L351 HydrophobicContact CD1-CD2 4.44Å; L304-S394 CarbonylContact O-C 3.56Å; L304-S394 WeakPolarHBondContact O-CA 3.27Å; L304-N395 HydrophobicContact CB-CB 4.07Å; L304-N395 PolarHBondContact O-N 2.96Å; L304-Y400 WeakPolarHBondContact CB-OH 3.25Å; L304-Y400 HydrophobicContact CD2-CE2 4.29Å
305P97.5Very high95.3Very high1 Ų123 Ų231%0.00611%0.111CC..BIsolated β-bridgetrans-73.6153.1173.829.5-31.4000111.1Y307 L308 Y400P305-Y307 VanDerWaalsContact C-N 3.27Å; P305-Y307 PolarHBondContact O-N 3.37Å; P305-L308 HydrophobicContact CG-CD1 3.95Å; P305-Y400 VanDerWaalsContact O-CE1 3.29Å; P305-Y400 WeakPolarHBondContact O-CE1 3.46Å; P305-Y400 PolarHBondContact O-OH 2.97Å
306K97.3Very high95.1Very high29 Ų2927 Ų2713%0.12613%0.129CC..SBendtrans-58.8-40.3172.4-176.2172.1-171.1179.60111.9E128 Y232 G393 Y400 P465E128-K306 IonicContact OE1-NZ 2.7Å; E128-K306 PolarHBondContact OE1-NZ 2.85Å; Y232-K306 HydrophobicContact CD1-CB 4.32Å; Y232-K306 HydrophobicContact CD1-CD 3.92Å; Y232-K306 HydrophobicContact CE1-CD 4.38Å; Y232-K306 PolarHBondContact O-N 3.41Å; K306-G393 WeakPolarHBondContact CB-O 3.5Å; K306-G393 PolarHBondContact N-O 3.39Å; K306-Y400 WeakPolarHBondContact O-CE1 3.21Å; K306-P465 HydrophobicContact CD-CG 4.4Å; K306-P465 HydrophobicContact CG-CB 4.33Å; K306-P465 HydrophobicContact CG-CG 3.74Å; K306-P465 VanDerWaalsContact O-CD 3.27Å; K306-P465 WeakPolarHBondContact O-CD 3.47Å
307Y98.1Very high94.9Very high6 Ų629.8 Ų29.82%0.02414%0.137CC..SBendtrans-111.9116.9174.9-58.1-85.1000110.5V126 P127 E128 Y232 P305 Y463V126-Y307 HydrophobicContact CG1-CD1 4.34Å; V126-Y307 HydrophobicContact CG1-CD2 3.73Å; V126-Y307 HydrophobicContact CG1-CE1 4.27Å; V126-Y307 HydrophobicContact CG1-CE2 3.66Å; V126-Y307 HydrophobicContact CG1-CG 4.08Å; V126-Y307 HydrophobicContact CG2-CD1 4.26Å; V126-Y307 HydrophobicContact CG2-CG 4.42Å; P127-Y307 WeakPolarHBondContact CD-OH 3.38Å; E128-Y307 WeakPolarHBondContact OE2-CE2 3.32Å; E128-Y307 PolarHBondContact OE2-OH 2.86Å; Y232-Y307 PolarHBondContact O-N 2.78Å; P305-Y307 VanDerWaalsContact C-N 3.27Å; P305-Y307 PolarHBondContact O-N 3.37Å; Y307-Y463 CarbonylContact C-O 3.49Å; Y307-Y463 VanDerWaalsContact CA-O 3.24Å; Y307-Y463 WeakPolarHBondContact CA-O 3.45Å
308L97.9Very high94.5Very high1 Ų131.3 Ų31.31%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-100.2113.4-178.8-174.466.4000110F256 L259 P305 V310 L337 V339 Y400 Y463F256-L308 HydrophobicContact CE2-CD1 4.05Å; L259-L308 HydrophobicContact CD1-CD1 3.71Å; L259-L308 HydrophobicContact CD1-CD2 4.03Å; L259-L308 HydrophobicContact CD1-CG 4.18Å; L259-L308 HydrophobicContact CG-CD1 3.93Å; P305-L308 HydrophobicContact CG-CD1 3.95Å; L308-V310 HydrophobicContact CG-CG2 4.38Å; L308-L337 HydrophobicContact CD2-CD2 4.29Å; L308-V339 HydrophobicContact CD2-CG1 4Å; L308-Y400 HydrophobicContact CB-CD1 3.99Å; L308-Y400 HydrophobicContact CB-CE1 3.65Å; L308-Y400 HydrophobicContact CD2-CD2 4.39Å; L308-Y400 HydrophobicContact CD2-CE2 4.17Å; L308-Y463 PolarHBondContact N-O 2.8Å; L308-Y463 WeakPolarHBondContact O-CB 3.44Å; L308-Y463 PolarHBondContact O-N 3.14Å
309T98.1Very high94.1Very high1 Ų134.2 Ų34.21%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-93.3132.5174.5-50.90000109.5W203 Q258 L259 V460 L461W203-T309 HydrophobicContact CZ2-CG2 3.84Å; Q258-T309 WeakPolarHBondContact CA-O 3.33Å; Q258-T309 HydrophobicContact CG-CG2 3.83Å; L259-T309 PolarHBondContact N-O 2.76Å; T309-V460 HydrophobicContact CG2-CG1 3.53Å; T309-L461 CarbonylContact C-O 3.6Å; T309-L461 WeakPolarHBondContact CA-O 3.44Å
310V97.7Very high93.7Very high0 Ų043.4 Ų43.40%020%0.2CC..EExtended strand (participates in β ladder)trans-123.7123.1174.9-161.10000111L259 C261 L270 L274 L308 M312 V460 L461 Y463L259-V310 HydrophobicContact CB-CG1 4.08Å; L259-V310 HydrophobicContact CB-CG2 4.36Å; L259-V310 CarbonylContact O-C 3.54Å; L259-V310 VanDerWaalsContact O-CA 3.3Å; L259-V310 WeakPolarHBondContact O-CA 3.22Å; L259-V310 WeakPolarHBondContact O-CG1 3.07Å; C261-V310 HydrophobicContact CB-CG1 4.05Å; L270-V310 HydrophobicContact CD1-CG1 4.12Å; L274-V310 HydrophobicContact CD2-CG1 3.62Å; L308-V310 HydrophobicContact CG-CG2 4.38Å; V310-M312 HydrophobicContact CB-CE 3.68Å; V310-M312 HydrophobicContact CG1-CE 3.26Å; V310-V460 CarbonylContact O-C 2.9Å; V310-V460 WeakPolarHBondContact O-CA 3.26Å; V310-L461 HydrophobicContact CB-CB 4.31Å; V310-L461 PolarHBondContact N-O 2.93Å; V310-L461 PolarHBondContact O-N 3.27Å; V310-Y463 HydrophobicContact CG2-CD2 4.26Å; V310-Y463 HydrophobicContact CG2-CE2 4.45Å
311Q96.6Very high93.2Very high40 Ų4047 Ų4719%0.18722%0.216CC..EExtended strand (participates in β ladder)trans-86.2123.7172.5-166.3-174.55.400110.4N200 Q258 L259 C261 V313N200-Q311 VanDerWaalsContact ND2-CD 3.33Å; N200-Q311 PolarHBondContact ND2-NE2 3.34Å; N200-Q311 VanDerWaalsContact ND2-NE2 3.2Å; Q258-Q311 HydrophobicContact CG-CB 4.03Å; L259-Q311 PolarHBondContact O-N 3.11Å; C261-Q311 PolarHBondContact N-O 2.77Å; Q311-V313 PolarHBondContact O-N 2.93Å
312M95Very high92.6Very high3 Ų354.8 Ų54.82%0.01525%0.25CC..EExtended strand (participates in β ladder)trans-83.5103.5169-54.2-57.192.600107.4C261 L270 V310 R314 A458 Y459 L461C261-M312 HydrophobicContact CB-CE 3.51Å; C261-M312 HydrophobicContact CB-SD 3.95Å; L270-M312 HydrophobicContact CD1-CE 3.65Å; L270-M312 HydrophobicContact CD1-SD 3.84Å; V310-M312 HydrophobicContact CB-CE 3.68Å; V310-M312 HydrophobicContact CG1-CE 3.26Å; M312-R314 HydrophobicContact CB-CG 4.21Å; M312-R314 PolarHBondContact O-N 3.34Å; M312-A458 WeakPolarHBondContact CB-O 3.27Å; M312-A458 HydrophobicContact CG-CB 4.41Å; M312-A458 VanDerWaalsContact CG-O 3.31Å; M312-A458 WeakPolarHBondContact CG-O 3.41Å; M312-Y459 WeakPolarHBondContact CB-O 3.28Å; M312-Y459 PolarHBondContact N-O 3.45Å; M312-L461 HydrophobicContact CE-CD1 3.79Å; M312-L461 HydrophobicContact CE-CG 4.14Å; M312-L461 HydrophobicContact SD-CD1 3.89Å; M312-L461 HydrophobicContact SD-CG 4.39Å
313V92.5Very high92.2Very high35 Ų3557.3 Ų57.321%0.21226%0.264CS..EExtended strand (participates in β ladder)trans-73.474.7-174.1-170.60000109.9C261 F262 Q311C261-V313 PolarHBondContact O-N 2.81Å; C261-V313 VanDerWaalsContact O-N 3.11Å; F262-V313 HydrophobicContact CD1-CB 4.36Å; F262-V313 HydrophobicContact CD1-CG1 4.4Å; F262-V313 HydrophobicContact CD1-CG2 4.35Å; F262-V313 HydrophobicContact CE1-CG1 4.41Å; F262-V313 HydrophobicContact CE1-CG2 4.37Å; Q311-V313 PolarHBondContact O-N 2.93Å
314R90.3Very high91.6Very high1 Ų159.4 Ų59.40%0.00428%0.278CS..  trans-88.2-28.8-174-74.9-173.9-174.2-83.52.8113.3L263 M312 K326 I327 K329 S450 A458L263-R314 HydrophobicContact CD1-CB 4.33Å; L263-R314 HydrophobicContact CD1-CG 3.35Å; M312-R314 HydrophobicContact CB-CG 4.21Å; M312-R314 PolarHBondContact O-N 3.34Å; R314-K326 HydrophobicContact CB-CG 4.21Å; R314-K326 CarbonylContact O-C 3.54Å; R314-K326 WeakPolarHBondContact O-CA 3.41Å; R314-I327 PolarHBondContact NH1-O 2.86Å; R314-I327 PolarHBondContact O-N 3.43Å; R314-K329 PolarHBondContact NH1-O 3.43Å; R314-S450 PolarHBondContact NH2-O 3.08Å; R314-A458 PolarHBondContact NE-O 3.36Å; R314-A458 PolarHBondContact NH2-O 2.87Å
315F89.6Confident91.2Very high36 Ų3660.2 Ų60.216%0.15828%0.284CS..EExtended strand (participates in β ladder)trans-93132.8-179.6-65.7-72.4000110.1A325 K326 H408 Y459F315-A325 WeakPolarHBondContact CA-O 3.47Å; F315-K326 HydrophobicContact CD1-CB 3.93Å; F315-K326 HydrophobicContact CD1-CG 4.14Å; F315-K326 HydrophobicContact CE1-CB 3.73Å; F315-K326 HydrophobicContact CE1-CD 3.94Å; F315-K326 HydrophobicContact CE1-CG 3.78Å; F315-K326 HydrophobicContact CZ-CD 4.06Å; F315-K326 HydrophobicContact CZ-CG 4.21Å; F315-H408 AromaticContact CZ-CE1 3.82Å; F315-H408 AromaticContact CZ-ND1 3.64Å; F315-Y459 HydrophobicContact CD2-CD2 4.49Å; F315-Y459 AromaticContact CD2-CE2 3.64Å; F315-Y459 HydrophobicContact CD2-CE2 3.64Å; F315-Y459 HydrophobicContact CE2-CD2 4.27Å; F315-Y459 AromaticContact CE2-CE2 3.74Å; F315-Y459 HydrophobicContact CE2-CE2 3.74Å
316F87.6Confident90.8Very high86 Ų8661.1 Ų61.138%0.37729%0.288SS..EExtended strand (participates in β ladder)trans-144.5150.6174.969-77.2000109.8K318 A325 I327F316-K318 HydrophobicContact CD2-CG 4.07Å; F316-K318 HydrophobicContact CE2-CD 4.19Å; F316-K318 HydrophobicContact CE2-CG 3.45Å; F316-K318 VanDerWaalsContact CE2-CG 3.45Å; F316-K318 HydrophobicContact CZ-CD 4.44Å; F316-K318 HydrophobicContact CZ-CG 4.13Å; F316-A325 HydrophobicContact CD1-CB 4.35Å; F316-A325 WeakPolarHBondContact CD1-O 3.41Å; F316-A325 HydrophobicContact CE1-CB 3.78Å; F316-A325 HydrophobicContact CE2-CB 4.32Å; F316-A325 HydrophobicContact CZ-CB 3.79Å; F316-A325 PolarHBondContact N-O 2.94Å; F316-A325 PolarHBondContact O-N 3.37Å; F316-I327 HydrophobicContact CD1-CD1 3.92Å; F316-I327 HydrophobicContact CD1-CG1 3.59Å; F316-I327 HydrophobicContact CE1-CD1 4.1Å; F316-I327 HydrophobicContact CE1-CG1 3.42Å; F316-I327 VanDerWaalsContact CE1-CG1 3.42Å
317Y86.7Confident90.4Very high125 Ų12561.7 Ų61.749%0.4929%0.292SS..EExtended strand (participates in β ladder)trans-87124.9177.5-172.4-111.9000110.1E319 K322 N324Y317-E319 HydrophobicContact CD1-CG 3.91Å; Y317-E319 HydrophobicContact CE1-CB 4.49Å; Y317-E319 HydrophobicContact CE1-CG 4.08Å; Y317-K322 VanDerWaalsContact OH-CA 3.27Å; Y317-K322 WeakPolarHBondContact OH-CA 3.36Å; Y317-K322 WeakPolarHBondContact OH-CB 3.46Å; Y317-N324 WeakPolarHBondContact CD2-OD1 3.28Å
318K85.4Confident89.9Confident88 Ų8863.4 Ų63.438%0.38330%0.302SS..EExtended strand (participates in β ladder)trans-91.9102.5169.8-71.7-176176.5-175.40109.1F316 K320 D321 K322 V323 A325F316-K318 HydrophobicContact CD2-CG 4.07Å; F316-K318 HydrophobicContact CE2-CD 4.19Å; F316-K318 HydrophobicContact CE2-CG 3.45Å; F316-K318 VanDerWaalsContact CE2-CG 3.45Å; F316-K318 HydrophobicContact CZ-CD 4.44Å; F316-K318 HydrophobicContact CZ-CG 4.13Å; K318-K320 VanDerWaalsContact C-N 3.28Å; K318-K320 PolarHBondContact O-N 3.37Å; K318-D321 HydrophobicContact CB-CB 4.34Å; K318-D321 WeakPolarHBondContact CD-OD2 3.34Å; K318-D321 PolarHBondContact O-N 3.39Å; K318-K322 WeakPolarHBondContact O-CA 3.42Å; K318-K322 PolarHBondContact O-N 3.16Å; K318-V323 PolarHBondContact N-O 2.72Å; K318-V323 PolarHBondContact O-N 3.24Å; K318-A325 HydrophobicContact CD-CB 3.93Å; K318-A325 HydrophobicContact CG-CB 4.09Å
319E85.5Confident89.5Confident159 Ų15966.2 Ų66.274%0.74331%0.314SS*.THydrogen-bonded Turntrans-57.9-39.6-179.6-66.3-177.7169.400113.1Y317 D321 K322Y317-E319 HydrophobicContact CD1-CG 3.91Å; Y317-E319 HydrophobicContact CE1-CB 4.49Å; Y317-E319 HydrophobicContact CE1-CG 4.08Å; E319-D321 VanDerWaalsContact C-N 3.3Å; E319-D321 PolarHBondContact O-N 3.34Å; E319-K322 PolarHBondContact O-N 3.02Å
320K87Confident89.2Confident208 Ų20869.1 Ų69.190%0.90433%0.329SS*.THydrogen-bonded Turntrans-57.8-43179.5-67.8-174.8178.2-178.80112.6K318K318-K320 VanDerWaalsContact C-N 3.28Å; K318-K320 PolarHBondContact O-N 3.37Å
321D86.3Confident89Confident103 Ų10369.2 Ų69.255%0.55133%0.33SS*.THydrogen-bonded Turntrans-95.9-8.9-176.6-57-41.8000112.1K318 E319 V323K318-D321 HydrophobicContact CB-CB 4.34Å; K318-D321 WeakPolarHBondContact CD-OD2 3.34Å; K318-D321 PolarHBondContact O-N 3.39Å; E319-D321 VanDerWaalsContact C-N 3.3Å; E319-D321 PolarHBondContact O-N 3.34Å; D321-V323 HydrophobicContact CB-CB 4.3Å; D321-V323 WeakPolarHBondContact O-CG2 3.42Å; D321-V323 PolarHBondContact O-N 3.04Å
322K85.4Confident88.9Confident163 Ų16371.6 Ų71.671%0.70934%0.339SS*.THydrogen-bonded Turntrans51.833.4-169.7-60.9-175.7179.2-178.20113.9Y317 K318 E319Y317-K322 VanDerWaalsContact OH-CA 3.27Å; Y317-K322 WeakPolarHBondContact OH-CA 3.36Å; Y317-K322 WeakPolarHBondContact OH-CB 3.46Å; K318-K322 WeakPolarHBondContact O-CA 3.42Å; K318-K322 PolarHBondContact O-N 3.16Å; E319-K322 PolarHBondContact O-N 3.02Å
323V86.4Confident89Confident83 Ų8371.8 Ų71.850%0.50334%0.34SS..EExtended strand (participates in β ladder)trans-125.7140.7-173.4169.60000111.1K318 D321 A325K318-V323 PolarHBondContact N-O 2.72Å; K318-V323 PolarHBondContact O-N 3.24Å; D321-V323 HydrophobicContact CB-CB 4.3Å; D321-V323 WeakPolarHBondContact O-CG2 3.42Å; D321-V323 PolarHBondContact O-N 3.04Å; V323-A325 PolarHBondContact O-N 3.06Å
324N86Confident89.1Confident78 Ų7872.5 Ų72.542%0.41735%0.346SS..EExtended strand (participates in β ladder)trans-72.6119.5167.6-74-28.2000110Y317 S413Y317-N324 WeakPolarHBondContact CD2-OD1 3.28Å; N324-S413 PolarHBondContact ND2-OG 2.94Å
325A87.6Confident89.3Confident18 Ų1873.2 Ų73.215%0.14935%0.349CS..EExtended strand (participates in β ladder)trans-109.9149.9177.400000111F315 F316 K318 V323F315-A325 WeakPolarHBondContact CA-O 3.47Å; F316-A325 HydrophobicContact CD1-CB 4.35Å; F316-A325 WeakPolarHBondContact CD1-O 3.41Å; F316-A325 HydrophobicContact CE1-CB 3.78Å; F316-A325 HydrophobicContact CE2-CB 4.32Å; F316-A325 HydrophobicContact CZ-CB 3.79Å; F316-A325 PolarHBondContact N-O 2.94Å; F316-A325 PolarHBondContact O-N 3.37Å; K318-A325 HydrophobicContact CD-CB 3.93Å; K318-A325 HydrophobicContact CG-CB 4.09Å; V323-A325 PolarHBondContact O-N 3.06Å
326K89.9Confident89.6Confident21 Ų2176.6 Ų76.69%0.09137%0.366CS..EExtended strand (participates in β ladder)trans-107.2130.7174.9-171-174.7178.4-162.30111.1R314 F315 L328 H408 G410 R411R314-K326 HydrophobicContact CB-CG 4.21Å; R314-K326 CarbonylContact O-C 3.54Å; R314-K326 WeakPolarHBondContact O-CA 3.41Å; F315-K326 HydrophobicContact CD1-CB 3.93Å; F315-K326 HydrophobicContact CD1-CG 4.14Å; F315-K326 HydrophobicContact CE1-CB 3.73Å; F315-K326 HydrophobicContact CE1-CD 3.94Å; F315-K326 HydrophobicContact CE1-CG 3.78Å; F315-K326 HydrophobicContact CZ-CD 4.06Å; F315-K326 HydrophobicContact CZ-CG 4.21Å; K326-L328 HydrophobicContact CB-CD2 4.47Å; K326-L328 HydrophobicContact CD-CD2 3.73Å; K326-L328 HydrophobicContact CG-CD2 4.05Å; K326-L328 PolarHBondContact O-N 2.98Å; K326-H408 PolarHBondContact NZ-ND1 3.42Å; K326-H408 PolarHBondContact NZ-O 2.94Å; K326-G410 WeakPolarHBondContact CD-O 3.27Å; K326-G410 PolarHBondContact NZ-O 3.38Å; K326-R411 VanDerWaalsContact CB-O 3.27Å; K326-R411 WeakPolarHBondContact CB-O 3.47Å
327I89.4Confident90Very high41 Ų4172.8 Ų72.821%0.2135%0.349CS..  trans-77.2105.5171.2-56.9173.1000108.6L263 R314 F316 K329L263-I327 HydrophobicContact CB-CD1 4.01Å; L263-I327 HydrophobicContact CB-CG2 3.96Å; L263-I327 HydrophobicContact CD1-CB 4.22Å; L263-I327 HydrophobicContact CD1-CG2 4.08Å; R314-I327 PolarHBondContact NH1-O 2.86Å; R314-I327 PolarHBondContact O-N 3.43Å; F316-I327 HydrophobicContact CD1-CD1 3.92Å; F316-I327 HydrophobicContact CD1-CG1 3.59Å; F316-I327 HydrophobicContact CE1-CD1 4.1Å; F316-I327 HydrophobicContact CE1-CG1 3.42Å; F316-I327 VanDerWaalsContact CE1-CG1 3.42Å; I327-K329 HydrophobicContact CG2-CB 3.64Å; I327-K329 PolarHBondContact O-N 3.48Å
328L87.8Confident90.5Very high42 Ų4269.7 Ų69.722%0.2234%0.341CS..  trans-86.49177.1-57.9-179.3000113.2K326 D330 R411 G452K326-L328 HydrophobicContact CB-CD2 4.47Å; K326-L328 HydrophobicContact CD-CD2 3.73Å; K326-L328 HydrophobicContact CG-CD2 4.05Å; K326-L328 PolarHBondContact O-N 2.98Å; L328-D330 PolarHBondContact O-N 3.24Å; L328-R411 HydrophobicContact CD1-CG 4.3Å; L328-G452 VanDerWaalsContact O-CA 3.25Å; L328-G452 WeakPolarHBondContact O-CA 3.21Å; L328-G452 PolarHBondContact O-N 3.31Å
329K88.6Confident91Very high59 Ų5965.5 Ų65.526%0.25732%0.323SS..  trans-57.1137.6179.9-170.7179.7-175.6-172.20111T264 G265 V267 R314 I327 V331T264-K329 PolarHBondContact O-NZ 2.87Å; G265-K329 PolarHBondContact O-NZ 3.03Å; V267-K329 WeakPolarHBondContact O-CE 3.37Å; V267-K329 PolarHBondContact O-NZ 3.17Å; R314-K329 PolarHBondContact NH1-O 3.43Å; I327-K329 HydrophobicContact CG2-CB 3.64Å; I327-K329 PolarHBondContact O-N 3.48Å; K329-V331 HydrophobicContact CD-CG2 4.25Å; K329-V331 HydrophobicContact CG-CG2 4.23Å; K329-V331 PolarHBondContact O-N 3.29Å
330D92.1Very high91.4Very high62 Ų6260.4 Ų60.433%0.33230%0.297SS..  trans-75.1112.6171.4-174.421000109.8L328 K332 S450L328-D330 PolarHBondContact O-N 3.24Å; D330-K332 VanDerWaalsContact CG-NZ 3.34Å; D330-K332 IonicContact OD1-NZ 3.63Å; D330-K332 PolarHBondContact OD1-NZ 3.36Å; D330-K332 VanDerWaalsContact OD1-NZ 3.17Å; D330-K332 VanDerWaalsContact OD2-CE 3.28Å; D330-K332 WeakPolarHBondContact OD2-CE 3.28Å; D330-K332 IonicContact OD2-NZ 3.36Å; D330-K332 PolarHBondContact OD2-NZ 2.85Å; D330-S450 WeakPolarHBondContact OD1-CB 3.38Å; D330-S450 PolarHBondContact OD1-OG 3.14Å
331V93.5Very high91.7Very high2 Ų256.8 Ų56.81%0.01228%0.284CS..  trans-124.9112.8175.8176.70000108.3L263 V267 K329 F333 S450L263-V331 HydrophobicContact CD2-CB 4.13Å; L263-V331 HydrophobicContact CD2-CG1 4.24Å; L263-V331 HydrophobicContact CD2-CG2 3.73Å; V267-V331 HydrophobicContact CG1-CG1 4.07Å; V267-V331 HydrophobicContact CG1-CG2 4.41Å; K329-V331 HydrophobicContact CD-CG2 4.25Å; K329-V331 HydrophobicContact CG-CG2 4.23Å; K329-V331 PolarHBondContact O-N 3.29Å; V331-F333 PolarHBondContact O-N 3.11Å; V331-S450 PolarHBondContact N-O 2.89Å; V331-S450 VanDerWaalsContact N-O 3.08Å; V331-S450 VanDerWaalsContact O-CB 3.27Å; V331-S450 WeakPolarHBondContact O-CB 3.42Å
332K94.9Very high92.1Very high90 Ų9052.3 Ų52.339%0.39126%0.26SS..BIsolated β-bridgetrans-71.7129.2-176.3-59.8-48.5-165.6-162.30110.3K268 H269 L270 D330 S450K268-K332 PolarHBondContact O-N 3.25Å; H269-K332 CarbonylContact C-O 3.53Å; H269-K332 WeakPolarHBondContact CA-O 3.35Å; L270-K332 PolarHBondContact N-O 3.28Å; D330-K332 VanDerWaalsContact CG-NZ 3.34Å; D330-K332 IonicContact OD1-NZ 3.63Å; D330-K332 PolarHBondContact OD1-NZ 3.36Å; D330-K332 VanDerWaalsContact OD1-NZ 3.17Å; D330-K332 VanDerWaalsContact OD2-CE 3.28Å; D330-K332 WeakPolarHBondContact OD2-CE 3.28Å; D330-K332 IonicContact OD2-NZ 3.36Å; D330-K332 PolarHBondContact OD2-NZ 2.85Å; K332-S450 WeakPolarHBondContact CD-OG 3.22Å; K332-S450 PolarHBondContact NZ-OG 2.78Å
333F95.9Very high92.6Very high7 Ų744.7 Ų44.73%0.03123%0.227CC..  trans-113.9135.6169.757.9-93.6000108.8L270 V331 L402 V405 I446 L449 A458 L461L270-F333 HydrophobicContact CB-CB 4.12Å; L270-F333 HydrophobicContact CD2-CB 3.92Å; V331-F333 PolarHBondContact O-N 3.11Å; F333-L402 HydrophobicContact CD2-CD2 3.91Å; F333-L402 HydrophobicContact CE2-CD2 3.65Å; F333-V405 HydrophobicContact CE2-CG2 4.1Å; F333-V405 HydrophobicContact CZ-CG1 4.42Å; F333-V405 HydrophobicContact CZ-CG2 4.32Å; F333-I446 HydrophobicContact CE2-CG2 4.19Å; F333-I446 WeakPolarHBondContact CZ-O 3.43Å; F333-L449 HydrophobicContact CE1-CB 4.42Å; F333-L449 HydrophobicContact CZ-CB 4.12Å; F333-A458 HydrophobicContact CD1-CB 4.02Å; F333-A458 HydrophobicContact CE1-CB 3.48Å; F333-A458 VanDerWaalsContact CE1-CB 3.48Å; F333-A458 HydrophobicContact CZ-CB 4.2Å; F333-L461 HydrophobicContact CB-CD1 3.66Å; F333-L461 HydrophobicContact CD1-CD1 4.31Å; F333-L461 HydrophobicContact CD1-CD2 4.25Å; F333-L461 HydrophobicContact CD2-CD1 4.38Å; F333-L461 HydrophobicContact CD2-CD2 4.05Å; F333-L461 HydrophobicContact CE1-CD2 4.36Å; F333-L461 HydrophobicContact CE2-CD2 4.2Å; F333-L461 HydrophobicContact CG-CD1 3.87Å; F333-L461 HydrophobicContact CG-CD2 4.09Å; F333-L461 HydrophobicContact CZ-CD2 4.34Å
334P95.5Very high93Very high50 Ų5041.6 Ų41.633%0.32521%0.208SC..  trans-82.9155.1-179.135.5-36.5000111.3E336 L337 Y463P334-E336 VanDerWaalsContact CB-O 3.23Å; P334-E336 WeakPolarHBondContact CB-O 3.12Å; P334-E336 WeakPolarHBondContact CG-O 3.13Å; P334-L337 HydrophobicContact CG-CB 4.17Å; P334-L337 HydrophobicContact CG-CD1 3.9Å; P334-Y463 WeakPolarHBondContact O-CE1 3.38Å; P334-Y463 PolarHBondContact O-OH 3.4Å
335I95Very high93.5Very high17 Ų1743.7 Ų43.79%0.08722%0.22CC..SBendtrans-67.8-40.7169.9-59.3-60.9000110T401 L402 W430 E443 I446 L447I335-T401 HydrophobicContact CG2-CG2 4.09Å; I335-T401 CarbonylContact O-C 3.33Å; I335-T401 WeakPolarHBondContact O-CA 3.24Å; I335-L402 HydrophobicContact CD1-CD2 3.89Å; I335-L402 WeakPolarHBondContact O-CB 3.33Å; I335-L402 PolarHBondContact O-N 2.94Å; I335-W430 HydrophobicContact CD1-CZ2 4.08Å; I335-E443 HydrophobicContact CD1-CG 3.88Å; I335-E443 HydrophobicContact CG1-CG 3.82Å; I335-I446 HydrophobicContact CD1-CG2 4.1Å; I335-L447 HydrophobicContact CD1-CD2 4.07Å; I335-L447 HydrophobicContact CD1-CG 4.41Å; I335-L447 HydrophobicContact CG1-CD2 3.97Å; I335-L447 HydrophobicContact CG1-CG 4.41Å
336E95.3Very high93.8Very high106 Ų10650.3 Ų50.350%0.49525%0.247SC..EExtended strand (participates in β ladder)trans-104.6115.6171.7-60.3-165.8161.700109.7P334 Y400 K466P334-E336 VanDerWaalsContact CB-O 3.23Å; P334-E336 WeakPolarHBondContact CB-O 3.12Å; P334-E336 WeakPolarHBondContact CG-O 3.13Å; E336-Y400 CarbonylContact C-O 3.39Å; E336-Y400 VanDerWaalsContact CA-O 3.29Å; E336-Y400 WeakPolarHBondContact CA-O 3.49Å; E336-K466 VanDerWaalsContact CD-NZ 3.34Å; E336-K466 VanDerWaalsContact OE1-CE 3.27Å; E336-K466 WeakPolarHBondContact OE1-CE 3.19Å; E336-K466 IonicContact OE1-NZ 3.13Å; E336-K466 PolarHBondContact OE1-NZ 2.83Å; E336-K466 IonicContact OE2-NZ 2.7Å; E336-K466 PolarHBondContact OE2-NZ 2.96Å
337L96.3Very high94.1Very high6 Ų649.8 Ų49.83%0.03125%0.245CC..EExtended strand (participates in β ladder)trans-105.7124.3-179.6178.966.4000109.4L270 L308 P334 V339 Y400 Y463L270-L337 HydrophobicContact CD2-CD1 4.2Å; L270-L337 HydrophobicContact CD2-CD2 4.11Å; L308-L337 HydrophobicContact CD2-CD2 4.29Å; P334-L337 HydrophobicContact CG-CB 4.17Å; P334-L337 HydrophobicContact CG-CD1 3.9Å; L337-V339 HydrophobicContact CD1-CG1 4.47Å; L337-V339 HydrophobicContact CD2-CG1 3.87Å; L337-V339 HydrophobicContact CG-CG1 3.85Å; L337-Y400 PolarHBondContact N-O 3.23Å; L337-Y400 PolarHBondContact O-N 2.85Å; L337-Y463 HydrophobicContact CB-CD1 3.81Å; L337-Y463 HydrophobicContact CB-CE1 3.5Å; L337-Y463 VanDerWaalsContact CB-CE1 3.5Å; L337-Y463 HydrophobicContact CB-CG 4.49Å; L337-Y463 HydrophobicContact CD2-CD1 4.33Å; L337-Y463 HydrophobicContact CD2-CD2 3.94Å; L337-Y463 HydrophobicContact CD2-CE1 4.22Å; L337-Y463 HydrophobicContact CD2-CE2 3.8Å; L337-Y463 HydrophobicContact CD2-CG 4.21Å; L337-Y463 HydrophobicContact CG-CE1 4.48Å
338D96.3Very high94.4Very high61 Ų6150 Ų5033%0.32625%0.245SC..EExtended strand (participates in β ladder)trans-103.5123.9169.5-166.3-13.9000109.2Y340 R355D338-Y340 WeakPolarHBondContact OD1-CB 3.41Å; D338-Y340 PolarHBondContact OD1-N 2.85Å; D338-R355 IonicContact OD1-CZ 2.89Å; D338-R355 IonicContact OD1-NH1 3.93Å; D338-R355 PolarHBondContact OD1-NH1 2.71Å; D338-R355 IonicContact OD1-NH2 3.06Å; D338-R355 IonicContact OD2-CZ 3.84Å; D338-R355 IonicContact OD2-NH1 2.65Å; D338-R355 PolarHBondContact OD2-NH1 2.82Å; D338-R355 VanDerWaalsContact OD2-NH1 3.15Å; D338-R355 IonicContact OD2-NH2 3.99Å; D338-R355 PolarHBondContact OD2-NH2 2.97Å
339V95.5Very high94.8Very high0 Ų050.6 Ų50.60%026%0.256CS..  trans-112.612.4179.6-60.70000112.8L304 L308 L337 E341 L342 C343 G398 Y400L304-V339 HydrophobicContact CD1-CG2 3.99Å; L304-V339 HydrophobicContact CD2-CG2 3.58Å; L304-V339 HydrophobicContact CG-CG2 4.47Å; L308-V339 HydrophobicContact CD2-CG1 4Å; L337-V339 HydrophobicContact CD1-CG1 4.47Å; L337-V339 HydrophobicContact CD2-CG1 3.87Å; L337-V339 HydrophobicContact CG-CG1 3.85Å; V339-E341 PolarHBondContact O-N 2.83Å; V339-L342 HydrophobicContact CB-CD1 4.24Å; V339-L342 HydrophobicContact CG1-CD1 4.31Å; V339-L342 WeakPolarHBondContact O-CB 3.29Å; V339-L342 PolarHBondContact O-N 3.38Å; V339-C343 PolarHBondContact O-SG 2.69Å; V339-G398 WeakPolarHBondContact CG2-O 3.25Å; V339-G398 PolarHBondContact N-O 2.89Å; V339-Y400 HydrophobicContact CG2-CD2 4.07Å; V339-Y400 HydrophobicContact CG2-CE2 3.6Å
340Y95.3Very high95.1Very high51 Ų5153.7 Ų53.720%0.227%0.269CS..G310 helixtrans-53.5-38.6-179.7179.9-100.4000114.1D338 L342 C343 K348 L351 Q352 R355D338-Y340 WeakPolarHBondContact OD1-CB 3.41Å; D338-Y340 PolarHBondContact OD1-N 2.85Å; Y340-L342 PolarHBondContact O-N 3.33Å; Y340-C343 WeakPolarHBondContact O-CB 3.25Å; Y340-C343 PolarHBondContact O-N 3Å; Y340-K348 HydrophobicContact CD2-CB 4.41Å; Y340-K348 HydrophobicContact CD2-CG 4.02Å; Y340-K348 HydrophobicContact CE1-CD 4.05Å; Y340-K348 HydrophobicContact CE1-CG 4.14Å; Y340-K348 HydrophobicContact CE2-CB 3.6Å; Y340-K348 HydrophobicContact CE2-CD 4.39Å; Y340-K348 HydrophobicContact CE2-CG 3.62Å; Y340-K348 HydrophobicContact CG-CG 4.43Å; Y340-K348 VanDerWaalsContact O-CE 3.3Å; Y340-K348 WeakPolarHBondContact O-CE 3.34Å; Y340-L351 HydrophobicContact CD2-CB 4.47Å; Y340-L351 HydrophobicContact CD2-CD1 4.19Å; Y340-Q352 PolarHBondContact OH-NE2 2.93Å; Y340-R355 VanDerWaalsContact CB-NH1 3.26Å
341E93.4Very high95.3Very high132 Ų13250.7 Ų50.762%0.61725%0.254SS*.G310 helixtrans-67.4-18.5178.4-63.1-172.4164.700113.5R275 V339R275-E341 IonicContact CZ-OE2 3.55Å; R275-E341 IonicContact NH2-OE2 3.69Å; R275-E341 PolarHBondContact NH2-OE2 2.79Å; V339-E341 PolarHBondContact O-N 2.83Å
342L94.5Very high95.3Very high9 Ų955.8 Ų55.85%0.04728%0.277CS..G310 helixtrans-90.3-4.2178.7-55.2-178.7000113I271 L274 R275 M278 I301 V339 Y340I271-L342 HydrophobicContact CD1-CD1 3.84Å; I271-L342 HydrophobicContact CD1-CD2 4.35Å; I271-L342 HydrophobicContact CD1-CG 4.04Å; L274-L342 HydrophobicContact CB-CD1 4.01Å; L274-L342 HydrophobicContact CD1-CD1 4.11Å; R275-L342 HydrophobicContact CB-CD2 4.43Å; M278-L342 HydrophobicContact CE-CB 4.14Å; M278-L342 HydrophobicContact CE-CD1 3.95Å; M278-L342 HydrophobicContact CE-CD2 4.21Å; M278-L342 HydrophobicContact CE-CG 4.33Å; M278-L342 HydrophobicContact CG-CD2 4.23Å; I301-L342 HydrophobicContact CD1-CB 3.98Å; I301-L342 PolarHBondContact N-O 3.4Å; V339-L342 HydrophobicContact CB-CD1 4.24Å; V339-L342 HydrophobicContact CG1-CD1 4.31Å; V339-L342 WeakPolarHBondContact O-CB 3.29Å; V339-L342 PolarHBondContact O-N 3.38Å; Y340-L342 PolarHBondContact O-N 3.33Å
343C95.8Very high95.2Very high4 Ų455.9 Ų55.93%0.02729%0.287CS..BIsolated β-bridgetrans-90158.7-174.3-61.20000112.5I301 V339 Y340 L347 K348I301-C343 WeakPolarHBondContact O-CA 3.43Å; V339-C343 PolarHBondContact O-SG 2.69Å; Y340-C343 WeakPolarHBondContact O-CB 3.25Å; Y340-C343 PolarHBondContact O-N 3Å; C343-L347 HydrophobicContact CB-CB 4.25Å; C343-L347 HydrophobicContact CB-CD2 3.89Å; C343-L347 HydrophobicContact CB-CG 4.22Å; C343-K348 HydrophobicContact CB-CG 4.08Å; C343-K348 WeakPolarHBondContact O-CE 3.47Å; C343-K348 PolarHBondContact O-NZ 3.38Å
344T95.3Very high95.1Very high18 Ų1856.4 Ų56.411%0.1129%0.293CS..  trans-64.5157.4167.761.30000111F238 A300 I301 E346 L347 K348F238-T344 HydrophobicContact CB-CG2 3.78Å; F238-T344 HydrophobicContact CD1-CG2 4.47Å; F238-T344 HydrophobicContact CG-CG2 4.43Å; A300-T344 HydrophobicContact CB-CG2 3.66Å; I301-T344 PolarHBondContact O-N 2.87Å; T344-E346 VanDerWaalsContact C-N 3.26Å; T344-E346 PolarHBondContact O-N 2.68Å; T344-L347 PolarHBondContact O-N 3.33Å; T344-L347 WeakPolarHBondContact OG1-CB 3.19Å; T344-L347 PolarHBondContact OG1-N 3.47Å; T344-K348 VanDerWaalsContact O-CG 3.31Å; T344-K348 WeakPolarHBondContact O-CG 3.07Å; T344-K348 PolarHBondContact O-N 2.75Å
345D95.2Very high95Very high122 Ų12255.7 Ų55.765%0.65228%0.284SS*.Hα-helixtrans-65.7-31.6179.2-64.5-29.8000112.4K348 A349D345-K348 PolarHBondContact O-N 2.88Å; D345-K348 IonicContact OD1-NZ 3.06Å; D345-K348 PolarHBondContact OD1-NZ 3.12Å; D345-A349 PolarHBondContact O-N 3.45Å
346E95.4Very high94.9Very high157 Ų15760.1 Ų60.173%0.73430%0.304SS*.Hα-helixtrans-61.8-47.6171.4-63.9-179.7-175.600111.9T344 A349 K350T344-E346 VanDerWaalsContact C-N 3.26Å; T344-E346 PolarHBondContact O-N 2.68Å; E346-A349 PolarHBondContact O-N 3.45Å; E346-K350 PolarHBondContact O-N 2.76Å
347L95.3Very high94.7Very high9 Ų958.6 Ų58.65%0.04730%0.298CS..Hα-helixtrans-66.7-42177.4-178.361.4000110.4I301 L304 C343 T344 A349 K350 L351 F388I301-L347 HydrophobicContact CG2-CD2 4.36Å; I301-L347 WeakPolarHBondContact O-CD2 3.21Å; L304-L347 HydrophobicContact CD1-CD2 4.12Å; L304-L347 HydrophobicContact CG-CD2 3.96Å; C343-L347 HydrophobicContact CB-CB 4.25Å; C343-L347 HydrophobicContact CB-CD2 3.89Å; C343-L347 HydrophobicContact CB-CG 4.22Å; T344-L347 PolarHBondContact O-N 3.33Å; T344-L347 WeakPolarHBondContact OG1-CB 3.19Å; T344-L347 PolarHBondContact OG1-N 3.47Å; L347-A349 VanDerWaalsContact C-N 3.27Å; L347-A349 PolarHBondContact O-N 3.28Å; L347-K350 WeakPolarHBondContact O-CA 3.35Å; L347-K350 WeakPolarHBondContact O-CB 3.3Å; L347-K350 PolarHBondContact O-N 3.02Å; L347-L351 HydrophobicContact CD1-CD1 4.47Å; L347-L351 HydrophobicContact CD1-CD2 4.26Å; L347-L351 HydrophobicContact CD1-CG 4.14Å; L347-L351 HydrophobicContact CD2-CD1 4.41Å; L347-L351 HydrophobicContact CG-CD1 3.92Å; L347-L351 HydrophobicContact CG-CG 4.08Å; L347-L351 VanDerWaalsContact O-CG 3.24Å; L347-L351 WeakPolarHBondContact O-CG 3.32Å; L347-L351 PolarHBondContact O-N 2.86Å; L347-F388 HydrophobicContact CD1-CE2 4.18Å; L347-F388 HydrophobicContact CD1-CZ 4.46Å
348K96.6Very high94.5Very high45 Ų4558.8 Ų58.820%0.19630%0.299CS..Hα-helixtrans-54.1-43.2175.3-75.2178.3-163150.80112.1Y340 C343 T344 D345 L351 Q352Y340-K348 HydrophobicContact CD2-CB 4.41Å; Y340-K348 HydrophobicContact CD2-CG 4.02Å; Y340-K348 HydrophobicContact CE1-CD 4.05Å; Y340-K348 HydrophobicContact CE1-CG 4.14Å; Y340-K348 HydrophobicContact CE2-CB 3.6Å; Y340-K348 HydrophobicContact CE2-CD 4.39Å; Y340-K348 HydrophobicContact CE2-CG 3.62Å; Y340-K348 HydrophobicContact CG-CG 4.43Å; Y340-K348 VanDerWaalsContact O-CE 3.3Å; Y340-K348 WeakPolarHBondContact O-CE 3.34Å; C343-K348 HydrophobicContact CB-CG 4.08Å; C343-K348 WeakPolarHBondContact O-CE 3.47Å; C343-K348 PolarHBondContact O-NZ 3.38Å; T344-K348 VanDerWaalsContact O-CG 3.31Å; T344-K348 WeakPolarHBondContact O-CG 3.07Å; T344-K348 PolarHBondContact O-N 2.75Å; D345-K348 PolarHBondContact O-N 2.88Å; D345-K348 IonicContact OD1-NZ 3.06Å; D345-K348 PolarHBondContact OD1-NZ 3.12Å; K348-L351 PolarHBondContact O-N 2.98Å; K348-Q352 WeakPolarHBondContact O-CG 3.07Å; K348-Q352 PolarHBondContact O-N 2.81Å
349A96.1Very high94.3Very high56 Ų5658.5 Ų58.546%0.46330%0.297SS..Hα-helixtrans-62.9-41.5176.500000111.9D345 E346 L347 L351D345-A349 PolarHBondContact O-N 3.45Å; E346-A349 PolarHBondContact O-N 3.45Å; L347-A349 VanDerWaalsContact C-N 3.27Å; L347-A349 PolarHBondContact O-N 3.28Å; A349-L351 VanDerWaalsContact C-N 3.34Å; A349-L351 PolarHBondContact O-N 3.43Å
350K94.8Very high94.1Very high123 Ų12361.6 Ų61.654%0.53531%0.314SS..Hα-helixtrans-66.2-32.4175.3-67.6-176.9179.7-174.40113.4E346 L347 P353 F388E346-K350 PolarHBondContact O-N 2.76Å; L347-K350 WeakPolarHBondContact O-CA 3.35Å; L347-K350 WeakPolarHBondContact O-CB 3.3Å; L347-K350 PolarHBondContact O-N 3.02Å; K350-P353 WeakPolarHBondContact O-CD 3.48Å; K350-F388 HydrophobicContact CB-CE1 4.16Å; K350-F388 HydrophobicContact CB-CZ 3.9Å; K350-F388 WeakPolarHBondContact O-CE1 3.35Å
351L95Very high93.9Very high0 Ų060 Ų600%031%0.308CS..Hα-helixtrans-78.1-24-178.9-63.3173000113.5L304 Y340 L347 K348 A349 A354 R355 F388 N395 N396L304-L351 HydrophobicContact CD1-CD1 4.04Å; L304-L351 HydrophobicContact CD1-CD2 4.44Å; Y340-L351 HydrophobicContact CD2-CB 4.47Å; Y340-L351 HydrophobicContact CD2-CD1 4.19Å; L347-L351 HydrophobicContact CD1-CD1 4.47Å; L347-L351 HydrophobicContact CD1-CD2 4.26Å; L347-L351 HydrophobicContact CD1-CG 4.14Å; L347-L351 HydrophobicContact CD2-CD1 4.41Å; L347-L351 HydrophobicContact CG-CD1 3.92Å; L347-L351 HydrophobicContact CG-CG 4.08Å; L347-L351 VanDerWaalsContact O-CG 3.24Å; L347-L351 WeakPolarHBondContact O-CG 3.32Å; L347-L351 PolarHBondContact O-N 2.86Å; K348-L351 PolarHBondContact O-N 2.98Å; A349-L351 VanDerWaalsContact C-N 3.34Å; A349-L351 PolarHBondContact O-N 3.43Å; L351-A354 PolarHBondContact O-N 2.65Å; L351-R355 VanDerWaalsContact O-CG 3.29Å; L351-R355 WeakPolarHBondContact O-CG 3.3Å; L351-R355 PolarHBondContact O-N 3.16Å; L351-R355 VanDerWaalsContact O-N 3.11Å; L351-F388 HydrophobicContact CD2-CE2 4.09Å; L351-F388 HydrophobicContact CD2-CZ 3.68Å; L351-F388 HydrophobicContact CG-CZ 4.45Å; L351-N395 WeakPolarHBondContact CD2-O 3.26Å; L351-N396 VanDerWaalsContact CD2-O 3.28Å; L351-N396 WeakPolarHBondContact CD2-O 3.22Å
352Q94.4Very high93.6Very high109 Ų10956.7 Ų56.751%0.50929%0.293SS..Hα-helixtrans-55.8-47.1-173.9-85.9174.6-900114.7Y340 K348 A354 R355 Q356Y340-Q352 PolarHBondContact OH-NE2 2.93Å; K348-Q352 WeakPolarHBondContact O-CG 3.07Å; K348-Q352 PolarHBondContact O-N 2.81Å; Q352-A354 PolarHBondContact O-N 2.8Å; Q352-R355 PolarHBondContact O-N 3.04Å; Q352-Q356 PolarHBondContact O-N 2.78Å
353P93.3Very high93.4Very high91 Ų9162.5 Ų62.559%0.59132%0.32SS*.Hα-helixtrans-59.8-44.7-178-25.235.1000113.2K350 M357K350-P353 WeakPolarHBondContact O-CD 3.48Å; P353-M357 PolarHBondContact O-N 2.83Å; P353-M357 VanDerWaalsContact O-N 3.1Å
354A92.5Very high93.1Very high19 Ų1968.2 Ų68.216%0.15734%0.344CS..Hα-helixtrans-69-36.3178.900000111.8L351 Q352 M357 I358 N396L351-A354 PolarHBondContact O-N 2.65Å; Q352-A354 PolarHBondContact O-N 2.8Å; A354-M357 PolarHBondContact O-N 3.11Å; A354-I358 VanDerWaalsContact O-CG1 3.3Å; A354-I358 WeakPolarHBondContact O-CG1 3.45Å; A354-I358 PolarHBondContact O-N 3.06Å; A354-N396 HydrophobicContact CB-CB 4.4Å; A354-N396 VanDerWaalsContact CB-O 3.23Å; A354-N396 WeakPolarHBondContact CB-O 3.46Å
355R94.1Very high92.6Very high34 Ų3470.6 Ų70.613%0.12835%0.353CS..Hα-helixtrans-62.5-48.9175.1-71.9171.373.493.4-6.1111.7D338 Y340 L351 Q352 M357 I358 D359 S397D338-R355 IonicContact OD1-CZ 2.89Å; D338-R355 IonicContact OD1-NH1 3.93Å; D338-R355 PolarHBondContact OD1-NH1 2.71Å; D338-R355 IonicContact OD1-NH2 3.06Å; D338-R355 IonicContact OD2-CZ 3.84Å; D338-R355 IonicContact OD2-NH1 2.65Å; D338-R355 PolarHBondContact OD2-NH1 2.82Å; D338-R355 VanDerWaalsContact OD2-NH1 3.15Å; D338-R355 IonicContact OD2-NH2 3.99Å; D338-R355 PolarHBondContact OD2-NH2 2.97Å; Y340-R355 VanDerWaalsContact CB-NH1 3.26Å; L351-R355 VanDerWaalsContact O-CG 3.29Å; L351-R355 WeakPolarHBondContact O-CG 3.3Å; L351-R355 PolarHBondContact O-N 3.16Å; L351-R355 VanDerWaalsContact O-N 3.11Å; Q352-R355 PolarHBondContact O-N 3.04Å; R355-M357 VanDerWaalsContact C-N 3.29Å; R355-M357 PolarHBondContact O-N 2.98Å; R355-I358 WeakPolarHBondContact O-CB 3.44Å; R355-I358 PolarHBondContact O-N 2.7Å; R355-I358 VanDerWaalsContact O-N 3.14Å; R355-D359 PolarHBondContact O-N 2.82Å; R355-S397 VanDerWaalsContact CD-O 3.26Å; R355-S397 WeakPolarHBondContact CD-O 3.44Å; R355-S397 WeakPolarHBondContact CG-O 3.43Å; R355-S397 PolarHBondContact NH1-O 2.81Å; R355-S397 VanDerWaalsContact NH1-O 3.1Å
356Q93.4Very high92.1Very high110 Ų11070.9 Ų70.951%0.51435%0.348SS..Hα-helixtrans-59.3-42.9177.9-172.363.549.400111Q352 I358 D359 D360Q352-Q356 PolarHBondContact O-N 2.78Å; Q356-I358 VanDerWaalsContact C-N 3.31Å; Q356-I358 PolarHBondContact O-N 3.08Å; Q356-D359 PolarHBondContact O-N 2.89Å; Q356-D360 PolarHBondContact NE2-OD1 3.29Å; Q356-D360 PolarHBondContact O-N 2.96Å
357M91.2Very high91.7Very high75 Ų7566.9 Ų66.937%0.36934%0.335SS..Hα-helixtrans-62.1-38.4177.6-169.8179.2-17000112.7P353 A354 R355 I361 L384P353-M357 PolarHBondContact O-N 2.83Å; P353-M357 VanDerWaalsContact O-N 3.1Å; A354-M357 PolarHBondContact O-N 3.11Å; R355-M357 VanDerWaalsContact C-N 3.29Å; R355-M357 PolarHBondContact O-N 2.98Å; M357-I361 HydrophobicContact CG-CD1 4.37Å; M357-I361 WeakPolarHBondContact O-CD1 3.11Å; M357-I361 VanDerWaalsContact O-CG1 3.28Å; M357-I361 WeakPolarHBondContact O-CG1 3.41Å; M357-I361 PolarHBondContact O-N 3.04Å; M357-L384 HydrophobicContact CE-CD1 4.04Å; M357-L384 HydrophobicContact CE-CD2 3.49Å; M357-L384 VanDerWaalsContact CE-CD2 3.49Å; M357-L384 HydrophobicContact CE-CG 4.44Å; M357-L384 HydrophobicContact CG-CD1 4.1Å; M357-L384 HydrophobicContact SD-CD1 3.92Å; M357-L384 HydrophobicContact SD-CD2 4.12Å
358I91.5Very high91Very high9 Ų970.7 Ų70.75%0.04635%0.353CS..Hα-helixtrans-66.3-46.1174.8-72166.8000110.6A354 R355 Q356 D360 I361 E362 V468A354-I358 VanDerWaalsContact O-CG1 3.3Å; A354-I358 WeakPolarHBondContact O-CG1 3.45Å; A354-I358 PolarHBondContact O-N 3.06Å; R355-I358 WeakPolarHBondContact O-CB 3.44Å; R355-I358 PolarHBondContact O-N 2.7Å; R355-I358 VanDerWaalsContact O-N 3.14Å; Q356-I358 VanDerWaalsContact C-N 3.31Å; Q356-I358 PolarHBondContact O-N 3.08Å; I358-D360 PolarHBondContact O-N 2.95Å; I358-I361 PolarHBondContact O-N 3.42Å; I358-E362 HydrophobicContact CG2-CG 4.41Å; I358-E362 WeakPolarHBondContact CG2-OE1 3.44Å; I358-E362 WeakPolarHBondContact O-CG 3.41Å; I358-E362 PolarHBondContact O-N 3.48Å; I358-V468 HydrophobicContact CG1-CG2 4.07Å; I358-V468 HydrophobicContact CG2-CG2 3.97Å
359D92.1Very high90Very high56 Ų5674.1 Ų74.130%0.29937%0.369SS..Hα-helixtrans-59.5-47.2-179.9-72-29000111.5R355 Q356 I361 E362 E363 R399R355-D359 PolarHBondContact O-N 2.82Å; Q356-D359 PolarHBondContact O-N 2.89Å; D359-I361 VanDerWaalsContact C-N 3.25Å; D359-I361 PolarHBondContact O-N 3.31Å; D359-E362 PolarHBondContact O-N 3.49Å; D359-E363 WeakPolarHBondContact O-CB 3.19Å; D359-E363 PolarHBondContact O-N 3.24Å; D359-R399 VanDerWaalsContact CG-NH2 3.28Å; D359-R399 IonicContact OD1-CZ 3.37Å; D359-R399 IonicContact OD1-NH1 2.78Å; D359-R399 PolarHBondContact OD1-NH1 2.88Å; D359-R399 IonicContact OD1-NH2 2.74Å; D359-R399 PolarHBondContact OD1-NH2 3.32Å; D359-R399 IonicContact OD2-CZ 3.47Å; D359-R399 IonicContact OD2-NH2 2.71Å; D359-R399 PolarHBondContact OD2-NH2 3.21Å
360D91.9Very high89.3Confident64 Ų6478 Ų7834%0.34238%0.378SS..Hα-helixtrans-59.5-35.3177.6-67.2-6.4000112.5Q356 I358 K364Q356-D360 PolarHBondContact NE2-OD1 3.29Å; Q356-D360 PolarHBondContact O-N 2.96Å; I358-D360 PolarHBondContact O-N 2.95Å; D360-K364 WeakPolarHBondContact O-CB 3.38Å; D360-K364 WeakPolarHBondContact O-CD 3.48Å; D360-K364 WeakPolarHBondContact O-CG 3.47Å; D360-K364 PolarHBondContact O-N 3.24Å; D360-K364 VanDerWaalsContact O-N 3.16Å
361I90Very high88.5Confident17 Ų1775.8 Ų75.89%0.08738%0.383CS..Hα-helixtrans-76.1-41.9179.1-68.7168.1000110.9M357 I358 D359 E363 K364 K365 L384 V468 R470M357-I361 HydrophobicContact CG-CD1 4.37Å; M357-I361 WeakPolarHBondContact O-CD1 3.11Å; M357-I361 VanDerWaalsContact O-CG1 3.28Å; M357-I361 WeakPolarHBondContact O-CG1 3.41Å; M357-I361 PolarHBondContact O-N 3.04Å; I358-I361 PolarHBondContact O-N 3.42Å; D359-I361 VanDerWaalsContact C-N 3.25Å; D359-I361 PolarHBondContact O-N 3.31Å; I361-E363 VanDerWaalsContact C-N 3.33Å; I361-K364 PolarHBondContact O-N 3.24Å; I361-K365 HydrophobicContact CG2-CD 4.27Å; I361-K365 HydrophobicContact CG2-CG 4.48Å; I361-K365 WeakPolarHBondContact O-CG 3.33Å; I361-K365 PolarHBondContact O-N 3.18Å; I361-L384 HydrophobicContact CD1-CD1 3.49Å; I361-L384 VanDerWaalsContact CD1-CD1 3.49Å; I361-L384 HydrophobicContact CD1-CG 4.41Å; I361-V468 HydrophobicContact CB-CG1 4.1Å; I361-V468 HydrophobicContact CD1-CG1 4.18Å; I361-V468 HydrophobicContact CG2-CG1 3.56Å; I361-R470 HydrophobicContact CD1-CB 4.35Å
362E88.1Confident87.1Confident64 Ų6480.2 Ų80.230%0.29941%0.406SS..Hα-helixtrans-64.8-40.2178.2-74.5177.6-172.400111.4I358 D359 K365 K366 R399 K466I358-E362 HydrophobicContact CG2-CG 4.41Å; I358-E362 WeakPolarHBondContact CG2-OE1 3.44Å; I358-E362 WeakPolarHBondContact O-CG 3.41Å; I358-E362 PolarHBondContact O-N 3.48Å; D359-E362 PolarHBondContact O-N 3.49Å; E362-K365 PolarHBondContact O-N 3.35Å; E362-K366 WeakPolarHBondContact O-CB 3.22Å; E362-K366 PolarHBondContact O-N 3.21Å; E362-R399 IonicContact OE2-NH1 3.49Å; E362-K466 WeakPolarHBondContact OE1-CE 3.24Å; E362-K466 IonicContact OE1-NZ 3.4Å; E362-K466 PolarHBondContact OE1-NZ 3.35Å; E362-K466 IonicContact OE2-NZ 3.5Å; E362-K466 PolarHBondContact OE2-NZ 3.28Å
363E90Very high85.2Confident131 Ų13180.4 Ų80.461%0.61243%0.426SS*.Hα-helixtrans-63-42.9173.4-171.3175.9-16800111.7D359 I361 K365 K366 T367D359-E363 WeakPolarHBondContact O-CB 3.19Å; D359-E363 PolarHBondContact O-N 3.24Å; I361-E363 VanDerWaalsContact C-N 3.33Å; E363-K365 PolarHBondContact O-N 3.44Å; E363-K366 PolarHBondContact O-N 3.22Å; E363-T367 WeakPolarHBondContact O-CG2 3.34Å; E363-T367 PolarHBondContact O-N 3.02Å; E363-T367 PolarHBondContact O-OG1 3.36Å
364K88.2Confident83.2Confident124 Ų12480.5 Ų80.554%0.53944%0.435SS..Hα-helixtrans-62.3-39.7174-76.6168.7-172167.50112.6D360 I361 T367 Q368D360-K364 WeakPolarHBondContact O-CB 3.38Å; D360-K364 WeakPolarHBondContact O-CD 3.48Å; D360-K364 WeakPolarHBondContact O-CG 3.47Å; D360-K364 PolarHBondContact O-N 3.24Å; D360-K364 VanDerWaalsContact O-N 3.16Å; I361-K364 PolarHBondContact O-N 3.24Å; K364-T367 VanDerWaalsContact CA-OG1 3.32Å; K364-T367 WeakPolarHBondContact CA-OG1 3.37Å; K364-T367 PolarHBondContact O-OG1 3.07Å; K364-Q368 WeakPolarHBondContact O-CB 3.44Å; K364-Q368 VanDerWaalsContact O-CG 3.23Å; K364-Q368 WeakPolarHBondContact O-CG 3.29Å; K364-Q368 PolarHBondContact O-N 3.45Å
365K85.4Confident81Confident67 Ų6783.9 Ų83.929%0.29145%0.454SS..Hα-helixtrans-68.1-41.9177.1-76-177.4-178.8-178.60111.6I361 E362 E363 Q368 Q369 R469I361-K365 HydrophobicContact CG2-CD 4.27Å; I361-K365 HydrophobicContact CG2-CG 4.48Å; I361-K365 WeakPolarHBondContact O-CG 3.33Å; I361-K365 PolarHBondContact O-N 3.18Å; E362-K365 PolarHBondContact O-N 3.35Å; E363-K365 PolarHBondContact O-N 3.44Å; K365-Q368 PolarHBondContact O-N 3.41Å; K365-Q369 WeakPolarHBondContact O-CB 3.3Å; K365-Q369 VanDerWaalsContact O-CG 3.29Å; K365-Q369 WeakPolarHBondContact O-CG 3.41Å; K365-Q369 PolarHBondContact O-N 3.42Å; K365-R469 WeakPolarHBondContact CE-O 3.34Å; K365-R469 PolarHBondContact NZ-O 2.86Å
366K85.6Confident78.8Confident128 Ų12886.5 Ų86.556%0.55748%0.477SS*.Hα-helixtrans-61.6-47.3176.6-172.5-177.4174.9-169.30111.2E362 E363 Q368 Q369 E370E362-K366 WeakPolarHBondContact O-CB 3.22Å; E362-K366 PolarHBondContact O-N 3.21Å; E363-K366 PolarHBondContact O-N 3.22Å; K366-Q368 PolarHBondContact O-N 3.2Å; K366-Q369 PolarHBondContact O-N 3.42Å; K366-E370 WeakPolarHBondContact CE-OE1 3.4Å; K366-E370 WeakPolarHBondContact O-CG 3.45Å; K366-E370 PolarHBondContact O-N 3.34Å
367T86.2Confident76.8Confident74 Ų7486.5 Ų86.545%0.45448%0.481SS..Hα-helixtrans-64.6-37.3177.448.50000112.8E363 K364 A371E363-T367 WeakPolarHBondContact O-CG2 3.34Å; E363-T367 PolarHBondContact O-N 3.02Å; E363-T367 PolarHBondContact O-OG1 3.36Å; K364-T367 VanDerWaalsContact CA-OG1 3.32Å; K364-T367 WeakPolarHBondContact CA-OG1 3.37Å; K364-T367 PolarHBondContact O-OG1 3.07Å; T367-A371 WeakPolarHBondContact O-CB 3.42Å; T367-A371 PolarHBondContact O-N 2.91Å
368Q80.3Confident74.8Confident89 Ų8988.3 Ų88.342%0.41649%0.492SS..Hα-helixtrans-67.6-40.3173.7-75.517622.700113.2K364 K365 K366 E370 A371 N372K364-Q368 WeakPolarHBondContact O-CB 3.44Å; K364-Q368 VanDerWaalsContact O-CG 3.23Å; K364-Q368 WeakPolarHBondContact O-CG 3.29Å; K364-Q368 PolarHBondContact O-N 3.45Å; K365-Q368 PolarHBondContact O-N 3.41Å; K366-Q368 PolarHBondContact O-N 3.2Å; Q368-E370 VanDerWaalsContact C-N 3.33Å; Q368-A371 PolarHBondContact O-N 3.48Å; Q368-N372 PolarHBondContact O-N 3.33Å
369Q76.3Confident73.1Confident116 Ų11692.3 Ų92.354%0.54251%0.513SS..Hα-helixtrans-65.4-37.9176.5-76175.61.300111.8K365 K366K365-Q369 WeakPolarHBondContact O-CB 3.3Å; K365-Q369 VanDerWaalsContact O-CG 3.29Å; K365-Q369 WeakPolarHBondContact O-CG 3.41Å; K365-Q369 PolarHBondContact O-N 3.42Å; K366-Q369 PolarHBondContact O-N 3.42Å
370E81.5Confident71.7Confident138 Ų13895.6 Ų95.665%0.64553%0.531SS*.Hα-helixtrans-67.7-35.5173.8-71.9172.9-17500112K366 Q368K366-E370 WeakPolarHBondContact CE-OE1 3.4Å; K366-E370 WeakPolarHBondContact O-CG 3.45Å; K366-E370 PolarHBondContact O-N 3.34Å; Q368-E370 VanDerWaalsContact C-N 3.33Å
371A78.6Confident70.5Confident77 Ų7793 Ų9364%0.63652%0.52SS*.Hα-helixtrans-79.3-35.8179.600000114.1T367 Q368T367-A371 WeakPolarHBondContact O-CB 3.42Å; T367-A371 PolarHBondContact O-N 2.91Å; Q368-A371 PolarHBondContact O-N 3.48Å
372N63.8Low70.1Confident92 Ų9298.5 Ų98.549%0.49255%0.545SS..  trans-125.294-174.4-69.5-28.8000111.2Q368 A374 T375Q368-N372 PolarHBondContact O-N 3.33Å; N372-A374 PolarHBondContact O-N 3.34Å; N372-T375 VanDerWaalsContact CB-OG1 3.32Å; N372-T375 WeakPolarHBondContact CB-OG1 3.42Å
373A55.2Low69.9Low113 Ų11398.9 Ų98.993%0.93455%0.551SS**THydrogen-bonded Turntrans-65.60.1177.300000115.2
374A50.7Low69.7Low93 Ų9393.7 Ų93.777%0.76953%0.528SS*.THydrogen-bonded Turntrans-132.86.6-171.600000115.4N372 S376N372-A374 PolarHBondContact O-N 3.34Å; A374-S376 PolarHBondContact O-N 3.22Å
375T46.3Very low69.9Low91 Ų9192 Ų9256%0.55853%0.53SS*.  trans-80.6106.7173.4-45.30000108.8N372 N377N372-T375 VanDerWaalsContact CB-OG1 3.32Å; N372-T375 WeakPolarHBondContact CB-OG1 3.42Å; T375-N377 PolarHBondContact O-N 2.95Å
376S48.1Very low70.2Confident89 Ų8989.9 Ų89.962%0.62252%0.522SS*.  trans-46.4130.1164.8-47.10000109A374 N378A374-S376 PolarHBondContact O-N 3.22Å; S376-N378 PolarHBondContact O-N 3.47Å
377N50.9Low70.6Confident109 Ų10984.8 Ų84.858%0.58350%0.503SS*.  trans-55.791.2168.5-79.8-8.3000108.2T375 D379T375-N377 PolarHBondContact O-N 2.95Å; N377-D379 PolarHBondContact O-N 3.05Å
378N49.9Very low70.9Confident113 Ų11383.1 Ų83.160%0.60449%0.489SS*.  trans-73.7110.1172.9-78.2-10.2000106.7S376 D380S376-N378 PolarHBondContact O-N 3.47Å; N378-D380 PolarHBondContact O-N 2.95Å
379D56.8Low71.2Confident93 Ų9387.7 Ų87.750%0.49751%0.511SS..  trans-72.815.7-178.6-155.225.7000113.3N377 G381 R469N377-D379 PolarHBondContact O-N 3.05Å; D379-G381 VanDerWaalsContact C-N 3.29Å; D379-G381 PolarHBondContact O-N 3.41Å; D379-R469 WeakPolarHBondContact OD1-CD 3.41Å; D379-R469 IonicContact OD1-CZ 2.69Å; D379-R469 IonicContact OD1-NE 2.67Å; D379-R469 PolarHBondContact OD1-NE 3.07Å; D379-R469 IonicContact OD1-NH1 3.33Å; D379-R469 PolarHBondContact OD1-NH1 3.17Å; D379-R469 IonicContact OD1-NH2 2.68Å; D379-R469 IonicContact OD2-CZ 3.29Å; D379-R469 IonicContact OD2-NH1 2.65Å; D379-R469 PolarHBondContact OD2-NH1 3.06Å; D379-R469 IonicContact OD2-NH2 3.96Å
380D61.1Low71.8Confident125 Ų12588.4 Ų88.467%0.66852%0.518SS*.  trans-86.99.6-170.7-70-32.4000114.2N378 K472N378-D380 PolarHBondContact O-N 2.95Å; D380-K472 WeakPolarHBondContact O-CE 3.34Å
381G66.8Low72.2Confident11 Ų1183.8 Ų83.811%0.11350%0.498CS..SBendtrans-72.3156.1177.100000113.8D379 R470D379-G381 VanDerWaalsContact C-N 3.29Å; D379-G381 PolarHBondContact O-N 3.41Å; G381-R470 CarbonylContact C-O 3.51Å; G381-R470 WeakPolarHBondContact CA-O 3.31Å
382E81.8Confident72.8Confident132 Ų13283.2 Ų83.262%0.61749%0.486SS*.EExtended strand (participates in β ladder)trans-71.9130172.2-174.2176.2-175.600110L384 R469 R470E382-L384 PolarHBondContact O-N 2.89Å; E382-R469 CarbonylContact O-C 3.57Å; E382-R469 VanDerWaalsContact O-CA 3.3Å; E382-R469 WeakPolarHBondContact O-CA 3.34Å; E382-R470 PolarHBondContact N-O 3.45Å; E382-R470 PolarHBondContact O-N 3.4Å
383V84Confident74.2Confident71 Ų7178.8 Ų78.843%0.4346%0.463SS..EExtended strand (participates in β ladder)trans-76122.4177.31750000109V467 R469V383-V467 HydrophobicContact CG1-CG1 3.55Å; V383-V467 HydrophobicContact CG2-CG1 4.46Å; V383-R469 HydrophobicContact CG2-CG 3.85Å
384L87.2Confident76.1Confident23 Ų2373.5 Ų73.512%0.1242%0.419CS..PPolyproline II helixtrans-65.5149.1175.3-69.2-176.1000111.9M357 I361 E382 T386 V468 R470M357-L384 HydrophobicContact CE-CD1 4.04Å; M357-L384 HydrophobicContact CE-CD2 3.49Å; M357-L384 VanDerWaalsContact CE-CD2 3.49Å; M357-L384 HydrophobicContact CE-CG 4.44Å; M357-L384 HydrophobicContact CG-CD1 4.1Å; M357-L384 HydrophobicContact SD-CD1 3.92Å; M357-L384 HydrophobicContact SD-CD2 4.12Å; I361-L384 HydrophobicContact CD1-CD1 3.49Å; I361-L384 VanDerWaalsContact CD1-CD1 3.49Å; I361-L384 HydrophobicContact CD1-CG 4.41Å; E382-L384 PolarHBondContact O-N 2.89Å; L384-T386 PolarHBondContact O-N 2.75Å; L384-V468 PolarHBondContact N-O 3.01Å; L384-R470 HydrophobicContact CD2-CB 4.48Å
385P90.4Very high78.2Confident89 Ų8969.1 Ų69.158%0.57838%0.383SS*.PPolyproline II helixtrans-59.8136.9173.425.8-33.6000110.2N396P385-N396 PolarHBondContact O-ND2 2.94Å
386T92.6Very high80.6Confident22 Ų2265.6 Ų65.614%0.13536%0.36CS..  trans-106.7-4.8-178.9460000113.4L384 N395 N396 P465 V467L384-T386 PolarHBondContact O-N 2.75Å; T386-N395 WeakPolarHBondContact O-CA 3.38Å; T386-N396 PolarHBondContact O-N 2.81Å; T386-N396 PolarHBondContact O-OD1 3.33Å; T386-P465 HydrophobicContact CG2-CB 3.89Å; T386-P465 HydrophobicContact CG2-CG 4.07Å; T386-V467 HydrophobicContact CG2-CG2 4.28Å
387S93.1Very high82.8Confident20 Ų2061.4 Ų61.414%0.1433%0.331CS..SBendtrans-124.8157.6178.7-61.30000109.5G393 S394 N396S387-G393 PolarHBondContact OG-N 3.25Å; S387-S394 WeakPolarHBondContact CA-O 3.29Å; S387-S394 WeakPolarHBondContact CB-O 3.26Å; S387-S394 PolarHBondContact OG-O 3.43Å; S387-N396 PolarHBondContact O-ND2 2.95Å
388F92.8Very high84.9Confident39 Ų3956.2 Ų56.217%0.17130%0.303CS..  trans-68151.2168.9-65.1-66.5000110.6L347 K350 L351 D390 D391 S394 N395 N396L347-F388 HydrophobicContact CD1-CE2 4.18Å; L347-F388 HydrophobicContact CD1-CZ 4.46Å; K350-F388 HydrophobicContact CB-CE1 4.16Å; K350-F388 HydrophobicContact CB-CZ 3.9Å; K350-F388 WeakPolarHBondContact O-CE1 3.35Å; L351-F388 HydrophobicContact CD2-CE2 4.09Å; L351-F388 HydrophobicContact CD2-CZ 3.68Å; L351-F388 HydrophobicContact CG-CZ 4.45Å; F388-D390 WeakPolarHBondContact CB-OD1 3.3Å; F388-D391 HydrophobicContact CB-CB 4.34Å; F388-D391 CarbonylContact O-C 3.55Å; F388-D391 PolarHBondContact O-N 2.84Å; F388-S394 VanDerWaalsContact CD2-OG 3.26Å; F388-S394 WeakPolarHBondContact CD2-OG 3.46Å; F388-S394 PolarHBondContact N-OG 2.74Å; F388-N395 WeakPolarHBondContact CE2-O 3.31Å; F388-N396 HydrophobicContact CD1-CB 3.75Å; F388-N396 HydrophobicContact CD2-CB 4.34Å; F388-N396 HydrophobicContact CE1-CB 3.76Å; F388-N396 HydrophobicContact CE2-CB 4.34Å; F388-N396 HydrophobicContact CG-CB 4.05Å; F388-N396 HydrophobicContact CZ-CB 4.09Å
389E88.2Confident87.1Confident185 Ų18552.4 Ų52.486%0.86428%0.281SS*.SBendtrans-70.3-36.6-179.5-64.9-177.5177.200111.7
390D88.6Confident89.1Confident132 Ų13248 Ų4871%0.70626%0.257SS*.SBendtrans-78.3-22.1176.858.3-46.9000113.2F388F388-D390 WeakPolarHBondContact CB-OD1 3.3Å
391D89.7Confident90.7Very high40 Ų4042.4 Ų42.421%0.21423%0.227CC..SBendtrans-131.580.1-178.7-173.510.9000112R303 F388 G393 S394R303-D391 IonicContact CZ-OD1 3.38Å; R303-D391 IonicContact CZ-OD2 3.72Å; R303-D391 IonicContact NE-OD1 3.21Å; R303-D391 PolarHBondContact NE-OD1 2.79Å; R303-D391 IonicContact NE-OD2 2.81Å; R303-D391 PolarHBondContact NE-OD2 3.37Å; R303-D391 IonicContact NH2-OD1 2.7Å; R303-D391 PolarHBondContact NH2-OD1 3.35Å; R303-D391 IonicContact NH2-OD2 3.49Å; R303-D391 PolarHBondContact NH2-OD2 2.66Å; F388-D391 HydrophobicContact CB-CB 4.34Å; F388-D391 CarbonylContact O-C 3.55Å; F388-D391 PolarHBondContact O-N 2.84Å; D391-G393 PolarHBondContact O-N 3.16Å; D391-S394 WeakPolarHBondContact O-CB 3.47Å; D391-S394 PolarHBondContact O-N 2.75Å; D391-S394 VanDerWaalsContact O-N 3.14Å; D391-S394 PolarHBondContact O-OG 3.23Å; D391-S394 WeakPolarHBondContact OD2-CB 3.41Å
392V91.2Very high92.2Very high65 Ų6541.9 Ų41.939%0.39422%0.222SC..THydrogen-bonded Turntrans-61.1124.7178.9179.70000110.9Y218Y218-V392 HydrophobicContact CE1-CB 4.25Å; Y218-V392 HydrophobicContact CE1-CG1 4.27Å; Y218-V392 PolarHBondContact OH-O 3.34Å
393G92.1Very high92.8Very high0 Ų037.4 Ų37.40%020%0.201CC..THydrogen-bonded Turntrans93.32.3-178.800000114.5A231 K306 S387 D391A231-G393 CarbonylContact O-C 3.59Å; A231-G393 VanDerWaalsContact O-C 3.29Å; A231-G393 WeakPolarHBondContact O-CA 3.36Å; K306-G393 WeakPolarHBondContact CB-O 3.5Å; K306-G393 PolarHBondContact N-O 3.39Å; S387-G393 PolarHBondContact OG-N 3.25Å; D391-G393 PolarHBondContact O-N 3.16Å
394S94.8Very high93.4Very high2 Ų234 Ų341%0.01418%0.181CC..BIsolated β-bridgetrans-76.9169.8161.8640000112.4L304 S387 F388 D391L304-S394 CarbonylContact O-C 3.56Å; L304-S394 WeakPolarHBondContact O-CA 3.27Å; S387-S394 WeakPolarHBondContact CA-O 3.29Å; S387-S394 WeakPolarHBondContact CB-O 3.26Å; S387-S394 PolarHBondContact OG-O 3.43Å; F388-S394 VanDerWaalsContact CD2-OG 3.26Å; F388-S394 WeakPolarHBondContact CD2-OG 3.46Å; F388-S394 PolarHBondContact N-OG 2.74Å; D391-S394 WeakPolarHBondContact O-CB 3.47Å; D391-S394 PolarHBondContact O-N 2.75Å; D391-S394 VanDerWaalsContact O-N 3.14Å; D391-S394 PolarHBondContact O-OG 3.23Å; D391-S394 WeakPolarHBondContact OD2-CB 3.41Å
395N96.5Very high94Very high1 Ų133 Ų331%0.00518%0.175CC..  trans-101126.9165.1-173.9-47.9000110.2L304 L351 T386 F388 S397 G398 R399 Y400L304-N395 HydrophobicContact CB-CB 4.07Å; L304-N395 PolarHBondContact O-N 2.96Å; L351-N395 WeakPolarHBondContact CD2-O 3.26Å; T386-N395 WeakPolarHBondContact O-CA 3.38Å; F388-N395 WeakPolarHBondContact CE2-O 3.31Å; N395-S397 PolarHBondContact OD1-N 2.83Å; N395-S397 PolarHBondContact OD1-OG 2.94Å; N395-G398 PolarHBondContact OD1-N 3.15Å; N395-R399 PolarHBondContact ND2-O 2.61Å; N395-Y400 HydrophobicContact CB-CE1 4.21Å; N395-Y400 HydrophobicContact CB-CE2 4.46Å; N395-Y400 WeakPolarHBondContact CB-OH 3.36Å; N395-Y400 VanDerWaalsContact ND2-CE1 3.31Å; N395-Y400 WeakPolarHBondContact ND2-CE1 3.36Å; N395-Y400 VanDerWaalsContact ND2-CZ 3.29Å
396N95.4Very high94.3Very high16 Ų1628.8 Ų28.89%0.08615%0.148CC..SBendtrans-92.8-4.5-175.967.1-6.9000115.9L351 A354 P385 T386 S387 F388L351-N396 VanDerWaalsContact CD2-O 3.28Å; L351-N396 WeakPolarHBondContact CD2-O 3.22Å; A354-N396 HydrophobicContact CB-CB 4.4Å; A354-N396 VanDerWaalsContact CB-O 3.23Å; A354-N396 WeakPolarHBondContact CB-O 3.46Å; P385-N396 PolarHBondContact O-ND2 2.94Å; T386-N396 PolarHBondContact O-N 2.81Å; T386-N396 PolarHBondContact O-OD1 3.33Å; S387-N396 PolarHBondContact O-ND2 2.95Å; F388-N396 HydrophobicContact CD1-CB 3.75Å; F388-N396 HydrophobicContact CD2-CB 4.34Å; F388-N396 HydrophobicContact CE1-CB 3.76Å; F388-N396 HydrophobicContact CE2-CB 4.34Å; F388-N396 HydrophobicContact CG-CB 4.05Å; F388-N396 HydrophobicContact CZ-CB 4.09Å
397S94.7Very high94.5Very high2 Ų227.7 Ų27.71%0.01414%0.141CC..SBendtrans-121.6-18.2-177.464.50000114.2R355 N395 R399R355-S397 VanDerWaalsContact CD-O 3.26Å; R355-S397 WeakPolarHBondContact CD-O 3.44Å; R355-S397 WeakPolarHBondContact CG-O 3.43Å; R355-S397 PolarHBondContact NH1-O 2.81Å; R355-S397 VanDerWaalsContact NH1-O 3.1Å; N395-S397 PolarHBondContact OD1-N 2.83Å; N395-S397 PolarHBondContact OD1-OG 2.94Å; S397-R399 PolarHBondContact O-N 3.17Å; S397-R399 PolarHBondContact OG-N 3.46Å
398G95.1Very high94.6Very high0 Ų026.8 Ų26.80%014%0.135CC..SBendtrans71.46.6-171.600000113.5V339 N395V339-G398 WeakPolarHBondContact CG2-O 3.25Å; V339-G398 PolarHBondContact N-O 2.89Å; N395-G398 PolarHBondContact OD1-N 3.15Å
399R96.9Very high94.5Very high33 Ų3329 Ų2913%0.12514%0.144CC..EExtended strand (participates in β ladder)trans-101.8134.2174.7-64.5-172.5-179.9168.67.7110.1D359 E362 N395 S397 K466D359-R399 VanDerWaalsContact CG-NH2 3.28Å; D359-R399 IonicContact OD1-CZ 3.37Å; D359-R399 IonicContact OD1-NH1 2.78Å; D359-R399 PolarHBondContact OD1-NH1 2.88Å; D359-R399 IonicContact OD1-NH2 2.74Å; D359-R399 PolarHBondContact OD1-NH2 3.32Å; D359-R399 IonicContact OD2-CZ 3.47Å; D359-R399 IonicContact OD2-NH2 2.71Å; D359-R399 PolarHBondContact OD2-NH2 3.21Å; E362-R399 IonicContact OE2-NH1 3.49Å; N395-R399 PolarHBondContact ND2-O 2.61Å; S397-R399 PolarHBondContact O-N 3.17Å; S397-R399 PolarHBondContact OG-N 3.46Å; R399-K466 HydrophobicContact CB-CB 3.92Å; R399-K466 HydrophobicContact CB-CD 4.06Å; R399-K466 PolarHBondContact O-N 3.39Å; R399-K466 VanDerWaalsContact O-N 3.1Å
400Y97.5Very high94.6Very high0 Ų021.1 Ų21.10%011%0.112CC..EExtended strand (participates in β ladder)trans-126.4154.1179.5-67.1-95.3000111.1L304 P305 K306 L308 E336 L337 V339 N395 G464L304-Y400 WeakPolarHBondContact CB-OH 3.25Å; L304-Y400 HydrophobicContact CD2-CE2 4.29Å; P305-Y400 VanDerWaalsContact O-CE1 3.29Å; P305-Y400 WeakPolarHBondContact O-CE1 3.46Å; P305-Y400 PolarHBondContact O-OH 2.97Å; K306-Y400 WeakPolarHBondContact O-CE1 3.21Å; L308-Y400 HydrophobicContact CB-CD1 3.99Å; L308-Y400 HydrophobicContact CB-CE1 3.65Å; L308-Y400 HydrophobicContact CD2-CD2 4.39Å; L308-Y400 HydrophobicContact CD2-CE2 4.17Å; E336-Y400 CarbonylContact C-O 3.39Å; E336-Y400 VanDerWaalsContact CA-O 3.29Å; E336-Y400 WeakPolarHBondContact CA-O 3.49Å; L337-Y400 PolarHBondContact N-O 3.23Å; L337-Y400 PolarHBondContact O-N 2.85Å; V339-Y400 HydrophobicContact CG2-CD2 4.07Å; V339-Y400 HydrophobicContact CG2-CE2 3.6Å; N395-Y400 HydrophobicContact CB-CE1 4.21Å; N395-Y400 HydrophobicContact CB-CE2 4.46Å; N395-Y400 WeakPolarHBondContact CB-OH 3.36Å; N395-Y400 VanDerWaalsContact ND2-CE1 3.31Å; N395-Y400 WeakPolarHBondContact ND2-CE1 3.36Å; N395-Y400 VanDerWaalsContact ND2-CZ 3.29Å; Y400-G464 CarbonylContact C-O 3.53Å; Y400-G464 WeakPolarHBondContact CA-O 3.45Å; Y400-G464 WeakPolarHBondContact CB-O 3.45Å; Y400-G464 WeakPolarHBondContact CD1-O 3.3Å
401T95.9Very high94.3Very high7 Ų722.3 Ų22.34%0.04311%0.107CC..EExtended strand (participates in β ladder)trans-119.8135.8168.2-44.80000110I335 Q403 G464I335-T401 HydrophobicContact CG2-CG2 4.09Å; I335-T401 CarbonylContact O-C 3.33Å; I335-T401 WeakPolarHBondContact O-CA 3.24Å; T401-Q403 PolarHBondContact O-N 3.29Å; T401-G464 PolarHBondContact N-O 2.86Å; T401-G464 PolarHBondContact O-N 2.96Å
402L97.2Very high93.9Very high0 Ų023 Ų230%012%0.116CC..EExtended strand (participates in β ladder)trans-60.2126.4179.1-168.967.3000109.7F333 I335 V405 W430 I446 L461 Y463F333-L402 HydrophobicContact CD2-CD2 3.91Å; F333-L402 HydrophobicContact CE2-CD2 3.65Å; I335-L402 HydrophobicContact CD1-CD2 3.89Å; I335-L402 WeakPolarHBondContact O-CB 3.33Å; I335-L402 PolarHBondContact O-N 2.94Å; L402-V405 HydrophobicContact CD1-CG2 4.06Å; L402-V405 HydrophobicContact CD2-CG2 3.54Å; L402-V405 HydrophobicContact CG-CG2 4.01Å; L402-W430 HydrophobicContact CB-CH2 3.96Å; L402-W430 HydrophobicContact CB-CZ2 4.37Å; L402-W430 HydrophobicContact CD2-CH2 3.82Å; L402-W430 HydrophobicContact CD2-CZ2 4.36Å; L402-W430 HydrophobicContact CG-CH2 3.74Å; L402-W430 WeakPolarHBondContact O-CH2 3.38Å; L402-I446 HydrophobicContact CD2-CG2 3.96Å; L402-L461 HydrophobicContact CD1-CB 4.21Å; L402-L461 HydrophobicContact CD1-CD2 4.19Å; L402-Y463 HydrophobicContact CB-CD1 4.03Å; L402-Y463 HydrophobicContact CB-CE1 3.72Å; L402-Y463 HydrophobicContact CD1-CD1 4.08Å; L402-Y463 HydrophobicContact CD1-CD2 4.14Å; L402-Y463 HydrophobicContact CD1-CE1 3.72Å; L402-Y463 HydrophobicContact CD1-CE2 3.81Å; L402-Y463 HydrophobicContact CD1-CG 4.27Å; L402-Y463 HydrophobicContact CG-CE1 4.29Å
403Q95.1Very high93.1Very high38 Ų3821.2 Ų21.218%0.17811%0.106CC..EExtended strand (participates in β ladder)trans-110.2-35.9179.9-73.5-170.4-12.600112.1T401 V422 R423 L462T401-Q403 PolarHBondContact O-N 3.29Å; Q403-V422 CarbonylContact O-C 3.38Å; Q403-V422 WeakPolarHBondContact O-CA 3.48Å; Q403-R423 PolarHBondContact O-N 3.08Å; Q403-L462 PolarHBondContact N-O 2.81Å
404A97.2Very high92.3Very high1 Ų125.5 Ų25.51%0.00813%0.129CC..EExtended strand (participates in β ladder)trans-148148.9175.500000112.4C122 T125 W421 V422 L462C122-A404 HydrophobicContact CB-CB 3.95Å; T125-A404 HydrophobicContact CG2-CB 4.38Å; A404-W421 CarbonylContact C-O 3.49Å; A404-W421 VanDerWaalsContact CA-O 3.24Å; A404-W421 WeakPolarHBondContact CA-O 3.08Å; A404-V422 HydrophobicContact CB-CG1 3.85Å; A404-L462 HydrophobicContact CB-CB 4.07Å; A404-L462 HydrophobicContact CB-CD2 4.33Å; A404-L462 PolarHBondContact N-O 3.23Å; A404-L462 PolarHBondContact O-N 3.27Å
405V97.9Very high91.7Very high0 Ų030.9 Ų30.90%016%0.157CC..EExtended strand (participates in β ladder)trans-125.2119.4170.5-176.70000107.1F333 L402 T407 W421 I446 L449 A458 L461F333-V405 HydrophobicContact CE2-CG2 4.1Å; F333-V405 HydrophobicContact CZ-CG1 4.42Å; F333-V405 HydrophobicContact CZ-CG2 4.32Å; L402-V405 HydrophobicContact CD1-CG2 4.06Å; L402-V405 HydrophobicContact CD2-CG2 3.54Å; L402-V405 HydrophobicContact CG-CG2 4.01Å; V405-T407 HydrophobicContact CG1-CG2 3.69Å; V405-W421 HydrophobicContact CB-CB 4.19Å; V405-W421 PolarHBondContact N-O 2.94Å; V405-W421 PolarHBondContact O-N 3.27Å; V405-I446 HydrophobicContact CG2-CG2 4.07Å; V405-L449 HydrophobicContact CB-CD1 4.45Å; V405-L449 HydrophobicContact CG1-CD1 4.17Å; V405-A458 HydrophobicContact CG1-CB 3.88Å; V405-L461 HydrophobicContact CB-CD2 4.3Å; V405-L461 HydrophobicContact CG1-CD2 3.84Å; V405-L461 HydrophobicContact CG2-CD2 3.9Å
406L97.9Very high91.3Very high1 Ų132.3 Ų32.31%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-92119.7166.4-164.5161.1000107.2A118 A199 W203 Y418 Y459 V460A118-L406 HydrophobicContact CB-CD1 4.22Å; A118-L406 HydrophobicContact CB-CG 4Å; A199-L406 HydrophobicContact CB-CD1 3.97Å; A199-L406 HydrophobicContact CB-CD2 3.94Å; W203-L406 HydrophobicContact CE3-CD1 4.46Å; L406-Y418 HydrophobicContact CD2-CD1 3.56Å; L406-Y418 HydrophobicContact CD2-CE1 4.23Å; L406-Y418 HydrophobicContact CD2-CG 4.41Å; L406-Y459 HydrophobicContact CD2-CD1 3.98Å; L406-Y459 WeakPolarHBondContact O-CA 3.45Å; L406-Y459 WeakPolarHBondContact O-CB 3.42Å; L406-Y459 PolarHBondContact O-N 3.43Å; L406-V460 HydrophobicContact CB-CB 3.99Å; L406-V460 PolarHBondContact N-O 3.36Å; L406-V460 PolarHBondContact O-N 2.68Å
407T96.6Very high91.3Very high0 Ų033.6 Ų33.60%018%0.177CC..EExtended strand (participates in β ladder)trans-109.1156.218061.60000112V405 Y418 V419 W421 L449 H456 C457V405-T407 HydrophobicContact CG1-CG2 3.69Å; T407-Y418 VanDerWaalsContact O-CA 3.24Å; T407-Y418 WeakPolarHBondContact O-CA 3.29Å; T407-V419 PolarHBondContact N-O 2.87Å; T407-V419 PolarHBondContact O-N 3.25Å; T407-V419 VanDerWaalsContact O-N 3.11Å; T407-V419 PolarHBondContact OG1-O 2.79Å; T407-V419 VanDerWaalsContact OG1-O 3.05Å; T407-W421 VanDerWaalsContact CG2-CD1 3.45Å; T407-W421 VanDerWaalsContact CG2-NE1 3.25Å; T407-W421 PolarHBondContact OG1-NE1 2.8Å; T407-L449 HydrophobicContact CG2-CB 4.03Å; T407-L449 HydrophobicContact CG2-CD1 3.85Å; T407-L449 HydrophobicContact CG2-CD2 4.2Å; T407-L449 HydrophobicContact CG2-CG 4.23Å; T407-H456 HydrophobicContact CG2-CB 4.24Å; T407-H456 PolarHBondContact OG1-ND1 3.04Å; T407-C457 CarbonylContact C-O 3.53Å; T407-C457 WeakPolarHBondContact CA-O 3.39Å; T407-C457 WeakPolarHBondContact CB-O 3.27Å
408H94.3Very high91.4Very high1 Ų133.6 Ų33.61%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-124.7122.4170.4-178.1-103.7000110.7F315 K326 S412 G416 Y418 C457F315-H408 AromaticContact CZ-CE1 3.82Å; F315-H408 AromaticContact CZ-ND1 3.64Å; K326-H408 PolarHBondContact NZ-ND1 3.42Å; K326-H408 PolarHBondContact NZ-O 2.94Å; H408-S412 PolarHBondContact CE1-O 3.44Å; H408-S412 VanDerWaalsContact CE1-O 3.25Å; H408-G416 WeakPolarHBondContact NE2-CA 3.27Å; H408-Y418 HydrophobicContact CB-CD1 3.93Å; H408-Y418 HydrophobicContact CB-CE1 3.78Å; H408-Y418 AromaticContact CD2-CD1 3.73Å; H408-Y418 AromaticContact CD2-CE1 3.41Å; H408-Y418 VanDerWaalsContact CD2-CE1 3.41Å; H408-Y418 WeakPolarHBondContact CD2-CE1 3.38Å; H408-Y418 AromaticContact CD2-CE2 3.86Å; H408-Y418 AromaticContact CD2-CZ 3.48Å; H408-Y418 VanDerWaalsContact CD2-CZ 3.48Å; H408-Y418 AromaticContact CG-CE1 3.86Å; H408-C457 PolarHBondContact N-O 3.29Å; H408-C457 PolarHBondContact O-N 2.94Å
409K92.3Very high91.5Very high85 Ų8533.6 Ų33.637%0.3718%0.176SC..EExtended strand (participates in β ladder)trans-96.5134.9171.9-179.6-176.8177.9-178.80110.1G416 H417K409-G416 CarbonylContact O-C 3.45Å; K409-G416 WeakPolarHBondContact O-CA 3.32Å; K409-H417 HydrophobicContact CB-CB 4.25Å; K409-H417 PolarHBondContact N-O 3.42Å; K409-H417 PolarHBondContact O-N 3.18Å
410G88.8Confident91.5Very high19 Ų1932 Ų3220%0.19617%0.17CC..SBendtrans108.9165.3-17700000113.8K326K326-G410 WeakPolarHBondContact CD-O 3.27Å; K326-G410 PolarHBondContact NZ-O 3.38Å
411R83.5Confident91.5Very high157 Ų15732.4 Ų32.459%0.59217%0.172SC*.SBendtrans-96-27.7-174.1-65.8-169.3177.2-176.53.7114.5K326 L328 D454K326-R411 VanDerWaalsContact CB-O 3.27Å; K326-R411 WeakPolarHBondContact CB-O 3.47Å; L328-R411 HydrophobicContact CD1-CG 4.3Å; R411-D454 WeakPolarHBondContact CG-OD1 3.26Å; R411-D454 IonicContact CZ-OD1 2.71Å; R411-D454 IonicContact CZ-OD2 2.96Å; R411-D454 IonicContact NE-OD1 3.94Å; R411-D454 PolarHBondContact NE-OD1 3.48Å; R411-D454 IonicContact NE-OD2 3.41Å; R411-D454 PolarHBondContact NE-OD2 3.42Å; R411-D454 IonicContact NH2-OD1 2.82Å; R411-D454 PolarHBondContact NH2-OD1 3.24Å; R411-D454 IonicContact NH2-OD2 3.51Å; R411-D454 PolarHBondContact NH2-OD2 3.33Å
412S80.4Confident91.5Very high56 Ų5632.1 Ų32.139%0.39217%0.17SC..  trans-85.6154.8-174.4-540000110.9H408H408-S412 PolarHBondContact CE1-O 3.44Å; H408-S412 VanDerWaalsContact CE1-O 3.25Å
413S75.1Confident91.2Very high27 Ų2736 Ų3619%0.18919%0.185CC..SBendtrans-73.6-33.917153.70000112.2N324N324-S413 PolarHBondContact ND2-OG 2.94Å
414N76.1Confident90.7Very high90 Ų9034.9 Ų34.948%0.48118%0.184SC..SBendtrans-98.6-5.3-171.5-54.44.1000112.7
415L82.3Confident89.7Confident115 Ų11542.5 Ų42.560%0.60222%0.216SC*.SBendtrans-140.8122.7-177.8-64.4169.9000109
416G87.8Confident88.5Confident30 Ų3048.4 Ų48.431%0.30924%0.239SC..  trans169.7-161.6173.300000111.4Q196 H408 K409Q196-G416 PolarHBondContact NE2-O 3.37Å; Q196-G416 PolarHBondContact OE1-O 3.07Å; H408-G416 WeakPolarHBondContact NE2-CA 3.27Å; K409-G416 CarbonylContact O-C 3.45Å; K409-G416 WeakPolarHBondContact O-CA 3.32Å
417H94Very high87.3Confident43 Ų4354.2 Ų54.220%0.19927%0.266CS..EExtended strand (participates in β ladder)trans-136.2117.9-178.7-16749.9000111.3C114 K409 V419 D434 D435C114-H417 PolarHBondContact SG-ND1 2.87Å; K409-H417 HydrophobicContact CB-CB 4.25Å; K409-H417 PolarHBondContact N-O 3.42Å; K409-H417 PolarHBondContact O-N 3.18Å; H417-V419 VanDerWaalsContact CD2-CG2 3.43Å; H417-V419 WeakPolarHBondContact CD2-CG2 3.48Å; H417-V419 WeakPolarHBondContact NE2-CG2 3.48Å; H417-D434 IonicContact CD2-OD1 3.15Å; H417-D434 IonicContact CE1-OD1 2.83Å; H417-D434 IonicContact NE2-OD1 3.47Å; H417-D434 PolarHBondContact NE2-OD1 3.15Å; H417-D435 IonicContact CE1-OD2 2.83Å; H417-D435 PolarHBondContact CE1-OD2 2.9Å
418Y96.8Very high86.2Confident2 Ų263 Ų631%0.00830%0.299CS..EExtended strand (participates in β ladder)trans-88.1134.7174.4-65.3-78.4000110.2C114 Y115 Q196 Q197 A199 L406 T407 H408 Y459C114-Y418 PolarHBondContact SG-N 2.91Å; C114-Y418 VanDerWaalsContact SG-N 3.4Å; Y115-Y418 VanDerWaalsContact CB-CD2 3.48Å; Q196-Y418 HydrophobicContact CG-CD2 4.47Å; Q196-Y418 HydrophobicContact CG-CE2 4.1Å; Q196-Y418 VanDerWaalsContact NE2-CE2 3.32Å; Q197-Y418 WeakPolarHBondContact O-CE2 3.35Å; A199-Y418 HydrophobicContact CB-CD1 3.78Å; A199-Y418 HydrophobicContact CB-CD2 4.39Å; A199-Y418 HydrophobicContact CB-CE1 3.66Å; A199-Y418 HydrophobicContact CB-CE2 4.31Å; A199-Y418 HydrophobicContact CB-CG 4.13Å; L406-Y418 HydrophobicContact CD2-CD1 3.56Å; L406-Y418 HydrophobicContact CD2-CE1 4.23Å; L406-Y418 HydrophobicContact CD2-CG 4.41Å; T407-Y418 VanDerWaalsContact O-CA 3.24Å; T407-Y418 WeakPolarHBondContact O-CA 3.29Å; H408-Y418 HydrophobicContact CB-CD1 3.93Å; H408-Y418 HydrophobicContact CB-CE1 3.78Å; H408-Y418 AromaticContact CD2-CD1 3.73Å; H408-Y418 AromaticContact CD2-CE1 3.41Å; H408-Y418 VanDerWaalsContact CD2-CE1 3.41Å; H408-Y418 WeakPolarHBondContact CD2-CE1 3.38Å; H408-Y418 AromaticContact CD2-CE2 3.86Å; H408-Y418 AromaticContact CD2-CZ 3.48Å; H408-Y418 VanDerWaalsContact CD2-CZ 3.48Å; H408-Y418 AromaticContact CG-CE1 3.86Å; Y418-Y459 HydrophobicContact CD1-CD1 4.45Å; Y418-Y459 AromaticContact CE1-CD1 3.78Å; Y418-Y459 HydrophobicContact CE1-CD1 3.78Å; Y418-Y459 HydrophobicContact CE1-CE1 4.01Å
419V97.2Very high85.8Confident0 Ų064.2 Ų64.20%031%0.305CS..EExtended strand (participates in β ladder)trans-137.9134.4178.1172.60000108.6T407 H417 W421 K432 C433 D434 H456T407-V419 PolarHBondContact N-O 2.87Å; T407-V419 PolarHBondContact O-N 3.25Å; T407-V419 VanDerWaalsContact O-N 3.11Å; T407-V419 PolarHBondContact OG1-O 2.79Å; T407-V419 VanDerWaalsContact OG1-O 3.05Å; H417-V419 VanDerWaalsContact CD2-CG2 3.43Å; H417-V419 WeakPolarHBondContact CD2-CG2 3.48Å; H417-V419 WeakPolarHBondContact NE2-CG2 3.48Å; V419-W421 HydrophobicContact CG1-CD2 4.43Å; V419-W421 HydrophobicContact CG1-CZ2 4.11Å; V419-K432 HydrophobicContact CG1-CG 3.8Å; V419-C433 WeakPolarHBondContact CG1-O 3.47Å; V419-D434 HydrophobicContact CG1-CB 4.49Å; V419-D434 HydrophobicContact CG2-CB 4.46Å; V419-H456 VanDerWaalsContact CG2-CE1 3.45Å; V419-H456 WeakPolarHBondContact CG2-CE1 3.45Å
420A97.7Very high85.8Confident0 Ų060.1 Ų60.10%029%0.287CS..EExtended strand (participates in β ladder)trans-91136.2173.100000110.4A118 Q121 C122 V422 C433A118-A420 HydrophobicContact CB-CB 4.14Å; Q121-A420 HydrophobicContact CB-CB 3.67Å; C122-A420 VanDerWaalsContact SG-CB 3.52Å; A420-V422 HydrophobicContact CB-CG1 4.35Å; A420-C433 HydrophobicContact CB-CB 4.18Å; A420-C433 PolarHBondContact N-O 3.25Å; A420-C433 WeakPolarHBondContact O-CA 3.47Å; A420-C433 PolarHBondContact O-N 2.79Å
421W97.3Very high86Confident9 Ų959.3 Ų59.33%0.03428%0.278CS..EExtended strand (participates in β ladder)trans-123.8109.1175.3-50.173.2000107.2A404 V405 T407 V419 L431 K432 V441 I446 L449 H456A404-W421 CarbonylContact C-O 3.49Å; A404-W421 VanDerWaalsContact CA-O 3.24Å; A404-W421 WeakPolarHBondContact CA-O 3.08Å; V405-W421 HydrophobicContact CB-CB 4.19Å; V405-W421 PolarHBondContact N-O 2.94Å; V405-W421 PolarHBondContact O-N 3.27Å; T407-W421 VanDerWaalsContact CG2-CD1 3.45Å; T407-W421 VanDerWaalsContact CG2-NE1 3.25Å; T407-W421 PolarHBondContact OG1-NE1 2.8Å; V419-W421 HydrophobicContact CG1-CD2 4.43Å; V419-W421 HydrophobicContact CG1-CZ2 4.11Å; W421-L431 CarbonylContact C-O 3.57Å; W421-L431 VanDerWaalsContact CA-O 3.29Å; W421-L431 WeakPolarHBondContact CA-O 3.37Å; W421-K432 HydrophobicContact CD2-CB 4.33Å; W421-K432 HydrophobicContact CD2-CG 4.09Å; W421-K432 HydrophobicContact CE3-CB 3.68Å; W421-K432 HydrophobicContact CE3-CD 4.46Å; W421-K432 HydrophobicContact CE3-CG 3.78Å; W421-K432 HydrophobicContact CH2-CB 4.32Å; W421-K432 HydrophobicContact CH2-CD 3.55Å; W421-K432 HydrophobicContact CH2-CG 3.71Å; W421-K432 HydrophobicContact CZ2-CD 4.09Å; W421-K432 HydrophobicContact CZ2-CG 4.01Å; W421-K432 HydrophobicContact CZ3-CB 3.69Å; W421-K432 HydrophobicContact CZ3-CD 3.77Å; W421-K432 HydrophobicContact CZ3-CG 3.6Å; W421-V441 HydrophobicContact CE3-CG2 4.04Å; W421-V441 HydrophobicContact CZ3-CG1 4.16Å; W421-V441 HydrophobicContact CZ3-CG2 4.25Å; W421-I446 HydrophobicContact CB-CD1 3.75Å; W421-I446 HydrophobicContact CD2-CD1 4.3Å; W421-I446 HydrophobicContact CE3-CD1 3.79Å; W421-I446 HydrophobicContact CG-CD1 4.32Å; W421-L449 HydrophobicContact CB-CD1 4.18Å; W421-L449 HydrophobicContact CD2-CD1 3.56Å; W421-L449 HydrophobicContact CD2-CD2 4.32Å; W421-L449 HydrophobicContact CE3-CD1 4.07Å; W421-L449 HydrophobicContact CG-CD1 3.58Å; W421-L449 HydrophobicContact CH2-CD2 4.05Å; W421-L449 HydrophobicContact CZ2-CD1 4.44Å; W421-L449 HydrophobicContact CZ2-CD2 3.67Å; W421-H456 HydrophobicContact CZ2-CB 4.46Å
422V95.5Very high86.6Confident0 Ų054 Ų540%026%0.259CS..EExtended strand (participates in β ladder)trans-122.2143.9-166.3-62.90000110.3L104 T125 Q403 A404 A420 G424 L431L104-V422 HydrophobicContact CD1-CB 4.42Å; L104-V422 HydrophobicContact CD1-CG2 3.4Å; L104-V422 VanDerWaalsContact CD1-CG2 3.4Å; T125-V422 HydrophobicContact CG2-CB 3.71Å; T125-V422 HydrophobicContact CG2-CG1 3.63Å; Q403-V422 CarbonylContact O-C 3.38Å; Q403-V422 WeakPolarHBondContact O-CA 3.48Å; A404-V422 HydrophobicContact CB-CG1 3.85Å; A420-V422 HydrophobicContact CB-CG1 4.35Å; V422-G424 PolarHBondContact O-N 2.9Å; V422-L431 HydrophobicContact CG2-CB 3.85Å; V422-L431 HydrophobicContact CG2-CD1 4.46Å; V422-L431 PolarHBondContact N-O 2.96Å; V422-L431 PolarHBondContact O-N 3.18Å
423R92.1Very high87.2Confident82 Ų8251.4 Ų51.431%0.30924%0.241SC..EExtended strand (participates in β ladder)trans-71.8127.8175.9-158.3173.6-170.1-163.85.1108.8Q403 W430Q403-R423 PolarHBondContact O-N 3.08Å; R423-W430 HydrophobicContact CB-CD2 4.43Å; R423-W430 HydrophobicContact CB-CE3 4.25Å; R423-W430 HydrophobicContact CB-CH2 4.15Å; R423-W430 HydrophobicContact CB-CZ2 4.36Å; R423-W430 HydrophobicContact CB-CZ3 4.11Å; R423-W430 HydrophobicContact CG-CD2 4.44Å; R423-W430 HydrophobicContact CG-CZ2 4.27Å
424G84.4Confident88.2Confident15 Ų1551.9 Ų51.916%0.15524%0.241CC..  trans-70.3172.5177.500000112.1V422 R426 Q429V422-G424 PolarHBondContact O-N 2.9Å; G424-R426 VanDerWaalsContact C-N 3.27Å; G424-R426 PolarHBondContact O-N 3.16Å; G424-Q429 PolarHBondContact N-O 2.9Å
425K76.7Confident89.1Confident161 Ų16148 Ų4870%0.722%0.22SC*.SBendtrans-70.2-26.5175.8-60-174.7-161.8161.10112.7D102D102-K425 HydrophobicContact CB-CD 4.1Å; D102-K425 IonicContact OD1-NZ 2.75Å; D102-K425 PolarHBondContact OD1-NZ 3.06Å
426R72.7Confident89.6Confident123 Ų12346.2 Ų46.246%0.46421%0.209SC..SBendtrans-81143.2177-60.5-178.7-175.7179.62.8109.6A100 G424 R428 Q429A100-R426 PolarHBondContact O-NH2 3.03Å; G424-R426 VanDerWaalsContact C-N 3.27Å; G424-R426 PolarHBondContact O-N 3.16Å; R426-R428 PolarHBondContact O-N 3.19Å; R426-Q429 HydrophobicContact CB-CB 3.95Å; R426-Q429 WeakPolarHBondContact O-CB 3.31Å; R426-Q429 PolarHBondContact O-N 3.39Å
427E71.2Confident89.8Confident124 Ų12448.5 Ų48.558%0.57922%0.217SC*.THydrogen-bonded Turntrans-55.8135177.9-153.9-170.5167.700110.6Q429E427-Q429 PolarHBondContact O-N 3.45Å
428R74.4Confident89.6Confident185 Ų18547.7 Ų47.770%0.69822%0.215SC*.THydrogen-bonded Turntrans58.17.3-179-54.8-174.4178.8-155.5-2.8116.5R426R426-R428 PolarHBondContact O-N 3.19Å
429Q84.7Confident89.4Confident25 Ų2549.7 Ų49.712%0.11723%0.229CC..  trans-82.2131.2173.1-171.7-177.439.200109.9G424 R426 E427 L431 V440G424-Q429 PolarHBondContact N-O 2.9Å; R426-Q429 HydrophobicContact CB-CB 3.95Å; R426-Q429 WeakPolarHBondContact O-CB 3.31Å; R426-Q429 PolarHBondContact O-N 3.39Å; E427-Q429 PolarHBondContact O-N 3.45Å; Q429-L431 HydrophobicContact CG-CD2 4.27Å; Q429-V440 HydrophobicContact CG-CG1 3.93Å
430W93.4Very high89Confident0 Ų053.2 Ų53.20%025%0.25CS..EExtended strand (participates in β ladder)trans-115.2147.7170.2-73.990.2000110.5I335 L402 R423 V440 V441 I446I335-W430 HydrophobicContact CD1-CZ2 4.08Å; L402-W430 HydrophobicContact CB-CH2 3.96Å; L402-W430 HydrophobicContact CB-CZ2 4.37Å; L402-W430 HydrophobicContact CD2-CH2 3.82Å; L402-W430 HydrophobicContact CD2-CZ2 4.36Å; L402-W430 HydrophobicContact CG-CH2 3.74Å; L402-W430 WeakPolarHBondContact O-CH2 3.38Å; R423-W430 HydrophobicContact CB-CD2 4.43Å; R423-W430 HydrophobicContact CB-CE3 4.25Å; R423-W430 HydrophobicContact CB-CH2 4.15Å; R423-W430 HydrophobicContact CB-CZ2 4.36Å; R423-W430 HydrophobicContact CB-CZ3 4.11Å; R423-W430 HydrophobicContact CG-CD2 4.44Å; R423-W430 HydrophobicContact CG-CZ2 4.27Å; W430-V440 WeakPolarHBondContact O-CA 3.36Å; W430-V441 HydrophobicContact CB-CG2 3.67Å; W430-V441 WeakPolarHBondContact CB-O 3.29Å; W430-V441 PolarHBondContact N-O 3.27Å; W430-V441 PolarHBondContact O-N 2.85Å; W430-I446 HydrophobicContact CB-CD1 4.08Å; W430-I446 HydrophobicContact CB-CG1 4Å; W430-I446 HydrophobicContact CD2-CD1 3.95Å; W430-I446 HydrophobicContact CD2-CG1 3.53Å; W430-I446 HydrophobicContact CE3-CD1 3.72Å; W430-I446 HydrophobicContact CE3-CG1 3.77Å; W430-I446 HydrophobicContact CE3-CG2 4.5Å; W430-I446 HydrophobicContact CG-CD1 4.12Å; W430-I446 HydrophobicContact CG-CG1 3.63Å; W430-I446 HydrophobicContact CH2-CG2 4.36Å; W430-I446 HydrophobicContact CZ2-CG2 4.48Å; W430-I446 HydrophobicContact CZ3-CD1 4.44Å; W430-I446 HydrophobicContact CZ3-CG1 4.44Å; W430-I446 HydrophobicContact CZ3-CG2 4.36Å
431L93.1Very high88.7Confident2 Ų253.8 Ų53.81%0.0125%0.254CS..EExtended strand (participates in β ladder)trans-120.2127.5178.9-54.2-177.5000109.1L103 L104 W421 V422 Q429 V438 S439 V440L103-L431 HydrophobicContact CD2-CD1 4.22Å; L103-L431 HydrophobicContact CD2-CD2 3.43Å; L103-L431 VanDerWaalsContact CD2-CD2 3.43Å; L103-L431 HydrophobicContact CD2-CG 4.47Å; L104-L431 HydrophobicContact CD1-CD1 4.34Å; L104-L431 HydrophobicContact CG-CD1 4.44Å; W421-L431 CarbonylContact C-O 3.57Å; W421-L431 VanDerWaalsContact CA-O 3.29Å; W421-L431 WeakPolarHBondContact CA-O 3.37Å; V422-L431 HydrophobicContact CG2-CB 3.85Å; V422-L431 HydrophobicContact CG2-CD1 4.46Å; V422-L431 PolarHBondContact N-O 2.96Å; V422-L431 PolarHBondContact O-N 3.18Å; Q429-L431 HydrophobicContact CG-CD2 4.27Å; L431-V438 HydrophobicContact CB-CG1 4.35Å; L431-V438 HydrophobicContact CD1-CG1 4.47Å; L431-S439 CarbonylContact C-O 3.45Å; L431-S439 VanDerWaalsContact CA-O 3.3Å; L431-S439 WeakPolarHBondContact CA-O 3.35Å; L431-V440 HydrophobicContact CD2-CG2 3.89Å
432K95Very high88.5Confident46 Ų4656.6 Ų56.620%0.227%0.272CS..EExtended strand (participates in β ladder)trans-91113.6165.9-179.6-164.4176.7-146.10108.2V419 W421 D434 V438 S439 V441V419-K432 HydrophobicContact CG1-CG 3.8Å; W421-K432 HydrophobicContact CD2-CB 4.33Å; W421-K432 HydrophobicContact CD2-CG 4.09Å; W421-K432 HydrophobicContact CE3-CB 3.68Å; W421-K432 HydrophobicContact CE3-CD 4.46Å; W421-K432 HydrophobicContact CE3-CG 3.78Å; W421-K432 HydrophobicContact CH2-CB 4.32Å; W421-K432 HydrophobicContact CH2-CD 3.55Å; W421-K432 HydrophobicContact CH2-CG 3.71Å; W421-K432 HydrophobicContact CZ2-CD 4.09Å; W421-K432 HydrophobicContact CZ2-CG 4.01Å; W421-K432 HydrophobicContact CZ3-CB 3.69Å; W421-K432 HydrophobicContact CZ3-CD 3.77Å; W421-K432 HydrophobicContact CZ3-CG 3.6Å; K432-D434 WeakPolarHBondContact CE-OD2 3.19Å; K432-D434 IonicContact NZ-OD2 3.59Å; K432-D434 PolarHBondContact NZ-OD2 3.36Å; K432-V438 WeakPolarHBondContact O-CA 3.23Å; K432-S439 PolarHBondContact N-O 3.36Å; K432-S439 PolarHBondContact O-N 2.89Å; K432-S439 PolarHBondContact O-OG 3.3Å; K432-V441 HydrophobicContact CB-CG1 3.69Å; K432-V441 HydrophobicContact CB-CG2 4.29Å
433C94.5Very high88.3Confident0 Ų059.2 Ų59.20%028%0.284CS..EExtended strand (participates in β ladder)trans-100.993.4175.8-58.80000109.4Q121 V419 A420 D435 V438Q121-C433 HydrophobicContact CB-CB 4.3Å; Q121-C433 VanDerWaalsContact CD-CB 3.4Å; Q121-C433 HydrophobicContact CG-CB 4.2Å; Q121-C433 PolarHBondContact OE1-O 3Å; V419-C433 WeakPolarHBondContact CG1-O 3.47Å; A420-C433 HydrophobicContact CB-CB 4.18Å; A420-C433 PolarHBondContact N-O 3.25Å; A420-C433 WeakPolarHBondContact O-CA 3.47Å; A420-C433 PolarHBondContact O-N 2.79Å; C433-D435 PolarHBondContact O-N 2.89Å; C433-V438 HydrophobicContact CB-CG2 4.39Å
434D95.3Very high88.2Confident37 Ų3761.1 Ų61.120%0.19830%0.297CS..EExtended strand (participates in β ladder)trans-97.781.5178.2-163.3-21.1000108.5H417 V419 K432 H436 V437H417-D434 IonicContact CD2-OD1 3.15Å; H417-D434 IonicContact CE1-OD1 2.83Å; H417-D434 IonicContact NE2-OD1 3.47Å; H417-D434 PolarHBondContact NE2-OD1 3.15Å; V419-D434 HydrophobicContact CG1-CB 4.49Å; V419-D434 HydrophobicContact CG2-CB 4.46Å; K432-D434 WeakPolarHBondContact CE-OD2 3.19Å; K432-D434 IonicContact NZ-OD2 3.59Å; K432-D434 PolarHBondContact NZ-OD2 3.36Å; D434-H436 PolarHBondContact O-N 2.93Å; D434-V437 HydrophobicContact CB-CB 4.48Å; D434-V437 PolarHBondContact N-O 3.26Å; D434-V437 PolarHBondContact O-N 3.46Å
435D95.4Very high88.6Confident8 Ų863.9 Ų63.94%0.04331%0.305CS..THydrogen-bonded Turntrans54-107.5-170-68.5-52000111.5G106 I107 N109 C114 S117 Q121 H417 C433G106-D435 CarbonylContact C-O 3.6Å; G106-D435 WeakPolarHBondContact CA-O 3.31Å; I107-D435 PolarHBondContact N-O 3.34Å; I107-D435 CarbonylContact O-C 3.29Å; I107-D435 VanDerWaalsContact O-CA 3.25Å; I107-D435 WeakPolarHBondContact O-CA 3.43Å; I107-D435 VanDerWaalsContact O-CB 3.29Å; I107-D435 WeakPolarHBondContact O-CB 3.34Å; N109-D435 HydrophobicContact CB-CB 4.03Å; N109-D435 WeakPolarHBondContact CB-OD2 3.34Å; N109-D435 PolarHBondContact ND2-OD2 2.94Å; C114-D435 WeakPolarHBondContact CA-OD1 3.42Å; C114-D435 WeakPolarHBondContact CB-OD1 3.48Å; S117-D435 WeakPolarHBondContact CB-OD1 3.45Å; S117-D435 PolarHBondContact OG-OD1 3.23Å; Q121-D435 PolarHBondContact NE2-O 3.34Å; H417-D435 IonicContact CE1-OD2 2.83Å; H417-D435 PolarHBondContact CE1-OD2 2.9Å; C433-D435 PolarHBondContact O-N 2.89Å
436H92.9Very high89.4Confident79 Ų7956.2 Ų56.237%0.36627%0.272SS..THydrogen-bonded Turntrans-86.1-17.1-178.360.3-69.2000112.8I107 F168 D434I107-H436 PolarHBondContact O-N 3.19Å; F168-H436 HydrophobicContact CB-CB 3.7Å; F168-H436 HydrophobicContact CD1-CB 4.29Å; F168-H436 HydrophobicContact CG-CB 4.04Å; D434-H436 PolarHBondContact O-N 2.93Å
437V91.5Very high90.4Very high78 Ų7854 Ų5447%0.47327%0.269SS..EExtended strand (participates in β ladder)trans-93.4109.4-178.2-177.60000108.8D434D434-V437 HydrophobicContact CB-CB 4.48Å; D434-V437 PolarHBondContact N-O 3.26Å; D434-V437 PolarHBondContact O-N 3.46Å
438V91.1Very high91.4Very high26 Ų2656.7 Ų56.716%0.15827%0.274CS..EExtended strand (participates in β ladder)trans-106.4122.8175.9-176.60000109.4L103 L104 L431 K432 C433L103-V438 HydrophobicContact CB-CG1 4.28Å; L104-V438 WeakPolarHBondContact O-CG2 3.38Å; L431-V438 HydrophobicContact CB-CG1 4.35Å; L431-V438 HydrophobicContact CD1-CG1 4.47Å; K432-V438 WeakPolarHBondContact O-CA 3.23Å; C433-V438 HydrophobicContact CB-CG2 4.39Å
439S90.6Very high92.2Very high44 Ų4448 Ų4831%0.30824%0.241SC..EExtended strand (participates in β ladder)trans-130.2150.4-177.1550000111L431 K432L431-S439 CarbonylContact C-O 3.45Å; L431-S439 VanDerWaalsContact CA-O 3.3Å; L431-S439 WeakPolarHBondContact CA-O 3.35Å; K432-S439 PolarHBondContact N-O 3.36Å; K432-S439 PolarHBondContact O-N 2.89Å; K432-S439 PolarHBondContact O-OG 3.3Å
440V90.3Very high92.5Very high74 Ų7446.8 Ų46.845%0.44824%0.236SC..EExtended strand (participates in β ladder)trans-83.5134.3175.8-178.50000108.7L103 Q429 W430 L431L103-V440 HydrophobicContact CD2-CG2 3.85Å; Q429-V440 HydrophobicContact CG-CG1 3.93Å; W430-V440 WeakPolarHBondContact O-CA 3.36Å; L431-V440 HydrophobicContact CD2-CG2 3.89Å
441V91.6Very high92.2Very high12 Ų1247.7 Ų47.77%0.07325%0.245CC..EExtended strand (participates in β ladder)trans-131.6164.1178.9-62.90000110.6W421 W430 K432 E445 I446W421-V441 HydrophobicContact CE3-CG2 4.04Å; W421-V441 HydrophobicContact CZ3-CG1 4.16Å; W421-V441 HydrophobicContact CZ3-CG2 4.25Å; W430-V441 HydrophobicContact CB-CG2 3.67Å; W430-V441 WeakPolarHBondContact CB-O 3.29Å; W430-V441 PolarHBondContact N-O 3.27Å; W430-V441 PolarHBondContact O-N 2.85Å; K432-V441 HydrophobicContact CB-CG1 3.69Å; K432-V441 HydrophobicContact CB-CG2 4.29Å; V441-E445 HydrophobicContact CB-CB 4.48Å; V441-I446 HydrophobicContact CG2-CD1 4.09Å
442T91.6Very high91.7Very high67 Ų6750.3 Ų50.341%0.41127%0.273SS..  trans-88.9160.7-179.559.70000112E444 E445 I446T442-E444 VanDerWaalsContact C-N 3.25Å; T442-E444 WeakPolarHBondContact CB-OE2 3.41Å; T442-E444 PolarHBondContact O-N 2.83Å; T442-E445 PolarHBondContact N-OE1 3.23Å; T442-E445 PolarHBondContact O-N 2.98Å; T442-E445 WeakPolarHBondContact OG1-CG 3.33Å; T442-E445 PolarHBondContact OG1-N 3.29Å; T442-E445 PolarHBondContact OG1-OE1 3.36Å; T442-I446 PolarHBondContact O-N 2.92Å
443E91.7Very high91Very high56 Ų5649.5 Ų49.526%0.26228%0.277SS..Hα-helixtrans-65.9-31.5176.3-172.2166.7117.500111.7I335 E445 I446 L447I335-E443 HydrophobicContact CD1-CG 3.88Å; I335-E443 HydrophobicContact CG1-CG 3.82Å; E443-E445 VanDerWaalsContact C-N 3.28Å; E443-E445 PolarHBondContact O-N 3.03Å; E443-I446 WeakPolarHBondContact O-CB 3.48Å; E443-I446 PolarHBondContact O-N 2.89Å; E443-I446 VanDerWaalsContact O-N 3.08Å; E443-L447 PolarHBondContact O-N 3.12Å; E443-L447 VanDerWaalsContact O-N 3.09Å
444E91.1Very high90.2Very high121 Ų12153.1 Ų53.157%0.56530%0.296SS*.Hα-helixtrans-61.9-36175.1-6674.3-164.900112T442 I446 L447 R448T442-E444 VanDerWaalsContact C-N 3.25Å; T442-E444 WeakPolarHBondContact CB-OE2 3.41Å; T442-E444 PolarHBondContact O-N 2.83Å; E444-I446 VanDerWaalsContact C-N 3.33Å; E444-L447 PolarHBondContact O-N 3.3Å; E444-R448 WeakPolarHBondContact O-CG 3.33Å; E444-R448 PolarHBondContact O-N 3.37Å
445E91.6Very high89.8Confident73 Ų7358.6 Ų58.634%0.34131%0.314SS..Hα-helixtrans-67-35.4174.2-73.3170.2-88.600111.9V441 T442 E443 R448 L449V441-E445 HydrophobicContact CB-CB 4.48Å; T442-E445 PolarHBondContact N-OE1 3.23Å; T442-E445 PolarHBondContact O-N 2.98Å; T442-E445 WeakPolarHBondContact OG1-CG 3.33Å; T442-E445 PolarHBondContact OG1-N 3.29Å; T442-E445 PolarHBondContact OG1-OE1 3.36Å; E443-E445 VanDerWaalsContact C-N 3.28Å; E443-E445 PolarHBondContact O-N 3.03Å; E445-R448 WeakPolarHBondContact O-CB 3.39Å; E445-R448 PolarHBondContact O-N 2.98Å; E445-L449 WeakPolarHBondContact O-CG 3.27Å
446I93.8Very high89.5Confident0 Ų058.5 Ų58.50%031%0.314CS..Hα-helixtrans-64.6-43.5176-55.2-58.3000110.9F333 I335 L402 V405 W421 W430 V441 T442 E443 E444 R448 L449F333-I446 HydrophobicContact CE2-CG2 4.19Å; F333-I446 WeakPolarHBondContact CZ-O 3.43Å; I335-I446 HydrophobicContact CD1-CG2 4.1Å; L402-I446 HydrophobicContact CD2-CG2 3.96Å; V405-I446 HydrophobicContact CG2-CG2 4.07Å; W421-I446 HydrophobicContact CB-CD1 3.75Å; W421-I446 HydrophobicContact CD2-CD1 4.3Å; W421-I446 HydrophobicContact CE3-CD1 3.79Å; W421-I446 HydrophobicContact CG-CD1 4.32Å; W430-I446 HydrophobicContact CB-CD1 4.08Å; W430-I446 HydrophobicContact CB-CG1 4Å; W430-I446 HydrophobicContact CD2-CD1 3.95Å; W430-I446 HydrophobicContact CD2-CG1 3.53Å; W430-I446 HydrophobicContact CE3-CD1 3.72Å; W430-I446 HydrophobicContact CE3-CG1 3.77Å; W430-I446 HydrophobicContact CE3-CG2 4.5Å; W430-I446 HydrophobicContact CG-CD1 4.12Å; W430-I446 HydrophobicContact CG-CG1 3.63Å; W430-I446 HydrophobicContact CH2-CG2 4.36Å; W430-I446 HydrophobicContact CZ2-CG2 4.48Å; W430-I446 HydrophobicContact CZ3-CD1 4.44Å; W430-I446 HydrophobicContact CZ3-CG1 4.44Å; W430-I446 HydrophobicContact CZ3-CG2 4.36Å; V441-I446 HydrophobicContact CG2-CD1 4.09Å; T442-I446 PolarHBondContact O-N 2.92Å; E443-I446 WeakPolarHBondContact O-CB 3.48Å; E443-I446 PolarHBondContact O-N 2.89Å; E443-I446 VanDerWaalsContact O-N 3.08Å; E444-I446 VanDerWaalsContact C-N 3.33Å; I446-R448 PolarHBondContact O-N 2.91Å; I446-L449 HydrophobicContact CD1-CD1 4.14Å; I446-L449 HydrophobicContact CG2-CD1 4.39Å; I446-L449 VanDerWaalsContact O-CB 3.3Å; I446-L449 WeakPolarHBondContact O-CB 3.49Å; I446-L449 VanDerWaalsContact O-CG 3.27Å; I446-L449 WeakPolarHBondContact O-CG 3.17Å; I446-L449 PolarHBondContact O-N 2.85Å
447L92.9Very high89.5Confident76 Ų7654.7 Ų54.740%0.39830%0.296SS..Hα-helixtrans-65.3-21.4177.9-68.8174.5000113.3I335 E443 E444 L449 S450I335-L447 HydrophobicContact CD1-CD2 4.07Å; I335-L447 HydrophobicContact CD1-CG 4.41Å; I335-L447 HydrophobicContact CG1-CD2 3.97Å; I335-L447 HydrophobicContact CG1-CG 4.41Å; E443-L447 PolarHBondContact O-N 3.12Å; E443-L447 VanDerWaalsContact O-N 3.09Å; E444-L447 PolarHBondContact O-N 3.3Å; L447-L449 VanDerWaalsContact C-N 3.28Å; L447-S450 PolarHBondContact O-OG 3.25Å
448R92.3Very high89.6Confident181 Ų18151 Ų5168%0.68327%0.274SS*.G310 helixtrans-77.4-10.1173.7-69.5173.1-174.9-1762.1113.6E444 E445 I446 S450E444-R448 WeakPolarHBondContact O-CG 3.33Å; E444-R448 PolarHBondContact O-N 3.37Å; E445-R448 WeakPolarHBondContact O-CB 3.39Å; E445-R448 PolarHBondContact O-N 2.98Å; I446-R448 PolarHBondContact O-N 2.91Å; R448-S450 PolarHBondContact O-N 3.27Å
449L92.9Very high89.8Confident2 Ų250 Ų501%0.0127%0.267CS..G310 helixtrans-78.64.1179.3-50171.1000112.7F333 V405 T407 W421 E445 I446 L447 G451 H456 C457 A458F333-L449 HydrophobicContact CE1-CB 4.42Å; F333-L449 HydrophobicContact CZ-CB 4.12Å; V405-L449 HydrophobicContact CB-CD1 4.45Å; V405-L449 HydrophobicContact CG1-CD1 4.17Å; T407-L449 HydrophobicContact CG2-CB 4.03Å; T407-L449 HydrophobicContact CG2-CD1 3.85Å; T407-L449 HydrophobicContact CG2-CD2 4.2Å; T407-L449 HydrophobicContact CG2-CG 4.23Å; W421-L449 HydrophobicContact CB-CD1 4.18Å; W421-L449 HydrophobicContact CD2-CD1 3.56Å; W421-L449 HydrophobicContact CD2-CD2 4.32Å; W421-L449 HydrophobicContact CE3-CD1 4.07Å; W421-L449 HydrophobicContact CG-CD1 3.58Å; W421-L449 HydrophobicContact CH2-CD2 4.05Å; W421-L449 HydrophobicContact CZ2-CD1 4.44Å; W421-L449 HydrophobicContact CZ2-CD2 3.67Å; E445-L449 WeakPolarHBondContact O-CG 3.27Å; I446-L449 HydrophobicContact CD1-CD1 4.14Å; I446-L449 HydrophobicContact CG2-CD1 4.39Å; I446-L449 VanDerWaalsContact O-CB 3.3Å; I446-L449 WeakPolarHBondContact O-CB 3.49Å; I446-L449 VanDerWaalsContact O-CG 3.27Å; I446-L449 WeakPolarHBondContact O-CG 3.17Å; I446-L449 PolarHBondContact O-N 2.85Å; L447-L449 VanDerWaalsContact C-N 3.28Å; L449-G451 PolarHBondContact O-N 3.28Å; L449-H456 HydrophobicContact CD2-CB 3.79Å; L449-C457 CarbonylContact O-C 3.51Å; L449-A458 WeakPolarHBondContact O-CB 3.49Å; L449-A458 PolarHBondContact O-N 3.35Å
450S90.7Very high90.2Very high1 Ų148 Ų481%0.00725%0.253CS..G310 helixtrans-63.8-19.2-178.357.70000114.4R314 D330 V331 K332 L447 R448R314-S450 PolarHBondContact NH2-O 3.08Å; D330-S450 WeakPolarHBondContact OD1-CB 3.38Å; D330-S450 PolarHBondContact OD1-OG 3.14Å; V331-S450 PolarHBondContact N-O 2.89Å; V331-S450 VanDerWaalsContact N-O 3.08Å; V331-S450 VanDerWaalsContact O-CB 3.27Å; V331-S450 WeakPolarHBondContact O-CB 3.42Å; K332-S450 WeakPolarHBondContact CD-OG 3.22Å; K332-S450 PolarHBondContact NZ-OG 2.78Å; L447-S450 PolarHBondContact O-OG 3.25Å; R448-S450 PolarHBondContact O-N 3.27Å
451G85.7Confident90.6Very high18 Ų1844.4 Ų44.419%0.18623%0.231CC..  trans118.3-154.4176.700000112.1L449L449-G451 PolarHBondContact O-N 3.28Å
452G82.4Confident90.9Very high58 Ų5843.9 Ų43.960%0.59823%0.228SC*.SBendtrans100.37.7178.800000115.5L328L328-G452 VanDerWaalsContact O-CA 3.25Å; L328-G452 WeakPolarHBondContact O-CA 3.21Å; L328-G452 PolarHBondContact O-N 3.31Å
453G80.7Confident91.2Very high28 Ų2840.7 Ų40.729%0.28921%0.209SC..SBendtrans-179-165.6177.500000113.5W455G453-W455 PolarHBondContact O-N 3.23Å
454D79.3Confident91.4Very high76 Ų7638 Ų3841%0.40620%0.196SC..SBendtrans-77.52.2178.3-67.9-39.3000113.9R411R411-D454 WeakPolarHBondContact CG-OD1 3.26Å; R411-D454 IonicContact CZ-OD1 2.71Å; R411-D454 IonicContact CZ-OD2 2.96Å; R411-D454 IonicContact NE-OD1 3.94Å; R411-D454 PolarHBondContact NE-OD1 3.48Å; R411-D454 IonicContact NE-OD2 3.41Å; R411-D454 PolarHBondContact NE-OD2 3.42Å; R411-D454 IonicContact NH2-OD1 2.82Å; R411-D454 PolarHBondContact NH2-OD1 3.24Å; R411-D454 IonicContact NH2-OD2 3.51Å; R411-D454 PolarHBondContact NH2-OD2 3.33Å
455W85.4Confident91.6Very high153 Ų15332.6 Ų32.658%0.5817%0.171SC*.SBendtrans-73.1178.5174-163.3-113.2000112.3G453 C457G453-W455 PolarHBondContact O-N 3.23Å; W455-C457 PolarHBondContact O-N 3.16Å; W455-C457 VanDerWaalsContact O-N 3.16Å; W455-C457 PolarHBondContact O-SG 2.97Å; W455-C457 VanDerWaalsContact O-SG 3.41Å
456H89.1Confident91.7Very high5 Ų529.9 Ų29.92%0.02316%0.158CC..  trans-54.3120.3174.7-73.3-86.3000110.8T407 V419 W421 L449T407-H456 HydrophobicContact CG2-CB 4.24Å; T407-H456 PolarHBondContact OG1-ND1 3.04Å; V419-H456 VanDerWaalsContact CG2-CE1 3.45Å; V419-H456 WeakPolarHBondContact CG2-CE1 3.45Å; W421-H456 HydrophobicContact CZ2-CB 4.46Å; L449-H456 HydrophobicContact CD2-CB 3.79Å
457C92.3Very high91.5Very high0 Ų033.5 Ų33.50%018%0.18CC..EExtended strand (participates in β ladder)trans-110133.6172.4-60.30000108.9T407 H408 L449 W455 Y459T407-C457 CarbonylContact C-O 3.53Å; T407-C457 WeakPolarHBondContact CA-O 3.39Å; T407-C457 WeakPolarHBondContact CB-O 3.27Å; H408-C457 PolarHBondContact N-O 3.29Å; H408-C457 PolarHBondContact O-N 2.94Å; L449-C457 CarbonylContact O-C 3.51Å; W455-C457 PolarHBondContact O-N 3.16Å; W455-C457 VanDerWaalsContact O-N 3.16Å; W455-C457 PolarHBondContact O-SG 2.97Å; W455-C457 VanDerWaalsContact O-SG 3.41Å; C457-Y459 PolarHBondContact O-N 3.4Å
458A95.3Very high91.3Very high0 Ų030.4 Ų30.40%017%0.165CC..EExtended strand (participates in β ladder)trans-56.1125.3172.300000110.3M312 R314 F333 V405 L449 L461M312-A458 WeakPolarHBondContact CB-O 3.27Å; M312-A458 HydrophobicContact CG-CB 4.41Å; M312-A458 VanDerWaalsContact CG-O 3.31Å; M312-A458 WeakPolarHBondContact CG-O 3.41Å; R314-A458 PolarHBondContact NE-O 3.36Å; R314-A458 PolarHBondContact NH2-O 2.87Å; F333-A458 HydrophobicContact CD1-CB 4.02Å; F333-A458 HydrophobicContact CE1-CB 3.48Å; F333-A458 VanDerWaalsContact CE1-CB 3.48Å; F333-A458 HydrophobicContact CZ-CB 4.2Å; V405-A458 HydrophobicContact CG1-CB 3.88Å; L449-A458 WeakPolarHBondContact O-CB 3.49Å; L449-A458 PolarHBondContact O-N 3.35Å; A458-L461 HydrophobicContact CB-CD2 3.96Å
459Y95.4Very high90.9Very high4 Ų425.8 Ų25.82%0.01615%0.147CC..EExtended strand (participates in β ladder)trans-113.9-46.8-175.9-174.7-126000111.2D198 A199 N200 M312 F315 L406 Y418 C457D198-Y459 VanDerWaalsContact OD1-CE1 3.29Å; D198-Y459 WeakPolarHBondContact OD1-CE1 3.41Å; D198-Y459 PolarHBondContact OD1-OH 3.01Å; D198-Y459 PolarHBondContact OD2-OH 3.27Å; A199-Y459 HydrophobicContact CB-CE1 4.44Å; N200-Y459 HydrophobicContact CB-CE1 3.81Å; M312-Y459 WeakPolarHBondContact CB-O 3.28Å; M312-Y459 PolarHBondContact N-O 3.45Å; F315-Y459 HydrophobicContact CD2-CD2 4.49Å; F315-Y459 AromaticContact CD2-CE2 3.64Å; F315-Y459 HydrophobicContact CD2-CE2 3.64Å; F315-Y459 HydrophobicContact CE2-CD2 4.27Å; F315-Y459 AromaticContact CE2-CE2 3.74Å; F315-Y459 HydrophobicContact CE2-CE2 3.74Å; L406-Y459 HydrophobicContact CD2-CD1 3.98Å; L406-Y459 WeakPolarHBondContact O-CA 3.45Å; L406-Y459 WeakPolarHBondContact O-CB 3.42Å; L406-Y459 PolarHBondContact O-N 3.43Å; Y418-Y459 HydrophobicContact CD1-CD1 4.45Å; Y418-Y459 AromaticContact CE1-CD1 3.78Å; Y418-Y459 HydrophobicContact CE1-CD1 3.78Å; Y418-Y459 HydrophobicContact CE1-CE1 4.01Å; C457-Y459 PolarHBondContact O-N 3.4Å
460V97.8Very high90.1Very high2 Ų230.4 Ų30.41%0.01216%0.164CC..EExtended strand (participates in β ladder)trans-128.7134.3169.5-177.20000108.8N200 T309 V310 L406N200-V460 HydrophobicContact CB-CG2 4.28Å; N200-V460 WeakPolarHBondContact OD1-CG2 3.45Å; T309-V460 HydrophobicContact CG2-CG1 3.53Å; V310-V460 CarbonylContact O-C 2.9Å; V310-V460 WeakPolarHBondContact O-CA 3.26Å; L406-V460 HydrophobicContact CB-CB 3.99Å; L406-V460 PolarHBondContact N-O 3.36Å; L406-V460 PolarHBondContact O-N 2.68Å
461L98.2Very high89.3Confident0 Ų032.6 Ų32.60%018%0.176CC..EExtended strand (participates in β ladder)trans-110131.7174.5-57.6175.2000108.5L270 T309 V310 M312 F333 L402 V405 A458 Y463L270-L461 HydrophobicContact CD1-CD1 4.15Å; L270-L461 HydrophobicContact CD2-CD1 3.77Å; T309-L461 CarbonylContact C-O 3.6Å; T309-L461 WeakPolarHBondContact CA-O 3.44Å; V310-L461 HydrophobicContact CB-CB 4.31Å; V310-L461 PolarHBondContact N-O 2.93Å; V310-L461 PolarHBondContact O-N 3.27Å; M312-L461 HydrophobicContact CE-CD1 3.79Å; M312-L461 HydrophobicContact CE-CG 4.14Å; M312-L461 HydrophobicContact SD-CD1 3.89Å; M312-L461 HydrophobicContact SD-CG 4.39Å; F333-L461 HydrophobicContact CB-CD1 3.66Å; F333-L461 HydrophobicContact CD1-CD1 4.31Å; F333-L461 HydrophobicContact CD1-CD2 4.25Å; F333-L461 HydrophobicContact CD2-CD1 4.38Å; F333-L461 HydrophobicContact CD2-CD2 4.05Å; F333-L461 HydrophobicContact CE1-CD2 4.36Å; F333-L461 HydrophobicContact CE2-CD2 4.2Å; F333-L461 HydrophobicContact CG-CD1 3.87Å; F333-L461 HydrophobicContact CG-CD2 4.09Å; F333-L461 HydrophobicContact CZ-CD2 4.34Å; L402-L461 HydrophobicContact CD1-CB 4.21Å; L402-L461 HydrophobicContact CD1-CD2 4.19Å; V405-L461 HydrophobicContact CB-CD2 4.3Å; V405-L461 HydrophobicContact CG1-CD2 3.84Å; V405-L461 HydrophobicContact CG2-CD2 3.9Å; A458-L461 HydrophobicContact CB-CD2 3.96Å; L461-Y463 HydrophobicContact CB-CD2 4.15Å; L461-Y463 HydrophobicContact CB-CE2 3.75Å; L461-Y463 HydrophobicContact CD1-CE2 3.99Å; L461-Y463 HydrophobicContact CG-CE2 4.46Å
462L98.3Very high87.9Confident1 Ų138.9 Ų38.91%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-115.1116.6171.9178.264.9000108.6T125 V126 W203 Q403 A404T125-L462 WeakPolarHBondContact OG1-CD2 3.12Å; V126-L462 HydrophobicContact CG2-CD2 3.65Å; W203-L462 HydrophobicContact CH2-CB 4.27Å; W203-L462 HydrophobicContact CH2-CD2 4.08Å; W203-L462 HydrophobicContact CZ2-CD1 4.32Å; Q403-L462 PolarHBondContact N-O 2.81Å; A404-L462 HydrophobicContact CB-CB 4.07Å; A404-L462 HydrophobicContact CB-CD2 4.33Å; A404-L462 PolarHBondContact N-O 3.23Å; A404-L462 PolarHBondContact O-N 3.27Å
463Y98Very high86.6Confident0 Ų041.2 Ų41.20%021%0.206CC..EExtended strand (participates in β ladder)trans-105.1135.4177-78.7-82.7000109.4L270 Y307 L308 V310 P334 L337 L402 L461L270-Y463 HydrophobicContact CD2-CE2 3.89Å; Y307-Y463 CarbonylContact C-O 3.49Å; Y307-Y463 VanDerWaalsContact CA-O 3.24Å; Y307-Y463 WeakPolarHBondContact CA-O 3.45Å; L308-Y463 PolarHBondContact N-O 2.8Å; L308-Y463 WeakPolarHBondContact O-CB 3.44Å; L308-Y463 PolarHBondContact O-N 3.14Å; V310-Y463 HydrophobicContact CG2-CD2 4.26Å; V310-Y463 HydrophobicContact CG2-CE2 4.45Å; P334-Y463 WeakPolarHBondContact O-CE1 3.38Å; P334-Y463 PolarHBondContact O-OH 3.4Å; L337-Y463 HydrophobicContact CB-CD1 3.81Å; L337-Y463 HydrophobicContact CB-CE1 3.5Å; L337-Y463 VanDerWaalsContact CB-CE1 3.5Å; L337-Y463 HydrophobicContact CB-CG 4.49Å; L337-Y463 HydrophobicContact CD2-CD1 4.33Å; L337-Y463 HydrophobicContact CD2-CD2 3.94Å; L337-Y463 HydrophobicContact CD2-CE1 4.22Å; L337-Y463 HydrophobicContact CD2-CE2 3.8Å; L337-Y463 HydrophobicContact CD2-CG 4.21Å; L337-Y463 HydrophobicContact CG-CE1 4.48Å; L402-Y463 HydrophobicContact CB-CD1 4.03Å; L402-Y463 HydrophobicContact CB-CE1 3.72Å; L402-Y463 HydrophobicContact CD1-CD1 4.08Å; L402-Y463 HydrophobicContact CD1-CD2 4.14Å; L402-Y463 HydrophobicContact CD1-CE1 3.72Å; L402-Y463 HydrophobicContact CD1-CE2 3.81Å; L402-Y463 HydrophobicContact CD1-CG 4.27Å; L402-Y463 HydrophobicContact CG-CE1 4.29Å; L461-Y463 HydrophobicContact CB-CD2 4.15Å; L461-Y463 HydrophobicContact CB-CE2 3.75Å; L461-Y463 HydrophobicContact CD1-CE2 3.99Å; L461-Y463 HydrophobicContact CG-CE2 4.46Å
464G96.5Very high84.8Confident0 Ų043.3 Ų43.30%021%0.213CC..EExtended strand (participates in β ladder)trans-110.6174.8169.900000111.4Y400 T401Y400-G464 CarbonylContact C-O 3.53Å; Y400-G464 WeakPolarHBondContact CA-O 3.45Å; Y400-G464 WeakPolarHBondContact CB-O 3.45Å; Y400-G464 WeakPolarHBondContact CD1-O 3.3Å; T401-G464 PolarHBondContact N-O 2.86Å; T401-G464 PolarHBondContact O-N 2.96Å
465P95.7Very high83Confident7 Ų742.9 Ų42.95%0.04522%0.22CC..EExtended strand (participates in β ladder)trans-67.6147.4-17631.9-36.2000110.8K306 T386 V467K306-P465 HydrophobicContact CD-CG 4.4Å; K306-P465 HydrophobicContact CG-CB 4.33Å; K306-P465 HydrophobicContact CG-CG 3.74Å; K306-P465 VanDerWaalsContact O-CD 3.27Å; K306-P465 WeakPolarHBondContact O-CD 3.47Å; T386-P465 HydrophobicContact CG2-CB 3.89Å; T386-P465 HydrophobicContact CG2-CG 4.07Å; P465-V467 PolarHBondContact O-N 3.2Å
466K93.4Very high80.6Confident15 Ų1544.2 Ų44.27%0.06523%0.232CC..  trans-67.4114.6171.6-169.9171.4-168.7174.70109.3E336 E362 R399 V468E336-K466 VanDerWaalsContact CD-NZ 3.34Å; E336-K466 VanDerWaalsContact OE1-CE 3.27Å; E336-K466 WeakPolarHBondContact OE1-CE 3.19Å; E336-K466 IonicContact OE1-NZ 3.13Å; E336-K466 PolarHBondContact OE1-NZ 2.83Å; E336-K466 IonicContact OE2-NZ 2.7Å; E336-K466 PolarHBondContact OE2-NZ 2.96Å; E362-K466 WeakPolarHBondContact OE1-CE 3.24Å; E362-K466 IonicContact OE1-NZ 3.4Å; E362-K466 PolarHBondContact OE1-NZ 3.35Å; E362-K466 IonicContact OE2-NZ 3.5Å; E362-K466 PolarHBondContact OE2-NZ 3.28Å; R399-K466 HydrophobicContact CB-CB 3.92Å; R399-K466 HydrophobicContact CB-CD 4.06Å; R399-K466 PolarHBondContact O-N 3.39Å; R399-K466 VanDerWaalsContact O-N 3.1Å; K466-V468 HydrophobicContact CG-CG2 4.26Å
467V89.7Confident78.2Confident77 Ų7749.5 Ų49.547%0.46727%0.267SS..  trans-95118.6179.9-176.10000109.1V383 T386 P465V383-V467 HydrophobicContact CG1-CG1 3.55Å; V383-V467 HydrophobicContact CG2-CG1 4.46Å; T386-V467 HydrophobicContact CG2-CG2 4.28Å; P465-V467 PolarHBondContact O-N 3.2Å
468V87.9Confident75.8Confident11 Ų1155.3 Ų55.37%0.06731%0.308CS..  trans-118.3133.9177.5-1780000109.2I358 I361 L384 K466I358-V468 HydrophobicContact CG1-CG2 4.07Å; I358-V468 HydrophobicContact CG2-CG2 3.97Å; I361-V468 HydrophobicContact CB-CG1 4.1Å; I361-V468 HydrophobicContact CD1-CG1 4.18Å; I361-V468 HydrophobicContact CG2-CG1 3.56Å; L384-V468 PolarHBondContact N-O 3.01Å; K466-V468 HydrophobicContact CG-CG2 4.26Å
469R83.7Confident72.9Confident83 Ų8364.3 Ų64.331%0.31337%0.371SS..EExtended strand (participates in β ladder)trans-101.2133.3175.2-68.8-177.2177.698.40.2111.1K365 D379 E382 V383K365-R469 WeakPolarHBondContact CE-O 3.34Å; K365-R469 PolarHBondContact NZ-O 2.86Å; D379-R469 WeakPolarHBondContact OD1-CD 3.41Å; D379-R469 IonicContact OD1-CZ 2.69Å; D379-R469 IonicContact OD1-NE 2.67Å; D379-R469 PolarHBondContact OD1-NE 3.07Å; D379-R469 IonicContact OD1-NH1 3.33Å; D379-R469 PolarHBondContact OD1-NH1 3.17Å; D379-R469 IonicContact OD1-NH2 2.68Å; D379-R469 IonicContact OD2-CZ 3.29Å; D379-R469 IonicContact OD2-NH1 2.65Å; D379-R469 PolarHBondContact OD2-NH1 3.06Å; D379-R469 IonicContact OD2-NH2 3.96Å; E382-R469 CarbonylContact O-C 3.57Å; E382-R469 VanDerWaalsContact O-CA 3.3Å; E382-R469 WeakPolarHBondContact O-CA 3.34Å; V383-R469 HydrophobicContact CG2-CG 3.85Å
470R77.4Confident71.8Confident99 Ų9967.3 Ų67.337%0.37439%0.388SS..EExtended strand (participates in β ladder)trans-95.3131.7171.4-178.9179.7178.6176-0.6109.9I361 G381 E382 L384 K472 T474I361-R470 HydrophobicContact CD1-CB 4.35Å; G381-R470 CarbonylContact C-O 3.51Å; G381-R470 WeakPolarHBondContact CA-O 3.31Å; E382-R470 PolarHBondContact N-O 3.45Å; E382-R470 PolarHBondContact O-N 3.4Å; L384-R470 HydrophobicContact CD2-CB 4.48Å; R470-K472 PolarHBondContact O-N 2.94Å; R470-T474 PolarHBondContact NE-OG1 2.87Å; R470-T474 PolarHBondContact NH2-O 3.02Å
471D72.8Confident70.4Confident47 Ų4770.7 Ų70.725%0.25141%0.408SS..PPolyproline II helixtrans-68.5129.1177.3-60.5-32.7000111.1S473 T474D471-S473 PolarHBondContact O-N 3.21Å; D471-S473 VanDerWaalsContact O-N 3.11Å; D471-T474 PolarHBondContact O-N 2.81Å; D471-T474 VanDerWaalsContact O-N 3.16Å; D471-T474 PolarHBondContact O-OG1 2.99Å
472K57.3Low68.9Low150 Ų15074.7 Ų74.765%0.65243%0.431SS*.G310 helixtrans-59.7-20.9177.9-69.5-177-179.4174.30113.3D380 R470 T474 A475D380-K472 WeakPolarHBondContact O-CE 3.34Å; R470-K472 PolarHBondContact O-N 2.94Å; K472-T474 PolarHBondContact O-N 3Å; K472-T474 VanDerWaalsContact O-N 3.12Å; K472-A475 PolarHBondContact O-N 3.48Å
473S53.6Low67.2Low108 Ų10879 Ų7976%0.75546%0.456SS*.G310 helixtrans-63.3-14.4176.958.70000113.9D471D471-S473 PolarHBondContact O-N 3.21Å; D471-S473 VanDerWaalsContact O-N 3.11Å
474T44.6Very low65.2Low71 Ų7183.9 Ų83.944%0.43649%0.485SS..G310 helixtrans-109.59.8179.962.50000114.3R470 D471 K472 Q476R470-T474 PolarHBondContact NE-OG1 2.87Å; R470-T474 PolarHBondContact NH2-O 3.02Å; D471-T474 PolarHBondContact O-N 2.81Å; D471-T474 VanDerWaalsContact O-N 3.16Å; D471-T474 PolarHBondContact O-OG1 2.99Å; K472-T474 PolarHBondContact O-N 3Å; K472-T474 VanDerWaalsContact O-N 3.12Å; T474-Q476 PolarHBondContact O-N 3.45Å; T474-Q476 VanDerWaalsContact O-N 3.08Å
475A39.7Very low63.1Low67 Ų6789.5 Ų89.555%0.55452%0.517SS*.  trans-75.493.4166.100000107.8K472K472-A475 PolarHBondContact O-N 3.48Å
476Q36.2Very low60.8Low181 Ų18195.4 Ų95.485%0.84655%0.55SS**  trans-52.7130.5159.2-85-173.8-27.400107.1T474 S478T474-Q476 PolarHBondContact O-N 3.45Å; T474-Q476 VanDerWaalsContact O-N 3.08Å; Q476-S478 PolarHBondContact O-N 2.91Å; Q476-S478 VanDerWaalsContact O-N 3.12Å
477P39.5Very low58.3Low117 Ų117101.6 Ų101.676%0.7659%0.588SS**  trans-59.5123.3176.820.2-25.3000107.7S479P477-S479 PolarHBondContact O-N 3.02Å
478S40.4Very low55.7Low122 Ų122103.7 Ų103.785%0.85360%0.598SS**  trans-54.7104.8164.551.20000107.4Q476Q476-S478 PolarHBondContact O-N 2.91Å; Q476-S478 VanDerWaalsContact O-N 3.12Å
479S35.3Very low52.8Low188 Ų188112.1 Ų112.1100%1.31565%0.646SS**  trans-74.70175.358.50000111.4P477P477-S479 PolarHBondContact O-N 3.02Å

Retrieved 479 of 479 residues in 775.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).