A0A087XE30_POEFO Loading...

Protein phosphatase 1, regulatory subunit 42

AlphaFold DB , UniProt , Accession A0A087XE30, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 266 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M66.6Low87.2Confident176 Ų17662.4 Ų62.487%0.86734%0.339SS*.  0116.70-172.6166.5-80.900108.5E42M1-E42 WeakPolarHBondContact CA-OE2 3.48Å; M1-E42 HydrophobicContact CG-CB 4.14Å; M1-E42 VanDerWaalsContact CG-OE2 3.3Å; M1-E42 WeakPolarHBondContact CG-OE2 3.48Å
2A89Confident86.5Confident41 Ų4157.9 Ų57.934%0.33932%0.316SS..  trans-88.4114.7177.800000109N40 I41 E42A2-N40 WeakPolarHBondContact CB-O 3.26Å; A2-I41 CarbonylContact O-C 3.48Å; A2-I41 WeakPolarHBondContact O-CA 3.17Å; A2-E42 PolarHBondContact O-N 3.22Å
3C93.3Very high84.5Confident33 Ų3355.7 Ų55.722%0.22331%0.314CS..EExtended strand (participates in β ladder)trans-111.1137.2-177.7-177.20000109.9T5 E43 G45C3-T5 HydrophobicContact CB-CG2 4.09Å; C3-T5 PolarHBondContact O-N 3.38Å; C3-E43 WeakPolarHBondContact CA-O 3.43Å; C3-G45 VanDerWaalsContact SG-CA 3.59Å; C3-G45 PolarHBondContact SG-N 3.07Å; C3-G45 VanDerWaalsContact SG-N 3.4Å
4L93.5Very high82.9Confident0 Ų064.9 Ų64.90%035%0.349CS..EExtended strand (participates in β ladder)trans-75.295.9171.4178.756.4000109.6L8 I9 L34 F36 I41 E43 G45 L47 L58L4-L8 HydrophobicContact CD1-CD2 4.1Å; L4-I9 HydrophobicContact CD1-CG1 4.14Å; L4-L34 HydrophobicContact CD2-CD2 4.34Å; L4-F36 HydrophobicContact CD1-CB 4.28Å; L4-F36 HydrophobicContact CD1-CD1 3.46Å; L4-F36 VanDerWaalsContact CD1-CD1 3.46Å; L4-F36 HydrophobicContact CD1-CD2 3.89Å; L4-F36 HydrophobicContact CD1-CE1 3.7Å; L4-F36 HydrophobicContact CD1-CE2 4.13Å; L4-F36 HydrophobicContact CD1-CG 3.58Å; L4-F36 HydrophobicContact CD1-CZ 4.05Å; L4-F36 HydrophobicContact CD2-CB 4.36Å; L4-F36 HydrophobicContact CD2-CG 4.43Å; L4-I41 HydrophobicContact CB-CD1 4.27Å; L4-I41 HydrophobicContact CB-CG2 4Å; L4-E43 PolarHBondContact N-O 2.78Å; L4-G45 WeakPolarHBondContact O-CA 3.43Å; L4-G45 PolarHBondContact O-N 2.9Å; L4-L47 HydrophobicContact CD2-CD1 3.85Å; L4-L47 HydrophobicContact CG-CD1 4.02Å; L4-L47 HydrophobicContact CG-CD2 4.43Å; L4-L58 HydrophobicContact CD2-CD2 3.61Å
5T92.9Very high81.3Confident46 Ų4662.7 Ų62.728%0.28234%0.336SS..  trans-112.3165.3177.663.30000111.7C3 D7 L8 I9C3-T5 HydrophobicContact CB-CG2 4.09Å; C3-T5 PolarHBondContact O-N 3.38Å; T5-D7 PolarHBondContact O-N 3.06Å; T5-L8 WeakPolarHBondContact O-CA 3.39Å; T5-L8 WeakPolarHBondContact O-CB 3.32Å; T5-L8 PolarHBondContact O-N 2.92Å; T5-L8 PolarHBondContact OG1-N 3.1Å; T5-I9 WeakPolarHBondContact O-CG1 3.36Å; T5-I9 PolarHBondContact O-N 3.03Å
6V90.2Very high80Confident41 Ų4163.6 Ų63.625%0.24834%0.336CS..Hα-helixtrans-54.1-36.9171.7-125.50000112.9I9 A10 L28V6-I9 WeakPolarHBondContact O-CB 3.35Å; V6-I9 PolarHBondContact O-N 3.11Å; V6-A10 PolarHBondContact O-N 3.14Å; V6-L28 HydrophobicContact CG1-CD1 3.14Å; V6-L28 HydrophobicContact CG1-CD2 3.63Å; V6-L28 HydrophobicContact CG1-CG 4Å
7D87.8Confident78.7Confident99 Ų9970.4 Ų70.453%0.52936%0.362SS..Hα-helixtrans-67.1-38175.4-66.1-38.1000112.1T5 I9 A10 K11T5-D7 PolarHBondContact O-N 3.06Å; D7-I9 VanDerWaalsContact C-N 3.28Å; D7-I9 PolarHBondContact O-N 3.17Å; D7-A10 PolarHBondContact O-N 3.33Å; D7-K11 WeakPolarHBondContact O-CB 3.34Å; D7-K11 VanDerWaalsContact O-CG 3.27Å; D7-K11 WeakPolarHBondContact O-CG 3.37Å; D7-K11 PolarHBondContact O-N 2.96Å
8L89.6Confident77.3Confident54 Ų5477.2 Ų77.228%0.28339%0.388SS..Hα-helixtrans-65.5-36174.6-165.171000111L4 T5 S12 F36L4-L8 HydrophobicContact CD1-CD2 4.1Å; T5-L8 WeakPolarHBondContact O-CA 3.39Å; T5-L8 WeakPolarHBondContact O-CB 3.32Å; T5-L8 PolarHBondContact O-N 2.92Å; T5-L8 PolarHBondContact OG1-N 3.1Å; L8-S12 WeakPolarHBondContact O-CB 3.15Å; L8-S12 PolarHBondContact O-N 2.9Å; L8-F36 HydrophobicContact CD2-CD1 3.96Å; L8-F36 HydrophobicContact CD2-CE1 3.7Å; L8-F36 HydrophobicContact CG-CE1 3.81Å
9I89.1Confident76.3Confident0 Ų080.4 Ų80.40%040%0.396CS..Hα-helixtrans-61.6-48.1171.4-60.2174.1000110.9L4 T5 V6 D7 K11 S12 Y27 L28 L31 L34 F36 L47L4-I9 HydrophobicContact CD1-CG1 4.14Å; T5-I9 WeakPolarHBondContact O-CG1 3.36Å; T5-I9 PolarHBondContact O-N 3.03Å; V6-I9 WeakPolarHBondContact O-CB 3.35Å; V6-I9 PolarHBondContact O-N 3.11Å; D7-I9 VanDerWaalsContact C-N 3.28Å; D7-I9 PolarHBondContact O-N 3.17Å; I9-K11 PolarHBondContact O-N 3.3Å; I9-S12 WeakPolarHBondContact O-CB 3.26Å; I9-S12 PolarHBondContact O-N 3.45Å; I9-Y27 HydrophobicContact CG2-CE1 4.38Å; I9-L28 HydrophobicContact CB-CD2 4.38Å; I9-L28 HydrophobicContact CD1-CD2 4.21Å; I9-L28 HydrophobicContact CG2-CD2 3.92Å; I9-L31 HydrophobicContact CG2-CD1 4.16Å; I9-L34 HydrophobicContact CD1-CD1 4.01Å; I9-L34 HydrophobicContact CD1-CD2 3.86Å; I9-L34 HydrophobicContact CG1-CD1 4.13Å; I9-L34 HydrophobicContact CG2-CD1 4.38Å; I9-F36 HydrophobicContact CB-CZ 4.38Å; I9-F36 HydrophobicContact CG1-CE2 3.91Å; I9-F36 HydrophobicContact CG1-CZ 3.93Å; I9-L47 HydrophobicContact CD1-CD2 3.64Å
10A84.7Confident75.5Confident26 Ų2689.2 Ų89.222%0.21542%0.424CS..Hα-helixtrans-62.2-42.2178.700000112.7V6 D7 S12 F16 L24V6-A10 PolarHBondContact O-N 3.14Å; D7-A10 PolarHBondContact O-N 3.33Å; A10-S12 VanDerWaalsContact C-N 3.32Å; A10-S12 PolarHBondContact O-N 3.08Å; A10-F16 WeakPolarHBondContact O-CB 3.41Å; A10-L24 HydrophobicContact CB-CD1 3.7Å; A10-L24 HydrophobicContact CB-CD2 3.84Å; A10-L24 HydrophobicContact CB-CG 4.43Å
11K83Confident75.3Confident170 Ų17089 Ų8974%0.73945%0.446SS*.Hα-helixtrans-71.3-26.3178.8-72172.6-176.8175.40112.8D7 I9 G13D7-K11 WeakPolarHBondContact O-CB 3.34Å; D7-K11 VanDerWaalsContact O-CG 3.27Å; D7-K11 WeakPolarHBondContact O-CG 3.37Å; D7-K11 PolarHBondContact O-N 2.96Å; I9-K11 PolarHBondContact O-N 3.3Å; K11-G13 VanDerWaalsContact C-N 3.35Å; K11-G13 PolarHBondContact O-N 2.96Å
12S78.3Confident75.9Confident9 Ų982.8 Ų82.86%0.06342%0.415CS..  trans-6891.8174.8-171.20000109.7L8 I9 A10 K14 H15 R39L8-S12 WeakPolarHBondContact O-CB 3.15Å; L8-S12 PolarHBondContact O-N 2.9Å; I9-S12 WeakPolarHBondContact O-CB 3.26Å; I9-S12 PolarHBondContact O-N 3.45Å; A10-S12 VanDerWaalsContact C-N 3.32Å; A10-S12 PolarHBondContact O-N 3.08Å; S12-K14 PolarHBondContact O-N 3.27Å; S12-H15 PolarHBondContact O-N 2.83Å; S12-R39 PolarHBondContact OG-NH1 3.05Å; S12-R39 PolarHBondContact OG-NH2 3.27Å
13G60.3Low75.8Confident29 Ų2984 Ų8430%0.29942%0.421SS..Hα-helixtrans-57.2-13.2-174.500000115.7K11 H15 K17K11-G13 VanDerWaalsContact C-N 3.35Å; K11-G13 PolarHBondContact O-N 2.96Å; G13-H15 VanDerWaalsContact C-N 3.35Å; G13-K17 WeakPolarHBondContact O-CB 3.42Å
14K62.8Low75.4Confident185 Ų18584.8 Ų84.880%0.80442%0.423SS*.Hα-helixtrans-69.6-29.2172-68.4-172.1177.8-176.50113.3S12S12-K14 PolarHBondContact O-N 3.27Å
15H58.9Low75Confident32 Ų3289.8 Ų89.815%0.14845%0.449CS..Hα-helixtrans-94.3-53.5-174.6-73-49.8000111.2S12 G13 Y27 H35 F36S12-H15 PolarHBondContact O-N 2.83Å; G13-H15 VanDerWaalsContact C-N 3.35Å; H15-Y27 VanDerWaalsContact C-CZ 3.5Å; H15-Y27 WeakPolarHBondContact CA-OH 3.49Å; H15-Y27 HydrophobicContact CB-CE1 4.11Å; H15-Y27 WeakPolarHBondContact CB-OH 3.29Å; H15-Y27 WeakPolarHBondContact O-CE2 3.47Å; H15-Y27 PolarHBondContact O-OH 3.07Å; H15-H35 PolarHBondContact NE2-O 3.09Å; H15-F36 AromaticContact CD2-CE2 3.53Å; H15-F36 AromaticContact NE2-CE2 3.61Å
16F60.6Low74.7Confident77 Ų7792.8 Ų92.834%0.33846%0.46SS..Hα-helixtrans-87-30.3-168.5-172.9-111.4000115.3A10 K18 L24 Y27A10-F16 WeakPolarHBondContact O-CB 3.41Å; F16-K18 PolarHBondContact O-N 2.64Å; F16-L24 HydrophobicContact CD2-CD1 3.97Å; F16-L24 HydrophobicContact CE2-CB 4.21Å; F16-L24 HydrophobicContact CE2-CD1 4.03Å; F16-Y27 HydrophobicContact CD2-CD1 4.12Å; F16-Y27 HydrophobicContact CD2-CG 4.34Å
17K56.8Low74.5Confident178 Ų17891.7 Ų91.777%0.77445%0.452SS*.THydrogen-bonded Turntrans-71.10.2-167.5-68.4-175.9176.5-174.50116.2G13G13-K17 WeakPolarHBondContact O-CB 3.42Å
18K54.5Low74.6Confident193 Ų19387 Ų8784%0.83943%0.427SS*.THydrogen-bonded Turntrans-97.8-11.7-173-101.7-177.9177.3-179.10116.1F16F16-K18 PolarHBondContact O-N 2.64Å
19R58.5Low74.6Confident139 Ų13990.3 Ų90.353%0.52544%0.439SS..  trans-122.889.2-173.2-63.5-169.8-179.8-164.93.9111.6G21 I22R19-G21 PolarHBondContact O-N 2.92Å; R19-I22 HydrophobicContact CB-CD1 3.48Å; R19-I22 VanDerWaalsContact CB-CD1 3.48Å; R19-I22 HydrophobicContact CB-CG1 3.65Å; R19-I22 HydrophobicContact CG-CD1 4.04Å
20R60.5Low74.7Confident256 Ų25693.3 Ų93.397%0.96646%0.457SS*.THydrogen-bonded Turntrans-60.6125.3170.4-68.5-178.6-175.8169.30.9108.5
21G71.3Confident75Confident85 Ų8592.5 Ų92.588%0.87645%0.449SS*.THydrogen-bonded Turntrans100.11.1170.200000117.6R19R19-G21 PolarHBondContact O-N 2.92Å
22I79.4Confident75.6Confident45 Ų4587.5 Ų87.523%0.23143%0.433CS..  trans-106.4143.1172.262.6172000111.4R19 Q26 Y27R19-I22 HydrophobicContact CB-CD1 3.48Å; R19-I22 VanDerWaalsContact CB-CD1 3.48Å; R19-I22 HydrophobicContact CB-CG1 3.65Å; R19-I22 HydrophobicContact CG-CD1 4.04Å; I22-Q26 HydrophobicContact CB-CB 4.5Å; I22-Y27 HydrophobicContact CD1-CD2 3.92Å; I22-Y27 HydrophobicContact CD1-CG 4.28Å
23S86.3Confident76.4Confident67 Ų6791.4 Ų91.447%0.46945%0.45SS..  trans-69.8156.1172.471.50000110.7L25 Q26 Y27S23-L25 PolarHBondContact O-N 3.08Å; S23-Q26 PolarHBondContact O-N 3.47Å; S23-Q26 VanDerWaalsContact O-N 3.12Å; S23-Q26 PolarHBondContact OG-N 2.82Å; S23-Y27 PolarHBondContact O-N 3.18Å
24L84.1Confident78Confident50 Ų5090 Ų9026%0.26244%0.436SS..Hα-helixtrans-53.8-42.4174.9177.761.5000111.5A10 F16 Q26 Y27 L28A10-L24 HydrophobicContact CB-CD1 3.7Å; A10-L24 HydrophobicContact CB-CD2 3.84Å; A10-L24 HydrophobicContact CB-CG 4.43Å; F16-L24 HydrophobicContact CD2-CD1 3.97Å; F16-L24 HydrophobicContact CE2-CB 4.21Å; F16-L24 HydrophobicContact CE2-CD1 4.03Å; L24-Q26 PolarHBondContact O-N 2.89Å; L24-Y27 HydrophobicContact CD1-CD1 4.47Å; L24-Y27 WeakPolarHBondContact O-CB 3.15Å; L24-Y27 PolarHBondContact O-N 3.25Å; L24-L28 HydrophobicContact CD1-CD1 4.31Å; L24-L28 HydrophobicContact CD1-CD2 4.48Å; L24-L28 HydrophobicContact CD1-CG 4.22Å; L24-L28 HydrophobicContact CG-CD1 4Å; L24-L28 HydrophobicContact CG-CG 4.41Å; L24-L28 WeakPolarHBondContact O-CD1 3.47Å; L24-L28 WeakPolarHBondContact O-CG 3.39Å; L24-L28 PolarHBondContact O-N 3.46Å
25L85.2Confident79.5Confident104 Ų10485.1 Ų85.155%0.54542%0.416SS..Hα-helixtrans-61-42.8178-66.6173.5000112.7S23 Y27 K29 M49S23-L25 PolarHBondContact O-N 3.08Å; L25-Y27 VanDerWaalsContact C-N 3.34Å; L25-K29 WeakPolarHBondContact O-CG 3.45Å; L25-K29 PolarHBondContact O-N 3.48Å; L25-M49 HydrophobicContact CD2-CG 4.39Å
26Q86.6Confident81.2Confident110 Ų11083.6 Ų83.651%0.51441%0.409SS..Hα-helixtrans-68.7-36.9177.5-167.5172.515.900111.2I22 S23 L24 T30I22-Q26 HydrophobicContact CB-CB 4.5Å; S23-Q26 PolarHBondContact O-N 3.47Å; S23-Q26 VanDerWaalsContact O-N 3.12Å; S23-Q26 PolarHBondContact OG-N 2.82Å; L24-Q26 PolarHBondContact O-N 2.89Å; Q26-T30 WeakPolarHBondContact O-CG2 3.29Å; Q26-T30 PolarHBondContact O-N 3.2Å
27Y86.6Confident82.8Confident18 Ų1880.6 Ų80.67%0.07140%0.397CS..Hα-helixtrans-60.7-49.9174.3174.6-108.5000112.4I9 H15 F16 I22 S23 L24 L25 K29 T30 L31I9-Y27 HydrophobicContact CG2-CE1 4.38Å; H15-Y27 VanDerWaalsContact C-CZ 3.5Å; H15-Y27 WeakPolarHBondContact CA-OH 3.49Å; H15-Y27 HydrophobicContact CB-CE1 4.11Å; H15-Y27 WeakPolarHBondContact CB-OH 3.29Å; H15-Y27 WeakPolarHBondContact O-CE2 3.47Å; H15-Y27 PolarHBondContact O-OH 3.07Å; F16-Y27 HydrophobicContact CD2-CD1 4.12Å; F16-Y27 HydrophobicContact CD2-CG 4.34Å; I22-Y27 HydrophobicContact CD1-CD2 3.92Å; I22-Y27 HydrophobicContact CD1-CG 4.28Å; S23-Y27 PolarHBondContact O-N 3.18Å; L24-Y27 HydrophobicContact CD1-CD1 4.47Å; L24-Y27 WeakPolarHBondContact O-CB 3.15Å; L24-Y27 PolarHBondContact O-N 3.25Å; L25-Y27 VanDerWaalsContact C-N 3.34Å; Y27-K29 VanDerWaalsContact C-N 3.26Å; Y27-K29 PolarHBondContact O-N 3.09Å; Y27-T30 WeakPolarHBondContact O-CA 3.19Å; Y27-T30 PolarHBondContact O-N 3.22Å; Y27-T30 PolarHBondContact O-OG1 3.46Å; Y27-L31 HydrophobicContact CE1-CD1 4.07Å; Y27-L31 HydrophobicContact CE1-CD2 3.85Å; Y27-L31 HydrophobicContact CE1-CG 4.11Å; Y27-L31 HydrophobicContact CE2-CD2 4.16Å; Y27-L31 PolarHBondContact O-N 3.15Å; Y27-L31 VanDerWaalsContact OH-CD2 3.23Å; Y27-L31 WeakPolarHBondContact OH-CD2 3.39Å
28L89.8Confident84.7Confident1 Ų177.5 Ų77.51%0.00539%0.389CS..Hα-helixtrans-58.4-38.4-178.8-65.4160.6000112.5V6 I9 L24 T30 L31 M49V6-L28 HydrophobicContact CG1-CD1 3.14Å; V6-L28 HydrophobicContact CG1-CD2 3.63Å; V6-L28 HydrophobicContact CG1-CG 4Å; I9-L28 HydrophobicContact CB-CD2 4.38Å; I9-L28 HydrophobicContact CD1-CD2 4.21Å; I9-L28 HydrophobicContact CG2-CD2 3.92Å; L24-L28 HydrophobicContact CD1-CD1 4.31Å; L24-L28 HydrophobicContact CD1-CD2 4.48Å; L24-L28 HydrophobicContact CD1-CG 4.22Å; L24-L28 HydrophobicContact CG-CD1 4Å; L24-L28 HydrophobicContact CG-CG 4.41Å; L24-L28 WeakPolarHBondContact O-CD1 3.47Å; L24-L28 WeakPolarHBondContact O-CG 3.39Å; L24-L28 PolarHBondContact O-N 3.46Å; L28-T30 PolarHBondContact O-N 3.2Å; L28-L31 HydrophobicContact CD2-CD1 3.92Å; L28-L31 WeakPolarHBondContact O-CB 3.21Å; L28-L31 PolarHBondContact O-N 2.76Å; L28-L31 VanDerWaalsContact O-N 3.16Å; L28-M49 HydrophobicContact CB-CB 4.16Å; L28-M49 HydrophobicContact CD1-CB 4.12Å
29K90.4Very high86.6Confident123 Ų12372.3 Ų72.354%0.53536%0.364SS..Hα-helixtrans-65.3-20.4175.4-70.5179.2-177.9-176.70113.2L25 Y27 N52L25-K29 WeakPolarHBondContact O-CG 3.45Å; L25-K29 PolarHBondContact O-N 3.48Å; Y27-K29 VanDerWaalsContact C-N 3.26Å; Y27-K29 PolarHBondContact O-N 3.09Å; K29-N52 PolarHBondContact O-ND2 2.68Å
30T89.9Confident88.3Confident63 Ų6369.5 Ų69.539%0.38736%0.359SS..THydrogen-bonded Turntrans-92-5.7177.364.20000113.8Q26 Y27 L28 T32Q26-T30 WeakPolarHBondContact O-CG2 3.29Å; Q26-T30 PolarHBondContact O-N 3.2Å; Y27-T30 WeakPolarHBondContact O-CA 3.19Å; Y27-T30 PolarHBondContact O-N 3.22Å; Y27-T30 PolarHBondContact O-OG1 3.46Å; L28-T30 PolarHBondContact O-N 3.2Å; T30-T32 PolarHBondContact O-N 2.88Å
31L91.6Very high90Very high9 Ų957.3 Ų57.35%0.04731%0.314CS..  trans-70.7121.2-179.5-72.2176.5000110.9I9 Y27 L28 L34 N52 L53I9-L31 HydrophobicContact CG2-CD1 4.16Å; Y27-L31 HydrophobicContact CE1-CD1 4.07Å; Y27-L31 HydrophobicContact CE1-CD2 3.85Å; Y27-L31 HydrophobicContact CE1-CG 4.11Å; Y27-L31 HydrophobicContact CE2-CD2 4.16Å; Y27-L31 PolarHBondContact O-N 3.15Å; Y27-L31 VanDerWaalsContact OH-CD2 3.23Å; Y27-L31 WeakPolarHBondContact OH-CD2 3.39Å; L28-L31 HydrophobicContact CD2-CD1 3.92Å; L28-L31 WeakPolarHBondContact O-CB 3.21Å; L28-L31 PolarHBondContact O-N 2.76Å; L28-L31 VanDerWaalsContact O-N 3.16Å; L31-L34 HydrophobicContact CD1-CD1 4.38Å; L31-N52 CarbonylContact O-C 3.52Å; L31-N52 VanDerWaalsContact O-C 3.22Å; L31-L53 PolarHBondContact O-N 3.22Å
32T95.1Very high91.2Very high64 Ų6456.7 Ų56.739%0.39329%0.288SS..SBendtrans-106.7-29.3169.758.20000111.8T30 N52 L53 T54 V55T30-T32 PolarHBondContact O-N 2.88Å; T32-N52 WeakPolarHBondContact CA-O 3.47Å; T32-L53 WeakPolarHBondContact O-CD1 3.19Å; T32-T54 PolarHBondContact O-N 3.22Å; T32-T54 PolarHBondContact O-OG1 2.95Å; T32-V55 PolarHBondContact O-N 3.35Å
33H94.9Very high92Very high92 Ų9258.6 Ų58.643%0.42630%0.295SS..EExtended strand (participates in β ladder)trans-125.7129.3179.2-63.565000109.6V55H33-V55 WeakPolarHBondContact CA-O 3.39Å; H33-V55 VanDerWaalsContact CD2-CB 3.48Å; H33-V55 WeakPolarHBondContact CD2-CB 3.4Å; H33-V55 WeakPolarHBondContact NE2-CG2 3.46Å
34L94.3Very high92.4Very high0 Ų055.4 Ų55.40%027%0.273CS..EExtended strand (participates in β ladder)trans-125.3118.3179.8-174.362.1000109.8L4 I9 L31 F36 L47 L53 V55 L56 Y57L4-L34 HydrophobicContact CD2-CD2 4.34Å; I9-L34 HydrophobicContact CD1-CD1 4.01Å; I9-L34 HydrophobicContact CD1-CD2 3.86Å; I9-L34 HydrophobicContact CG1-CD1 4.13Å; I9-L34 HydrophobicContact CG2-CD1 4.38Å; L31-L34 HydrophobicContact CD1-CD1 4.38Å; L34-F36 HydrophobicContact CD1-CD2 3.6Å; L34-F36 HydrophobicContact CD1-CE2 3.43Å; L34-F36 VanDerWaalsContact CD1-CE2 3.43Å; L34-F36 HydrophobicContact CD2-CD2 4.49Å; L34-F36 HydrophobicContact CG-CD2 3.76Å; L34-F36 HydrophobicContact CG-CE2 4.13Å; L34-L47 HydrophobicContact CD2-CD1 4.08Å; L34-L53 HydrophobicContact CB-CD1 3.5Å; L34-L53 VanDerWaalsContact CB-CD1 3.5Å; L34-L53 HydrophobicContact CB-CD2 4.19Å; L34-V55 PolarHBondContact N-O 3.12Å; L34-L56 HydrophobicContact CB-CD1 3.97Å; L34-L56 HydrophobicContact CD2-CD1 3.95Å; L34-L56 HydrophobicContact CG-CD1 4.11Å; L34-Y57 PolarHBondContact O-N 2.77Å
35H94.6Very high92.9Very high82 Ų8253.5 Ų53.538%0.3827%0.266SS..EExtended strand (participates in β ladder)trans-115.9112.6-175.1-171-70.8000112.2H15 S37 Y57 F59H15-H35 PolarHBondContact NE2-O 3.09Å; H35-S37 PolarHBondContact CE1-OG 3.03Å; H35-S37 PolarHBondContact NE2-OG 3.5Å; H35-Y57 HydrophobicContact CB-CD2 4.2Å; H35-Y57 AromaticContact CD2-CD2 3.87Å; H35-Y57 AromaticContact CD2-CG 3.79Å; H35-F59 AromaticContact NE2-CZ 3.94Å
36F94.9Very high93.2Very high0 Ų053.7 Ų53.70%027%0.267CS..  trans-140.929.3-174-89.3-92.3000112.9L4 L8 I9 H15 L34 I41 Y57 L58 N61L4-F36 HydrophobicContact CD1-CB 4.28Å; L4-F36 HydrophobicContact CD1-CD1 3.46Å; L4-F36 VanDerWaalsContact CD1-CD1 3.46Å; L4-F36 HydrophobicContact CD1-CD2 3.89Å; L4-F36 HydrophobicContact CD1-CE1 3.7Å; L4-F36 HydrophobicContact CD1-CE2 4.13Å; L4-F36 HydrophobicContact CD1-CG 3.58Å; L4-F36 HydrophobicContact CD1-CZ 4.05Å; L4-F36 HydrophobicContact CD2-CB 4.36Å; L4-F36 HydrophobicContact CD2-CG 4.43Å; L8-F36 HydrophobicContact CD2-CD1 3.96Å; L8-F36 HydrophobicContact CD2-CE1 3.7Å; L8-F36 HydrophobicContact CG-CE1 3.81Å; I9-F36 HydrophobicContact CB-CZ 4.38Å; I9-F36 HydrophobicContact CG1-CE2 3.91Å; I9-F36 HydrophobicContact CG1-CZ 3.93Å; H15-F36 AromaticContact CD2-CE2 3.53Å; H15-F36 AromaticContact NE2-CE2 3.61Å; L34-F36 HydrophobicContact CD1-CD2 3.6Å; L34-F36 HydrophobicContact CD1-CE2 3.43Å; L34-F36 VanDerWaalsContact CD1-CE2 3.43Å; L34-F36 HydrophobicContact CD2-CD2 4.49Å; L34-F36 HydrophobicContact CG-CD2 3.76Å; L34-F36 HydrophobicContact CG-CE2 4.13Å; F36-I41 HydrophobicContact CB-CD1 3.78Å; F36-I41 HydrophobicContact CD1-CD1 3.95Å; F36-I41 HydrophobicContact CG-CD1 4.31Å; F36-I41 WeakPolarHBondContact O-CD1 3.36Å; F36-Y57 CarbonylContact C-O 3.26Å; F36-Y57 PolarHBondContact N-O 3.48Å; F36-L58 HydrophobicContact CB-CD2 3.84Å; F36-N61 PolarHBondContact O-ND2 2.78Å
37S94.7Very high93.4Very high14 Ų1448.4 Ų48.410%0.09824%0.243CC..  trans-69.7154.7172.756.10000113.5H35 Y57 F59H35-S37 PolarHBondContact CE1-OG 3.03Å; H35-S37 PolarHBondContact NE2-OG 3.5Å; S37-Y57 PolarHBondContact N-O 2.94Å; S37-F59 WeakPolarHBondContact CA-O 3.18Å; S37-F59 VanDerWaalsContact CB-CD2 3.47Å; S37-F59 VanDerWaalsContact CB-CZ 3.46Å; S37-F59 WeakPolarHBondContact CB-O 3.31Å; S37-F59 WeakPolarHBondContact OG-CE2 3.49Å; S37-F59 WeakPolarHBondContact OG-CZ 3.48Å
38N94.9Very high93.7Very high112 Ų11248.9 Ų48.960%0.59925%0.249SC*.SBendtrans54.852.7177.2-164.57.7000113.8F59 E60N38-F59 PolarHBondContact N-O 3.36Å; N38-E60 WeakPolarHBondContact CA-O 3.42Å; N38-E60 HydrophobicContact CB-CB 4.14Å; N38-E60 PolarHBondContact N-O 2.72Å; N38-E60 VanDerWaalsContact N-O 3.07Å
39R94.4Very high93.7Very high85 Ų8551.9 Ų51.932%0.32126%0.263SS..SBendtrans-130.211.9-178.1-73.5-175.1180-148.54.5114.3S12 I41 N61S12-R39 PolarHBondContact OG-NH1 3.05Å; S12-R39 PolarHBondContact OG-NH2 3.27Å; R39-I41 HydrophobicContact CB-CD1 3.91Å; R39-I41 HydrophobicContact CB-CG1 3.87Å; R39-I41 PolarHBondContact O-N 3.28Å; R39-N61 PolarHBondContact N-OD1 2.7Å
40N95.5Very high93.8Very high79 Ų7946 Ų4642%0.42224%0.238SC..  trans54.329.9-175.5-60.2-61.8000113.2A2 E42 N61 R62A2-N40 WeakPolarHBondContact CB-O 3.26Å; N40-E42 PolarHBondContact O-N 3.29Å; N40-N61 PolarHBondContact N-OD1 2.91Å; N40-R62 PolarHBondContact OD1-NE 3.45Å; N40-R62 PolarHBondContact OD1-NH2 3.38Å
41I96.5Very high93.9Very high1 Ų150.7 Ų50.71%0.00525%0.248CC..  trans-68.3126.3-179.6-63.5163.9000108.9A2 L4 F36 R39 E43 L58 N61 R62 L63A2-I41 CarbonylContact O-C 3.48Å; A2-I41 WeakPolarHBondContact O-CA 3.17Å; L4-I41 HydrophobicContact CB-CD1 4.27Å; L4-I41 HydrophobicContact CB-CG2 4Å; F36-I41 HydrophobicContact CB-CD1 3.78Å; F36-I41 HydrophobicContact CD1-CD1 3.95Å; F36-I41 HydrophobicContact CG-CD1 4.31Å; F36-I41 WeakPolarHBondContact O-CD1 3.36Å; R39-I41 HydrophobicContact CB-CD1 3.91Å; R39-I41 HydrophobicContact CB-CG1 3.87Å; R39-I41 PolarHBondContact O-N 3.28Å; I41-E43 WeakPolarHBondContact CG2-O 3.38Å; I41-L58 HydrophobicContact CD1-CD2 4.42Å; I41-N61 HydrophobicContact CB-CB 4.18Å; I41-N61 WeakPolarHBondContact CB-OD1 3.47Å; I41-N61 PolarHBondContact N-OD1 3.24Å; I41-N61 WeakPolarHBondContact O-CB 3.2Å; I41-R62 CarbonylContact O-C 3.58Å; I41-R62 WeakPolarHBondContact O-CA 3.36Å; I41-R62 PolarHBondContact O-N 3.45Å; I41-L63 HydrophobicContact CG2-CD2 4.04Å; I41-L63 PolarHBondContact O-N 3.24Å
42E96.6Very high94Very high72 Ų7254.2 Ų54.234%0.33627%0.267SS..  trans-100.5-23.5-178.9-71.6166.2-165.700111.8M1 A2 N40 R62M1-E42 WeakPolarHBondContact CA-OE2 3.48Å; M1-E42 HydrophobicContact CG-CB 4.14Å; M1-E42 VanDerWaalsContact CG-OE2 3.3Å; M1-E42 WeakPolarHBondContact CG-OE2 3.48Å; A2-E42 PolarHBondContact O-N 3.22Å; N40-E42 PolarHBondContact O-N 3.29Å; E42-R62 HydrophobicContact CG-CB 3.88Å
43E95.6Very high94.1Very high84 Ų8451.2 Ų51.239%0.39325%0.249SC..EExtended strand (participates in β ladder)trans-147.2148.8-177.3-171.7178.9-175.800112.4C3 L4 I41C3-E43 WeakPolarHBondContact CA-O 3.43Å; L4-E43 PolarHBondContact N-O 2.78Å; I41-E43 WeakPolarHBondContact CG2-O 3.38Å
44I94.6Very high94.2Very high1 Ų148.7 Ų48.71%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-94.2116.2169.6-54173.2000108.4L47 L58 L63 S68 L69I44-L47 HydrophobicContact CG2-CD1 3.97Å; I44-L47 HydrophobicContact CG2-CG 4.44Å; I44-L58 HydrophobicContact CD1-CD1 3.55Å; I44-L58 HydrophobicContact CG1-CD1 4.05Å; I44-L63 HydrophobicContact CD1-CD1 4.38Å; I44-L63 HydrophobicContact CG1-CD1 4.43Å; I44-L63 HydrophobicContact CG1-CD2 3.95Å; I44-S68 VanDerWaalsContact O-CB 3.25Å; I44-S68 WeakPolarHBondContact O-CB 3.5Å; I44-S68 PolarHBondContact O-OG 3.43Å; I44-L69 HydrophobicContact CD1-CD2 4.21Å
45G93.5Very high94.4Very high10 Ų1049.1 Ų49.110%0.10324%0.242CC..  trans-80.6-170.3175.800000112.6C3 L4 L47C3-G45 VanDerWaalsContact SG-CA 3.59Å; C3-G45 PolarHBondContact SG-N 3.07Å; C3-G45 VanDerWaalsContact SG-N 3.4Å; L4-G45 WeakPolarHBondContact O-CA 3.43Å; L4-G45 PolarHBondContact O-N 2.9Å; G45-L47 PolarHBondContact O-N 3.3Å; G45-L47 VanDerWaalsContact O-N 3.14Å
46D91.8Very high94.5Very high107 Ų10745.2 Ų45.257%0.57222%0.224SC*.  trans-67.7114176.1-178.616.7000111.2S48D46-S48 WeakPolarHBondContact OD1-CA 3.46Å; D46-S48 WeakPolarHBondContact OD1-CB 3.37Å; D46-S48 PolarHBondContact OD1-N 2.92Å; D46-S48 PolarHBondContact OD1-OG 2.93Å; D46-S48 PolarHBondContact OD2-OG 2.98Å
47L92.1Very high94.7Very high0 Ų048.1 Ų48.10%024%0.236CC..  trans-116.622.1175-59.9-178.6000111.8L4 I9 L34 I44 G45 M49 C50 F71L4-L47 HydrophobicContact CD2-CD1 3.85Å; L4-L47 HydrophobicContact CG-CD1 4.02Å; L4-L47 HydrophobicContact CG-CD2 4.43Å; I9-L47 HydrophobicContact CD1-CD2 3.64Å; L34-L47 HydrophobicContact CD2-CD1 4.08Å; I44-L47 HydrophobicContact CG2-CD1 3.97Å; I44-L47 HydrophobicContact CG2-CG 4.44Å; G45-L47 PolarHBondContact O-N 3.3Å; G45-L47 VanDerWaalsContact O-N 3.14Å; L47-M49 PolarHBondContact O-N 3.42Å; L47-C50 WeakPolarHBondContact O-CB 3.46Å; L47-C50 PolarHBondContact O-N 3.39Å; L47-F71 HydrophobicContact CB-CD1 4.26Å; L47-F71 HydrophobicContact CB-CE1 3.49Å; L47-F71 VanDerWaalsContact CB-CE1 3.49Å; L47-F71 HydrophobicContact CB-CE2 4.16Å; L47-F71 HydrophobicContact CB-CZ 3.42Å; L47-F71 VanDerWaalsContact CB-CZ 3.42Å; L47-F71 HydrophobicContact CD1-CZ 4.28Å; L47-F71 HydrophobicContact CG-CZ 4.49Å; L47-F71 VanDerWaalsContact O-CD2 3.32Å; L47-F71 WeakPolarHBondContact O-CD2 3.22Å; L47-F71 WeakPolarHBondContact O-CE2 3.3Å
48S91.6Very high94.8Very high28 Ų2847.5 Ų47.520%0.19623%0.231CC..THydrogen-bonded Turntrans-56.2-17.3-176.661.80000115.7D46 R51D46-S48 WeakPolarHBondContact OD1-CA 3.46Å; D46-S48 WeakPolarHBondContact OD1-CB 3.37Å; D46-S48 PolarHBondContact OD1-N 2.92Å; D46-S48 PolarHBondContact OD1-OG 2.93Å; D46-S48 PolarHBondContact OD2-OG 2.98Å; S48-R51 WeakPolarHBondContact O-CG 3.21Å; S48-R51 PolarHBondContact O-NE 3.49Å
49M90.5Very high95Very high64 Ų6444.7 Ų44.732%0.31521%0.214SC..THydrogen-bonded Turntrans-77.5-20.4173.9-62.7-58.8118.900113.3L25 L28 L47 R51L25-M49 HydrophobicContact CD2-CG 4.39Å; L28-M49 HydrophobicContact CB-CB 4.16Å; L28-M49 HydrophobicContact CD1-CB 4.12Å; L47-M49 PolarHBondContact O-N 3.42Å; M49-R51 VanDerWaalsContact C-N 3.27Å; M49-R51 PolarHBondContact O-N 2.96Å
50C92.6Very high95.2Very high0 Ų044.8 Ų44.80%022%0.218CC..  trans-87.543.6-178.3-60.10000112.5L47 N52 L53 F71L47-C50 WeakPolarHBondContact O-CB 3.46Å; L47-C50 PolarHBondContact O-N 3.39Å; C50-N52 PolarHBondContact O-N 2.63Å; C50-N52 VanDerWaalsContact O-N 3.1Å; C50-L53 VanDerWaalsContact O-CB 3.26Å; C50-L53 WeakPolarHBondContact O-CB 3.49Å; C50-L53 PolarHBondContact O-N 3.25Å; C50-L53 VanDerWaalsContact O-N 3.1Å; C50-F71 HydrophobicContact CB-CD2 4.49Å; C50-F71 HydrophobicContact CB-CE2 3.86Å; C50-F71 WeakPolarHBondContact O-CE2 3.5Å
51R91.2Very high95.3Very high160 Ų16041.5 Ų41.560%0.60420%0.2SC*.THydrogen-bonded Turntrans-64.4-18.2-170.6-58.2-174.7-179177.6-5.1115.7S48 M49 L53 N74S48-R51 WeakPolarHBondContact O-CG 3.21Å; S48-R51 PolarHBondContact O-NE 3.49Å; M49-R51 VanDerWaalsContact C-N 3.27Å; M49-R51 PolarHBondContact O-N 2.96Å; R51-L53 VanDerWaalsContact C-N 3.32Å; R51-N74 PolarHBondContact O-ND2 2.99Å
52N94.6Very high95.4Very high84 Ų8447.9 Ų47.945%0.44922%0.224SC..THydrogen-bonded Turntrans-93.99.1179.9-69.1-33.3000112.7K29 L31 T32 C50 T54K29-N52 PolarHBondContact O-ND2 2.68Å; L31-N52 CarbonylContact O-C 3.52Å; L31-N52 VanDerWaalsContact O-C 3.22Å; T32-N52 WeakPolarHBondContact CA-O 3.47Å; C50-N52 PolarHBondContact O-N 2.63Å; C50-N52 VanDerWaalsContact O-N 3.1Å; N52-T54 PolarHBondContact O-N 3.38Å
53L96.1Very high95.4Very high0 Ų044.5 Ų44.50%021%0.209CC..  trans-65.5123.9-179.5-164.272.1000110.6L31 T32 L34 C50 R51 L56 N74 L75L31-L53 PolarHBondContact O-N 3.22Å; T32-L53 WeakPolarHBondContact O-CD1 3.19Å; L34-L53 HydrophobicContact CB-CD1 3.5Å; L34-L53 VanDerWaalsContact CB-CD1 3.5Å; L34-L53 HydrophobicContact CB-CD2 4.19Å; C50-L53 VanDerWaalsContact O-CB 3.26Å; C50-L53 WeakPolarHBondContact O-CB 3.49Å; C50-L53 PolarHBondContact O-N 3.25Å; C50-L53 VanDerWaalsContact O-N 3.1Å; R51-L53 VanDerWaalsContact C-N 3.32Å; L53-L56 HydrophobicContact CD2-CB 3.99Å; L53-L56 HydrophobicContact CD2-CD1 4.17Å; L53-L56 HydrophobicContact CD2-CD2 4.34Å; L53-L56 HydrophobicContact CD2-CG 4.4Å; L53-N74 CarbonylContact O-C 3.34Å; L53-N74 VanDerWaalsContact O-C 3.29Å; L53-L75 HydrophobicContact CD2-CD1 4.05Å; L53-L75 HydrophobicContact CG-CD1 3.99Å; L53-L75 PolarHBondContact O-N 2.97Å
54T98Very high95.5Very high40 Ų4044 Ų4425%0.24521%0.211CC..  trans-107.7-27.8176.957.20000111.8T32 N52 T76 H77T32-T54 PolarHBondContact O-N 3.22Å; T32-T54 PolarHBondContact O-OG1 2.95Å; N52-T54 PolarHBondContact O-N 3.38Å; T54-T76 PolarHBondContact O-N 3.41Å; T54-T76 PolarHBondContact O-OG1 2.95Å; T54-T76 VanDerWaalsContact O-OG1 3.04Å; T54-H77 PolarHBondContact O-N 2.86Å; T54-H77 VanDerWaalsContact O-N 3.16Å
55V98.3Very high95.6Very high8 Ų850.7 Ų50.75%0.04824%0.24CC..EExtended strand (participates in β ladder)trans-137.1129.6-179-174.40000111.5T32 H33 L34 Y57 H77 Y79T32-V55 PolarHBondContact O-N 3.35Å; H33-V55 WeakPolarHBondContact CA-O 3.39Å; H33-V55 VanDerWaalsContact CD2-CB 3.48Å; H33-V55 WeakPolarHBondContact CD2-CB 3.4Å; H33-V55 WeakPolarHBondContact NE2-CG2 3.46Å; L34-V55 PolarHBondContact N-O 3.12Å; V55-Y57 HydrophobicContact CB-CE2 4.29Å; V55-Y57 HydrophobicContact CG1-CD2 3.97Å; V55-Y57 HydrophobicContact CG1-CE1 4.15Å; V55-Y57 HydrophobicContact CG1-CE2 3.33Å; V55-Y57 VanDerWaalsContact CG1-CZ 3.43Å; V55-H77 WeakPolarHBondContact CA-O 3.36Å; V55-H77 HydrophobicContact CB-CB 4.32Å; V55-H77 HydrophobicContact CG1-CB 3.86Å; V55-H77 HydrophobicContact CG2-CB 4.02Å; V55-Y79 HydrophobicContact CG1-CD2 4.19Å; V55-Y79 HydrophobicContact CG1-CE2 3.82Å
56L97.6Very high95.6Very high0 Ų050.3 Ų50.30%024%0.236CC..EExtended strand (participates in β ladder)trans-124.6118179.8-179.353.7000110.9L34 L53 L58 L69 L75 H77 L78 Y79L34-L56 HydrophobicContact CB-CD1 3.97Å; L34-L56 HydrophobicContact CD2-CD1 3.95Å; L34-L56 HydrophobicContact CG-CD1 4.11Å; L53-L56 HydrophobicContact CD2-CB 3.99Å; L53-L56 HydrophobicContact CD2-CD1 4.17Å; L53-L56 HydrophobicContact CD2-CD2 4.34Å; L53-L56 HydrophobicContact CD2-CG 4.4Å; L56-L58 HydrophobicContact CD1-CD1 3.99Å; L56-L58 HydrophobicContact CD1-CD2 4.2Å; L56-L58 HydrophobicContact CD1-CG 3.83Å; L56-L58 HydrophobicContact CD2-CD1 3.68Å; L56-L58 HydrophobicContact CD2-CG 4.36Å; L56-L58 HydrophobicContact CG-CD1 3.72Å; L56-L58 HydrophobicContact CG-CG 3.84Å; L56-L69 HydrophobicContact CD2-CD2 3.82Å; L56-L75 HydrophobicContact CB-CD1 3.85Å; L56-L75 HydrophobicContact CB-CD2 4.36Å; L56-H77 PolarHBondContact N-O 3.36Å; L56-L78 HydrophobicContact CB-CD1 4Å; L56-L78 HydrophobicContact CD2-CD1 3.95Å; L56-L78 HydrophobicContact CG-CD1 4.05Å; L56-Y79 PolarHBondContact O-N 3.13Å
57Y97.9Very high95.6Very high62 Ų6246.6 Ų46.624%0.24322%0.218CC..EExtended strand (participates in β ladder)trans-104.7109.3176.4-54.2-91000111.4L34 H35 F36 S37 V55 F59 Y79L34-Y57 PolarHBondContact O-N 2.77Å; H35-Y57 HydrophobicContact CB-CD2 4.2Å; H35-Y57 AromaticContact CD2-CD2 3.87Å; H35-Y57 AromaticContact CD2-CG 3.79Å; F36-Y57 CarbonylContact C-O 3.26Å; F36-Y57 PolarHBondContact N-O 3.48Å; S37-Y57 PolarHBondContact N-O 2.94Å; V55-Y57 HydrophobicContact CB-CE2 4.29Å; V55-Y57 HydrophobicContact CG1-CD2 3.97Å; V55-Y57 HydrophobicContact CG1-CE1 4.15Å; V55-Y57 HydrophobicContact CG1-CE2 3.33Å; V55-Y57 VanDerWaalsContact CG1-CZ 3.43Å; Y57-F59 HydrophobicContact CD1-CD1 4.3Å; Y57-F59 AromaticContact CD1-CE1 3.89Å; Y57-F59 HydrophobicContact CD1-CE1 3.89Å; Y57-F59 HydrophobicContact CG-CE1 4.33Å; Y57-Y79 HydrophobicContact CD1-CD1 4.49Å; Y57-Y79 AromaticContact CD1-CD2 3.34Å; Y57-Y79 HydrophobicContact CD1-CD2 3.34Å; Y57-Y79 AromaticContact CD1-CE2 3.81Å; Y57-Y79 HydrophobicContact CD1-CE2 3.81Å; Y57-Y79 AromaticContact CD1-CG 3.74Å; Y57-Y79 HydrophobicContact CD1-CG 3.74Å; Y57-Y79 AromaticContact CE1-CD2 3.41Å; Y57-Y79 HydrophobicContact CE1-CD2 3.41Å; Y57-Y79 VanDerWaalsContact CE1-CD2 3.41Å; Y57-Y79 HydrophobicContact CE1-CE1 4.49Å; Y57-Y79 AromaticContact CE1-CE2 3.32Å; Y57-Y79 HydrophobicContact CE1-CE2 3.32Å; Y57-Y79 HydrophobicContact CE1-CG 4.07Å; Y57-Y79 AromaticContact CE1-CZ 3.92Å; Y57-Y79 HydrophobicContact CG-CD2 4.13Å; Y57-Y79 AromaticContact CZ-CE2 3.93Å
58L97.7Very high95.5Very high0 Ų048.7 Ų48.70%023%0.233CC..  trans-129.416.8-179.8-67.1174.5000112.8L4 F36 I41 I44 L56 N61 L63 Y79 L80 N83L4-L58 HydrophobicContact CD2-CD2 3.61Å; F36-L58 HydrophobicContact CB-CD2 3.84Å; I41-L58 HydrophobicContact CD1-CD2 4.42Å; I44-L58 HydrophobicContact CD1-CD1 3.55Å; I44-L58 HydrophobicContact CG1-CD1 4.05Å; L56-L58 HydrophobicContact CD1-CD1 3.99Å; L56-L58 HydrophobicContact CD1-CD2 4.2Å; L56-L58 HydrophobicContact CD1-CG 3.83Å; L56-L58 HydrophobicContact CD2-CD1 3.68Å; L56-L58 HydrophobicContact CD2-CG 4.36Å; L56-L58 HydrophobicContact CG-CD1 3.72Å; L56-L58 HydrophobicContact CG-CG 3.84Å; L58-N61 PolarHBondContact O-ND2 2.78Å; L58-L63 HydrophobicContact CB-CD1 4.08Å; L58-L63 HydrophobicContact CD1-CD1 4.12Å; L58-Y79 CarbonylContact C-O 3.19Å; L58-Y79 WeakPolarHBondContact CA-O 3.28Å; L58-Y79 PolarHBondContact N-O 3.27Å; L58-L80 HydrophobicContact CB-CD2 3.77Å; L58-L80 HydrophobicContact CD1-CD2 4.06Å; L58-N83 PolarHBondContact O-ND2 2.79Å
59F98.1Very high95.6Very high53 Ų5347.4 Ų47.423%0.23222%0.224CC..  trans-62.9155.9177.163.3-92.2000112.5H35 S37 N38 Y57 N61 Y79 Q81H35-F59 AromaticContact NE2-CZ 3.94Å; S37-F59 WeakPolarHBondContact CA-O 3.18Å; S37-F59 VanDerWaalsContact CB-CD2 3.47Å; S37-F59 VanDerWaalsContact CB-CZ 3.46Å; S37-F59 WeakPolarHBondContact CB-O 3.31Å; S37-F59 WeakPolarHBondContact OG-CE2 3.49Å; S37-F59 WeakPolarHBondContact OG-CZ 3.48Å; N38-F59 PolarHBondContact N-O 3.36Å; Y57-F59 HydrophobicContact CD1-CD1 4.3Å; Y57-F59 AromaticContact CD1-CE1 3.89Å; Y57-F59 HydrophobicContact CD1-CE1 3.89Å; Y57-F59 HydrophobicContact CG-CE1 4.33Å; F59-N61 PolarHBondContact O-ND2 3.43Å; F59-Y79 PolarHBondContact N-O 2.87Å; F59-Q81 CarbonylContact C-O 3.25Å; F59-Q81 WeakPolarHBondContact CA-O 3.44Å; F59-Q81 HydrophobicContact CB-CB 4.17Å; F59-Q81 WeakPolarHBondContact CB-O 3.24Å
60E98.1Very high95.7Very high88 Ų8849.1 Ų49.141%0.41123%0.234SC..SBendtrans56.752.2-178-66.1175.9-17300112.7N38 Q81 N82N38-E60 WeakPolarHBondContact CA-O 3.42Å; N38-E60 HydrophobicContact CB-CB 4.14Å; N38-E60 PolarHBondContact N-O 2.72Å; N38-E60 VanDerWaalsContact N-O 3.07Å; E60-Q81 PolarHBondContact N-O 2.86Å; E60-N82 CarbonylContact C-O 3.51Å; E60-N82 VanDerWaalsContact CA-O 3.23Å; E60-N82 WeakPolarHBondContact CA-O 3.33Å; E60-N82 HydrophobicContact CB-CB 4.43Å; E60-N82 HydrophobicContact CG-CB 3.84Å; E60-N82 PolarHBondContact N-O 3.03Å
61N98.2Very high95.5Very high9 Ų950.4 Ų50.45%0.04824%0.24CC..SBendtrans-126.2-161173.9-80.5-60000109.4F36 R39 N40 I41 L58 F59 L63 N82 N83F36-N61 PolarHBondContact O-ND2 2.78Å; R39-N61 PolarHBondContact N-OD1 2.7Å; N40-N61 PolarHBondContact N-OD1 2.91Å; I41-N61 HydrophobicContact CB-CB 4.18Å; I41-N61 WeakPolarHBondContact CB-OD1 3.47Å; I41-N61 PolarHBondContact N-OD1 3.24Å; I41-N61 WeakPolarHBondContact O-CB 3.2Å; L58-N61 PolarHBondContact O-ND2 2.78Å; F59-N61 PolarHBondContact O-ND2 3.43Å; N61-L63 HydrophobicContact CB-CG 4.48Å; N61-N82 PolarHBondContact N-O 3.23Å; N61-N82 VanDerWaalsContact N-O 3.12Å; N61-N83 VanDerWaalsContact CA-OD1 3.27Å; N61-N83 WeakPolarHBondContact CA-OD1 3.3Å; N61-N83 WeakPolarHBondContact CB-OD1 3.32Å; N61-N83 PolarHBondContact N-OD1 2.92Å; N61-N83 PolarHBondContact O-OD1 3.19Å
62R97.9Very high95.6Very high135 Ų13542.8 Ų42.851%0.50921%0.211SC..  trans-125.727.3-177.4-59.9179.5-173.6-123.3-0.7111.2N40 I41 E42 T64 N83N40-R62 PolarHBondContact OD1-NE 3.45Å; N40-R62 PolarHBondContact OD1-NH2 3.38Å; I41-R62 CarbonylContact O-C 3.58Å; I41-R62 WeakPolarHBondContact O-CA 3.36Å; I41-R62 PolarHBondContact O-N 3.45Å; E42-R62 HydrophobicContact CG-CB 3.88Å; R62-T64 PolarHBondContact O-N 3.25Å; R62-N83 PolarHBondContact N-OD1 3.05Å
63L98.1Very high95.6Very high1 Ų141.6 Ų41.61%0.00521%0.21CC..  trans-63131.1179.7-63.9170.6000109.2I41 I44 L58 N61 L80 N83 N84 I85I41-L63 HydrophobicContact CG2-CD2 4.04Å; I41-L63 PolarHBondContact O-N 3.24Å; I44-L63 HydrophobicContact CD1-CD1 4.38Å; I44-L63 HydrophobicContact CG1-CD1 4.43Å; I44-L63 HydrophobicContact CG1-CD2 3.95Å; L58-L63 HydrophobicContact CB-CD1 4.08Å; L58-L63 HydrophobicContact CD1-CD1 4.12Å; N61-L63 HydrophobicContact CB-CG 4.48Å; L63-L80 HydrophobicContact CD1-CD2 3.57Å; L63-N83 HydrophobicContact CB-CB 4.18Å; L63-N83 WeakPolarHBondContact CB-OD1 2.95Å; L63-N83 WeakPolarHBondContact CG-OD1 3.47Å; L63-N83 PolarHBondContact N-OD1 3.48Å; L63-N84 CarbonylContact O-C 3.39Å; L63-N84 VanDerWaalsContact O-CA 3.24Å; L63-N84 WeakPolarHBondContact O-CA 3.37Å; L63-N84 WeakPolarHBondContact O-CB 3.45Å; L63-N84 PolarHBondContact O-N 3.25Å; L63-I85 HydrophobicContact CB-CG1 4.23Å; L63-I85 PolarHBondContact O-N 3.43Å; L63-I85 VanDerWaalsContact O-N 3.1Å
64T96.9Very high95.6Very high73 Ų7343.9 Ų43.945%0.44822%0.222SC..  trans-101.9-16.4176.256.10000113R62 N84 I85 T86R62-T64 PolarHBondContact O-N 3.25Å; T64-N84 WeakPolarHBondContact CA-O 3.3Å; T64-N84 HydrophobicContact CG2-CB 4.08Å; T64-I85 WeakPolarHBondContact O-CA 3.45Å; T64-T86 PolarHBondContact O-N 3.28Å
65K96.3Very high95.6Very high142 Ų14242 Ų4262%0.61721%0.21SC*.SBendtrans-144.3151.7-178.1-61.3-175.8-179.8-174.30110.1
66I95Very high95.6Very high2 Ų243.5 Ų43.51%0.0122%0.22CC..  trans-89.4117.3165.5-54.4175.1000106.1L69 L80 I85 D89 N90 L91 L102I66-L69 HydrophobicContact CG2-CD1 3.66Å; I66-L80 HydrophobicContact CD1-CD1 3.87Å; I66-L80 HydrophobicContact CG1-CD1 3.95Å; I66-I85 HydrophobicContact CD1-CD1 4.47Å; I66-I85 HydrophobicContact CD1-CG2 4.4Å; I66-I85 HydrophobicContact CG1-CD1 3.93Å; I66-I85 HydrophobicContact CG1-CG2 4.08Å; I66-D89 WeakPolarHBondContact CB-O 3.43Å; I66-N90 WeakPolarHBondContact O-CB 3.33Å; I66-N90 PolarHBondContact O-ND2 3.29Å; I66-L91 HydrophobicContact CD1-CD1 4.45Å; I66-L91 HydrophobicContact CD1-CD2 4.13Å; I66-L91 HydrophobicContact CD1-CG 4.47Å; I66-L91 HydrophobicContact CG2-CD2 3.95Å; I66-L102 HydrophobicContact CD1-CD2 4.1Å
67C91.8Very high95.7Very high29 Ų2945.7 Ų45.720%0.19623%0.23CC..  trans-150.2166.7-177.863.70000110.8L69C67-L69 VanDerWaalsContact C-N 3.26Å; C67-L69 PolarHBondContact O-N 3.04Å
68S90.1Very high95.7Very high45 Ų4542.8 Ų42.832%0.31522%0.218SC..SBendtrans60.630.9173.4-480000114.1I44 F71I44-S68 VanDerWaalsContact O-CB 3.25Å; I44-S68 WeakPolarHBondContact O-CB 3.5Å; I44-S68 PolarHBondContact O-OG 3.43Å; S68-F71 WeakPolarHBondContact O-CD1 3.44Å; S68-F71 WeakPolarHBondContact O-CE1 3.47Å
69L92.9Very high95.8Very high1 Ų144.6 Ų44.61%0.00523%0.225CC..  trans-105.38.1179.7-65.6-176000114.1I44 L56 I66 C67 F71 A72 L78 L94I44-L69 HydrophobicContact CD1-CD2 4.21Å; L56-L69 HydrophobicContact CD2-CD2 3.82Å; I66-L69 HydrophobicContact CG2-CD1 3.66Å; C67-L69 VanDerWaalsContact C-N 3.26Å; C67-L69 PolarHBondContact O-N 3.04Å; L69-F71 HydrophobicContact CD2-CE1 4.36Å; L69-F71 PolarHBondContact O-N 2.98Å; L69-F71 VanDerWaalsContact O-N 3.08Å; L69-A72 WeakPolarHBondContact O-CB 3.46Å; L69-A72 PolarHBondContact O-N 3.46Å; L69-L78 HydrophobicContact CD1-CD2 3.96Å; L69-L94 HydrophobicContact CB-CD2 4.27Å; L69-L94 HydrophobicContact CD1-CD1 4.21Å
70D91.4Very high95.8Very high99 Ų9942.2 Ų42.253%0.52922%0.215SC..THydrogen-bonded Turntrans-59-27.1-176.6-57.6-53.2000113.9A72 N93D70-A72 VanDerWaalsContact C-N 3.28Å; D70-A72 PolarHBondContact O-N 3.38Å; D70-N93 PolarHBondContact OD1-ND2 2.97Å
71F90Very high95.8Very high27 Ų2739.5 Ų39.512%0.11820%0.202CC..THydrogen-bonded Turntrans-75-17.217875.1-86.5000113.6L47 C50 S68 L69 S73L47-F71 HydrophobicContact CB-CD1 4.26Å; L47-F71 HydrophobicContact CB-CE1 3.49Å; L47-F71 VanDerWaalsContact CB-CE1 3.49Å; L47-F71 HydrophobicContact CB-CE2 4.16Å; L47-F71 HydrophobicContact CB-CZ 3.42Å; L47-F71 VanDerWaalsContact CB-CZ 3.42Å; L47-F71 HydrophobicContact CD1-CZ 4.28Å; L47-F71 HydrophobicContact CG-CZ 4.49Å; L47-F71 VanDerWaalsContact O-CD2 3.32Å; L47-F71 WeakPolarHBondContact O-CD2 3.22Å; L47-F71 WeakPolarHBondContact O-CE2 3.3Å; C50-F71 HydrophobicContact CB-CD2 4.49Å; C50-F71 HydrophobicContact CB-CE2 3.86Å; C50-F71 WeakPolarHBondContact O-CE2 3.5Å; S68-F71 WeakPolarHBondContact O-CD1 3.44Å; S68-F71 WeakPolarHBondContact O-CE1 3.47Å; L69-F71 HydrophobicContact CD2-CE1 4.36Å; L69-F71 PolarHBondContact O-N 2.98Å; L69-F71 VanDerWaalsContact O-N 3.08Å; F71-S73 VanDerWaalsContact C-N 3.29Å; F71-S73 PolarHBondContact O-N 3.32Å
72A93.1Very high95.9Very high0 Ų041.9 Ų41.90%022%0.215CC..  trans-92.541.8-163.900000112.8L69 D70 N74 L75 L94L69-A72 WeakPolarHBondContact O-CB 3.46Å; L69-A72 PolarHBondContact O-N 3.46Å; D70-A72 VanDerWaalsContact C-N 3.28Å; D70-A72 PolarHBondContact O-N 3.38Å; A72-N74 PolarHBondContact O-N 3.49Å; A72-L75 HydrophobicContact CB-CB 4.12Å; A72-L75 WeakPolarHBondContact O-CB 3.48Å; A72-L75 PolarHBondContact O-N 2.99Å; A72-L94 HydrophobicContact CB-CD2 3.84Å; A72-L94 WeakPolarHBondContact O-CD2 3.38Å
73S94Very high95.9Very high60 Ų6035.5 Ų35.542%0.4219%0.191SC..THydrogen-bonded Turntrans-64.1-13.3-178.8610000114.8F71F71-S73 VanDerWaalsContact C-N 3.29Å; F71-S73 PolarHBondContact O-N 3.32Å
74N96.8Very high95.9Very high47 Ų4737.9 Ų37.925%0.25120%0.204SC..THydrogen-bonded Turntrans-960.4174-68.3-54.1000113.9R51 L53 A72 T76 K96R51-N74 PolarHBondContact O-ND2 2.99Å; L53-N74 CarbonylContact O-C 3.34Å; L53-N74 VanDerWaalsContact O-C 3.29Å; A72-N74 PolarHBondContact O-N 3.49Å; N74-T76 PolarHBondContact O-N 2.66Å; N74-K96 PolarHBondContact OD1-NZ 3.14Å
75L98.1Very high96Very high0 Ų034.4 Ų34.40%018%0.182CC..  trans-67.7127.1-177.4-158.674.5000110.1L53 L56 A72 L78 L94 K96 L97L53-L75 HydrophobicContact CD2-CD1 4.05Å; L53-L75 HydrophobicContact CG-CD1 3.99Å; L53-L75 PolarHBondContact O-N 2.97Å; L56-L75 HydrophobicContact CB-CD1 3.85Å; L56-L75 HydrophobicContact CB-CD2 4.36Å; A72-L75 HydrophobicContact CB-CB 4.12Å; A72-L75 WeakPolarHBondContact O-CB 3.48Å; A72-L75 PolarHBondContact O-N 2.99Å; L75-L78 HydrophobicContact CD2-CB 3.95Å; L75-L78 HydrophobicContact CD2-CD1 4.16Å; L75-L78 HydrophobicContact CD2-CD2 4.33Å; L75-L78 HydrophobicContact CD2-CG 4.38Å; L75-L94 HydrophobicContact CB-CD2 4.27Å; L75-L94 HydrophobicContact CD2-CD1 4.29Å; L75-L94 HydrophobicContact CD2-CD2 4.34Å; L75-K96 CarbonylContact O-C 3.58Å; L75-L97 HydrophobicContact CD2-CD1 4.15Å; L75-L97 HydrophobicContact CG-CD1 4.23Å; L75-L97 WeakPolarHBondContact O-CA 3.32Å; L75-L97 PolarHBondContact O-N 2.78Å; L75-L97 VanDerWaalsContact O-N 3.14Å
76T98.6Very high96Very high41 Ų4129.9 Ų29.925%0.25217%0.167SC..  trans-110.5-25.7177.958.20000111.9T54 N74 K96 S98 K99T54-T76 PolarHBondContact O-N 3.41Å; T54-T76 PolarHBondContact O-OG1 2.95Å; T54-T76 VanDerWaalsContact O-OG1 3.04Å; N74-T76 PolarHBondContact O-N 2.66Å; T76-K96 WeakPolarHBondContact CA-O 3.24Å; T76-K96 HydrophobicContact CG2-CB 4.4Å; T76-S98 PolarHBondContact O-N 3.03Å; T76-K99 PolarHBondContact O-N 3.38Å
77H98.8Very high96.1Very high46 Ų4634.1 Ų34.121%0.21319%0.186CC..EExtended strand (participates in β ladder)trans-135.3126.6-178.2-61.766.7000111T54 V55 L56 Y79 K99T54-H77 PolarHBondContact O-N 2.86Å; T54-H77 VanDerWaalsContact O-N 3.16Å; V55-H77 WeakPolarHBondContact CA-O 3.36Å; V55-H77 HydrophobicContact CB-CB 4.32Å; V55-H77 HydrophobicContact CG1-CB 3.86Å; V55-H77 HydrophobicContact CG2-CB 4.02Å; L56-H77 PolarHBondContact N-O 3.36Å; H77-Y79 HydrophobicContact CB-CE2 3.8Å; H77-K99 WeakPolarHBondContact CA-O 3.18Å; H77-K99 VanDerWaalsContact CD2-CD 3.4Å; H77-K99 WeakPolarHBondContact CD2-CD 3.4Å; H77-K99 WeakPolarHBondContact NE2-CD 3.48Å; H77-K99 VanDerWaalsContact NE2-CE 3.33Å; H77-K99 WeakPolarHBondContact NE2-CE 3.49Å
78L98.7Very high96.3Very high0 Ų032.7 Ų32.70%018%0.177CC..EExtended strand (participates in β ladder)trans-127.8119178.2-179.354.6000110.4L56 L69 L75 L80 L91 L94 L97 K99 L100 Y101L56-L78 HydrophobicContact CB-CD1 4Å; L56-L78 HydrophobicContact CD2-CD1 3.95Å; L56-L78 HydrophobicContact CG-CD1 4.05Å; L69-L78 HydrophobicContact CD1-CD2 3.96Å; L75-L78 HydrophobicContact CD2-CB 3.95Å; L75-L78 HydrophobicContact CD2-CD1 4.16Å; L75-L78 HydrophobicContact CD2-CD2 4.33Å; L75-L78 HydrophobicContact CD2-CG 4.38Å; L78-L80 HydrophobicContact CD1-CD1 4.02Å; L78-L80 HydrophobicContact CD1-CD2 4.43Å; L78-L80 HydrophobicContact CD1-CG 3.94Å; L78-L80 HydrophobicContact CD2-CD1 3.72Å; L78-L80 HydrophobicContact CG-CD1 3.7Å; L78-L80 HydrophobicContact CG-CG 3.96Å; L78-L91 HydrophobicContact CD2-CD2 4.16Å; L78-L94 HydrophobicContact CD2-CD1 4.02Å; L78-L97 HydrophobicContact CB-CD1 3.82Å; L78-K99 PolarHBondContact N-O 3.39Å; L78-L100 HydrophobicContact CB-CD1 4.01Å; L78-L100 HydrophobicContact CD2-CD1 3.94Å; L78-L100 HydrophobicContact CG-CD1 4.01Å; L78-Y101 PolarHBondContact O-N 3.05Å
79Y98.8Very high96.3Very high39 Ų3934.2 Ų34.215%0.15318%0.181CC..EExtended strand (participates in β ladder)trans-111.9110.6-178.9-61.8-90.1000110.2V55 L56 Y57 L58 F59 H77 Y101V55-Y79 HydrophobicContact CG1-CD2 4.19Å; V55-Y79 HydrophobicContact CG1-CE2 3.82Å; L56-Y79 PolarHBondContact O-N 3.13Å; Y57-Y79 HydrophobicContact CD1-CD1 4.49Å; Y57-Y79 AromaticContact CD1-CD2 3.34Å; Y57-Y79 HydrophobicContact CD1-CD2 3.34Å; Y57-Y79 AromaticContact CD1-CE2 3.81Å; Y57-Y79 HydrophobicContact CD1-CE2 3.81Å; Y57-Y79 AromaticContact CD1-CG 3.74Å; Y57-Y79 HydrophobicContact CD1-CG 3.74Å; Y57-Y79 AromaticContact CE1-CD2 3.41Å; Y57-Y79 HydrophobicContact CE1-CD2 3.41Å; Y57-Y79 VanDerWaalsContact CE1-CD2 3.41Å; Y57-Y79 HydrophobicContact CE1-CE1 4.49Å; Y57-Y79 AromaticContact CE1-CE2 3.32Å; Y57-Y79 HydrophobicContact CE1-CE2 3.32Å; Y57-Y79 HydrophobicContact CE1-CG 4.07Å; Y57-Y79 AromaticContact CE1-CZ 3.92Å; Y57-Y79 HydrophobicContact CG-CD2 4.13Å; Y57-Y79 AromaticContact CZ-CE2 3.93Å; L58-Y79 CarbonylContact C-O 3.19Å; L58-Y79 WeakPolarHBondContact CA-O 3.28Å; L58-Y79 PolarHBondContact N-O 3.27Å; F59-Y79 PolarHBondContact N-O 2.87Å; H77-Y79 HydrophobicContact CB-CE2 3.8Å; Y79-Y101 AromaticContact CD1-CD2 3.39Å; Y79-Y101 HydrophobicContact CD1-CD2 3.39Å; Y79-Y101 AromaticContact CD1-CE2 3.89Å; Y79-Y101 HydrophobicContact CD1-CE2 3.89Å; Y79-Y101 AromaticContact CD1-CG 3.85Å; Y79-Y101 HydrophobicContact CD1-CG 3.85Å; Y79-Y101 AromaticContact CE1-CD2 3.31Å; Y79-Y101 HydrophobicContact CE1-CD2 3.31Å; Y79-Y101 AromaticContact CE1-CE2 3.27Å; Y79-Y101 HydrophobicContact CE1-CE2 3.27Å; Y79-Y101 HydrophobicContact CE1-CG 4.03Å; Y79-Y101 AromaticContact CE1-CZ 3.98Å; Y79-Y101 HydrophobicContact CG-CD2 4.21Å; Y79-Y101 AromaticContact CZ-CE2 3.78Å
80L98.6Very high96.3Very high2 Ų238.1 Ų38.11%0.0120%0.202CC..  trans-128.617.6-175.5-72.2167.6000112.3L58 L63 I66 L78 N83 I85 Y101 L102 N105L58-L80 HydrophobicContact CB-CD2 3.77Å; L58-L80 HydrophobicContact CD1-CD2 4.06Å; L63-L80 HydrophobicContact CD1-CD2 3.57Å; I66-L80 HydrophobicContact CD1-CD1 3.87Å; I66-L80 HydrophobicContact CG1-CD1 3.95Å; L78-L80 HydrophobicContact CD1-CD1 4.02Å; L78-L80 HydrophobicContact CD1-CD2 4.43Å; L78-L80 HydrophobicContact CD1-CG 3.94Å; L78-L80 HydrophobicContact CD2-CD1 3.72Å; L78-L80 HydrophobicContact CG-CD1 3.7Å; L78-L80 HydrophobicContact CG-CG 3.96Å; L80-N83 PolarHBondContact O-ND2 3.43Å; L80-I85 HydrophobicContact CB-CD1 3.93Å; L80-I85 HydrophobicContact CD1-CD1 4.02Å; L80-I85 HydrophobicContact CD2-CD1 4.14Å; L80-I85 HydrophobicContact CG-CD1 4.27Å; L80-Y101 CarbonylContact C-O 3.23Å; L80-Y101 WeakPolarHBondContact CA-O 3.5Å; L80-Y101 PolarHBondContact N-O 2.95Å; L80-L102 HydrophobicContact CB-CD2 3.74Å; L80-L102 HydrophobicContact CD1-CD2 3.83Å; L80-L102 HydrophobicContact CG-CD2 4.46Å; L80-N105 PolarHBondContact O-ND2 2.82Å
81Q98.6Very high96.5Very high32 Ų3233.4 Ų33.415%0.1518%0.177CC..  trans-60.2152.9-179.4-5396-46.600112.1F59 E60 N83 Y101 S103F59-Q81 CarbonylContact C-O 3.25Å; F59-Q81 WeakPolarHBondContact CA-O 3.44Å; F59-Q81 HydrophobicContact CB-CB 4.17Å; F59-Q81 WeakPolarHBondContact CB-O 3.24Å; E60-Q81 PolarHBondContact N-O 2.86Å; Q81-N83 PolarHBondContact O-ND2 3.24Å; Q81-Y101 PolarHBondContact N-O 3.38Å; Q81-S103 CarbonylContact C-O 3.08Å; Q81-S103 WeakPolarHBondContact CA-O 3.49Å; Q81-S103 WeakPolarHBondContact CG-OG 3.4Å
82N98.6Very high96.7Very high58 Ų5834.9 Ų34.931%0.3119%0.191SC..SBendtrans54.555.8179.1-60.7-57.1000112.3E60 N61 S103 R104E60-N82 CarbonylContact C-O 3.51Å; E60-N82 VanDerWaalsContact CA-O 3.23Å; E60-N82 WeakPolarHBondContact CA-O 3.33Å; E60-N82 HydrophobicContact CB-CB 4.43Å; E60-N82 HydrophobicContact CG-CB 3.84Å; E60-N82 PolarHBondContact N-O 3.03Å; N61-N82 PolarHBondContact N-O 3.23Å; N61-N82 VanDerWaalsContact N-O 3.12Å; N82-S103 PolarHBondContact N-O 3.41Å; N82-R104 VanDerWaalsContact OD1-CB 3.26Å; N82-R104 WeakPolarHBondContact OD1-CB 3.22Å; N82-R104 WeakPolarHBondContact OD1-CD 3.38Å
83N98.7Very high96.7Very high1 Ų137.9 Ų37.91%0.00521%0.207CC..SBendtrans-124.7-166.4169.2-82.8-81.1000108.7L58 N61 R62 L63 L80 Q81 I85 N105L58-N83 PolarHBondContact O-ND2 2.79Å; N61-N83 VanDerWaalsContact CA-OD1 3.27Å; N61-N83 WeakPolarHBondContact CA-OD1 3.3Å; N61-N83 WeakPolarHBondContact CB-OD1 3.32Å; N61-N83 PolarHBondContact N-OD1 2.92Å; N61-N83 PolarHBondContact O-OD1 3.19Å; R62-N83 PolarHBondContact N-OD1 3.05Å; L63-N83 HydrophobicContact CB-CB 4.18Å; L63-N83 WeakPolarHBondContact CB-OD1 2.95Å; L63-N83 WeakPolarHBondContact CG-OD1 3.47Å; L63-N83 PolarHBondContact N-OD1 3.48Å; L80-N83 PolarHBondContact O-ND2 3.43Å; Q81-N83 PolarHBondContact O-ND2 3.24Å; N83-I85 HydrophobicContact CB-CD1 4.19Å; N83-I85 HydrophobicContact CB-CG1 4.11Å; N83-N105 VanDerWaalsContact CA-OD1 3.31Å; N83-N105 WeakPolarHBondContact CA-OD1 3.4Å; N83-N105 WeakPolarHBondContact CB-OD1 3.33Å; N83-N105 PolarHBondContact N-OD1 3.19Å; N83-N105 PolarHBondContact O-OD1 3.15Å
84N98.1Very high96.9Very high51 Ų5135 Ų3527%0.27319%0.187SC..  trans-117.826.9-179.6-63.766.2000110.9L63 T64 T86 N105L63-N84 CarbonylContact O-C 3.39Å; L63-N84 VanDerWaalsContact O-CA 3.24Å; L63-N84 WeakPolarHBondContact O-CA 3.37Å; L63-N84 WeakPolarHBondContact O-CB 3.45Å; L63-N84 PolarHBondContact O-N 3.25Å; T64-N84 WeakPolarHBondContact CA-O 3.3Å; T64-N84 HydrophobicContact CG2-CB 4.08Å; N84-T86 PolarHBondContact O-N 3.13Å; N84-N105 PolarHBondContact N-OD1 2.91Å
85I98.4Very high96.8Very high0 Ų038.3 Ų38.30%020%0.199CC..  trans-67.3133.4-175.1-60.7165000109.1L63 T64 I66 L80 N83 H87 L102 N105 R106 I107L63-I85 HydrophobicContact CB-CG1 4.23Å; L63-I85 PolarHBondContact O-N 3.43Å; L63-I85 VanDerWaalsContact O-N 3.1Å; T64-I85 WeakPolarHBondContact O-CA 3.45Å; I66-I85 HydrophobicContact CD1-CD1 4.47Å; I66-I85 HydrophobicContact CD1-CG2 4.4Å; I66-I85 HydrophobicContact CG1-CD1 3.93Å; I66-I85 HydrophobicContact CG1-CG2 4.08Å; L80-I85 HydrophobicContact CB-CD1 3.93Å; L80-I85 HydrophobicContact CD1-CD1 4.02Å; L80-I85 HydrophobicContact CD2-CD1 4.14Å; L80-I85 HydrophobicContact CG-CD1 4.27Å; N83-I85 HydrophobicContact CB-CD1 4.19Å; N83-I85 HydrophobicContact CB-CG1 4.11Å; I85-H87 VanDerWaalsContact CG2-O 3.26Å; I85-H87 WeakPolarHBondContact CG2-O 3.15Å; I85-L102 HydrophobicContact CD1-CD2 4Å; I85-N105 HydrophobicContact CB-CB 4.21Å; I85-N105 VanDerWaalsContact CB-OD1 3.3Å; I85-N105 WeakPolarHBondContact CB-OD1 3.05Å; I85-N105 WeakPolarHBondContact CG1-OD1 3.25Å; I85-N105 PolarHBondContact N-OD1 2.93Å; I85-R106 CarbonylContact O-C 3.26Å; I85-R106 VanDerWaalsContact O-C 3.26Å; I85-R106 WeakPolarHBondContact O-CA 3.37Å; I85-R106 PolarHBondContact O-N 3.06Å; I85-I107 HydrophobicContact CG2-CD1 4.23Å; I85-I107 HydrophobicContact CG2-CG1 4.19Å; I85-I107 PolarHBondContact O-N 2.93Å
86T97.2Very high96.8Very high47 Ų4743.9 Ų43.929%0.28822%0.223SC..  trans-109.8-26.6-177.348.80000113.4T64 N84 R106T64-T86 PolarHBondContact O-N 3.28Å; N84-T86 PolarHBondContact O-N 3.13Å; T86-R106 HydrophobicContact CG2-CB 4.01Å
87H96.6Very high96.8Very high91 Ų9142 Ų4242%0.42121%0.211SC..  trans-135.8148.1-175.4-6076.7000110.4I85 D89 E111I85-H87 VanDerWaalsContact CG2-O 3.26Å; I85-H87 WeakPolarHBondContact CG2-O 3.15Å; H87-D89 PolarHBondContact O-N 2.99Å; H87-E111 IonicContact CD2-OE1 3.86Å
88M96.1Very high96.8Very high0 Ų041 Ų410%021%0.21CC..  trans-98.258.2-178-69.5-176.254.300111.9L91 L100 L102 I107 V110 E111 L113 L124M88-L91 HydrophobicContact CE-CD1 4.33Å; M88-L100 HydrophobicContact CE-CD2 4.25Å; M88-L102 HydrophobicContact CE-CD1 3.72Å; M88-L102 HydrophobicContact CG-CD1 4.21Å; M88-L102 HydrophobicContact SD-CD1 3.95Å; M88-I107 HydrophobicContact CG-CD1 3.78Å; M88-I107 HydrophobicContact CG-CG1 4.28Å; M88-I107 HydrophobicContact CG-CG2 3.9Å; M88-I107 HydrophobicContact SD-CD1 4.16Å; M88-I107 HydrophobicContact SD-CG2 3.91Å; M88-V110 HydrophobicContact CE-CG1 4.18Å; M88-V110 HydrophobicContact SD-CB 4.35Å; M88-V110 HydrophobicContact SD-CG1 4.04Å; M88-V110 HydrophobicContact SD-CG2 4.5Å; M88-E111 HydrophobicContact CB-CG 4.3Å; M88-E111 WeakPolarHBondContact CB-O 3.46Å; M88-L113 HydrophobicContact CE-CD1 3.9Å; M88-L113 HydrophobicContact CE-CD2 3.59Å; M88-L113 HydrophobicContact CE-CG 3.98Å; M88-L124 HydrophobicContact SD-CD2 4.12Å
89D91Very high96.8Very high77 Ų7743.3 Ų43.341%0.41222%0.22SC..  trans-94.7169.3179.8-61.8-48.2000113.3I66 H87 L91I66-D89 WeakPolarHBondContact CB-O 3.43Å; H87-D89 PolarHBondContact O-N 2.99Å; D89-L91 VanDerWaalsContact C-N 3.29Å; D89-L91 PolarHBondContact O-N 2.87Å
90N92.6Very high96.8Very high82 Ų8241.5 Ų41.544%0.43921%0.213SC..SBendtrans61.630169.6-52.7-60.5000114.9I66I66-N90 WeakPolarHBondContact O-CB 3.33Å; I66-N90 PolarHBondContact O-ND2 3.29Å
91L95.9Very high96.8Very high1 Ų142.9 Ų42.91%0.00522%0.218CC..  trans-95.6-10.8174.8-62.9172.1000113I66 L78 M88 D89 N93 L94 L100 L113 L116I66-L91 HydrophobicContact CD1-CD1 4.45Å; I66-L91 HydrophobicContact CD1-CD2 4.13Å; I66-L91 HydrophobicContact CD1-CG 4.47Å; I66-L91 HydrophobicContact CG2-CD2 3.95Å; L78-L91 HydrophobicContact CD2-CD2 4.16Å; M88-L91 HydrophobicContact CE-CD1 4.33Å; D89-L91 VanDerWaalsContact C-N 3.29Å; D89-L91 PolarHBondContact O-N 2.87Å; L91-N93 PolarHBondContact O-N 2.76Å; L91-L94 HydrophobicContact CD2-CD1 3.64Å; L91-L94 WeakPolarHBondContact O-CB 3.46Å; L91-L94 WeakPolarHBondContact O-CG 3.23Å; L91-L94 PolarHBondContact O-N 2.94Å; L91-L100 HydrophobicContact CD1-CD2 4.04Å; L91-L113 HydrophobicContact CD1-CD2 3.95Å; L91-L116 HydrophobicContact CB-CD1 4.12Å; L91-L116 HydrophobicContact CD1-CD1 4.4Å; L91-L116 WeakPolarHBondContact O-CD2 2.84Å
92S93.9Very high96.8Very high58 Ų5841.4 Ų41.441%0.40621%0.211SC..THydrogen-bonded Turntrans-57.5-27.7-169.857.80000115.6L94 E115S92-L94 VanDerWaalsContact C-N 3.34Å; S92-E115 WeakPolarHBondContact O-CB 3.26Å
93N93.8Very high96.8Very high63 Ų6339 Ų3934%0.33720%0.199SC..THydrogen-bonded Turntrans-81.3-10.8177.9-76.1-45.7000113.7D70 L91 K95D70-N93 PolarHBondContact OD1-ND2 2.97Å; L91-N93 PolarHBondContact O-N 2.76Å; N93-K95 PolarHBondContact O-N 3.07Å
94L96.5Very high96.8Very high0 Ų044.8 Ų44.80%022%0.221CC..  trans-87.547.7-174.8-49.7-176.8000112.2L69 A72 L75 L78 L91 S92 K96 L97 L116L69-L94 HydrophobicContact CB-CD2 4.27Å; L69-L94 HydrophobicContact CD1-CD1 4.21Å; A72-L94 HydrophobicContact CB-CD2 3.84Å; A72-L94 WeakPolarHBondContact O-CD2 3.38Å; L75-L94 HydrophobicContact CB-CD2 4.27Å; L75-L94 HydrophobicContact CD2-CD1 4.29Å; L75-L94 HydrophobicContact CD2-CD2 4.34Å; L78-L94 HydrophobicContact CD2-CD1 4.02Å; L91-L94 HydrophobicContact CD2-CD1 3.64Å; L91-L94 WeakPolarHBondContact O-CB 3.46Å; L91-L94 WeakPolarHBondContact O-CG 3.23Å; L91-L94 PolarHBondContact O-N 2.94Å; S92-L94 VanDerWaalsContact C-N 3.34Å; L94-K96 PolarHBondContact O-N 3.3Å; L94-L97 HydrophobicContact CB-CB 4.03Å; L94-L97 HydrophobicContact CB-CD2 4.49Å; L94-L97 HydrophobicContact CD1-CD2 4.25Å; L94-L97 WeakPolarHBondContact O-CB 3.26Å; L94-L97 PolarHBondContact O-N 3.34Å; L94-L116 HydrophobicContact CB-CD2 4.09Å; L94-L116 WeakPolarHBondContact O-CD2 3.43Å
95K95.2Very high96.8Very high115 Ų11542.4 Ų42.450%0.521%0.208SC..THydrogen-bonded Turntrans-61.1-15.5-171.1-54.7-166.8-177.8-129.60115.2N93 E115N93-K95 PolarHBondContact O-N 3.07Å; K95-E115 IonicContact NZ-OE2 2.73Å; K95-E115 PolarHBondContact NZ-OE2 3.38Å
96K97.8Very high96.8Very high118 Ų11847.6 Ų47.651%0.51323%0.227SC..THydrogen-bonded Turntrans-99.23.7176.1-62-171.1-170.5170.10113.3N74 L75 T76 L94 S98N74-K96 PolarHBondContact OD1-NZ 3.14Å; L75-K96 CarbonylContact O-C 3.58Å; T76-K96 WeakPolarHBondContact CA-O 3.24Å; T76-K96 HydrophobicContact CG2-CB 4.4Å; L94-K96 PolarHBondContact O-N 3.3Å; K96-S98 PolarHBondContact O-N 3.43Å
97L98.5Very high96.9Very high0 Ų045.4 Ų45.40%021%0.214CC..  trans-64.8124.1-178-161.572.2000109.3L75 L78 L94 L100 L116 G118 L119L75-L97 HydrophobicContact CD2-CD1 4.15Å; L75-L97 HydrophobicContact CG-CD1 4.23Å; L75-L97 WeakPolarHBondContact O-CA 3.32Å; L75-L97 PolarHBondContact O-N 2.78Å; L75-L97 VanDerWaalsContact O-N 3.14Å; L78-L97 HydrophobicContact CB-CD1 3.82Å; L94-L97 HydrophobicContact CB-CB 4.03Å; L94-L97 HydrophobicContact CB-CD2 4.49Å; L94-L97 HydrophobicContact CD1-CD2 4.25Å; L94-L97 WeakPolarHBondContact O-CB 3.26Å; L94-L97 PolarHBondContact O-N 3.34Å; L97-L100 HydrophobicContact CD2-CB 4.02Å; L97-L100 HydrophobicContact CD2-CD1 4.26Å; L97-L100 HydrophobicContact CD2-CD2 4.29Å; L97-L100 HydrophobicContact CD2-CG 4.43Å; L97-L116 HydrophobicContact CB-CD2 4.48Å; L97-L116 HydrophobicContact CD2-CD1 4.07Å; L97-G118 CarbonylContact O-C 3.4Å; L97-G118 VanDerWaalsContact O-C 3.26Å; L97-L119 HydrophobicContact CD2-CD1 4.19Å; L97-L119 HydrophobicContact CG-CD1 4.17Å; L97-L119 VanDerWaalsContact O-CA 3.3Å; L97-L119 WeakPolarHBondContact O-CA 3.19Å; L97-L119 PolarHBondContact O-N 3.15Å
98S98.7Very high96.9Very high27 Ų2743.1 Ų43.119%0.18921%0.208CC..  trans-111.6-31.8-179177.20000110.8T76 K96 K120 E121T76-S98 PolarHBondContact O-N 3.03Å; K96-S98 PolarHBondContact O-N 3.43Å; S98-K120 WeakPolarHBondContact O-CA 3.08Å; S98-K120 PolarHBondContact O-N 2.88Å; S98-E121 PolarHBondContact O-N 3.36Å
99K98.9Very high97Very high48 Ų4845.2 Ų45.221%0.20922%0.221CC..EExtended strand (participates in β ladder)trans-130.8127.1178.9-47.2-161.8-174.3-152.40112.2T76 H77 L78 Y101 E121T76-K99 PolarHBondContact O-N 3.38Å; H77-K99 WeakPolarHBondContact CA-O 3.18Å; H77-K99 VanDerWaalsContact CD2-CD 3.4Å; H77-K99 WeakPolarHBondContact CD2-CD 3.4Å; H77-K99 WeakPolarHBondContact NE2-CD 3.48Å; H77-K99 VanDerWaalsContact NE2-CE 3.33Å; H77-K99 WeakPolarHBondContact NE2-CE 3.49Å; L78-K99 PolarHBondContact N-O 3.39Å; K99-Y101 HydrophobicContact CB-CD2 4.43Å; K99-Y101 HydrophobicContact CB-CE2 3.72Å; K99-Y101 HydrophobicContact CD-CE2 4.27Å; K99-E121 WeakPolarHBondContact CA-O 3.48Å; K99-E121 HydrophobicContact CB-CB 4.3Å; K99-E121 HydrophobicContact CD-CB 4.46Å; K99-E121 HydrophobicContact CD-CG 4.31Å; K99-E121 WeakPolarHBondContact CD-OE2 3.45Å; K99-E121 WeakPolarHBondContact CE-OE1 3.41Å; K99-E121 HydrophobicContact CG-CB 4.15Å; K99-E121 HydrophobicContact CG-CG 4.25Å; K99-E121 VanDerWaalsContact NZ-CD 3.28Å; K99-E121 IonicContact NZ-OE1 2.68Å; K99-E121 PolarHBondContact NZ-OE1 3.49Å; K99-E121 IonicContact NZ-OE2 3.24Å; K99-E121 PolarHBondContact NZ-OE2 3.47Å
100L98.8Very high97.4Very high0 Ų041.5 Ų41.50%020%0.201CC..EExtended strand (participates in β ladder)trans-128119177.8-179.855.1000110.2L78 M88 L91 L97 L102 L113 L119 E121 L122 H123L78-L100 HydrophobicContact CB-CD1 4.01Å; L78-L100 HydrophobicContact CD2-CD1 3.94Å; L78-L100 HydrophobicContact CG-CD1 4.01Å; M88-L100 HydrophobicContact CE-CD2 4.25Å; L91-L100 HydrophobicContact CD1-CD2 4.04Å; L97-L100 HydrophobicContact CD2-CB 4.02Å; L97-L100 HydrophobicContact CD2-CD1 4.26Å; L97-L100 HydrophobicContact CD2-CD2 4.29Å; L97-L100 HydrophobicContact CD2-CG 4.43Å; L100-L102 HydrophobicContact CD1-CD1 3.99Å; L100-L102 HydrophobicContact CD1-CG 3.96Å; L100-L102 HydrophobicContact CD2-CD1 3.75Å; L100-L102 HydrophobicContact CG-CD1 3.75Å; L100-L102 HydrophobicContact CG-CG 4.06Å; L100-L113 HydrophobicContact CD2-CD2 4.26Å; L100-L119 HydrophobicContact CB-CD1 3.82Å; L100-E121 PolarHBondContact N-O 2.91Å; L100-L122 HydrophobicContact CB-CD1 4.14Å; L100-L122 HydrophobicContact CD2-CD1 4.02Å; L100-L122 HydrophobicContact CG-CD1 4.07Å; L100-H123 PolarHBondContact O-N 2.9Å
101Y98.9Very high97.6Very high32 Ų3240.3 Ų40.313%0.12519%0.193CC..EExtended strand (participates in β ladder)trans-115115.1178.1-58.5-99.2000111.1L78 Y79 L80 Q81 K99 E121 H123L78-Y101 PolarHBondContact O-N 3.05Å; Y79-Y101 AromaticContact CD1-CD2 3.39Å; Y79-Y101 HydrophobicContact CD1-CD2 3.39Å; Y79-Y101 AromaticContact CD1-CE2 3.89Å; Y79-Y101 HydrophobicContact CD1-CE2 3.89Å; Y79-Y101 AromaticContact CD1-CG 3.85Å; Y79-Y101 HydrophobicContact CD1-CG 3.85Å; Y79-Y101 AromaticContact CE1-CD2 3.31Å; Y79-Y101 HydrophobicContact CE1-CD2 3.31Å; Y79-Y101 AromaticContact CE1-CE2 3.27Å; Y79-Y101 HydrophobicContact CE1-CE2 3.27Å; Y79-Y101 HydrophobicContact CE1-CG 4.03Å; Y79-Y101 AromaticContact CE1-CZ 3.98Å; Y79-Y101 HydrophobicContact CG-CD2 4.21Å; Y79-Y101 AromaticContact CZ-CE2 3.78Å; L80-Y101 CarbonylContact C-O 3.23Å; L80-Y101 WeakPolarHBondContact CA-O 3.5Å; L80-Y101 PolarHBondContact N-O 2.95Å; Q81-Y101 PolarHBondContact N-O 3.38Å; K99-Y101 HydrophobicContact CB-CD2 4.43Å; K99-Y101 HydrophobicContact CB-CE2 3.72Å; K99-Y101 HydrophobicContact CD-CE2 4.27Å; Y101-E121 PolarHBondContact OH-OE2 3.37Å; Y101-E121 VanDerWaalsContact OH-OE2 3.05Å; Y101-H123 HydrophobicContact CD1-CB 3.64Å; Y101-H123 AromaticContact CD1-CD2 3.4Å; Y101-H123 WeakPolarHBondContact CD1-CD2 3.2Å; Y101-H123 AromaticContact CD1-CG 3.49Å; Y101-H123 VanDerWaalsContact CD1-CG 3.49Å; Y101-H123 HydrophobicContact CE1-CB 4.29Å; Y101-H123 AromaticContact CE1-CD2 3.13Å; Y101-H123 WeakPolarHBondContact CE1-CD2 3.34Å; Y101-H123 AromaticContact CE1-CE1 4Å; Y101-H123 AromaticContact CE1-CG 3.62Å; Y101-H123 AromaticContact CE1-NE2 3.39Å; Y101-H123 WeakPolarHBondContact CE1-NE2 3.43Å; Y101-H123 HydrophobicContact CG-CB 4.3Å; Y101-H123 AromaticContact CZ-CD2 3.85Å
102L98.8Very high97.7Very high0 Ų041.2 Ų41.20%020%0.202CC..  trans-128.415.6-174.3-76.8166.4000112.5I66 L80 I85 M88 L100 N105 I107 H123 L124 Q127I66-L102 HydrophobicContact CD1-CD2 4.1Å; L80-L102 HydrophobicContact CB-CD2 3.74Å; L80-L102 HydrophobicContact CD1-CD2 3.83Å; L80-L102 HydrophobicContact CG-CD2 4.46Å; I85-L102 HydrophobicContact CD1-CD2 4Å; M88-L102 HydrophobicContact CE-CD1 3.72Å; M88-L102 HydrophobicContact CG-CD1 4.21Å; M88-L102 HydrophobicContact SD-CD1 3.95Å; L100-L102 HydrophobicContact CD1-CD1 3.99Å; L100-L102 HydrophobicContact CD1-CG 3.96Å; L100-L102 HydrophobicContact CD2-CD1 3.75Å; L100-L102 HydrophobicContact CG-CD1 3.75Å; L100-L102 HydrophobicContact CG-CG 4.06Å; L102-N105 WeakPolarHBondContact O-CB 3.34Å; L102-N105 PolarHBondContact O-ND2 3.15Å; L102-I107 HydrophobicContact CB-CD1 4.02Å; L102-I107 HydrophobicContact CD1-CD1 4.01Å; L102-I107 HydrophobicContact CD2-CD1 4.03Å; L102-I107 HydrophobicContact CG-CD1 4.26Å; L102-H123 CarbonylContact C-O 3.29Å; L102-H123 WeakPolarHBondContact CA-O 3.13Å; L102-H123 PolarHBondContact N-O 3.4Å; L102-L124 HydrophobicContact CB-CD2 3.88Å; L102-L124 HydrophobicContact CD1-CD2 4.22Å; L102-Q127 PolarHBondContact O-NE2 2.8Å
103S98.7Very high97.8Very high7 Ų738.4 Ų38.45%0.04918%0.183CC..THydrogen-bonded Turntrans-62.2150.9-178.8550000113.8Q81 N82 N105 H123 E125Q81-S103 CarbonylContact C-O 3.08Å; Q81-S103 WeakPolarHBondContact CA-O 3.49Å; Q81-S103 WeakPolarHBondContact CG-OG 3.4Å; N82-S103 PolarHBondContact N-O 3.41Å; S103-N105 VanDerWaalsContact C-N 3.29Å; S103-N105 PolarHBondContact O-N 3.42Å; S103-H123 PolarHBondContact N-O 2.85Å; S103-E125 CarbonylContact C-O 3.55Å; S103-E125 WeakPolarHBondContact CA-O 3.27Å; S103-E125 WeakPolarHBondContact CB-O 3.43Å; S103-E125 WeakPolarHBondContact CB-OE1 2.99Å; S103-E125 PolarHBondContact OG-OE1 3.49Å
104R98.6Very high98Very high124 Ų12439.4 Ų39.447%0.46819%0.185SC..THydrogen-bonded Turntrans5938.2-178.6-57.3172.5178.5-93.53113.5N82 E125 N126 Q128N82-R104 VanDerWaalsContact OD1-CB 3.26Å; N82-R104 WeakPolarHBondContact OD1-CB 3.22Å; N82-R104 WeakPolarHBondContact OD1-CD 3.38Å; R104-E125 PolarHBondContact N-O 3.32Å; R104-N126 WeakPolarHBondContact CA-O 3.31Å; R104-N126 HydrophobicContact CG-CB 3.93Å; R104-N126 PolarHBondContact N-O 2.93Å; R104-Q128 PolarHBondContact O-NE2 2.9Å
105N98.8Very high98Very high0 Ų043.7 Ų43.70%021%0.205CC..SBendtrans-102-156.7166.1-81.6-76000110L80 N83 N84 I85 L102 S103 I107 Q127 Q128L80-N105 PolarHBondContact O-ND2 2.82Å; N83-N105 VanDerWaalsContact CA-OD1 3.31Å; N83-N105 WeakPolarHBondContact CA-OD1 3.4Å; N83-N105 WeakPolarHBondContact CB-OD1 3.33Å; N83-N105 PolarHBondContact N-OD1 3.19Å; N83-N105 PolarHBondContact O-OD1 3.15Å; N84-N105 PolarHBondContact N-OD1 2.91Å; I85-N105 HydrophobicContact CB-CB 4.21Å; I85-N105 VanDerWaalsContact CB-OD1 3.3Å; I85-N105 WeakPolarHBondContact CB-OD1 3.05Å; I85-N105 WeakPolarHBondContact CG1-OD1 3.25Å; I85-N105 PolarHBondContact N-OD1 2.93Å; L102-N105 WeakPolarHBondContact O-CB 3.34Å; L102-N105 PolarHBondContact O-ND2 3.15Å; S103-N105 VanDerWaalsContact C-N 3.29Å; S103-N105 PolarHBondContact O-N 3.42Å; N105-I107 HydrophobicContact CB-CD1 4.14Å; N105-I107 HydrophobicContact CB-CG1 4.23Å; N105-Q127 VanDerWaalsContact CB-OE1 3.23Å; N105-Q127 PolarHBondContact O-OE1 3.12Å; N105-Q128 WeakPolarHBondContact O-CB 3.48Å; N105-Q128 PolarHBondContact O-N 2.83Å
106R98.3Very high98.1Very high110 Ų11038.2 Ų38.242%0.41518%0.182SC..  trans-12934.3179.9-63.8176-176.7-152.1-3.1110.8I85 T86 Q128I85-R106 CarbonylContact O-C 3.26Å; I85-R106 VanDerWaalsContact O-C 3.26Å; I85-R106 WeakPolarHBondContact O-CA 3.37Å; I85-R106 PolarHBondContact O-N 3.06Å; T86-R106 HydrophobicContact CG2-CB 4.01Å; R106-Q128 HydrophobicContact CG-CB 4.06Å
107I98.4Very high97.8Very high0 Ų036.7 Ų36.70%019%0.186CC..  trans-80.9121-176.9-63.3162.7000108.4I85 M88 L102 N105 V109 L124 Q127 L129 L135I85-I107 HydrophobicContact CG2-CD1 4.23Å; I85-I107 HydrophobicContact CG2-CG1 4.19Å; I85-I107 PolarHBondContact O-N 2.93Å; M88-I107 HydrophobicContact CG-CD1 3.78Å; M88-I107 HydrophobicContact CG-CG1 4.28Å; M88-I107 HydrophobicContact CG-CG2 3.9Å; M88-I107 HydrophobicContact SD-CD1 4.16Å; M88-I107 HydrophobicContact SD-CG2 3.91Å; L102-I107 HydrophobicContact CB-CD1 4.02Å; L102-I107 HydrophobicContact CD1-CD1 4.01Å; L102-I107 HydrophobicContact CD2-CD1 4.03Å; L102-I107 HydrophobicContact CG-CD1 4.26Å; N105-I107 HydrophobicContact CB-CD1 4.14Å; N105-I107 HydrophobicContact CB-CG1 4.23Å; I107-V109 WeakPolarHBondContact CG2-O 3.44Å; I107-L124 HydrophobicContact CD1-CD2 4.45Å; I107-Q127 HydrophobicContact CB-CG 4.33Å; I107-Q127 WeakPolarHBondContact O-CB 3.47Å; I107-Q127 VanDerWaalsContact O-CG 3.3Å; I107-Q127 WeakPolarHBondContact O-CG 3.11Å; I107-L129 WeakPolarHBondContact O-CD2 3.35Å; I107-L135 HydrophobicContact CG2-CD1 4.43Å; I107-L135 WeakPolarHBondContact O-CD1 3.49Å
108S97.6Very high97.7Very high44 Ų4438.1 Ų38.131%0.30820%0.2SC..  trans-97.2-23.6176.255.30000113.4L135 L136S108-L135 WeakPolarHBondContact O-CA 3.37Å; S108-L136 PolarHBondContact O-N 3.41Å
109V98.2Very high97.7Very high43 Ų4336.8 Ų36.826%0.26119%0.191SC..EExtended strand (participates in β ladder)trans-129.3129.4179.1-171.40000109.5I107 E111 L136I107-V109 WeakPolarHBondContact CG2-O 3.44Å; V109-E111 HydrophobicContact CG1-CB 4.32Å; V109-E111 PolarHBondContact O-N 3.39Å; V109-L136 WeakPolarHBondContact CA-O 3.34Å; V109-L136 HydrophobicContact CG2-CB 4.35Å
110V98.2Very high97.7Very high0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-87.8103.7173-176.70000108.4M88 L113 L122 L124 L135 L136 F137 D138M88-V110 HydrophobicContact CE-CG1 4.18Å; M88-V110 HydrophobicContact SD-CB 4.35Å; M88-V110 HydrophobicContact SD-CG1 4.04Å; M88-V110 HydrophobicContact SD-CG2 4.5Å; V110-L113 HydrophobicContact CG1-CD1 3.62Å; V110-L122 HydrophobicContact CG1-CD2 4.3Å; V110-L124 HydrophobicContact CB-CD1 4.44Å; V110-L124 HydrophobicContact CG1-CD1 4.03Å; V110-L124 HydrophobicContact CG2-CD1 3.48Å; V110-L124 VanDerWaalsContact CG2-CD1 3.48Å; V110-L124 HydrophobicContact CG2-CD2 4.5Å; V110-L135 HydrophobicContact CG2-CD1 3.86Å; V110-L135 HydrophobicContact CG2-CD2 3.94Å; V110-L135 HydrophobicContact CG2-CG 3.96Å; V110-L136 PolarHBondContact N-O 2.81Å; V110-F137 HydrophobicContact CB-CD1 3.66Å; V110-F137 HydrophobicContact CB-CE1 4.16Å; V110-F137 HydrophobicContact CG1-CD1 4.12Å; V110-F137 HydrophobicContact CG2-CD1 3.7Å; V110-F137 HydrophobicContact CG2-CE1 3.71Å; V110-D138 WeakPolarHBondContact O-CB 3.08Å; V110-D138 PolarHBondContact O-N 2.96Å
111E97.9Very high97.7Very high57 Ų5742 Ų4227%0.26621%0.214SC..  trans-140.8175.5-173.665.4-170.8148.600111.5H87 M88 V109 L113 D138 S141H87-E111 IonicContact CD2-OE1 3.86Å; M88-E111 HydrophobicContact CB-CG 4.3Å; M88-E111 WeakPolarHBondContact CB-O 3.46Å; V109-E111 HydrophobicContact CG1-CB 4.32Å; V109-E111 PolarHBondContact O-N 3.39Å; E111-L113 VanDerWaalsContact C-N 3.34Å; E111-L113 PolarHBondContact O-N 3.3Å; E111-D138 HydrophobicContact CB-CB 4.01Å; E111-S141 VanDerWaalsContact C-OG 3.26Å; E111-S141 WeakPolarHBondContact CA-OG 3.49Å
112G96.8Very high97.7Very high19 Ų1940.5 Ų40.520%0.19621%0.208CC..  trans72.322.3173.900000114.9E114 S141G112-E114 WeakPolarHBondContact CA-OE2 3.3Å; G112-S141 PolarHBondContact N-OG 3.47Å
113L97.6Very high97.7Very high0 Ų041.8 Ų41.80%021%0.214CC..  trans-102.24.6-176.7-56.3177000113.4M88 L91 L100 V110 E111 E115 L116 L122 S141 L145M88-L113 HydrophobicContact CE-CD1 3.9Å; M88-L113 HydrophobicContact CE-CD2 3.59Å; M88-L113 HydrophobicContact CE-CG 3.98Å; L91-L113 HydrophobicContact CD1-CD2 3.95Å; L100-L113 HydrophobicContact CD2-CD2 4.26Å; V110-L113 HydrophobicContact CG1-CD1 3.62Å; E111-L113 VanDerWaalsContact C-N 3.34Å; E111-L113 PolarHBondContact O-N 3.3Å; L113-E115 PolarHBondContact O-N 3.49Å; L113-L116 HydrophobicContact CD2-CD1 3.59Å; L113-L116 HydrophobicContact CD2-CG 4.47Å; L113-L116 WeakPolarHBondContact O-CB 3.16Å; L113-L116 PolarHBondContact O-N 2.91Å; L113-L122 HydrophobicContact CD1-CD2 3.99Å; L113-S141 PolarHBondContact N-OG 3.46Å; L113-L145 HydrophobicContact CB-CD1 4.25Å; L113-L145 HydrophobicContact CB-CG 4.41Å; L113-L145 HydrophobicContact CD1-CD1 3.69Å
114E96.6Very high97.7Very high83 Ų8341.5 Ų41.539%0.38821%0.212SC..THydrogen-bonded Turntrans-61-32.6-170-59.573.2-157.200113G112 M140 S141G112-E114 WeakPolarHBondContact CA-OE2 3.3Å; E114-M140 HydrophobicContact CG-CB 4.24Å; E114-S141 PolarHBondContact OE1-OG 2.97Å
115E96.6Very high97.7Very high90 Ų9037.3 Ų37.342%0.42120%0.198SC..THydrogen-bonded Turntrans-93.51.4-179.7-65.7-71145.300113.1S92 K95 L113 S117S92-E115 WeakPolarHBondContact O-CB 3.26Å; K95-E115 IonicContact NZ-OE2 2.73Å; K95-E115 PolarHBondContact NZ-OE2 3.38Å; L113-E115 PolarHBondContact O-N 3.49Å; E115-S117 PolarHBondContact O-N 2.84Å
116L97.1Very high97.7Very high1 Ų139.2 Ų39.21%0.00521%0.208CC..  trans-98.244.9-175.9-55.9-166.8000112.9L91 L94 L97 L113 G118 L119 L145L91-L116 HydrophobicContact CB-CD1 4.12Å; L91-L116 HydrophobicContact CD1-CD1 4.4Å; L91-L116 WeakPolarHBondContact O-CD2 2.84Å; L94-L116 HydrophobicContact CB-CD2 4.09Å; L94-L116 WeakPolarHBondContact O-CD2 3.43Å; L97-L116 HydrophobicContact CB-CD2 4.48Å; L97-L116 HydrophobicContact CD2-CD1 4.07Å; L113-L116 HydrophobicContact CD2-CD1 3.59Å; L113-L116 HydrophobicContact CD2-CG 4.47Å; L113-L116 WeakPolarHBondContact O-CB 3.16Å; L113-L116 PolarHBondContact O-N 2.91Å; L116-G118 PolarHBondContact O-N 3.48Å; L116-L119 HydrophobicContact CB-CB 4.17Å; L116-L119 VanDerWaalsContact O-CB 3.27Å; L116-L119 WeakPolarHBondContact O-CB 3.3Å; L116-L119 PolarHBondContact O-N 2.9Å; L116-L145 WeakPolarHBondContact O-CD2 3.46Å
117S92.6Very high97.7Very high86 Ų8634.4 Ų34.460%0.60119%0.191SC*.THydrogen-bonded Turntrans-61.3-8.6-179.460.10000115.1E115 S148E115-S117 PolarHBondContact O-N 2.84Å; S117-S148 WeakPolarHBondContact O-CB 3.12Å; S117-S148 PolarHBondContact O-OG 2.99Å
118G96.4Very high97.6Very high29 Ų2939 Ų3930%0.29921%0.212SC..THydrogen-bonded Turntrans-95.4-1.7173.500000114.9L97 L116 K120L97-G118 CarbonylContact O-C 3.4Å; L97-G118 VanDerWaalsContact O-C 3.26Å; L116-G118 PolarHBondContact O-N 3.48Å; G118-K120 PolarHBondContact O-N 3.42Å
119L98.7Very high97.5Very high0 Ų038.3 Ų38.30%020%0.204CC..  trans-72.7123.8-173.4-171.573.2000110.7L97 L100 L116 L122 L145 S148 L149L97-L119 HydrophobicContact CD2-CD1 4.19Å; L97-L119 HydrophobicContact CG-CD1 4.17Å; L97-L119 VanDerWaalsContact O-CA 3.3Å; L97-L119 WeakPolarHBondContact O-CA 3.19Å; L97-L119 PolarHBondContact O-N 3.15Å; L100-L119 HydrophobicContact CB-CD1 3.82Å; L116-L119 HydrophobicContact CB-CB 4.17Å; L116-L119 VanDerWaalsContact O-CB 3.27Å; L116-L119 WeakPolarHBondContact O-CB 3.3Å; L116-L119 PolarHBondContact O-N 2.9Å; L119-L122 HydrophobicContact CD2-CB 4.29Å; L119-L122 HydrophobicContact CD2-CD1 4.49Å; L119-L145 HydrophobicContact CB-CD2 3.84Å; L119-L145 HydrophobicContact CD2-CD1 4.23Å; L119-L145 HydrophobicContact CD2-CD2 4.07Å; L119-S148 CarbonylContact O-C 3.5Å; L119-S148 VanDerWaalsContact O-C 3.23Å; L119-S148 WeakPolarHBondContact O-CB 3.42Å; L119-S148 PolarHBondContact O-OG 3.27Å; L119-L149 HydrophobicContact CD2-CD1 4.39Å; L119-L149 HydrophobicContact CG-CD1 4.31Å; L119-L149 WeakPolarHBondContact O-CA 3.37Å; L119-L149 PolarHBondContact O-N 3.3Å
120K98.8Very high97.3Very high114 Ų11442.4 Ų42.450%0.49622%0.221SC..  trans-108.9-32.7-176.5-61.9-169.9176.5-169.20113.4S98 G118 C150 V151S98-K120 WeakPolarHBondContact O-CA 3.08Å; S98-K120 PolarHBondContact O-N 2.88Å; G118-K120 PolarHBondContact O-N 3.42Å; K120-C150 PolarHBondContact O-N 3.31Å; K120-V151 PolarHBondContact O-N 3.37Å
121E98.9Very high96.9Very high42 Ų4248.3 Ų48.320%0.19626%0.259CS..EExtended strand (participates in β ladder)trans-128.7122.6-177.6-55.2-175.5-157.700110.8S98 K99 L100 Y101 V151S98-E121 PolarHBondContact O-N 3.36Å; K99-E121 WeakPolarHBondContact CA-O 3.48Å; K99-E121 HydrophobicContact CB-CB 4.3Å; K99-E121 HydrophobicContact CD-CB 4.46Å; K99-E121 HydrophobicContact CD-CG 4.31Å; K99-E121 WeakPolarHBondContact CD-OE2 3.45Å; K99-E121 WeakPolarHBondContact CE-OE1 3.41Å; K99-E121 HydrophobicContact CG-CB 4.15Å; K99-E121 HydrophobicContact CG-CG 4.25Å; K99-E121 VanDerWaalsContact NZ-CD 3.28Å; K99-E121 IonicContact NZ-OE1 2.68Å; K99-E121 PolarHBondContact NZ-OE1 3.49Å; K99-E121 IonicContact NZ-OE2 3.24Å; K99-E121 PolarHBondContact NZ-OE2 3.47Å; L100-E121 PolarHBondContact N-O 2.91Å; Y101-E121 PolarHBondContact OH-OE2 3.37Å; Y101-E121 VanDerWaalsContact OH-OE2 3.05Å; E121-V151 WeakPolarHBondContact CA-O 3.37Å; E121-V151 HydrophobicContact CB-CB 4.2Å; E121-V151 HydrophobicContact CG-CB 3.91Å; E121-V151 HydrophobicContact CG-CG2 3.97Å
122L98.9Very high96.6Very high1 Ų148.8 Ų48.81%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-126.6119.3176.7-179.457.5000110.4L100 V110 L113 L119 L124 L145 L149 V151 L152 N153L100-L122 HydrophobicContact CB-CD1 4.14Å; L100-L122 HydrophobicContact CD2-CD1 4.02Å; L100-L122 HydrophobicContact CG-CD1 4.07Å; V110-L122 HydrophobicContact CG1-CD2 4.3Å; L113-L122 HydrophobicContact CD1-CD2 3.99Å; L119-L122 HydrophobicContact CD2-CB 4.29Å; L119-L122 HydrophobicContact CD2-CD1 4.49Å; L122-L124 HydrophobicContact CD1-CD1 4.12Å; L122-L124 HydrophobicContact CD1-CD2 4.47Å; L122-L124 HydrophobicContact CD1-CG 4.02Å; L122-L124 HydrophobicContact CD2-CD1 3.75Å; L122-L124 HydrophobicContact CG-CD1 3.75Å; L122-L124 HydrophobicContact CG-CG 4.03Å; L122-L145 HydrophobicContact CD2-CD1 4.41Å; L122-L149 HydrophobicContact CB-CD1 3.8Å; L122-V151 PolarHBondContact N-O 3.06Å; L122-L152 HydrophobicContact CB-CD1 4.11Å; L122-L152 HydrophobicContact CD2-CD1 4.09Å; L122-L152 HydrophobicContact CG-CD1 4.11Å; L122-L152 WeakPolarHBondContact O-CA 3.4Å; L122-N153 PolarHBondContact O-N 3.4Å
123H98.9Very high96.6Very high28 Ų2851.8 Ų51.813%0.1329%0.291CS..EExtended strand (participates in β ladder)trans-117.2114.6-179.2-70.6-96.3000110.9L100 Y101 L102 S103 E125L100-H123 PolarHBondContact O-N 2.9Å; Y101-H123 HydrophobicContact CD1-CB 3.64Å; Y101-H123 AromaticContact CD1-CD2 3.4Å; Y101-H123 WeakPolarHBondContact CD1-CD2 3.2Å; Y101-H123 AromaticContact CD1-CG 3.49Å; Y101-H123 VanDerWaalsContact CD1-CG 3.49Å; Y101-H123 HydrophobicContact CE1-CB 4.29Å; Y101-H123 AromaticContact CE1-CD2 3.13Å; Y101-H123 WeakPolarHBondContact CE1-CD2 3.34Å; Y101-H123 AromaticContact CE1-CE1 4Å; Y101-H123 AromaticContact CE1-CG 3.62Å; Y101-H123 AromaticContact CE1-NE2 3.39Å; Y101-H123 WeakPolarHBondContact CE1-NE2 3.43Å; Y101-H123 HydrophobicContact CG-CB 4.3Å; Y101-H123 AromaticContact CZ-CD2 3.85Å; L102-H123 CarbonylContact C-O 3.29Å; L102-H123 WeakPolarHBondContact CA-O 3.13Å; L102-H123 PolarHBondContact N-O 3.4Å; S103-H123 PolarHBondContact N-O 2.85Å; H123-E125 WeakPolarHBondContact CB-OE2 3.06Å; H123-E125 IonicContact ND1-OE2 2.76Å
124L98.8Very high96.5Very high0 Ų054.6 Ų54.60%030%0.304CS..  trans-127.514.8-173.3-72.6163.5000112M88 L102 I107 V110 L122 Q127 L135 N153 I154 N157M88-L124 HydrophobicContact SD-CD2 4.12Å; L102-L124 HydrophobicContact CB-CD2 3.88Å; L102-L124 HydrophobicContact CD1-CD2 4.22Å; I107-L124 HydrophobicContact CD1-CD2 4.45Å; V110-L124 HydrophobicContact CB-CD1 4.44Å; V110-L124 HydrophobicContact CG1-CD1 4.03Å; V110-L124 HydrophobicContact CG2-CD1 3.48Å; V110-L124 VanDerWaalsContact CG2-CD1 3.48Å; V110-L124 HydrophobicContact CG2-CD2 4.5Å; L122-L124 HydrophobicContact CD1-CD1 4.12Å; L122-L124 HydrophobicContact CD1-CD2 4.47Å; L122-L124 HydrophobicContact CD1-CG 4.02Å; L122-L124 HydrophobicContact CD2-CD1 3.75Å; L122-L124 HydrophobicContact CG-CD1 3.75Å; L122-L124 HydrophobicContact CG-CG 4.03Å; L124-Q127 WeakPolarHBondContact O-CG 3.46Å; L124-Q127 PolarHBondContact O-NE2 3.5Å; L124-L135 HydrophobicContact CB-CD2 4.35Å; L124-L135 HydrophobicContact CD1-CD2 4.43Å; L124-N153 WeakPolarHBondContact CA-O 3.08Å; L124-N153 PolarHBondContact N-O 3.21Å; L124-I154 HydrophobicContact CB-CG2 4.38Å; L124-I154 HydrophobicContact CD1-CG2 4.44Å; L124-N157 PolarHBondContact O-ND2 3.43Å
125E98.6Very high96.6Very high36 Ų3650.7 Ų50.717%0.16829%0.286CS..  trans-62.5144.6-174.166.7-77.917500113.8S103 R104 H123 N153 N155S103-E125 CarbonylContact C-O 3.55Å; S103-E125 WeakPolarHBondContact CA-O 3.27Å; S103-E125 WeakPolarHBondContact CB-O 3.43Å; S103-E125 WeakPolarHBondContact CB-OE1 2.99Å; S103-E125 PolarHBondContact OG-OE1 3.49Å; R104-E125 PolarHBondContact N-O 3.32Å; H123-E125 WeakPolarHBondContact CB-OE2 3.06Å; H123-E125 IonicContact ND1-OE2 2.76Å; E125-N153 PolarHBondContact N-O 3.12Å; E125-N155 CarbonylContact C-O 3.41Å; E125-N155 WeakPolarHBondContact CA-O 3.38Å; E125-N155 HydrophobicContact CB-CB 3.85Å; E125-N155 WeakPolarHBondContact CB-O 3.36Å
126N98.3Very high96.7Very high41 Ų4150.6 Ų50.622%0.21929%0.288CS..  trans59.250175.7-47.5-85.2000113.9R104 Q128 N155 N156R104-N126 WeakPolarHBondContact CA-O 3.31Å; R104-N126 HydrophobicContact CG-CB 3.93Å; R104-N126 PolarHBondContact N-O 2.93Å; N126-Q128 PolarHBondContact O-N 3.45Å; N126-N155 PolarHBondContact N-O 3.1Å; N126-N156 WeakPolarHBondContact CA-O 3.5Å; N126-N156 WeakPolarHBondContact OD1-CB 3.36Å; N126-N156 PolarHBondContact OD1-ND2 3.23Å
127Q98.3Very high96.7Very high9 Ų951.8 Ų51.84%0.04229%0.293CS..  trans-63.2125.7164.6-58.4-53.5-44.600107.9L102 N105 I107 L124 L129 L135 N157L102-Q127 PolarHBondContact O-NE2 2.8Å; N105-Q127 VanDerWaalsContact CB-OE1 3.23Å; N105-Q127 PolarHBondContact O-OE1 3.12Å; I107-Q127 HydrophobicContact CB-CG 4.33Å; I107-Q127 WeakPolarHBondContact O-CB 3.47Å; I107-Q127 VanDerWaalsContact O-CG 3.3Å; I107-Q127 WeakPolarHBondContact O-CG 3.11Å; L124-Q127 WeakPolarHBondContact O-CG 3.46Å; L124-Q127 PolarHBondContact O-NE2 3.5Å; Q127-L129 HydrophobicContact CB-CD1 4.45Å; Q127-L129 HydrophobicContact CB-CD2 4.02Å; Q127-L129 HydrophobicContact CB-CG 3.9Å; Q127-L129 PolarHBondContact O-N 3.08Å; Q127-L135 HydrophobicContact CG-CD1 4.12Å; Q127-N157 WeakPolarHBondContact CB-OD1 3.47Å; Q127-N157 WeakPolarHBondContact CG-OD1 3.5Å; Q127-N157 PolarHBondContact N-OD1 2.93Å
128Q96.3Very high96.9Very high96 Ų9649.9 Ų49.945%0.44928%0.276SS..  trans-74.661.4-178.2-61.2167.13400109.6R104 N105 R106 N126R104-Q128 PolarHBondContact O-NE2 2.9Å; N105-Q128 WeakPolarHBondContact O-CB 3.48Å; N105-Q128 PolarHBondContact O-N 2.83Å; R106-Q128 HydrophobicContact CG-CB 4.06Å; N126-Q128 PolarHBondContact O-N 3.45Å
129L95.3Very high97Very high29 Ų2952.7 Ų52.715%0.15229%0.289CS..PPolyproline II helixtrans-69149-178.2-60.6175.9000110.3I107 Q127 D133 L135I107-L129 WeakPolarHBondContact O-CD2 3.35Å; Q127-L129 HydrophobicContact CB-CD1 4.45Å; Q127-L129 HydrophobicContact CB-CD2 4.02Å; Q127-L129 HydrophobicContact CB-CG 3.9Å; Q127-L129 PolarHBondContact O-N 3.08Å; L129-D133 HydrophobicContact CB-CB 4.18Å; L129-L135 HydrophobicContact CD1-CB 4.32Å
130E93.4Very high96.9Very high130 Ų13058.3 Ų58.361%0.60732%0.317SS*.PPolyproline II helixtrans-65.9153.4173.9-66.3-62153.300110.4G132 D133E130-G132 PolarHBondContact O-N 3.13Å; E130-G132 VanDerWaalsContact O-N 3.11Å; E130-D133 WeakPolarHBondContact O-CB 3.46Å; E130-D133 PolarHBondContact O-N 3.27Å
131P91.3Very high96.8Very high124 Ų12452.9 Ų52.981%0.80529%0.293SS*.THydrogen-bonded Turntrans-57.3119.9179.1-24.734.5000112
132G91.1Very high96.8Very high66 Ų6651 Ų5168%0.6828%0.284SS*.THydrogen-bonded Turntrans104.8-20.2-179.100000113.7E130E130-G132 PolarHBondContact O-N 3.13Å; E130-G132 VanDerWaalsContact O-N 3.11Å
133D95.6Very high96.7Very high82 Ų8255.9 Ų55.944%0.43931%0.31SS..  trans-79.3154.5176-69.1-16.3000111.5L129 E130 N158L129-D133 HydrophobicContact CB-CB 4.18Å; E130-D133 WeakPolarHBondContact O-CB 3.46Å; E130-D133 PolarHBondContact O-N 3.27Å; D133-N158 VanDerWaalsContact O-CB 3.29Å; D133-N158 WeakPolarHBondContact O-CB 3.39Å; D133-N158 PolarHBondContact O-ND2 2.8Å
134Q96.6Very high96.6Very high59 Ų5956.1 Ų56.128%0.27632%0.316SS..  trans-129.1156.3173.363.6177.2-25.700110.5L136 N158Q134-L136 HydrophobicContact CG-CD2 3.84Å; Q134-L136 HydrophobicContact CG-CG 4.45Å; Q134-L136 PolarHBondContact O-N 2.83Å; Q134-N158 HydrophobicContact CB-CB 4.15Å; Q134-N158 WeakPolarHBondContact CB-O 3.28Å
135L98.1Very high96.6Very high2 Ų256.1 Ų56.11%0.0132%0.316CS..  trans-72.2122.8171.9-173.972.9000109.4I107 S108 V110 L124 Q127 L129 F137 I154 N157 I159I107-L135 HydrophobicContact CG2-CD1 4.43Å; I107-L135 WeakPolarHBondContact O-CD1 3.49Å; S108-L135 WeakPolarHBondContact O-CA 3.37Å; V110-L135 HydrophobicContact CG2-CD1 3.86Å; V110-L135 HydrophobicContact CG2-CD2 3.94Å; V110-L135 HydrophobicContact CG2-CG 3.96Å; L124-L135 HydrophobicContact CB-CD2 4.35Å; L124-L135 HydrophobicContact CD1-CD2 4.43Å; Q127-L135 HydrophobicContact CG-CD1 4.12Å; L129-L135 HydrophobicContact CD1-CB 4.32Å; L135-F137 HydrophobicContact CD2-CE1 4.33Å; L135-F137 HydrophobicContact CD2-CZ 4.02Å; L135-I154 HydrophobicContact CD2-CG2 4.34Å; L135-N157 HydrophobicContact CB-CB 3.76Å; L135-N157 HydrophobicContact CD2-CB 4.17Å; L135-N157 PolarHBondContact N-O 3.07Å; L135-I159 HydrophobicContact CB-CD1 4.22Å; L135-I159 HydrophobicContact CB-CG1 4.11Å; L135-I159 HydrophobicContact CD2-CD1 4.29Å
136L98Very high96.5Very high88 Ų8855 Ų5546%0.46131%0.314SS..EExtended strand (participates in β ladder)trans-103.5160.3176.2-59.4175.7000110.4S108 V109 V110 Q134S108-L136 PolarHBondContact O-N 3.41Å; V109-L136 WeakPolarHBondContact CA-O 3.34Å; V109-L136 HydrophobicContact CG2-CB 4.35Å; V110-L136 PolarHBondContact N-O 2.81Å; Q134-L136 HydrophobicContact CG-CD2 3.84Å; Q134-L136 HydrophobicContact CG-CG 4.45Å; Q134-L136 PolarHBondContact O-N 2.83Å
137F98Very high96.4Very high25 Ų2561.8 Ų61.811%0.1134%0.344CS..EExtended strand (participates in β ladder)trans-122.2129.4177.6-60.7-84.5000109.6V110 L135 P139 I142 I154 I159 L165V110-F137 HydrophobicContact CB-CD1 3.66Å; V110-F137 HydrophobicContact CB-CE1 4.16Å; V110-F137 HydrophobicContact CG1-CD1 4.12Å; V110-F137 HydrophobicContact CG2-CD1 3.7Å; V110-F137 HydrophobicContact CG2-CE1 3.71Å; L135-F137 HydrophobicContact CD2-CE1 4.33Å; L135-F137 HydrophobicContact CD2-CZ 4.02Å; F137-P139 WeakPolarHBondContact O-CD 3.36Å; F137-I142 HydrophobicContact CB-CD1 4.21Å; F137-I142 HydrophobicContact CB-CG1 3.67Å; F137-I142 HydrophobicContact CD1-CD1 3.71Å; F137-I142 HydrophobicContact CD1-CG1 4.16Å; F137-I142 HydrophobicContact CG-CD1 4.27Å; F137-I142 HydrophobicContact CG-CG1 4.22Å; F137-I154 HydrophobicContact CE1-CG2 4.21Å; F137-I154 HydrophobicContact CZ-CD1 4.28Å; F137-I154 HydrophobicContact CZ-CG2 3.86Å; F137-I159 HydrophobicContact CE2-CD1 4.08Å; F137-I159 HydrophobicContact CZ-CD1 4.13Å; F137-L165 HydrophobicContact CB-CD2 4.49Å; F137-L165 HydrophobicContact CD1-CD2 3.96Å; F137-L165 HydrophobicContact CD2-CD2 3.95Å; F137-L165 HydrophobicContact CD2-CG 4.5Å; F137-L165 HydrophobicContact CE1-CD2 4.13Å; F137-L165 HydrophobicContact CE2-CD1 4.13Å; F137-L165 HydrophobicContact CE2-CD2 4.14Å; F137-L165 HydrophobicContact CE2-CG 4.43Å; F137-L165 HydrophobicContact CG-CD2 3.86Å; F137-L165 HydrophobicContact CZ-CD1 4.14Å; F137-L165 HydrophobicContact CZ-CD2 4.23Å
138D97.6Very high96.4Very high47 Ų4762.1 Ų62.125%0.25135%0.347SS..  trans-70.9127.8168.1172.973.1000109.7V110 E111 M140 S141 I142V110-D138 WeakPolarHBondContact O-CB 3.08Å; V110-D138 PolarHBondContact O-N 2.96Å; E111-D138 HydrophobicContact CB-CB 4.01Å; D138-M140 VanDerWaalsContact C-N 3.3Å; D138-M140 PolarHBondContact O-N 2.87Å; D138-M140 WeakPolarHBondContact OD2-CA 2.92Å; D138-M140 VanDerWaalsContact OD2-CB 3.28Å; D138-M140 WeakPolarHBondContact OD2-CB 3.02Å; D138-M140 PolarHBondContact OD2-N 2.96Å; D138-S141 PolarHBondContact O-N 3.02Å; D138-S141 PolarHBondContact OD2-N 2.94Å; D138-I142 PolarHBondContact O-N 2.86Å
139P97.4Very high96.6Very high87 Ų8757.6 Ų57.657%0.56533%0.326SS*.Hα-helixtrans-61.3-33.5-177.6-26.935.6000114.4F137 L143F137-P139 WeakPolarHBondContact O-CD 3.36Å; P139-L143 VanDerWaalsContact O-CB 3.26Å; P139-L143 WeakPolarHBondContact O-CB 3.06Å; P139-L143 PolarHBondContact O-N 3.23Å
140M96.9Very high96.7Very high119 Ų11957.4 Ų57.459%0.58633%0.327SS*.Hα-helixtrans-71.5-43.1-179.2-66.8-62.9-63.200110.8E114 D138 L143 A144E114-M140 HydrophobicContact CG-CB 4.24Å; D138-M140 VanDerWaalsContact C-N 3.3Å; D138-M140 PolarHBondContact O-N 2.87Å; D138-M140 WeakPolarHBondContact OD2-CA 2.92Å; D138-M140 VanDerWaalsContact OD2-CB 3.28Å; D138-M140 WeakPolarHBondContact OD2-CB 3.02Å; D138-M140 PolarHBondContact OD2-N 2.96Å; M140-L143 PolarHBondContact O-N 3.47Å; M140-A144 WeakPolarHBondContact O-CB 3.49Å; M140-A144 PolarHBondContact O-N 3Å
141S97.4Very high97Very high0 Ų052.3 Ų52.30%031%0.305CS..Hα-helixtrans-58.8-45.1173.1-83.20000112.1E111 G112 L113 E114 D138 A144 L145E111-S141 VanDerWaalsContact C-OG 3.26Å; E111-S141 WeakPolarHBondContact CA-OG 3.49Å; G112-S141 PolarHBondContact N-OG 3.47Å; L113-S141 PolarHBondContact N-OG 3.46Å; E114-S141 PolarHBondContact OE1-OG 2.97Å; D138-S141 PolarHBondContact O-N 3.02Å; D138-S141 PolarHBondContact OD2-N 2.94Å; S141-A144 PolarHBondContact O-N 3.27Å; S141-L145 WeakPolarHBondContact O-CG 3.35Å; S141-L145 PolarHBondContact O-N 3.03Å
142I97.8Very high97.3Very high3 Ų346.6 Ų46.62%0.01527%0.267CS..Hα-helixtrans-68.3-39.9177.6-66.6-53.3000112.2F137 D138 A144 L145 A146 L165 V167 L168F137-I142 HydrophobicContact CB-CD1 4.21Å; F137-I142 HydrophobicContact CB-CG1 3.67Å; F137-I142 HydrophobicContact CD1-CD1 3.71Å; F137-I142 HydrophobicContact CD1-CG1 4.16Å; F137-I142 HydrophobicContact CG-CD1 4.27Å; F137-I142 HydrophobicContact CG-CG1 4.22Å; D138-I142 PolarHBondContact O-N 2.86Å; I142-A144 VanDerWaalsContact C-N 3.31Å; I142-A144 PolarHBondContact O-N 3.3Å; I142-L145 PolarHBondContact O-N 3.07Å; I142-L145 VanDerWaalsContact O-N 3.16Å; I142-A146 PolarHBondContact O-N 2.63Å; I142-L165 HydrophobicContact CD1-CD2 3.89Å; I142-L165 HydrophobicContact CG1-CD2 4.06Å; I142-L165 HydrophobicContact CG2-CD2 4.21Å; I142-V167 HydrophobicContact CG2-CG2 3.51Å; I142-L168 HydrophobicContact CG2-CD1 4.41Å; I142-L168 HydrophobicContact CG2-CD2 4.02Å; I142-L168 HydrophobicContact CG2-CG 4.08Å
143L97.7Very high97.7Very high103 Ų10344.7 Ų44.754%0.53924%0.242SC..Hα-helixtrans-62.4-39.7177-177.461.9000111.9P139 M140 L145 A146P139-L143 VanDerWaalsContact O-CB 3.26Å; P139-L143 WeakPolarHBondContact O-CB 3.06Å; P139-L143 PolarHBondContact O-N 3.23Å; M140-L143 PolarHBondContact O-N 3.47Å; L143-L145 PolarHBondContact O-N 2.92Å; L143-A146 WeakPolarHBondContact O-CB 3.46Å; L143-A146 PolarHBondContact O-N 3.4Å; L143-A146 VanDerWaalsContact O-N 3.16Å
144A97.2Very high97.9Very high32 Ų3240.8 Ų40.826%0.26422%0.221SC..Hα-helixtrans-62.1-25.4177.200000113.4M140 S141 I142M140-A144 WeakPolarHBondContact O-CB 3.49Å; M140-A144 PolarHBondContact O-N 3Å; S141-A144 PolarHBondContact O-N 3.27Å; I142-A144 VanDerWaalsContact C-N 3.31Å; I142-A144 PolarHBondContact O-N 3.3Å
145L98.1Very high98Very high0 Ų039.3 Ų39.30%021%0.214CC..THydrogen-bonded Turntrans-93.4-4.7179.9-64-175.5000114.1L113 L116 L119 L122 S141 I142 L143 E147 S148 L149 L168L113-L145 HydrophobicContact CB-CD1 4.25Å; L113-L145 HydrophobicContact CB-CG 4.41Å; L113-L145 HydrophobicContact CD1-CD1 3.69Å; L116-L145 WeakPolarHBondContact O-CD2 3.46Å; L119-L145 HydrophobicContact CB-CD2 3.84Å; L119-L145 HydrophobicContact CD2-CD1 4.23Å; L119-L145 HydrophobicContact CD2-CD2 4.07Å; L122-L145 HydrophobicContact CD2-CD1 4.41Å; S141-L145 WeakPolarHBondContact O-CG 3.35Å; S141-L145 PolarHBondContact O-N 3.03Å; I142-L145 PolarHBondContact O-N 3.07Å; I142-L145 VanDerWaalsContact O-N 3.16Å; L143-L145 PolarHBondContact O-N 2.92Å; L145-E147 PolarHBondContact O-N 2.8Å; L145-E147 VanDerWaalsContact O-N 3.12Å; L145-S148 PolarHBondContact O-N 2.95Å; L145-S148 VanDerWaalsContact O-N 3.09Å; L145-L149 HydrophobicContact CB-CB 4.15Å; L145-L149 HydrophobicContact CD1-CD2 4.31Å; L145-L149 PolarHBondContact O-N 3.03Å; L145-L168 HydrophobicContact CB-CD2 3.98Å
146A97.2Very high98Very high14 Ų1442.3 Ų42.312%0.11623%0.23CC..THydrogen-bonded Turntrans-54.8-34.6-17200000114.1I142 L143 V167I142-A146 PolarHBondContact O-N 2.63Å; L143-A146 WeakPolarHBondContact O-CB 3.46Å; L143-A146 PolarHBondContact O-N 3.4Å; L143-A146 VanDerWaalsContact O-N 3.16Å; A146-V167 HydrophobicContact CB-CB 4.35Å; A146-V167 HydrophobicContact CB-CG2 4.32Å; A146-V167 WeakPolarHBondContact CB-O 3.33Å
147E96.3Very high98Very high183 Ų18338.1 Ų38.186%0.85521%0.209SC*.THydrogen-bonded Turntrans-1011.5-176.5-60.1-171.1175.200114.1L145L145-E147 PolarHBondContact O-N 2.8Å; L145-E147 VanDerWaalsContact O-N 3.12Å
148S98Very high98Very high15 Ų1539.2 Ų39.211%0.10522%0.216CC..THydrogen-bonded Turntrans-127.4-32.1-172.273.60000114.8S117 L119 L145 C150S117-S148 WeakPolarHBondContact O-CB 3.12Å; S117-S148 PolarHBondContact O-OG 2.99Å; L119-S148 CarbonylContact O-C 3.5Å; L119-S148 VanDerWaalsContact O-C 3.23Å; L119-S148 WeakPolarHBondContact O-CB 3.42Å; L119-S148 PolarHBondContact O-OG 3.27Å; L145-S148 PolarHBondContact O-N 2.95Å; L145-S148 VanDerWaalsContact O-N 3.09Å; S148-C150 PolarHBondContact O-N 2.87Å; S148-C150 PolarHBondContact O-SG 3.21Å
149L98.7Very high98Very high1 Ų137 Ų371%0.00520%0.204CC..  trans-79.6117.5-169.4-165.273.1000111.7L119 L122 L145 L152 L168 E170 L171L119-L149 HydrophobicContact CD2-CD1 4.39Å; L119-L149 HydrophobicContact CG-CD1 4.31Å; L119-L149 WeakPolarHBondContact O-CA 3.37Å; L119-L149 PolarHBondContact O-N 3.3Å; L122-L149 HydrophobicContact CB-CD1 3.8Å; L145-L149 HydrophobicContact CB-CB 4.15Å; L145-L149 HydrophobicContact CD1-CD2 4.31Å; L145-L149 PolarHBondContact O-N 3.03Å; L149-L152 HydrophobicContact CD2-CB 4.03Å; L149-L152 HydrophobicContact CD2-CD1 4.31Å; L149-L152 HydrophobicContact CD2-CD2 4.34Å; L149-L152 HydrophobicContact CD2-CG 4.46Å; L149-L168 HydrophobicContact CB-CD2 4.46Å; L149-L168 HydrophobicContact CD2-CD1 4.07Å; L149-L168 HydrophobicContact CD2-CD2 4.39Å; L149-E170 CarbonylContact O-C 3.48Å; L149-E170 VanDerWaalsContact O-C 3.26Å; L149-L171 HydrophobicContact CD2-CD2 4.42Å; L149-L171 HydrophobicContact CG-CD2 4.37Å; L149-L171 PolarHBondContact O-N 2.97Å
150C98.8Very high97.9Very high26 Ų2637.7 Ų37.718%0.17620%0.199CC..  trans-103.2-30.5-179-56.40000112.5K120 S148 E170 E172 H173K120-C150 PolarHBondContact O-N 3.31Å; S148-C150 PolarHBondContact O-N 2.87Å; S148-C150 PolarHBondContact O-SG 3.21Å; C150-E170 WeakPolarHBondContact CA-O 3.12Å; C150-E172 PolarHBondContact O-N 3.46Å; C150-H173 PolarHBondContact O-N 3.07Å
151V98.9Very high97.9Very high23 Ų2335.5 Ų35.514%0.13919%0.19CC..EExtended strand (participates in β ladder)trans-128.4121.8-177.2-176.40000109.8K120 E121 L122 H173K120-V151 PolarHBondContact O-N 3.37Å; E121-V151 WeakPolarHBondContact CA-O 3.37Å; E121-V151 HydrophobicContact CB-CB 4.2Å; E121-V151 HydrophobicContact CG-CB 3.91Å; E121-V151 HydrophobicContact CG-CG2 3.97Å; L122-V151 PolarHBondContact N-O 3.06Å; V151-H173 WeakPolarHBondContact CA-O 3.2Å; V151-H173 HydrophobicContact CB-CB 4.45Å; V151-H173 HydrophobicContact CG1-CB 4.14Å; V151-H173 HydrophobicContact CG2-CB 4.1Å
152L98.9Very high97.8Very high3 Ų335.8 Ų35.82%0.01619%0.192CC..EExtended strand (participates in β ladder)trans-129.4122.6174.3178.559.6000110.3L122 L149 I154 L165 L168 L171 H173 F174 S175L122-L152 HydrophobicContact CB-CD1 4.11Å; L122-L152 HydrophobicContact CD2-CD1 4.09Å; L122-L152 HydrophobicContact CG-CD1 4.11Å; L122-L152 WeakPolarHBondContact O-CA 3.4Å; L149-L152 HydrophobicContact CD2-CB 4.03Å; L149-L152 HydrophobicContact CD2-CD1 4.31Å; L149-L152 HydrophobicContact CD2-CD2 4.34Å; L149-L152 HydrophobicContact CD2-CG 4.46Å; L152-I154 HydrophobicContact CD1-CG2 3.65Å; L152-I154 HydrophobicContact CD2-CG2 4.34Å; L152-I154 HydrophobicContact CG-CG2 3.89Å; L152-L165 HydrophobicContact CD2-CD1 4.04Å; L152-L168 HydrophobicContact CD2-CD1 3.93Å; L152-L171 HydrophobicContact CB-CD2 3.78Å; L152-H173 PolarHBondContact N-O 2.91Å; L152-F174 HydrophobicContact CB-CD2 4.14Å; L152-F174 HydrophobicContact CD2-CD2 4.17Å; L152-F174 HydrophobicContact CD2-CE2 3.89Å; L152-F174 HydrophobicContact CG-CD2 4.25Å; L152-F174 HydrophobicContact CG-CE2 4.25Å; L152-F174 WeakPolarHBondContact O-CA 3.39Å; L152-S175 PolarHBondContact O-N 2.84Å
153N98.9Very high97.7Very high27 Ų2742.9 Ų42.914%0.14422%0.223CC..EExtended strand (participates in β ladder)trans-118.2113.7173.5-170.2-20.2000110.3L122 L124 E125 N155L122-N153 PolarHBondContact O-N 3.4Å; L124-N153 WeakPolarHBondContact CA-O 3.08Å; L124-N153 PolarHBondContact N-O 3.21Å; E125-N153 PolarHBondContact N-O 3.12Å; N153-N155 WeakPolarHBondContact OD1-CB 3.46Å; N153-N155 PolarHBondContact OD1-N 2.96Å; N153-N155 VanDerWaalsContact OD1-N 3.13Å; N153-N155 PolarHBondContact OD1-ND2 3.37Å; N153-N155 PolarHBondContact OD1-OD1 2.85Å
154I98.7Very high97.6Very high0 Ų042.5 Ų42.50%022%0.221CC..  trans-125.828.3-17853.7160.9000110.7L124 L135 F137 L152 N157 I159 I162 L165 F174 S175 A176 N179L124-I154 HydrophobicContact CB-CG2 4.38Å; L124-I154 HydrophobicContact CD1-CG2 4.44Å; L135-I154 HydrophobicContact CD2-CG2 4.34Å; F137-I154 HydrophobicContact CE1-CG2 4.21Å; F137-I154 HydrophobicContact CZ-CD1 4.28Å; F137-I154 HydrophobicContact CZ-CG2 3.86Å; L152-I154 HydrophobicContact CD1-CG2 3.65Å; L152-I154 HydrophobicContact CD2-CG2 4.34Å; L152-I154 HydrophobicContact CG-CG2 3.89Å; I154-N157 VanDerWaalsContact C-ND2 3.33Å; I154-N157 PolarHBondContact O-ND2 3.31Å; I154-N157 VanDerWaalsContact O-ND2 3.15Å; I154-I159 HydrophobicContact CB-CD1 3.86Å; I154-I159 HydrophobicContact CD1-CD1 3.47Å; I154-I159 VanDerWaalsContact CD1-CD1 3.47Å; I154-I159 HydrophobicContact CG1-CD1 4.11Å; I154-I162 HydrophobicContact CD1-CG2 4.37Å; I154-L165 HydrophobicContact CD1-CD1 4.06Å; I154-F174 HydrophobicContact CD1-CE2 3.78Å; I154-F174 HydrophobicContact CD1-CZ 3.72Å; I154-F174 HydrophobicContact CG1-CE2 4.05Å; I154-F174 HydrophobicContact CG1-CZ 4.26Å; I154-S175 VanDerWaalsContact CG1-O 3.3Å; I154-S175 WeakPolarHBondContact CG1-O 3.13Å; I154-S175 PolarHBondContact N-O 3.18Å; I154-A176 HydrophobicContact CD1-CB 3.8Å; I154-A176 HydrophobicContact CG1-CB 3.78Å; I154-N179 PolarHBondContact O-ND2 2.99Å
155N98.7Very high97.6Very high27 Ų2741 Ų4114%0.14421%0.208CC..  trans-59.7143.7-178.4-68.6-11.8000112.1E125 N126 N153 N157 S175 A176 A177E125-N155 CarbonylContact C-O 3.41Å; E125-N155 WeakPolarHBondContact CA-O 3.38Å; E125-N155 HydrophobicContact CB-CB 3.85Å; E125-N155 WeakPolarHBondContact CB-O 3.36Å; N126-N155 PolarHBondContact N-O 3.1Å; N153-N155 WeakPolarHBondContact OD1-CB 3.46Å; N153-N155 PolarHBondContact OD1-N 2.96Å; N153-N155 VanDerWaalsContact OD1-N 3.13Å; N153-N155 PolarHBondContact OD1-ND2 3.37Å; N153-N155 PolarHBondContact OD1-OD1 2.85Å; N155-N157 PolarHBondContact O-ND2 3.1Å; N155-S175 VanDerWaalsContact CG-OG 3.29Å; N155-S175 PolarHBondContact ND2-OG 2.96Å; N155-S175 WeakPolarHBondContact OD1-CB 3.37Å; N155-S175 PolarHBondContact OD1-O 3.24Å; N155-S175 VanDerWaalsContact OD1-O 3.12Å; N155-S175 PolarHBondContact OD1-OG 3.49Å; N155-A176 WeakPolarHBondContact OD1-CA 3.36Å; N155-A176 PolarHBondContact OD1-N 2.72Å; N155-A176 VanDerWaalsContact OD1-N 3.08Å; N155-A177 CarbonylContact C-O 3.52Å; N155-A177 WeakPolarHBondContact CA-O 3.43Å; N155-A177 WeakPolarHBondContact CB-O 3.39Å; N155-A177 PolarHBondContact OD1-N 2.96Å
156N98.2Very high97.5Very high65 Ų6542.3 Ų42.335%0.34822%0.218SC..SBendtrans55.458172.3-168.842.9000113.5N126 A177 K178N126-N156 WeakPolarHBondContact CA-O 3.5Å; N126-N156 WeakPolarHBondContact OD1-CB 3.36Å; N126-N156 PolarHBondContact OD1-ND2 3.23Å; N156-A177 PolarHBondContact N-O 3.34Å; N156-K178 WeakPolarHBondContact CA-O 3.38Å; N156-K178 HydrophobicContact CB-CB 4.19Å
157N98.3Very high97.6Very high1 Ų144 Ų441%0.00523%0.227CC..SBendtrans-134.219-176.1-78-33.2000113.1L124 Q127 L135 I154 N155 I159 N179L124-N157 PolarHBondContact O-ND2 3.43Å; Q127-N157 WeakPolarHBondContact CB-OD1 3.47Å; Q127-N157 WeakPolarHBondContact CG-OD1 3.5Å; Q127-N157 PolarHBondContact N-OD1 2.93Å; L135-N157 HydrophobicContact CB-CB 3.76Å; L135-N157 HydrophobicContact CD2-CB 4.17Å; L135-N157 PolarHBondContact N-O 3.07Å; I154-N157 VanDerWaalsContact C-ND2 3.33Å; I154-N157 PolarHBondContact O-ND2 3.31Å; I154-N157 VanDerWaalsContact O-ND2 3.15Å; N155-N157 PolarHBondContact O-ND2 3.1Å; N157-I159 HydrophobicContact CB-CD1 3.93Å; N157-I159 HydrophobicContact CB-CG1 4.03Å; N157-I159 PolarHBondContact O-N 3.29Å; N157-I159 VanDerWaalsContact O-N 3.09Å; N157-N179 VanDerWaalsContact C-OD1 3.27Å; N157-N179 WeakPolarHBondContact CA-OD1 3.45Å; N157-N179 PolarHBondContact N-OD1 3.02Å
158N97.5Very high97.6Very high47 Ų4735.3 Ų35.325%0.25119%0.186SC..  trans55.821.9179-62.1-33.2000115.7D133 Q134 E160 N179 K180D133-N158 VanDerWaalsContact O-CB 3.29Å; D133-N158 WeakPolarHBondContact O-CB 3.39Å; D133-N158 PolarHBondContact O-ND2 2.8Å; Q134-N158 HydrophobicContact CB-CB 4.15Å; Q134-N158 WeakPolarHBondContact CB-O 3.28Å; N158-E160 PolarHBondContact O-N 3.37Å; N158-N179 PolarHBondContact N-OD1 3.34Å; N158-N179 VanDerWaalsContact N-OD1 3.07Å; N158-K180 HydrophobicContact CB-CD 4.44Å
159I97.7Very high97.5Very high2 Ų240.5 Ų40.51%0.0121%0.207CC..  trans-69.6130.3-174.4-63.9167.5000110.8L135 F137 I154 N157 D161 I162 N179 K180 L181L135-I159 HydrophobicContact CB-CD1 4.22Å; L135-I159 HydrophobicContact CB-CG1 4.11Å; L135-I159 HydrophobicContact CD2-CD1 4.29Å; F137-I159 HydrophobicContact CE2-CD1 4.08Å; F137-I159 HydrophobicContact CZ-CD1 4.13Å; I154-I159 HydrophobicContact CB-CD1 3.86Å; I154-I159 HydrophobicContact CD1-CD1 3.47Å; I154-I159 VanDerWaalsContact CD1-CD1 3.47Å; I154-I159 HydrophobicContact CG1-CD1 4.11Å; N157-I159 HydrophobicContact CB-CD1 3.93Å; N157-I159 HydrophobicContact CB-CG1 4.03Å; N157-I159 PolarHBondContact O-N 3.29Å; N157-I159 VanDerWaalsContact O-N 3.09Å; I159-D161 WeakPolarHBondContact CG2-O 3.39Å; I159-I162 HydrophobicContact CG2-CG2 4.02Å; I159-N179 HydrophobicContact CB-CB 4.14Å; I159-N179 PolarHBondContact N-OD1 2.83Å; I159-N179 WeakPolarHBondContact O-CB 3.49Å; I159-K180 CarbonylContact O-C 3.54Å; I159-K180 WeakPolarHBondContact O-CA 3.47Å; I159-K180 PolarHBondContact O-N 3.24Å; I159-L181 HydrophobicContact CG2-CD2 4.29Å; I159-L181 PolarHBondContact O-N 2.99Å
160E96.4Very high97.4Very high100 Ų10043.1 Ų43.147%0.46722%0.219SC..  trans-99.3-29.2-177.7-69.6-179.9-171.600113.3N158 K180N158-E160 PolarHBondContact O-N 3.37Å; E160-K180 HydrophobicContact CG-CB 3.7Å; E160-K180 HydrophobicContact CG-CD 3.91Å; E160-K180 HydrophobicContact CG-CG 4.5Å; E160-K180 WeakPolarHBondContact OE1-CD 3.36Å; E160-K180 IonicContact OE1-NZ 3.45Å; E160-K180 PolarHBondContact OE1-NZ 2.93Å
161D95.6Very high97.4Very high74 Ų7441.9 Ų41.940%0.39621%0.211SC..  trans-140.5162.3175.282.574.7000112I159 K163I159-D161 WeakPolarHBondContact CG2-O 3.39Å; D161-K163 PolarHBondContact OD1-N 2.96Å; D161-K163 VanDerWaalsContact OD1-N 3.15Å
162I96.9Very high97.4Very high5 Ų544.4 Ų44.43%0.02622%0.221CC..  trans-132.223.817856.5163.6000112I154 I159 D164 L165 F174 L181 L187 V190 F191 W194I154-I162 HydrophobicContact CD1-CG2 4.37Å; I159-I162 HydrophobicContact CG2-CG2 4.02Å; I162-D164 VanDerWaalsContact C-N 3.26Å; I162-D164 PolarHBondContact O-N 2.96Å; I162-L165 HydrophobicContact CB-CB 4.5Å; I162-L165 HydrophobicContact CB-CD1 4.07Å; I162-L165 HydrophobicContact CB-CG 4.37Å; I162-L165 HydrophobicContact CG2-CD1 4Å; I162-L165 WeakPolarHBondContact O-CB 3.43Å; I162-L165 PolarHBondContact O-N 3.46Å; I162-L165 VanDerWaalsContact O-N 3.07Å; I162-F174 HydrophobicContact CD1-CE1 3.99Å; I162-F174 HydrophobicContact CD1-CZ 4.11Å; I162-F174 HydrophobicContact CG2-CZ 4.19Å; I162-L181 HydrophobicContact CG2-CD2 3.99Å; I162-L187 HydrophobicContact CD1-CD2 3.57Å; I162-L187 HydrophobicContact CG1-CD2 3.57Å; I162-V190 HydrophobicContact CD1-CG1 4.09Å; I162-V190 HydrophobicContact CG1-CG1 4.47Å; I162-F191 HydrophobicContact CD1-CE1 3.58Å; I162-F191 HydrophobicContact CD1-CZ 3.85Å; I162-W194 HydrophobicContact CD1-CH2 4.25Å
163K95.7Very high97.4Very high153 Ų15347.4 Ų47.467%0.66523%0.234SC*.G310 helixtrans-63.6-37.7-171.7-173176.6-179.9178.20111.5D161 L165 S166D161-K163 PolarHBondContact OD1-N 2.96Å; D161-K163 VanDerWaalsContact OD1-N 3.15Å; K163-L165 PolarHBondContact O-N 2.92Å; K163-S166 WeakPolarHBondContact O-CB 3.26Å; K163-S166 PolarHBondContact O-N 3.22Å; K163-S166 VanDerWaalsContact O-N 3.1Å; K163-S166 PolarHBondContact O-OG 3.37Å
164D94.5Very high97.4Very high94 Ų9446.2 Ų46.250%0.50323%0.228SC..G310 helixtrans-65.5-21.9179.2-63.3-23.3000112.6I162 S166I162-D164 VanDerWaalsContact C-N 3.26Å; I162-D164 PolarHBondContact O-N 2.96Å; D164-S166 VanDerWaalsContact C-N 3.27Å; D164-S166 PolarHBondContact O-N 3.23Å
165L97.8Very high97.4Very high0 Ų047.2 Ų47.20%024%0.235CC..G310 helixtrans-80.3-7177.4-54.1-174.6000113.2F137 I142 L152 I154 I162 K163 V167 L168 F174 W194F137-L165 HydrophobicContact CB-CD2 4.49Å; F137-L165 HydrophobicContact CD1-CD2 3.96Å; F137-L165 HydrophobicContact CD2-CD2 3.95Å; F137-L165 HydrophobicContact CD2-CG 4.5Å; F137-L165 HydrophobicContact CE1-CD2 4.13Å; F137-L165 HydrophobicContact CE2-CD1 4.13Å; F137-L165 HydrophobicContact CE2-CD2 4.14Å; F137-L165 HydrophobicContact CE2-CG 4.43Å; F137-L165 HydrophobicContact CG-CD2 3.86Å; F137-L165 HydrophobicContact CZ-CD1 4.14Å; F137-L165 HydrophobicContact CZ-CD2 4.23Å; I142-L165 HydrophobicContact CD1-CD2 3.89Å; I142-L165 HydrophobicContact CG1-CD2 4.06Å; I142-L165 HydrophobicContact CG2-CD2 4.21Å; L152-L165 HydrophobicContact CD2-CD1 4.04Å; I154-L165 HydrophobicContact CD1-CD1 4.06Å; I162-L165 HydrophobicContact CB-CB 4.5Å; I162-L165 HydrophobicContact CB-CD1 4.07Å; I162-L165 HydrophobicContact CB-CG 4.37Å; I162-L165 HydrophobicContact CG2-CD1 4Å; I162-L165 WeakPolarHBondContact O-CB 3.43Å; I162-L165 PolarHBondContact O-N 3.46Å; I162-L165 VanDerWaalsContact O-N 3.07Å; K163-L165 PolarHBondContact O-N 2.92Å; L165-V167 PolarHBondContact O-N 2.87Å; L165-L168 HydrophobicContact CB-CD1 4.19Å; L165-L168 HydrophobicContact CD2-CD1 4.19Å; L165-L168 WeakPolarHBondContact O-CB 3.47Å; L165-L168 WeakPolarHBondContact O-CG 3.13Å; L165-L168 PolarHBondContact O-N 3.38Å; L165-F174 HydrophobicContact CD1-CE2 4.05Å; L165-F174 HydrophobicContact CD1-CZ 4.25Å; L165-W194 HydrophobicContact CB-CH2 4.46Å; L165-W194 HydrophobicContact CB-CZ2 3.97Å; L165-W194 WeakPolarHBondContact O-CZ2 3.2Å; L165-W194 PolarHBondContact O-NE1 3.07Å
166S96.8Very high97.4Very high29 Ų2946 Ų4620%0.20323%0.228CC..G310 helixtrans-56.6-23-178.557.90000114.5K163 D164 L168K163-S166 WeakPolarHBondContact O-CB 3.26Å; K163-S166 PolarHBondContact O-N 3.22Å; K163-S166 VanDerWaalsContact O-N 3.1Å; K163-S166 PolarHBondContact O-OG 3.37Å; D164-S166 VanDerWaalsContact C-N 3.27Å; D164-S166 PolarHBondContact O-N 3.23Å; S166-L168 VanDerWaalsContact C-N 3.28Å; S166-L168 PolarHBondContact O-N 3.03Å
167V97.6Very high97.4Very high50 Ų5043 Ų4330%0.30321%0.213SC..G310 helixtrans-71.8-18.3178.3-57.60000113.8I142 A146 L165 K169I142-V167 HydrophobicContact CG2-CG2 3.51Å; A146-V167 HydrophobicContact CB-CB 4.35Å; A146-V167 HydrophobicContact CB-CG2 4.32Å; A146-V167 WeakPolarHBondContact CB-O 3.33Å; L165-V167 PolarHBondContact O-N 2.87Å; V167-K169 VanDerWaalsContact C-N 3.29Å; V167-K169 PolarHBondContact O-N 3.13Å
168L97.8Very high97.4Very high0 Ų049.6 Ų49.60%024%0.242CC..  trans-77.569.4-176-58.5175.6000112.4I142 L145 L149 L152 L165 S166 E170 L171 W194I142-L168 HydrophobicContact CG2-CD1 4.41Å; I142-L168 HydrophobicContact CG2-CD2 4.02Å; I142-L168 HydrophobicContact CG2-CG 4.08Å; L145-L168 HydrophobicContact CB-CD2 3.98Å; L149-L168 HydrophobicContact CB-CD2 4.46Å; L149-L168 HydrophobicContact CD2-CD1 4.07Å; L149-L168 HydrophobicContact CD2-CD2 4.39Å; L152-L168 HydrophobicContact CD2-CD1 3.93Å; L165-L168 HydrophobicContact CB-CD1 4.19Å; L165-L168 HydrophobicContact CD2-CD1 4.19Å; L165-L168 WeakPolarHBondContact O-CB 3.47Å; L165-L168 WeakPolarHBondContact O-CG 3.13Å; L165-L168 PolarHBondContact O-N 3.38Å; S166-L168 VanDerWaalsContact C-N 3.28Å; S166-L168 PolarHBondContact O-N 3.03Å; L168-E170 PolarHBondContact O-N 3.03Å; L168-L171 HydrophobicContact CB-CD1 3.63Å; L168-L171 HydrophobicContact CB-CG 3.85Å; L168-L171 HydrophobicContact CD1-CD1 3.99Å; L168-L171 HydrophobicContact CG-CD1 4.49Å; L168-L171 WeakPolarHBondContact O-CG 3.4Å; L168-L171 PolarHBondContact O-N 3.02Å; L168-W194 PolarHBondContact O-NE1 2.89Å
169K94.8Very high97.4Very high124 Ų12447.8 Ų47.854%0.53923%0.232SC..THydrogen-bonded Turntrans-71.5-16.5-171.5-66.3173.5-174.3174.40114.5V167 L171V167-K169 VanDerWaalsContact C-N 3.29Å; V167-K169 PolarHBondContact O-N 3.13Å; K169-L171 VanDerWaalsContact C-N 3.33Å
170E97.8Very high97.4Very high56 Ų5651.3 Ų51.326%0.26225%0.247SC..THydrogen-bonded Turntrans-87.10.1-180-64.8-59.9123.900113.8L149 C150 L168 E172 K196L149-E170 CarbonylContact O-C 3.48Å; L149-E170 VanDerWaalsContact O-C 3.26Å; C150-E170 WeakPolarHBondContact CA-O 3.12Å; L168-E170 PolarHBondContact O-N 3.03Å; E170-E172 PolarHBondContact O-N 2.94Å; E170-K196 IonicContact OE1-NZ 2.7Å; E170-K196 PolarHBondContact OE1-NZ 3.45Å; E170-K196 IonicContact OE2-NZ 2.57Å; E170-K196 PolarHBondContact OE2-NZ 3.19Å
171L98.4Very high97.5Very high0 Ų046.7 Ų46.70%023%0.226CC..  trans-62.1122.7179.5-76.4174000111.9L149 L152 L168 K169 F174 W194 K196 L197L149-L171 HydrophobicContact CD2-CD2 4.42Å; L149-L171 HydrophobicContact CG-CD2 4.37Å; L149-L171 PolarHBondContact O-N 2.97Å; L152-L171 HydrophobicContact CB-CD2 3.78Å; L168-L171 HydrophobicContact CB-CD1 3.63Å; L168-L171 HydrophobicContact CB-CG 3.85Å; L168-L171 HydrophobicContact CD1-CD1 3.99Å; L168-L171 HydrophobicContact CG-CD1 4.49Å; L168-L171 WeakPolarHBondContact O-CG 3.4Å; L168-L171 PolarHBondContact O-N 3.02Å; K169-L171 VanDerWaalsContact C-N 3.33Å; L171-F174 HydrophobicContact CD1-CD2 4.26Å; L171-W194 HydrophobicContact CD1-CD2 4.02Å; L171-W194 HydrophobicContact CD1-CE3 4.11Å; L171-W194 HydrophobicContact CD1-CH2 3.75Å; L171-W194 HydrophobicContact CD1-CZ2 3.62Å; L171-W194 HydrophobicContact CD1-CZ3 3.99Å; L171-K196 CarbonylContact O-C 3.22Å; L171-K196 VanDerWaalsContact O-C 3.25Å; L171-L197 HydrophobicContact CB-CD1 4.47Å; L171-L197 WeakPolarHBondContact O-CA 3.34Å; L171-L197 PolarHBondContact O-N 2.84Å; L171-L197 VanDerWaalsContact O-N 3.17Å
172E98.5Very high97.5Very high76 Ų7647.2 Ų47.236%0.35523%0.228SC..SBendtrans-103-37.9171.3-63.4-177.3173.900110.2C150 E170 K196 L198 I199C150-E172 PolarHBondContact O-N 3.46Å; E170-E172 PolarHBondContact O-N 2.94Å; E172-K196 HydrophobicContact CG-CB 4.43Å; E172-L198 PolarHBondContact O-N 2.96Å; E172-I199 PolarHBondContact O-N 2.89Å
173H98.8Very high97.4Very high65 Ų6551.4 Ų51.430%0.30125%0.247SC..EExtended strand (participates in β ladder)trans-126.9119.5-179.5-53.3150.7000110.8C150 V151 L152 I199C150-H173 PolarHBondContact O-N 3.07Å; V151-H173 WeakPolarHBondContact CA-O 3.2Å; V151-H173 HydrophobicContact CB-CB 4.45Å; V151-H173 HydrophobicContact CG1-CB 4.14Å; V151-H173 HydrophobicContact CG2-CB 4.1Å; L152-H173 PolarHBondContact N-O 2.91Å; H173-I199 WeakPolarHBondContact CA-O 3.45Å; H173-I199 HydrophobicContact CB-CB 4.42Å; H173-I199 VanDerWaalsContact CD2-CD1 3.5Å; H173-I199 WeakPolarHBondContact CD2-CD1 3.5Å; H173-I199 VanDerWaalsContact CD2-CG1 3.47Å; H173-I199 WeakPolarHBondContact CD2-CG1 3.44Å; H173-I199 WeakPolarHBondContact NE2-CD1 3.48Å
174F98.8Very high97.3Very high3 Ų344.1 Ų44.11%0.01322%0.216CC..EExtended strand (participates in β ladder)trans-126.7125.6177.2-178.3-110.6000110.8L152 I154 I162 L165 L171 A176 F191 W194 L197 I199 L200 D201 L202L152-F174 HydrophobicContact CB-CD2 4.14Å; L152-F174 HydrophobicContact CD2-CD2 4.17Å; L152-F174 HydrophobicContact CD2-CE2 3.89Å; L152-F174 HydrophobicContact CG-CD2 4.25Å; L152-F174 HydrophobicContact CG-CE2 4.25Å; L152-F174 WeakPolarHBondContact O-CA 3.39Å; I154-F174 HydrophobicContact CD1-CE2 3.78Å; I154-F174 HydrophobicContact CD1-CZ 3.72Å; I154-F174 HydrophobicContact CG1-CE2 4.05Å; I154-F174 HydrophobicContact CG1-CZ 4.26Å; I162-F174 HydrophobicContact CD1-CE1 3.99Å; I162-F174 HydrophobicContact CD1-CZ 4.11Å; I162-F174 HydrophobicContact CG2-CZ 4.19Å; L165-F174 HydrophobicContact CD1-CE2 4.05Å; L165-F174 HydrophobicContact CD1-CZ 4.25Å; L171-F174 HydrophobicContact CD1-CD2 4.26Å; F174-A176 HydrophobicContact CD1-CB 4.42Å; F174-A176 HydrophobicContact CE1-CB 3.61Å; F174-A176 HydrophobicContact CZ-CB 3.69Å; F174-F191 HydrophobicContact CD1-CE1 4.28Å; F174-F191 HydrophobicContact CE1-CE1 4.2Å; F174-W194 HydrophobicContact CB-CZ3 3.97Å; F174-W194 HydrophobicContact CD1-CH2 4.05Å; F174-W194 AromaticContact CD1-CZ3 3.56Å; F174-W194 HydrophobicContact CD1-CZ3 3.56Å; F174-W194 AromaticContact CD2-CH2 3.94Å; F174-W194 HydrophobicContact CD2-CH2 3.94Å; F174-W194 AromaticContact CD2-CZ3 3.98Å; F174-W194 HydrophobicContact CD2-CZ3 3.98Å; F174-W194 AromaticContact CE1-CH2 3.98Å; F174-W194 HydrophobicContact CE1-CH2 3.98Å; F174-W194 AromaticContact CE1-CZ3 3.9Å; F174-W194 HydrophobicContact CE1-CZ3 3.9Å; F174-W194 AromaticContact CE2-CH2 3.88Å; F174-W194 HydrophobicContact CE2-CH2 3.88Å; F174-W194 HydrophobicContact CE2-CZ3 4.3Å; F174-W194 AromaticContact CG-CH2 4Å; F174-W194 HydrophobicContact CG-CH2 4Å; F174-W194 AromaticContact CG-CZ3 3.57Å; F174-W194 HydrophobicContact CG-CZ3 3.57Å; F174-W194 AromaticContact CZ-CH2 3.87Å; F174-W194 HydrophobicContact CZ-CH2 3.87Å; F174-W194 HydrophobicContact CZ-CZ3 4.24Å; F174-L197 HydrophobicContact CB-CD1 3.76Å; F174-I199 PolarHBondContact N-O 2.93Å; F174-L200 HydrophobicContact CB-CD1 4.35Å; F174-L200 HydrophobicContact CD1-CD1 3.56Å; F174-L200 HydrophobicContact CE1-CD1 4.41Å; F174-L200 HydrophobicContact CG-CD1 4.44Å; F174-L200 WeakPolarHBondContact O-CA 3.5Å; F174-D201 PolarHBondContact O-N 3.37Å; F174-L202 HydrophobicContact CE1-CD2 4.19Å
175S98.7Very high97.2Very high21 Ų2143.8 Ų43.815%0.14721%0.214CC..EExtended strand (participates in β ladder)trans-124.9116.3177-157.80000108.8L152 I154 N155L152-S175 PolarHBondContact O-N 2.84Å; I154-S175 VanDerWaalsContact CG1-O 3.3Å; I154-S175 WeakPolarHBondContact CG1-O 3.13Å; I154-S175 PolarHBondContact N-O 3.18Å; N155-S175 VanDerWaalsContact CG-OG 3.29Å; N155-S175 PolarHBondContact ND2-OG 2.96Å; N155-S175 WeakPolarHBondContact OD1-CB 3.37Å; N155-S175 PolarHBondContact OD1-O 3.24Å; N155-S175 VanDerWaalsContact OD1-O 3.12Å; N155-S175 PolarHBondContact OD1-OG 3.49Å
176A98.6Very high96.9Very high0 Ų048.8 Ų48.80%024%0.237CC..  trans-132.131.6174.600000111.3I154 N155 F174 N179 L181 D201 L202 N205I154-A176 HydrophobicContact CD1-CB 3.8Å; I154-A176 HydrophobicContact CG1-CB 3.78Å; N155-A176 WeakPolarHBondContact OD1-CA 3.36Å; N155-A176 PolarHBondContact OD1-N 2.72Å; N155-A176 VanDerWaalsContact OD1-N 3.08Å; F174-A176 HydrophobicContact CD1-CB 4.42Å; F174-A176 HydrophobicContact CE1-CB 3.61Å; F174-A176 HydrophobicContact CZ-CB 3.69Å; A176-N179 VanDerWaalsContact C-ND2 3.34Å; A176-N179 PolarHBondContact O-ND2 2.98Å; A176-L181 HydrophobicContact CB-CD1 4.26Å; A176-D201 CarbonylContact C-O 3.29Å; A176-D201 PolarHBondContact N-O 3.35Å; A176-L202 HydrophobicContact CB-CD2 3.97Å; A176-N205 PolarHBondContact O-ND2 2.89Å
177A98.6Very high96.8Very high4 Ų447.7 Ų47.73%0.03323%0.229CC..THydrogen-bonded Turntrans-57.3148.317500000112.1N155 N156 N179 D201 S203N155-A177 CarbonylContact C-O 3.52Å; N155-A177 WeakPolarHBondContact CA-O 3.43Å; N155-A177 WeakPolarHBondContact CB-O 3.39Å; N155-A177 PolarHBondContact OD1-N 2.96Å; N156-A177 PolarHBondContact N-O 3.34Å; A177-N179 VanDerWaalsContact C-N 3.28Å; A177-N179 PolarHBondContact O-N 2.8Å; A177-D201 PolarHBondContact N-O 3.45Å; A177-S203 CarbonylContact C-O 3.44Å; A177-S203 WeakPolarHBondContact CA-O 3.36Å; A177-S203 VanDerWaalsContact CB-O 3.26Å; A177-S203 WeakPolarHBondContact CB-O 3.4Å
178K98.1Very high96.6Very high139 Ų13946.4 Ų46.460%0.60422%0.22SC*.THydrogen-bonded Turntrans57.238.3178-54.2177.9-178.9177.80113.4N156 S203N156-K178 WeakPolarHBondContact CA-O 3.38Å; N156-K178 HydrophobicContact CB-CB 4.19Å; K178-S203 PolarHBondContact N-O 3.27Å
179N98.3Very high96.3Very high8 Ų851.6 Ų51.64%0.04325%0.247CC..SBendtrans-102.3-163.4167.4-76.8-60.7000109.8I154 N157 N158 I159 A176 A177 L181 N205I154-N179 PolarHBondContact O-ND2 2.99Å; N157-N179 VanDerWaalsContact C-OD1 3.27Å; N157-N179 WeakPolarHBondContact CA-OD1 3.45Å; N157-N179 PolarHBondContact N-OD1 3.02Å; N158-N179 PolarHBondContact N-OD1 3.34Å; N158-N179 VanDerWaalsContact N-OD1 3.07Å; I159-N179 HydrophobicContact CB-CB 4.14Å; I159-N179 PolarHBondContact N-OD1 2.83Å; I159-N179 WeakPolarHBondContact O-CB 3.49Å; A176-N179 VanDerWaalsContact C-ND2 3.34Å; A176-N179 PolarHBondContact O-ND2 2.98Å; A177-N179 VanDerWaalsContact C-N 3.28Å; A177-N179 PolarHBondContact O-N 2.8Å; N179-L181 HydrophobicContact CB-CG 4.43Å; N179-N205 WeakPolarHBondContact CA-OD1 3.41Å; N179-N205 WeakPolarHBondContact CB-OD1 3.46Å; N179-N205 PolarHBondContact N-OD1 3.24Å; N179-N205 PolarHBondContact O-OD1 2.8Å; N179-N205 VanDerWaalsContact O-OD1 3.07Å
180K97.6Very high96.4Very high77 Ų7745.9 Ų45.934%0.33522%0.223SC..  trans-113.720.7-177.3-64.1179-175.2168.90112.7N158 I159 E160 L182 N205N158-K180 HydrophobicContact CB-CD 4.44Å; I159-K180 CarbonylContact O-C 3.54Å; I159-K180 WeakPolarHBondContact O-CA 3.47Å; I159-K180 PolarHBondContact O-N 3.24Å; E160-K180 HydrophobicContact CG-CB 3.7Å; E160-K180 HydrophobicContact CG-CD 3.91Å; E160-K180 HydrophobicContact CG-CG 4.5Å; E160-K180 WeakPolarHBondContact OE1-CD 3.36Å; E160-K180 IonicContact OE1-NZ 3.45Å; E160-K180 PolarHBondContact OE1-NZ 2.93Å; K180-L182 PolarHBondContact O-N 2.84Å; K180-L182 VanDerWaalsContact O-N 3.08Å; K180-N205 PolarHBondContact N-OD1 3.36Å
181L97.8Very high96.2Very high2 Ų243.3 Ų43.31%0.0121%0.211CC..  trans-57.1117179.8-58174.8000110I159 I162 A176 N179 L187 L202 N205 P206 V207I159-L181 HydrophobicContact CG2-CD2 4.29Å; I159-L181 PolarHBondContact O-N 2.99Å; I162-L181 HydrophobicContact CG2-CD2 3.99Å; A176-L181 HydrophobicContact CB-CD1 4.26Å; N179-L181 HydrophobicContact CB-CG 4.43Å; L181-L187 HydrophobicContact CB-CD1 4.4Å; L181-L187 HydrophobicContact CD1-CD1 4.47Å; L181-L187 HydrophobicContact CD1-CD2 4.22Å; L181-L187 HydrophobicContact CD2-CD2 4.39Å; L181-L202 HydrophobicContact CD1-CD2 3.92Å; L181-N205 HydrophobicContact CB-CB 4.16Å; L181-N205 WeakPolarHBondContact CB-OD1 3.37Å; L181-N205 WeakPolarHBondContact CG-OD1 3.4Å; L181-N205 PolarHBondContact N-OD1 2.68Å; L181-P206 WeakPolarHBondContact O-CD 3.34Å; L181-V207 HydrophobicContact CB-CG1 4.37Å; L181-V207 WeakPolarHBondContact O-CB 3.17Å; L181-V207 PolarHBondContact O-N 2.76Å
182L96Very high96Very high86 Ų8648.4 Ų48.445%0.4524%0.235SC..  trans-103.3-49.8-172.2-175.860.4000112.1K180 P206 Q210K180-L182 PolarHBondContact O-N 2.84Å; K180-L182 VanDerWaalsContact O-N 3.08Å; L182-P206 HydrophobicContact CD1-CB 3.7Å; L182-Q210 PolarHBondContact O-NE2 3.26Å
183H94.5Very high95.8Very high92 Ų9249 Ų4943%0.42624%0.24SC..  trans-97.5114.6-165.5-62.1-66.9000112.7D185 E186 L187H183-D185 VanDerWaalsContact C-N 3.31Å; H183-D185 PolarHBondContact O-N 3.25Å; H183-E186 HydrophobicContact CB-CB 4.49Å; H183-E186 HydrophobicContact CB-CG 4.15Å; H183-E186 IonicContact CD2-OE1 3.92Å; H183-L187 WeakPolarHBondContact O-CG 3.2Å
184I94.5Very high95.7Very high0 Ų046 Ų460%023%0.226CC..Hα-helixtrans-66.6-30.7179.4-172.455.4000113.3E186 L187 E188 V207 Y213 R216 L217I184-E186 VanDerWaalsContact C-N 3.34Å; I184-E186 PolarHBondContact O-N 3.29Å; I184-L187 HydrophobicContact CD1-CB 4.45Å; I184-L187 PolarHBondContact O-N 3.28Å; I184-E188 WeakPolarHBondContact O-CG 3.46Å; I184-E188 PolarHBondContact O-N 3.03Å; I184-V207 HydrophobicContact CB-CG2 3.68Å; I184-V207 HydrophobicContact CD1-CG2 3.96Å; I184-V207 HydrophobicContact CG1-CG2 4.35Å; I184-Y213 HydrophobicContact CD1-CD2 3.91Å; I184-Y213 HydrophobicContact CD1-CE2 4.4Å; I184-R216 HydrophobicContact CG1-CB 4.31Å; I184-L217 HydrophobicContact CD1-CD1 4.42Å; I184-L217 HydrophobicContact CD1-CD2 3.49Å; I184-L217 VanDerWaalsContact CD1-CD2 3.49Å; I184-L217 HydrophobicContact CD1-CG 3.82Å
185D91.9Very high95.4Very high88 Ų8849.5 Ų49.547%0.47125%0.251SS..Hα-helixtrans-65.3-40.8-176.7-54.9-54.7000110.5H183 L187 E188 D189 R216H183-D185 VanDerWaalsContact C-N 3.31Å; H183-D185 PolarHBondContact O-N 3.25Å; D185-L187 VanDerWaalsContact C-N 3.33Å; D185-L187 PolarHBondContact O-N 2.79Å; D185-E188 PolarHBondContact O-N 2.76Å; D185-D189 PolarHBondContact O-N 2.91Å; D185-R216 IonicContact OD1-CZ 2.61Å; D185-R216 IonicContact OD1-NH1 2.89Å; D185-R216 PolarHBondContact OD1-NH1 3.3Å; D185-R216 IonicContact OD1-NH2 2.63Å; D185-R216 PolarHBondContact OD1-NH2 3.16Å
186E91.7Very high95.3Very high104 Ų10451.9 Ų51.949%0.48626%0.259SS..Hα-helixtrans-66.5-35.2175.6-63.9172.1-173.600112.3H183 I184 V190H183-E186 HydrophobicContact CB-CB 4.49Å; H183-E186 HydrophobicContact CB-CG 4.15Å; H183-E186 IonicContact CD2-OE1 3.92Å; I184-E186 VanDerWaalsContact C-N 3.34Å; I184-E186 PolarHBondContact O-N 3.29Å; E186-V190 WeakPolarHBondContact O-CG2 3.46Å; E186-V190 PolarHBondContact O-N 3.36Å
187L94.3Very high95.3Very high6 Ų651.9 Ų51.93%0.03126%0.259CS..Hα-helixtrans-71-37.6177-63.6-175000112.2I162 L181 H183 I184 D185 D189 V190 F191 L202 V207I162-L187 HydrophobicContact CD1-CD2 3.57Å; I162-L187 HydrophobicContact CG1-CD2 3.57Å; L181-L187 HydrophobicContact CB-CD1 4.4Å; L181-L187 HydrophobicContact CD1-CD1 4.47Å; L181-L187 HydrophobicContact CD1-CD2 4.22Å; L181-L187 HydrophobicContact CD2-CD2 4.39Å; H183-L187 WeakPolarHBondContact O-CG 3.2Å; I184-L187 HydrophobicContact CD1-CB 4.45Å; I184-L187 PolarHBondContact O-N 3.28Å; D185-L187 VanDerWaalsContact C-N 3.33Å; D185-L187 PolarHBondContact O-N 2.79Å; L187-D189 VanDerWaalsContact C-N 3.34Å; L187-D189 PolarHBondContact O-N 3.05Å; L187-V190 PolarHBondContact O-N 3.06Å; L187-F191 HydrophobicContact CB-CD2 4.05Å; L187-F191 HydrophobicContact CB-CE2 3.63Å; L187-F191 HydrophobicContact CB-CZ 4.22Å; L187-F191 HydrophobicContact CD1-CE2 4.27Å; L187-F191 HydrophobicContact CD2-CE2 4.49Å; L187-F191 HydrophobicContact CD2-CZ 4.25Å; L187-F191 HydrophobicContact CG-CE2 4.35Å; L187-F191 WeakPolarHBondContact O-CB 3.44Å; L187-F191 WeakPolarHBondContact O-CD2 3.2Å; L187-F191 WeakPolarHBondContact O-CG 3.39Å; L187-F191 PolarHBondContact O-N 2.61Å; L187-L202 HydrophobicContact CD1-CD1 4.12Å; L187-V207 HydrophobicContact CD1-CB 4.32Å; L187-V207 HydrophobicContact CD1-CG1 3.94Å; L187-V207 HydrophobicContact CD1-CG2 3.98Å
188E93.4Very high95.3Very high23 Ų2355 Ų5511%0.10727%0.274CS..Hα-helixtrans-58.2-47.5175.8-76.8-175.9165.200111.1I184 D185 V190 F191 E192 R216 A220I184-E188 WeakPolarHBondContact O-CG 3.46Å; I184-E188 PolarHBondContact O-N 3.03Å; D185-E188 PolarHBondContact O-N 2.76Å; E188-V190 VanDerWaalsContact C-N 3.27Å; E188-V190 PolarHBondContact O-N 3.31Å; E188-F191 PolarHBondContact O-N 3.03Å; E188-E192 WeakPolarHBondContact O-CB 3.44Å; E188-E192 WeakPolarHBondContact O-CG 3.25Å; E188-E192 PolarHBondContact O-N 2.86Å; E188-R216 WeakPolarHBondContact OE1-CB 3.17Å; E188-R216 IonicContact OE1-CZ 3.59Å; E188-R216 IonicContact OE1-NE 3.71Å; E188-R216 PolarHBondContact OE1-NE 3.36Å; E188-R216 IonicContact OE1-NH2 3.22Å; E188-R216 PolarHBondContact OE1-NH2 3.3Å; E188-R216 IonicContact OE2-CZ 3.19Å; E188-R216 IonicContact OE2-NE 3.36Å; E188-R216 IonicContact OE2-NH2 2.68Å; E188-R216 PolarHBondContact OE2-NH2 2.97Å; E188-A220 HydrophobicContact CG-CB 4.31Å
189D92.3Very high95.3Very high109 Ų10951.8 Ų51.858%0.58326%0.263SS*.Hα-helixtrans-57.6-40.7179-69.1-19.7000112D185 L187 L193D185-D189 PolarHBondContact O-N 2.91Å; L187-D189 VanDerWaalsContact C-N 3.34Å; L187-D189 PolarHBondContact O-N 3.05Å; D189-L193 WeakPolarHBondContact O-CG 3.47Å
190V95.3Very high95.3Very high5 Ų551.4 Ų51.43%0.0326%0.261CS..Hα-helixtrans-69.1-48.4177.3174.80000110.8I162 E186 L187 E188 E192 L193 W194I162-V190 HydrophobicContact CD1-CG1 4.09Å; I162-V190 HydrophobicContact CG1-CG1 4.47Å; E186-V190 WeakPolarHBondContact O-CG2 3.46Å; E186-V190 PolarHBondContact O-N 3.36Å; L187-V190 PolarHBondContact O-N 3.06Å; E188-V190 VanDerWaalsContact C-N 3.27Å; E188-V190 PolarHBondContact O-N 3.31Å; V190-E192 PolarHBondContact O-N 2.94Å; V190-L193 WeakPolarHBondContact O-CB 3.49Å; V190-L193 PolarHBondContact O-N 3.42Å; V190-L193 VanDerWaalsContact O-N 3.13Å; V190-W194 HydrophobicContact CG1-CD2 4.36Å; V190-W194 HydrophobicContact CG1-CH2 4Å; V190-W194 HydrophobicContact CG1-CZ2 3.59Å
191F94.7Very high95.3Very high1 Ų149.6 Ų49.60%0.00426%0.255CS..Hα-helixtrans-76.8-21-172.5-56.2-38.5000114.2I162 F174 L187 E188 L193 W194 L200 L202 L217 C221I162-F191 HydrophobicContact CD1-CE1 3.58Å; I162-F191 HydrophobicContact CD1-CZ 3.85Å; F174-F191 HydrophobicContact CD1-CE1 4.28Å; F174-F191 HydrophobicContact CE1-CE1 4.2Å; L187-F191 HydrophobicContact CB-CD2 4.05Å; L187-F191 HydrophobicContact CB-CE2 3.63Å; L187-F191 HydrophobicContact CB-CZ 4.22Å; L187-F191 HydrophobicContact CD1-CE2 4.27Å; L187-F191 HydrophobicContact CD2-CE2 4.49Å; L187-F191 HydrophobicContact CD2-CZ 4.25Å; L187-F191 HydrophobicContact CG-CE2 4.35Å; L187-F191 WeakPolarHBondContact O-CB 3.44Å; L187-F191 WeakPolarHBondContact O-CD2 3.2Å; L187-F191 WeakPolarHBondContact O-CG 3.39Å; L187-F191 PolarHBondContact O-N 2.61Å; E188-F191 PolarHBondContact O-N 3.03Å; F191-L193 PolarHBondContact O-N 3.03Å; F191-W194 HydrophobicContact CD1-CD2 4.29Å; F191-W194 AromaticContact CD1-CE3 3.52Å; F191-W194 HydrophobicContact CD1-CE3 3.52Å; F191-W194 HydrophobicContact CD1-CH2 4.34Å; F191-W194 AromaticContact CD1-CZ3 3.55Å; F191-W194 HydrophobicContact CD1-CZ3 3.55Å; F191-W194 AromaticContact CE1-CE3 3.93Å; F191-W194 HydrophobicContact CE1-CE3 3.93Å; F191-W194 HydrophobicContact CE1-CH2 4.1Å; F191-W194 AromaticContact CE1-CZ3 3.44Å; F191-W194 HydrophobicContact CE1-CZ3 3.44Å; F191-W194 VanDerWaalsContact CE1-CZ3 3.44Å; F191-W194 PolarHBondContact O-N 3.42Å; F191-L200 HydrophobicContact CD2-CD2 4.26Å; F191-L200 HydrophobicContact CE1-CD1 4.32Å; F191-L200 HydrophobicContact CE2-CD2 3.92Å; F191-L200 HydrophobicContact CZ-CD1 4.11Å; F191-L200 HydrophobicContact CZ-CD2 4.12Å; F191-L202 HydrophobicContact CE2-CD1 3.85Å; F191-L202 HydrophobicContact CZ-CD1 3.89Å; F191-L202 HydrophobicContact CZ-CD2 4.26Å; F191-L217 HydrophobicContact CD2-CD2 3.53Å; F191-L217 HydrophobicContact CE2-CD1 4.37Å; F191-L217 HydrophobicContact CE2-CD2 3.69Å; F191-C221 WeakPolarHBondContact CB-SG 3.37Å
192E93.4Very high95.4Very high108 Ų10849.5 Ų49.551%0.50526%0.255SS..Hα-helixtrans-61.7-26.8168.3-78.2-173.7179.600111.7E188 V190 A220E188-E192 WeakPolarHBondContact O-CB 3.44Å; E188-E192 WeakPolarHBondContact O-CG 3.25Å; E188-E192 PolarHBondContact O-N 2.86Å; V190-E192 PolarHBondContact O-N 2.94Å; E192-A220 HydrophobicContact CG-CB 4.1Å
193L94.8Very high95.5Very high89 Ų8947.6 Ų47.647%0.46625%0.248SC..Hα-helixtrans-80.5-25.7177.3-58.4170.2000112.7D189 V190 F191 S195D189-L193 WeakPolarHBondContact O-CG 3.47Å; V190-L193 WeakPolarHBondContact O-CB 3.49Å; V190-L193 PolarHBondContact O-N 3.42Å; V190-L193 VanDerWaalsContact O-N 3.13Å; F191-L193 PolarHBondContact O-N 3.03Å; L193-S195 VanDerWaalsContact C-N 3.31Å; L193-S195 PolarHBondContact O-N 2.9Å
194W95.8Very high95.6Very high2 Ų246 Ų461%0.00826%0.257CS..  trans-86.567.8-178.1-63.4-9.9000112.2I162 L165 L168 L171 F174 V190 F191 K196 L197I162-W194 HydrophobicContact CD1-CH2 4.25Å; L165-W194 HydrophobicContact CB-CH2 4.46Å; L165-W194 HydrophobicContact CB-CZ2 3.97Å; L165-W194 WeakPolarHBondContact O-CZ2 3.2Å; L165-W194 PolarHBondContact O-NE1 3.07Å; L168-W194 PolarHBondContact O-NE1 2.89Å; L171-W194 HydrophobicContact CD1-CD2 4.02Å; L171-W194 HydrophobicContact CD1-CE3 4.11Å; L171-W194 HydrophobicContact CD1-CH2 3.75Å; L171-W194 HydrophobicContact CD1-CZ2 3.62Å; L171-W194 HydrophobicContact CD1-CZ3 3.99Å; F174-W194 HydrophobicContact CB-CZ3 3.97Å; F174-W194 HydrophobicContact CD1-CH2 4.05Å; F174-W194 AromaticContact CD1-CZ3 3.56Å; F174-W194 HydrophobicContact CD1-CZ3 3.56Å; F174-W194 AromaticContact CD2-CH2 3.94Å; F174-W194 HydrophobicContact CD2-CH2 3.94Å; F174-W194 AromaticContact CD2-CZ3 3.98Å; F174-W194 HydrophobicContact CD2-CZ3 3.98Å; F174-W194 AromaticContact CE1-CH2 3.98Å; F174-W194 HydrophobicContact CE1-CH2 3.98Å; F174-W194 AromaticContact CE1-CZ3 3.9Å; F174-W194 HydrophobicContact CE1-CZ3 3.9Å; F174-W194 AromaticContact CE2-CH2 3.88Å; F174-W194 HydrophobicContact CE2-CH2 3.88Å; F174-W194 HydrophobicContact CE2-CZ3 4.3Å; F174-W194 AromaticContact CG-CH2 4Å; F174-W194 HydrophobicContact CG-CH2 4Å; F174-W194 AromaticContact CG-CZ3 3.57Å; F174-W194 HydrophobicContact CG-CZ3 3.57Å; F174-W194 AromaticContact CZ-CH2 3.87Å; F174-W194 HydrophobicContact CZ-CH2 3.87Å; F174-W194 HydrophobicContact CZ-CZ3 4.24Å; V190-W194 HydrophobicContact CG1-CD2 4.36Å; V190-W194 HydrophobicContact CG1-CH2 4Å; V190-W194 HydrophobicContact CG1-CZ2 3.59Å; F191-W194 HydrophobicContact CD1-CD2 4.29Å; F191-W194 AromaticContact CD1-CE3 3.52Å; F191-W194 HydrophobicContact CD1-CE3 3.52Å; F191-W194 HydrophobicContact CD1-CH2 4.34Å; F191-W194 AromaticContact CD1-CZ3 3.55Å; F191-W194 HydrophobicContact CD1-CZ3 3.55Å; F191-W194 AromaticContact CE1-CE3 3.93Å; F191-W194 HydrophobicContact CE1-CE3 3.93Å; F191-W194 HydrophobicContact CE1-CH2 4.1Å; F191-W194 AromaticContact CE1-CZ3 3.44Å; F191-W194 HydrophobicContact CE1-CZ3 3.44Å; F191-W194 VanDerWaalsContact CE1-CZ3 3.44Å; F191-W194 PolarHBondContact O-N 3.42Å; W194-K196 PolarHBondContact O-N 3.41Å; W194-L197 HydrophobicContact CB-CB 4.18Å; W194-L197 HydrophobicContact CE3-CD1 4.23Å; W194-L197 HydrophobicContact CE3-CD2 4.12Å; W194-L197 WeakPolarHBondContact O-CB 3.47Å; W194-L197 PolarHBondContact O-N 2.83Å; W194-L197 VanDerWaalsContact O-N 3.11Å
195S94Very high95.8Very high76 Ų7646.3 Ų46.353%0.53126%0.259SS..THydrogen-bonded Turntrans-63.7-10.7-176.368.80000115.8L193 K223L193-S195 VanDerWaalsContact C-N 3.31Å; L193-S195 PolarHBondContact O-N 2.9Å; S195-K223 WeakPolarHBondContact O-CD 3.46Å; S195-K223 WeakPolarHBondContact O-CE 3.27Å
196K96.8Very high96.1Very high70 Ų7044.5 Ų44.530%0.30425%0.252SS..THydrogen-bonded Turntrans-101.6-4.1179-67.6-177.9173.9172.40113.5E170 L171 E172 W194 L198E170-K196 IonicContact OE1-NZ 2.7Å; E170-K196 PolarHBondContact OE1-NZ 3.45Å; E170-K196 IonicContact OE2-NZ 2.57Å; E170-K196 PolarHBondContact OE2-NZ 3.19Å; L171-K196 CarbonylContact O-C 3.22Å; L171-K196 VanDerWaalsContact O-C 3.25Å; E172-K196 HydrophobicContact CG-CB 4.43Å; W194-K196 PolarHBondContact O-N 3.41Å; K196-L198 WeakPolarHBondContact O-CG 3.39Å; K196-L198 PolarHBondContact O-N 2.91Å
197L97.9Very high96.4Very high1 Ų139.6 Ų39.61%0.00523%0.229CC..  trans-64.2122.4-174.7-166.171.9000111.7L171 F174 W194 L200 K223 L224L171-L197 HydrophobicContact CB-CD1 4.47Å; L171-L197 WeakPolarHBondContact O-CA 3.34Å; L171-L197 PolarHBondContact O-N 2.84Å; L171-L197 VanDerWaalsContact O-N 3.17Å; F174-L197 HydrophobicContact CB-CD1 3.76Å; W194-L197 HydrophobicContact CB-CB 4.18Å; W194-L197 HydrophobicContact CE3-CD1 4.23Å; W194-L197 HydrophobicContact CE3-CD2 4.12Å; W194-L197 WeakPolarHBondContact O-CB 3.47Å; W194-L197 PolarHBondContact O-N 2.83Å; W194-L197 VanDerWaalsContact O-N 3.11Å; L197-L200 HydrophobicContact CD2-CB 4.11Å; L197-L200 HydrophobicContact CD2-CD1 4.35Å; L197-L200 HydrophobicContact CD2-CD2 4.17Å; L197-L200 HydrophobicContact CD2-CG 4.46Å; L197-K223 CarbonylContact O-C 3.53Å; L197-K223 VanDerWaalsContact O-C 3.29Å; L197-L224 HydrophobicContact CD2-CD1 4.06Å; L197-L224 HydrophobicContact CG-CD1 4.06Å; L197-L224 WeakPolarHBondContact O-CA 3.46Å; L197-L224 PolarHBondContact O-N 2.98Å
198L97.8Very high96.5Very high68 Ų6841.2 Ų41.236%0.35624%0.24SC..  trans-109.2-38.1180-58.7-179.4000111.9E172 K196 K223 G225 T226E172-L198 PolarHBondContact O-N 2.96Å; K196-L198 WeakPolarHBondContact O-CG 3.39Å; K196-L198 PolarHBondContact O-N 2.91Å; L198-K223 HydrophobicContact CD2-CB 4.18Å; L198-G225 WeakPolarHBondContact O-CA 3.4Å; L198-G225 PolarHBondContact O-N 3.28Å; L198-T226 PolarHBondContact O-N 3.25Å
199I98.5Very high96.6Very high72 Ų7249.2 Ų49.237%0.36928%0.275SS..EExtended strand (participates in β ladder)trans-127.9124.7-176.9-55.2179.9000109.3E172 H173 F174E172-I199 PolarHBondContact O-N 2.89Å; H173-I199 WeakPolarHBondContact CA-O 3.45Å; H173-I199 HydrophobicContact CB-CB 4.42Å; H173-I199 VanDerWaalsContact CD2-CD1 3.5Å; H173-I199 WeakPolarHBondContact CD2-CD1 3.5Å; H173-I199 VanDerWaalsContact CD2-CG1 3.47Å; H173-I199 WeakPolarHBondContact CD2-CG1 3.44Å; H173-I199 WeakPolarHBondContact NE2-CD1 3.48Å; F174-I199 PolarHBondContact N-O 2.93Å
200L98.5Very high96.7Very high1 Ų147.1 Ų47.11%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-127.7129.5177.6-18055.4000109.8F174 F191 L197 L202 L217 L224 T226 L227 D228F174-L200 HydrophobicContact CB-CD1 4.35Å; F174-L200 HydrophobicContact CD1-CD1 3.56Å; F174-L200 HydrophobicContact CE1-CD1 4.41Å; F174-L200 HydrophobicContact CG-CD1 4.44Å; F174-L200 WeakPolarHBondContact O-CA 3.5Å; F191-L200 HydrophobicContact CD2-CD2 4.26Å; F191-L200 HydrophobicContact CE1-CD1 4.32Å; F191-L200 HydrophobicContact CE2-CD2 3.92Å; F191-L200 HydrophobicContact CZ-CD1 4.11Å; F191-L200 HydrophobicContact CZ-CD2 4.12Å; L197-L200 HydrophobicContact CD2-CB 4.11Å; L197-L200 HydrophobicContact CD2-CD1 4.35Å; L197-L200 HydrophobicContact CD2-CD2 4.17Å; L197-L200 HydrophobicContact CD2-CG 4.46Å; L200-L202 HydrophobicContact CD1-CD1 4.3Å; L200-L202 HydrophobicContact CD1-CD2 3.84Å; L200-L202 HydrophobicContact CD1-CG 3.84Å; L200-L202 HydrophobicContact CD2-CD1 4.19Å; L200-L202 HydrophobicContact CD2-CG 4.47Å; L200-L202 HydrophobicContact CG-CD1 4.32Å; L200-L202 HydrophobicContact CG-CG 4.05Å; L200-L217 HydrophobicContact CD2-CD1 4.11Å; L200-L224 HydrophobicContact CB-CD1 3.46Å; L200-L224 VanDerWaalsContact CB-CD1 3.46Å; L200-L224 HydrophobicContact CB-CD2 4.14Å; L200-L224 HydrophobicContact CB-CG 4.42Å; L200-L224 HydrophobicContact CD2-CD2 4.18Å; L200-T226 PolarHBondContact N-O 2.91Å; L200-L227 HydrophobicContact CB-CD1 3.99Å; L200-L227 HydrophobicContact CD2-CD1 3.85Å; L200-L227 HydrophobicContact CG-CD1 3.74Å; L200-L227 CarbonylContact O-C 3.26Å; L200-L227 VanDerWaalsContact O-CA 3.25Å; L200-L227 WeakPolarHBondContact O-CA 3.36Å; L200-D228 PolarHBondContact O-N 2.88Å
201D98.6Very high96.6Very high39 Ų3957.2 Ų57.221%0.20930%0.299CS..EExtended strand (participates in β ladder)trans-130.5112.9170.8-177.114.3000110.2F174 A176 A177 S203F174-D201 PolarHBondContact O-N 3.37Å; A176-D201 CarbonylContact C-O 3.29Å; A176-D201 PolarHBondContact N-O 3.35Å; A177-D201 PolarHBondContact N-O 3.45Å; D201-S203 WeakPolarHBondContact OD1-CB 3.46Å; D201-S203 PolarHBondContact OD1-N 3.36Å; D201-S203 PolarHBondContact OD1-OG 3.04Å
202L98.4Very high96.5Very high0 Ų061.3 Ų61.30%032%0.317CS..  trans-117.513.4173.9-53174.3000110.6F174 A176 L181 L187 F191 L200 G204 N205 C208 Y213 L217 D228F174-L202 HydrophobicContact CE1-CD2 4.19Å; A176-L202 HydrophobicContact CB-CD2 3.97Å; L181-L202 HydrophobicContact CD1-CD2 3.92Å; L187-L202 HydrophobicContact CD1-CD1 4.12Å; F191-L202 HydrophobicContact CE2-CD1 3.85Å; F191-L202 HydrophobicContact CZ-CD1 3.89Å; F191-L202 HydrophobicContact CZ-CD2 4.26Å; L200-L202 HydrophobicContact CD1-CD1 4.3Å; L200-L202 HydrophobicContact CD1-CD2 3.84Å; L200-L202 HydrophobicContact CD1-CG 3.84Å; L200-L202 HydrophobicContact CD2-CD1 4.19Å; L200-L202 HydrophobicContact CD2-CG 4.47Å; L200-L202 HydrophobicContact CG-CD1 4.32Å; L200-L202 HydrophobicContact CG-CG 4.05Å; L202-G204 PolarHBondContact O-N 3.32Å; L202-N205 WeakPolarHBondContact O-CB 3.48Å; L202-N205 PolarHBondContact O-N 2.93Å; L202-N205 VanDerWaalsContact O-N 3.15Å; L202-N205 PolarHBondContact O-ND2 3.05Å; L202-C208 PolarHBondContact O-SG 3.24Å; L202-Y213 WeakPolarHBondContact CB-OH 3.3Å; L202-Y213 HydrophobicContact CD1-CE2 4.13Å; L202-L217 HydrophobicContact CD1-CD1 3.7Å; L202-D228 PolarHBondContact N-OD1 3.25Å
203S98.3Very high96.5Very high45 Ų4556.8 Ų56.832%0.31530%0.295SS..THydrogen-bonded Turntrans-53.4138-175.362.40000112.1A177 K178 D201 N205 D228A177-S203 CarbonylContact C-O 3.44Å; A177-S203 WeakPolarHBondContact CA-O 3.36Å; A177-S203 VanDerWaalsContact CB-O 3.26Å; A177-S203 WeakPolarHBondContact CB-O 3.4Å; K178-S203 PolarHBondContact N-O 3.27Å; D201-S203 WeakPolarHBondContact OD1-CB 3.46Å; D201-S203 PolarHBondContact OD1-N 3.36Å; D201-S203 PolarHBondContact OD1-OG 3.04Å; S203-N205 VanDerWaalsContact C-N 3.33Å; S203-N205 PolarHBondContact O-N 3.2Å; S203-D228 PolarHBondContact N-OD1 2.98Å; S203-D228 VanDerWaalsContact N-OD1 3.14Å
204G97.5Very high96.5Very high60 Ų6055.6 Ų55.662%0.61928%0.284SS*.THydrogen-bonded Turntrans81.62.6-178.800000115.6L202L202-G204 PolarHBondContact O-N 3.32Å
205N98.4Very high96.4Very high5 Ų558.4 Ų58.43%0.02730%0.3CS..SBendtrans-81.4152.5167.1-75.1-87.9000111.8A176 N179 K180 L181 L202 S203 V207 C208A176-N205 PolarHBondContact O-ND2 2.89Å; N179-N205 WeakPolarHBondContact CA-OD1 3.41Å; N179-N205 WeakPolarHBondContact CB-OD1 3.46Å; N179-N205 PolarHBondContact N-OD1 3.24Å; N179-N205 PolarHBondContact O-OD1 2.8Å; N179-N205 VanDerWaalsContact O-OD1 3.07Å; K180-N205 PolarHBondContact N-OD1 3.36Å; L181-N205 HydrophobicContact CB-CB 4.16Å; L181-N205 WeakPolarHBondContact CB-OD1 3.37Å; L181-N205 WeakPolarHBondContact CG-OD1 3.4Å; L181-N205 PolarHBondContact N-OD1 2.68Å; L202-N205 WeakPolarHBondContact O-CB 3.48Å; L202-N205 PolarHBondContact O-N 2.93Å; L202-N205 VanDerWaalsContact O-N 3.15Å; L202-N205 PolarHBondContact O-ND2 3.05Å; S203-N205 VanDerWaalsContact C-N 3.33Å; S203-N205 PolarHBondContact O-N 3.2Å; N205-V207 HydrophobicContact CB-CG1 3.86Å; N205-V207 PolarHBondContact O-N 3.28Å; N205-C208 WeakPolarHBondContact O-CB 3.33Å; N205-C208 PolarHBondContact O-N 3.42Å
206P97.9Very high96.4Very high51 Ų5158.1 Ų58.133%0.33129%0.287SS..G310 helixtrans-53.2-36.5171.6-26.934.1000113.8L181 L182 C208 K209L181-P206 WeakPolarHBondContact O-CD 3.34Å; L182-P206 HydrophobicContact CD1-CB 3.7Å; P206-C208 PolarHBondContact O-N 2.83Å; P206-C208 VanDerWaalsContact O-N 3.14Å; P206-K209 PolarHBondContact O-N 3.17Å
207V97.3Very high96.3Very high0 Ų054.8 Ų54.80%027%0.272CS..G310 helixtrans-56.8-29.818073.40000113.2L181 I184 L187 N205 K209 Q210 Y213L181-V207 HydrophobicContact CB-CG1 4.37Å; L181-V207 WeakPolarHBondContact O-CB 3.17Å; L181-V207 PolarHBondContact O-N 2.76Å; I184-V207 HydrophobicContact CB-CG2 3.68Å; I184-V207 HydrophobicContact CD1-CG2 3.96Å; I184-V207 HydrophobicContact CG1-CG2 4.35Å; L187-V207 HydrophobicContact CD1-CB 4.32Å; L187-V207 HydrophobicContact CD1-CG1 3.94Å; L187-V207 HydrophobicContact CD1-CG2 3.98Å; N205-V207 HydrophobicContact CB-CG1 3.86Å; N205-V207 PolarHBondContact O-N 3.28Å; V207-K209 PolarHBondContact O-N 3.11Å; V207-K209 VanDerWaalsContact O-N 3.1Å; V207-Q210 HydrophobicContact CG2-CG 4.46Å; V207-Q210 VanDerWaalsContact O-CB 3.29Å; V207-Q210 WeakPolarHBondContact O-CB 3.44Å; V207-Q210 WeakPolarHBondContact O-CG 3.33Å; V207-Q210 PolarHBondContact O-N 3.03Å; V207-Y213 HydrophobicContact CG1-CD2 4.19Å; V207-Y213 HydrophobicContact CG1-CE2 3.79Å; V207-Y213 HydrophobicContact CG2-CD2 3.94Å; V207-Y213 HydrophobicContact CG2-CE2 4.28Å; V207-Y213 WeakPolarHBondContact O-CD2 3.37Å
208C96.3Very high96.1Very high40 Ų4055 Ų5527%0.2727%0.273SS..G310 helixtrans-62.7-20.8179.2-59.80000113.4L202 N205 P206 Q210 Y213L202-C208 PolarHBondContact O-SG 3.24Å; N205-C208 WeakPolarHBondContact O-CB 3.33Å; N205-C208 PolarHBondContact O-N 3.42Å; P206-C208 PolarHBondContact O-N 2.83Å; P206-C208 VanDerWaalsContact O-N 3.14Å; C208-Q210 VanDerWaalsContact C-N 3.34Å; C208-Y213 HydrophobicContact CB-CD1 4.46Å; C208-Y213 HydrophobicContact CB-CE1 4.29Å
209K95.9Very high95.8Very high192 Ų19252.9 Ų52.984%0.83526%0.263SS*.G310 helixtrans-85.2-9.4177.3-60.6-179.7-177.2174.30112.6P206 V207P206-K209 PolarHBondContact O-N 3.17Å; V207-K209 PolarHBondContact O-N 3.11Å; V207-K209 VanDerWaalsContact O-N 3.1Å
210Q95.3Very high95.4Very high64 Ų6449.9 Ų49.930%0.29925%0.25SC..SBendtrans-69.9147.8-178.7-65.8-155.813.900112.4L182 V207 C208 K212 Y213L182-Q210 PolarHBondContact O-NE2 3.26Å; V207-Q210 HydrophobicContact CG2-CG 4.46Å; V207-Q210 VanDerWaalsContact O-CB 3.29Å; V207-Q210 WeakPolarHBondContact O-CB 3.44Å; V207-Q210 WeakPolarHBondContact O-CG 3.33Å; V207-Q210 PolarHBondContact O-N 3.03Å; C208-Q210 VanDerWaalsContact C-N 3.34Å; Q210-K212 PolarHBondContact O-N 2.83Å; Q210-Y213 VanDerWaalsContact O-CB 3.26Å; Q210-Y213 WeakPolarHBondContact O-CB 3.45Å; Q210-Y213 PolarHBondContact O-N 2.72Å
211R92.9Very high95.1Very high218 Ų21850 Ų5082%0.82325%0.251SS*.THydrogen-bonded Turntrans-61.3129.7179.8-172.4179.4-177.6-179.13.2110Y213R211-Y213 PolarHBondContact O-N 2.86Å
212K91.9Very high94.4Very high87 Ų8755.7 Ų55.738%0.37828%0.276SS..THydrogen-bonded Turntrans60.117.9-179.6-63.6-177.3175.1-155.10114.6Q210 R214 D215 R216Q210-K212 PolarHBondContact O-N 2.83Å; K212-R214 VanDerWaalsContact C-N 3.28Å; K212-R214 PolarHBondContact O-N 3.45Å; K212-D215 HydrophobicContact CB-CB 4.31Å; K212-D215 PolarHBondContact O-N 3.26Å; K212-D215 VanDerWaalsContact O-N 3.12Å; K212-R216 HydrophobicContact CB-CG 4.25Å; K212-R216 VanDerWaalsContact O-CB 3.31Å; K212-R216 WeakPolarHBondContact O-CB 3.34Å; K212-R216 VanDerWaalsContact O-CG 3.28Å; K212-R216 WeakPolarHBondContact O-CG 3.32Å; K212-R216 PolarHBondContact O-N 3.28Å
213Y94.5Very high94.2Very high12 Ų1261.7 Ų61.75%0.04730%0.302CS..Hα-helixtrans-42.7-53.6176.7156.2-100.2000112.7I184 L202 V207 C208 Q210 R211 R216 L217 D228I184-Y213 HydrophobicContact CD1-CD2 3.91Å; I184-Y213 HydrophobicContact CD1-CE2 4.4Å; L202-Y213 WeakPolarHBondContact CB-OH 3.3Å; L202-Y213 HydrophobicContact CD1-CE2 4.13Å; V207-Y213 HydrophobicContact CG1-CD2 4.19Å; V207-Y213 HydrophobicContact CG1-CE2 3.79Å; V207-Y213 HydrophobicContact CG2-CD2 3.94Å; V207-Y213 HydrophobicContact CG2-CE2 4.28Å; V207-Y213 WeakPolarHBondContact O-CD2 3.37Å; C208-Y213 HydrophobicContact CB-CD1 4.46Å; C208-Y213 HydrophobicContact CB-CE1 4.29Å; Q210-Y213 VanDerWaalsContact O-CB 3.26Å; Q210-Y213 WeakPolarHBondContact O-CB 3.45Å; Q210-Y213 PolarHBondContact O-N 2.72Å; R211-Y213 PolarHBondContact O-N 2.86Å; Y213-R216 WeakPolarHBondContact O-CB 3.35Å; Y213-R216 PolarHBondContact O-N 3.47Å; Y213-L217 HydrophobicContact CD2-CD1 4.01Å; Y213-L217 HydrophobicContact CD2-CG 4.4Å; Y213-L217 HydrophobicContact CE1-CD1 4.45Å; Y213-L217 HydrophobicContact CE2-CD1 3.28Å; Y213-L217 HydrophobicContact CE2-CG 4.13Å; Y213-L217 WeakPolarHBondContact O-CG 3.15Å; Y213-L217 PolarHBondContact O-N 3.4Å; Y213-L217 VanDerWaalsContact O-N 3.13Å; Y213-D228 WeakPolarHBondContact CE1-OD2 3.33Å; Y213-D228 PolarHBondContact OH-OD1 3.05Å; Y213-D228 PolarHBondContact OH-OD2 3Å
214R94.8Very high94Very high64 Ų6459.6 Ų59.624%0.24229%0.287CS..Hα-helixtrans-64.3-47.9-178.2-162-172169.574.6-1112.1K212 R216 L217 I218 L227 K230 D231K212-R214 VanDerWaalsContact C-N 3.28Å; K212-R214 PolarHBondContact O-N 3.45Å; R214-R216 VanDerWaalsContact C-N 3.28Å; R214-R216 PolarHBondContact O-N 3.18Å; R214-L217 PolarHBondContact O-N 3.44Å; R214-I218 HydrophobicContact CG-CD1 3.83Å; R214-I218 HydrophobicContact CG-CG1 4.46Å; R214-I218 WeakPolarHBondContact O-CB 3.4Å; R214-I218 VanDerWaalsContact O-CG1 3.22Å; R214-I218 WeakPolarHBondContact O-CG1 3.22Å; R214-I218 PolarHBondContact O-N 2.98Å; R214-L227 HydrophobicContact CB-CD2 4.47Å; R214-L227 HydrophobicContact CG-CD2 3.62Å; R214-L227 HydrophobicContact CG-CG 4.45Å; R214-L227 PolarHBondContact NH1-O 3Å; R214-K230 PolarHBondContact NH2-O 3.42Å; R214-D231 PolarHBondContact NH2-O 3.44Å
215D93.8Very high93.9Very high61 Ų6158.1 Ų58.133%0.32627%0.272SS..Hα-helixtrans-61-40.2-179.2-59.6-14.2000111.7K212 V219 L240K212-D215 HydrophobicContact CB-CB 4.31Å; K212-D215 PolarHBondContact O-N 3.26Å; K212-D215 VanDerWaalsContact O-N 3.12Å; D215-V219 VanDerWaalsContact O-CG2 3.3Å; D215-V219 WeakPolarHBondContact O-CG2 3.45Å; D215-V219 PolarHBondContact O-N 2.97Å; D215-L240 HydrophobicContact CB-CD1 3.98Å; D215-L240 HydrophobicContact CB-CD2 3.89Å
216R93.9Very high93.9Very high70 Ų7059.4 Ų59.426%0.26428%0.28SS..Hα-helixtrans-60.5-51.5178.1-79.9-170.678.2164.77.9111.2I184 D185 E188 K212 Y213 R214 V219 A220I184-R216 HydrophobicContact CG1-CB 4.31Å; D185-R216 IonicContact OD1-CZ 2.61Å; D185-R216 IonicContact OD1-NH1 2.89Å; D185-R216 PolarHBondContact OD1-NH1 3.3Å; D185-R216 IonicContact OD1-NH2 2.63Å; D185-R216 PolarHBondContact OD1-NH2 3.16Å; E188-R216 WeakPolarHBondContact OE1-CB 3.17Å; E188-R216 IonicContact OE1-CZ 3.59Å; E188-R216 IonicContact OE1-NE 3.71Å; E188-R216 PolarHBondContact OE1-NE 3.36Å; E188-R216 IonicContact OE1-NH2 3.22Å; E188-R216 PolarHBondContact OE1-NH2 3.3Å; E188-R216 IonicContact OE2-CZ 3.19Å; E188-R216 IonicContact OE2-NE 3.36Å; E188-R216 IonicContact OE2-NH2 2.68Å; E188-R216 PolarHBondContact OE2-NH2 2.97Å; K212-R216 HydrophobicContact CB-CG 4.25Å; K212-R216 VanDerWaalsContact O-CB 3.31Å; K212-R216 WeakPolarHBondContact O-CB 3.34Å; K212-R216 VanDerWaalsContact O-CG 3.28Å; K212-R216 WeakPolarHBondContact O-CG 3.32Å; K212-R216 PolarHBondContact O-N 3.28Å; Y213-R216 WeakPolarHBondContact O-CB 3.35Å; Y213-R216 PolarHBondContact O-N 3.47Å; R214-R216 VanDerWaalsContact C-N 3.28Å; R214-R216 PolarHBondContact O-N 3.18Å; R216-V219 PolarHBondContact O-N 3.16Å; R216-A220 PolarHBondContact O-N 3.23Å
217L93.6Very high93.9Very high0 Ų057 Ų570%026%0.264CS..Hα-helixtrans-65.3-40177.7-67.2-170.7000113.7I184 F191 L200 L202 Y213 R214 V219 A220 C221 L227I184-L217 HydrophobicContact CD1-CD1 4.42Å; I184-L217 HydrophobicContact CD1-CD2 3.49Å; I184-L217 VanDerWaalsContact CD1-CD2 3.49Å; I184-L217 HydrophobicContact CD1-CG 3.82Å; F191-L217 HydrophobicContact CD2-CD2 3.53Å; F191-L217 HydrophobicContact CE2-CD1 4.37Å; F191-L217 HydrophobicContact CE2-CD2 3.69Å; L200-L217 HydrophobicContact CD2-CD1 4.11Å; L202-L217 HydrophobicContact CD1-CD1 3.7Å; Y213-L217 HydrophobicContact CD2-CD1 4.01Å; Y213-L217 HydrophobicContact CD2-CG 4.4Å; Y213-L217 HydrophobicContact CE1-CD1 4.45Å; Y213-L217 HydrophobicContact CE2-CD1 3.28Å; Y213-L217 HydrophobicContact CE2-CG 4.13Å; Y213-L217 WeakPolarHBondContact O-CG 3.15Å; Y213-L217 PolarHBondContact O-N 3.4Å; Y213-L217 VanDerWaalsContact O-N 3.13Å; R214-L217 PolarHBondContact O-N 3.44Å; L217-V219 PolarHBondContact O-N 2.8Å; L217-A220 PolarHBondContact O-N 3.12Å; L217-C221 PolarHBondContact O-N 3.05Å; L217-L227 HydrophobicContact CB-CD2 3.94Å; L217-L227 HydrophobicContact CD1-CD1 4.13Å; L217-L227 HydrophobicContact CD1-CD2 4.21Å
218I93.6Very high93.9Very high5 Ų558.7 Ų58.73%0.02627%0.274CS..Hα-helixtrans-59.2-34.9176.4-72.5167.7000111.3R214 L227 I232 R237 L240R214-I218 HydrophobicContact CG-CD1 3.83Å; R214-I218 HydrophobicContact CG-CG1 4.46Å; R214-I218 WeakPolarHBondContact O-CB 3.4Å; R214-I218 VanDerWaalsContact O-CG1 3.22Å; R214-I218 WeakPolarHBondContact O-CG1 3.22Å; R214-I218 PolarHBondContact O-N 2.98Å; I218-L227 HydrophobicContact CG1-CD2 4.36Å; I218-I232 HydrophobicContact CD1-CD1 4.43Å; I218-I232 HydrophobicContact CD1-CG1 4.11Å; I218-I232 HydrophobicContact CD1-CG2 4.15Å; I218-I232 HydrophobicContact CG1-CD1 3.78Å; I218-I232 HydrophobicContact CG1-CG1 4.01Å; I218-I232 HydrophobicContact CG1-CG2 4.17Å; I218-I232 HydrophobicContact CG2-CG2 3.98Å; I218-R237 HydrophobicContact CG2-CB 3.98Å; I218-R237 HydrophobicContact CG2-CG 3.77Å; I218-L240 HydrophobicContact CB-CD1 4.23Å; I218-L240 HydrophobicContact CD1-CD1 4.31Å; I218-L240 HydrophobicContact CG2-CD1 3.94Å
219V91.6Very high93.8Very high24 Ų2460 Ų6015%0.14529%0.294CS..Hα-helixtrans-81.5-33.2179.2178.50000112.1D215 R216 L217 L240 V241 K244D215-V219 VanDerWaalsContact O-CG2 3.3Å; D215-V219 WeakPolarHBondContact O-CG2 3.45Å; D215-V219 PolarHBondContact O-N 2.97Å; R216-V219 PolarHBondContact O-N 3.16Å; L217-V219 PolarHBondContact O-N 2.8Å; V219-L240 HydrophobicContact CG2-CB 3.63Å; V219-V241 HydrophobicContact CG1-CG2 4.34Å; V219-V241 HydrophobicContact CG2-CG2 4.32Å; V219-K244 HydrophobicContact CB-CD 4.38Å; V219-K244 HydrophobicContact CG1-CB 4.41Å; V219-K244 HydrophobicContact CG1-CD 3.37Å; V219-K244 HydrophobicContact CG1-CG 4.49Å
220A91.2Very high93.8Very high10 Ų1057.7 Ų57.78%0.08328%0.284CS..Hα-helixtrans-66.4-41.9174.300000111.8E188 E192 R216 L217E188-A220 HydrophobicContact CG-CB 4.31Å; E192-A220 HydrophobicContact CG-CB 4.1Å; R216-A220 PolarHBondContact O-N 3.23Å; L217-A220 PolarHBondContact O-N 3.12Å
221C90.8Very high93.9Very high4 Ų460.9 Ų60.93%0.02730%0.303CS..  trans-104.693.4-175.1-48.60000112.2F191 L217 K223 L224F191-C221 WeakPolarHBondContact CB-SG 3.37Å; L217-C221 PolarHBondContact O-N 3.05Å; C221-K223 VanDerWaalsContact C-N 3.35Å; C221-K223 PolarHBondContact O-N 3.09Å; C221-L224 HydrophobicContact CB-CB 3.53Å; C221-L224 HydrophobicContact CB-CD2 3.98Å; C221-L224 HydrophobicContact CB-CG 4.29Å; C221-L224 WeakPolarHBondContact O-CB 3.03Å; C221-L224 PolarHBondContact O-N 2.88Å
222Q85.6Confident93.9Very high158 Ų15851.4 Ų51.474%0.73827%0.268SS*.THydrogen-bonded Turntrans-64.6-33.3-172.4-63.5-174.79.400114.6R237Q222-R237 PolarHBondContact O-NE 3.16Å
223K92.6Very high93.9Very high126 Ų12651.5 Ų51.555%0.54827%0.273SS..THydrogen-bonded Turntrans-91.6-1.5-179.2-63.6-163.9-170165.70114.3S195 L197 L198 C221 G225S195-K223 WeakPolarHBondContact O-CD 3.46Å; S195-K223 WeakPolarHBondContact O-CE 3.27Å; L197-K223 CarbonylContact O-C 3.53Å; L197-K223 VanDerWaalsContact O-C 3.29Å; L198-K223 HydrophobicContact CD2-CB 4.18Å; C221-K223 VanDerWaalsContact C-N 3.35Å; C221-K223 PolarHBondContact O-N 3.09Å; K223-G225 PolarHBondContact O-N 3.49Å
224L95.7Very high93.6Very high0 Ų056.4 Ų56.40%030%0.296CS..  trans-66.3109.2-171.7-174.968.5000111L197 L200 C221 T226 L227 I232 R237L197-L224 HydrophobicContact CD2-CD1 4.06Å; L197-L224 HydrophobicContact CG-CD1 4.06Å; L197-L224 WeakPolarHBondContact O-CA 3.46Å; L197-L224 PolarHBondContact O-N 2.98Å; L200-L224 HydrophobicContact CB-CD1 3.46Å; L200-L224 VanDerWaalsContact CB-CD1 3.46Å; L200-L224 HydrophobicContact CB-CD2 4.14Å; L200-L224 HydrophobicContact CB-CG 4.42Å; L200-L224 HydrophobicContact CD2-CD2 4.18Å; C221-L224 HydrophobicContact CB-CB 3.53Å; C221-L224 HydrophobicContact CB-CD2 3.98Å; C221-L224 HydrophobicContact CB-CG 4.29Å; C221-L224 WeakPolarHBondContact O-CB 3.03Å; C221-L224 PolarHBondContact O-N 2.88Å; L224-T226 WeakPolarHBondContact CD1-O 3.27Å; L224-L227 HydrophobicContact CD2-CB 4.02Å; L224-L227 HydrophobicContact CD2-CD1 4.49Å; L224-L227 HydrophobicContact CD2-CD2 4.39Å; L224-I232 HydrophobicContact CB-CD1 4.12Å; L224-I232 HydrophobicContact CD2-CD1 3.75Å; L224-I232 HydrophobicContact CG-CD1 3.67Å; L224-I232 WeakPolarHBondContact O-CD1 3.26Å; L224-R237 PolarHBondContact O-NH2 2.78Å
225G95.5Very high93.3Very high30 Ų3059.5 Ų59.531%0.30932%0.317SS..  trans-82.6-37179.800000113.4L198 K223 I232L198-G225 WeakPolarHBondContact O-CA 3.4Å; L198-G225 PolarHBondContact O-N 3.28Å; K223-G225 PolarHBondContact O-N 3.49Å; G225-I232 PolarHBondContact O-N 3Å
226T97.8Very high93Very high31 Ų3159.8 Ų59.819%0.1932%0.321CS..EExtended strand (participates in β ladder)trans-132.8130.9-175.8-55.40000110.4L198 L200 L224 D231L198-T226 PolarHBondContact O-N 3.25Å; L200-T226 PolarHBondContact N-O 2.91Å; L224-T226 WeakPolarHBondContact CD1-O 3.27Å; T226-D231 PolarHBondContact OG1-OD1 3.49Å
227L97.6Very high92.9Very high0 Ų057.2 Ų57.20%031%0.311CS..EExtended strand (participates in β ladder)trans-128.1125.1175.3174.357.6000110.1L200 R214 L217 I218 L224 G229 K230 I232L200-L227 HydrophobicContact CB-CD1 3.99Å; L200-L227 HydrophobicContact CD2-CD1 3.85Å; L200-L227 HydrophobicContact CG-CD1 3.74Å; L200-L227 CarbonylContact O-C 3.26Å; L200-L227 VanDerWaalsContact O-CA 3.25Å; L200-L227 WeakPolarHBondContact O-CA 3.36Å; R214-L227 HydrophobicContact CB-CD2 4.47Å; R214-L227 HydrophobicContact CG-CD2 3.62Å; R214-L227 HydrophobicContact CG-CG 4.45Å; R214-L227 PolarHBondContact NH1-O 3Å; L217-L227 HydrophobicContact CB-CD2 3.94Å; L217-L227 HydrophobicContact CD1-CD1 4.13Å; L217-L227 HydrophobicContact CD1-CD2 4.21Å; I218-L227 HydrophobicContact CG1-CD2 4.36Å; L224-L227 HydrophobicContact CD2-CB 4.02Å; L224-L227 HydrophobicContact CD2-CD1 4.49Å; L224-L227 HydrophobicContact CD2-CD2 4.39Å; L227-G229 VanDerWaalsContact C-N 3.25Å; L227-G229 PolarHBondContact O-N 2.95Å; L227-K230 PolarHBondContact N-O 3.26Å; L227-K230 PolarHBondContact O-N 2.83Å; L227-K230 VanDerWaalsContact O-O 3.12Å; L227-I232 HydrophobicContact CB-CD1 3.87Å; L227-I232 HydrophobicContact CB-CG1 4.38Å
228D97.3Very high92.7Very high37 Ų3761.7 Ų61.720%0.19833%0.332CS..THydrogen-bonded Turntrans52.342.7178.5-54.4-41.3000112.6L200 L202 S203 Y213 K230L200-D228 PolarHBondContact O-N 2.88Å; L202-D228 PolarHBondContact N-OD1 3.25Å; S203-D228 PolarHBondContact N-OD1 2.98Å; S203-D228 VanDerWaalsContact N-OD1 3.14Å; Y213-D228 WeakPolarHBondContact CE1-OD2 3.33Å; Y213-D228 PolarHBondContact OH-OD1 3.05Å; Y213-D228 PolarHBondContact OH-OD2 3Å; D228-K230 PolarHBondContact O-N 3.42Å
229G94.4Very high92.5Very high68 Ų6867.8 Ų67.870%0.70136%0.358SS*.THydrogen-bonded Turntrans72.58.8-178.900000115.2L227L227-G229 VanDerWaalsContact C-N 3.25Å; L227-G229 PolarHBondContact O-N 2.95Å
230K96Very high92.5Very high143 Ų14367.2 Ų67.262%0.62235%0.354SS*.EExtended strand (participates in β ladder)trans-117.5129.1176.8-64.2-179.9-177178.70111R214 L227 D228R214-K230 PolarHBondContact NH2-O 3.42Å; L227-K230 PolarHBondContact N-O 3.26Å; L227-K230 PolarHBondContact O-N 2.83Å; L227-K230 VanDerWaalsContact O-O 3.12Å; D228-K230 PolarHBondContact O-N 3.42Å
231D96.1Very high92.4Very high130 Ų13069.1 Ų69.170%0.69537%0.365SS*.EExtended strand (participates in β ladder)trans-63.4148.7175.4-61.5-27.3000111.8R214 T226R214-D231 PolarHBondContact NH2-O 3.44Å; T226-D231 PolarHBondContact OG1-OD1 3.49Å
232I94Very high92.3Very high19 Ų1973.2 Ų73.210%0.09739%0.387CS..PPolyproline II helixtrans-103116.3178.1-63.7160.8000107.7I218 L224 G225 L227 R237I218-I232 HydrophobicContact CD1-CD1 4.43Å; I218-I232 HydrophobicContact CD1-CG1 4.11Å; I218-I232 HydrophobicContact CD1-CG2 4.15Å; I218-I232 HydrophobicContact CG1-CD1 3.78Å; I218-I232 HydrophobicContact CG1-CG1 4.01Å; I218-I232 HydrophobicContact CG1-CG2 4.17Å; I218-I232 HydrophobicContact CG2-CG2 3.98Å; L224-I232 HydrophobicContact CB-CD1 4.12Å; L224-I232 HydrophobicContact CD2-CD1 3.75Å; L224-I232 HydrophobicContact CG-CD1 3.67Å; L224-I232 WeakPolarHBondContact O-CD1 3.26Å; G225-I232 PolarHBondContact O-N 3Å; L227-I232 HydrophobicContact CB-CD1 3.87Å; L227-I232 HydrophobicContact CB-CG1 4.38Å; I232-R237 HydrophobicContact CG2-CB 4.34Å; I232-R237 VanDerWaalsContact CG2-NH2 3.34Å
233N90.8Very high92.4Very high90 Ų9070.7 Ų70.748%0.48137%0.371SS..PPolyproline II helixtrans-72.5127.9173.5-176.4-16.8000110.1I235 T236 R237N233-I235 VanDerWaalsContact C-N 3.25Å; N233-I235 PolarHBondContact O-N 2.7Å; N233-I235 PolarHBondContact OD1-N 2.87Å; N233-T236 WeakPolarHBondContact O-CB 3.46Å; N233-T236 PolarHBondContact O-N 3.48Å; N233-R237 PolarHBondContact O-N 3.5Å
234E89.1Confident92.1Very high114 Ų11467.7 Ų67.753%0.53336%0.358SS..Hα-helixtrans-55.4-38.8178.3-164.262.1-115.500112.8T236 R237 Q238E234-T236 VanDerWaalsContact C-N 3.29Å; E234-T236 PolarHBondContact O-N 3.28Å; E234-R237 PolarHBondContact O-N 2.87Å; E234-R237 IonicContact OE1-CZ 3.78Å; E234-R237 IonicContact OE1-NH1 3.89Å; E234-R237 PolarHBondContact OE1-NH1 2.9Å; E234-R237 IonicContact OE2-CZ 2.7Å; E234-R237 IonicContact OE2-NH1 3.9Å; E234-R237 PolarHBondContact OE2-NH1 2.87Å; E234-Q238 PolarHBondContact O-N 2.57Å
235I88.3Confident91.6Very high130 Ų13070.2 Ų70.267%0.66738%0.378SS*.Hα-helixtrans-61.7-42.9178.6-59.9173.9000110N233 F239N233-I235 VanDerWaalsContact C-N 3.25Å; N233-I235 PolarHBondContact O-N 2.7Å; N233-I235 PolarHBondContact OD1-N 2.87Å; I235-F239 WeakPolarHBondContact O-CB 3.48Å; I235-F239 PolarHBondContact O-N 3.14Å
236T86.6Confident91.1Very high67 Ų6771.1 Ų71.141%0.41138%0.383SS..Hα-helixtrans-66.8-42.1177.4-53.50000110.9N233 E234 F239 L240N233-T236 WeakPolarHBondContact O-CB 3.46Å; N233-T236 PolarHBondContact O-N 3.48Å; E234-T236 VanDerWaalsContact C-N 3.29Å; E234-T236 PolarHBondContact O-N 3.28Å; T236-F239 PolarHBondContact O-N 2.99Å; T236-L240 HydrophobicContact CG2-CD1 4.28Å; T236-L240 WeakPolarHBondContact O-CG 3.42Å; T236-L240 PolarHBondContact O-N 2.93Å
237R92.1Very high90.4Very high15 Ų1574.4 Ų74.46%0.05739%0.394CS..Hα-helixtrans-58.6-51.8175.3-173.9-179-56.2106.7-1.9110.9I218 Q222 L224 I232 N233 E234 F239 L240 V241I218-R237 HydrophobicContact CG2-CB 3.98Å; I218-R237 HydrophobicContact CG2-CG 3.77Å; Q222-R237 PolarHBondContact O-NE 3.16Å; L224-R237 PolarHBondContact O-NH2 2.78Å; I232-R237 HydrophobicContact CG2-CB 4.34Å; I232-R237 VanDerWaalsContact CG2-NH2 3.34Å; N233-R237 PolarHBondContact O-N 3.5Å; E234-R237 PolarHBondContact O-N 2.87Å; E234-R237 IonicContact OE1-CZ 3.78Å; E234-R237 IonicContact OE1-NH1 3.89Å; E234-R237 PolarHBondContact OE1-NH1 2.9Å; E234-R237 IonicContact OE2-CZ 2.7Å; E234-R237 IonicContact OE2-NH1 3.9Å; E234-R237 PolarHBondContact OE2-NH1 2.87Å; R237-F239 VanDerWaalsContact C-N 3.28Å; R237-F239 PolarHBondContact O-N 2.99Å; R237-L240 PolarHBondContact O-N 3.08Å; R237-L240 VanDerWaalsContact O-N 3.07Å; R237-V241 HydrophobicContact CG-CG2 4.26Å; R237-V241 WeakPolarHBondContact O-CG2 3.37Å; R237-V241 PolarHBondContact O-N 3.06Å
238Q90.2Very high89.8Confident95 Ų9578.4 Ų78.444%0.44441%0.413SS..Hα-helixtrans-59.9-40-178.5-169.262.357.800112E234 N242E234-Q238 PolarHBondContact O-N 2.57Å; Q238-N242 PolarHBondContact NE2-OD1 2.85Å; Q238-N242 WeakPolarHBondContact O-CB 3.37Å; Q238-N242 PolarHBondContact O-N 3.04Å; Q238-N242 PolarHBondContact O-ND2 2.89Å
239F90.3Very high89.1Confident132 Ų13279.3 Ų79.358%0.57942%0.422SS*.Hα-helixtrans-59.8-48173.6173.7-95.9000112.1I235 T236 R237 N242 W243I235-F239 WeakPolarHBondContact O-CB 3.48Å; I235-F239 PolarHBondContact O-N 3.14Å; T236-F239 PolarHBondContact O-N 2.99Å; R237-F239 VanDerWaalsContact C-N 3.28Å; R237-F239 PolarHBondContact O-N 2.99Å; F239-N242 PolarHBondContact O-N 3.06Å; F239-W243 VanDerWaalsContact O-CB 3.24Å; F239-W243 WeakPolarHBondContact O-CB 3.23Å; F239-W243 PolarHBondContact O-N 2.94Å
240L90.4Very high88.3Confident12 Ų1283 Ų836%0.06342%0.419CS..Hα-helixtrans-64-42.5-179.4-70.8174.1000112.4D215 I218 V219 T236 R237 W243 K244D215-L240 HydrophobicContact CB-CD1 3.98Å; D215-L240 HydrophobicContact CB-CD2 3.89Å; I218-L240 HydrophobicContact CB-CD1 4.23Å; I218-L240 HydrophobicContact CD1-CD1 4.31Å; I218-L240 HydrophobicContact CG2-CD1 3.94Å; V219-L240 HydrophobicContact CG2-CB 3.63Å; T236-L240 HydrophobicContact CG2-CD1 4.28Å; T236-L240 WeakPolarHBondContact O-CG 3.42Å; T236-L240 PolarHBondContact O-N 2.93Å; R237-L240 PolarHBondContact O-N 3.08Å; R237-L240 VanDerWaalsContact O-N 3.07Å; L240-W243 PolarHBondContact O-N 3.42Å; L240-K244 PolarHBondContact O-N 2.93Å
241V88.8Confident87.4Confident51 Ų5182.7 Ų82.731%0.30942%0.418SS..Hα-helixtrans-61.5-50.3176.5171.80000110.4V219 R237 W243 K244 A245V219-V241 HydrophobicContact CG1-CG2 4.34Å; V219-V241 HydrophobicContact CG2-CG2 4.32Å; R237-V241 HydrophobicContact CG-CG2 4.26Å; R237-V241 WeakPolarHBondContact O-CG2 3.37Å; R237-V241 PolarHBondContact O-N 3.06Å; V241-W243 VanDerWaalsContact C-N 3.29Å; V241-W243 PolarHBondContact O-N 2.94Å; V241-K244 PolarHBondContact O-N 3.29Å; V241-A245 PolarHBondContact O-N 3.14Å
242N89.7Confident86.4Confident90 Ų9084.9 Ų84.948%0.48142%0.416SS..Hα-helixtrans-61.3-39.2177.9-70.1-9000111.6Q238 F239 A245 A246Q238-N242 PolarHBondContact NE2-OD1 2.85Å; Q238-N242 WeakPolarHBondContact O-CB 3.37Å; Q238-N242 PolarHBondContact O-N 3.04Å; Q238-N242 PolarHBondContact O-ND2 2.89Å; F239-N242 PolarHBondContact O-N 3.06Å; N242-A245 PolarHBondContact O-N 3.26Å; N242-A246 WeakPolarHBondContact O-CB 3.36Å; N242-A246 PolarHBondContact O-N 2.83Å
243W86.4Confident85.4Confident105 Ų10590.8 Ų90.840%0.39844%0.441SS..Hα-helixtrans-64.9-42.4177.2179.886.5000112.3F239 L240 V241 A246 K247F239-W243 VanDerWaalsContact O-CB 3.24Å; F239-W243 WeakPolarHBondContact O-CB 3.23Å; F239-W243 PolarHBondContact O-N 2.94Å; L240-W243 PolarHBondContact O-N 3.42Å; V241-W243 VanDerWaalsContact C-N 3.29Å; V241-W243 PolarHBondContact O-N 2.94Å; W243-A246 PolarHBondContact O-N 2.93Å; W243-K247 HydrophobicContact CH2-CD 3.82Å; W243-K247 HydrophobicContact CZ2-CD 4.12Å; W243-K247 HydrophobicContact CZ3-CD 4.36Å; W243-K247 WeakPolarHBondContact O-CB 3.14Å; W243-K247 PolarHBondContact O-N 2.93Å
244K86.9Confident84.4Confident63 Ų6391.1 Ų91.127%0.27444%0.443SS..Hα-helixtrans-61.4-48.2175-170.6179178.5-178.80110.4V219 L240 V241 A246 K247 E248V219-K244 HydrophobicContact CB-CD 4.38Å; V219-K244 HydrophobicContact CG1-CB 4.41Å; V219-K244 HydrophobicContact CG1-CD 3.37Å; V219-K244 HydrophobicContact CG1-CG 4.49Å; L240-K244 PolarHBondContact O-N 2.93Å; V241-K244 PolarHBondContact O-N 3.29Å; K244-A246 PolarHBondContact O-N 3.36Å; K244-K247 WeakPolarHBondContact O-CB 3.16Å; K244-K247 PolarHBondContact O-N 2.8Å; K244-K247 VanDerWaalsContact O-N 3.15Å; K244-E248 WeakPolarHBondContact CE-OE1 3.5Å; K244-E248 WeakPolarHBondContact O-CG 3.5Å; K244-E248 PolarHBondContact O-N 2.78Å
245A85.7Confident83.6Confident53 Ų5392.6 Ų92.644%0.43845%0.448SS..Hα-helixtrans-61-42.7178.400000113.1V241 N242 K247 E248 S249V241-A245 PolarHBondContact O-N 3.14Å; N242-A245 PolarHBondContact O-N 3.26Å; A245-K247 VanDerWaalsContact C-N 3.31Å; A245-K247 PolarHBondContact O-N 2.98Å; A245-E248 PolarHBondContact O-N 3.29Å; A245-S249 PolarHBondContact O-N 2.97Å; A245-S249 PolarHBondContact O-OG 2.81Å; A245-S249 VanDerWaalsContact O-OG 3.13Å
246A83.8Confident82.7Confident48 Ų4891.5 Ų91.540%0.39744%0.443SS..Hα-helixtrans-64.1-36175.900000112.3N242 W243 K244 S249 K250N242-A246 WeakPolarHBondContact O-CB 3.36Å; N242-A246 PolarHBondContact O-N 2.83Å; W243-A246 PolarHBondContact O-N 2.93Å; K244-A246 PolarHBondContact O-N 3.36Å; A246-S249 WeakPolarHBondContact CA-OG 3.32Å; A246-S249 PolarHBondContact O-OG 3.17Å; A246-K250 WeakPolarHBondContact O-CG 3.41Å; A246-K250 PolarHBondContact O-N 2.81Å
247K84.5Confident81.7Confident101 Ų10193.8 Ų93.844%0.43945%0.449SS..Hα-helixtrans-70.8-40.6176.9-168.5-179.1179.5-172.80112W243 K244 A245 K250 K251W243-K247 HydrophobicContact CH2-CD 3.82Å; W243-K247 HydrophobicContact CZ2-CD 4.12Å; W243-K247 HydrophobicContact CZ3-CD 4.36Å; W243-K247 WeakPolarHBondContact O-CB 3.14Å; W243-K247 PolarHBondContact O-N 2.93Å; K244-K247 WeakPolarHBondContact O-CB 3.16Å; K244-K247 PolarHBondContact O-N 2.8Å; K244-K247 VanDerWaalsContact O-N 3.15Å; A245-K247 VanDerWaalsContact C-N 3.31Å; A245-K247 PolarHBondContact O-N 2.98Å; K247-K250 PolarHBondContact O-N 2.98Å; K247-K251 PolarHBondContact O-N 2.81Å
248E84.7Confident80.1Confident83 Ų83100.4 Ų100.439%0.38848%0.483SS..Hα-helixtrans-67.5-41.6177.9-73.9175.9-172.300112.4K244 A245 K250 K251 R252K244-E248 WeakPolarHBondContact CE-OE1 3.5Å; K244-E248 WeakPolarHBondContact O-CG 3.5Å; K244-E248 PolarHBondContact O-N 2.78Å; A245-E248 PolarHBondContact O-N 3.29Å; E248-K250 PolarHBondContact O-N 3.04Å; E248-K251 PolarHBondContact O-N 3.46Å; E248-R252 WeakPolarHBondContact O-CG 3.01Å; E248-R252 PolarHBondContact O-N 2.93Å
249S81.4Confident78.7Confident56 Ų56102.2 Ų102.239%0.39249%0.494SS..Hα-helixtrans-61.9-40.7175.158.90000112.4A245 A246 R252 K253A245-S249 PolarHBondContact O-N 2.97Å; A245-S249 PolarHBondContact O-OG 2.81Å; A245-S249 VanDerWaalsContact O-OG 3.13Å; A246-S249 WeakPolarHBondContact CA-OG 3.32Å; A246-S249 PolarHBondContact O-OG 3.17Å; S249-R252 PolarHBondContact O-N 3.2Å; S249-K253 WeakPolarHBondContact O-CG 3.32Å; S249-K253 PolarHBondContact O-N 3.18Å
250K78.5Confident77.3Confident145 Ų145101 Ų10163%0.6350%0.498SS*.Hα-helixtrans-62.9-44.2172.8-74.2179.1-179.3-176.30112.4A246 K247 E248 R252 K253 N254A246-K250 WeakPolarHBondContact O-CG 3.41Å; A246-K250 PolarHBondContact O-N 2.81Å; K247-K250 PolarHBondContact O-N 2.98Å; E248-K250 PolarHBondContact O-N 3.04Å; K250-R252 VanDerWaalsContact C-N 3.34Å; K250-R252 PolarHBondContact O-N 2.83Å; K250-K253 PolarHBondContact O-N 3.27Å; K250-N254 PolarHBondContact O-N 3.18Å; K250-N254 PolarHBondContact O-OD1 3.04Å
251K76.8Confident75.5Confident138 Ų138110.2 Ų110.260%0.653%0.532SS*.Hα-helixtrans-60.4-42.3175.3-80.1-174.1174.1-171.80112.3K247 E248 N254 K255K247-K251 PolarHBondContact O-N 2.81Å; E248-K251 PolarHBondContact O-N 3.46Å; K251-N254 PolarHBondContact O-N 2.73Å; K251-K255 WeakPolarHBondContact O-CB 3.45Å; K251-K255 PolarHBondContact O-N 3.3Å
252R74.8Confident73.8Confident176 Ų176112.6 Ų112.666%0.66455%0.549SS*.Hα-helixtrans-64-42.7177-73.2179.2-175.6175.13.5111.7E248 S249 K250 K255 N256E248-R252 WeakPolarHBondContact O-CG 3.01Å; E248-R252 PolarHBondContact O-N 2.93Å; S249-R252 PolarHBondContact O-N 3.2Å; K250-R252 VanDerWaalsContact C-N 3.34Å; K250-R252 PolarHBondContact O-N 2.83Å; R252-K255 PolarHBondContact O-N 2.82Å; R252-N256 WeakPolarHBondContact O-CB 3.1Å; R252-N256 PolarHBondContact O-N 2.94Å
253K73.1Confident72Confident142 Ų142114.6 Ų114.662%0.61756%0.564SS**Hα-helixtrans-59.3-51174.4-75-176.7177.5-171.10111.8S249 K250 K255 N256 E257S249-K253 WeakPolarHBondContact O-CG 3.32Å; S249-K253 PolarHBondContact O-N 3.18Å; K250-K253 PolarHBondContact O-N 3.27Å; K253-K255 VanDerWaalsContact C-N 3.32Å; K253-K255 PolarHBondContact O-N 3.2Å; K253-N256 PolarHBondContact O-N 3.43Å; K253-E257 WeakPolarHBondContact O-CG 3.48Å; K253-E257 PolarHBondContact O-N 3.24Å
254N70.8Confident70.4Confident97 Ų97115.9 Ų115.952%0.51958%0.579SS.*Hα-helixtrans-62.1-37.9178.5-69.620.7000112.6K250 K251 E257 M258K250-N254 PolarHBondContact O-N 3.18Å; K250-N254 PolarHBondContact O-OD1 3.04Å; K251-N254 PolarHBondContact O-N 2.73Å; N254-E257 PolarHBondContact O-N 3.1Å; N254-M258 WeakPolarHBondContact O-CG 3.45Å; N254-M258 PolarHBondContact O-N 3.1Å; N254-M258 VanDerWaalsContact O-N 3.08Å
255K72.5Confident68.6Low146 Ų146119 Ų11964%0.63560%0.602SS**Hα-helixtrans-67.3-40.4177.4-169.1177.4-179.1-178.30111.9K251 R252 K253 M258 L259K251-K255 WeakPolarHBondContact O-CB 3.45Å; K251-K255 PolarHBondContact O-N 3.3Å; R252-K255 PolarHBondContact O-N 2.82Å; K253-K255 VanDerWaalsContact C-N 3.32Å; K253-K255 PolarHBondContact O-N 3.2Å; K255-M258 PolarHBondContact O-N 3.48Å; K255-L259 HydrophobicContact CG-CD1 4.34Å; K255-L259 WeakPolarHBondContact O-CD1 3.49Å; K255-L259 PolarHBondContact O-N 3.16Å
256N68.2Low66.9Low106 Ų106128.2 Ų128.257%0.56764%0.636SS**Hα-helixtrans-66.9-39.7175.5-78.95.5000111.7R252 K253 M258 L259 T260R252-N256 WeakPolarHBondContact O-CB 3.1Å; R252-N256 PolarHBondContact O-N 2.94Å; K253-N256 PolarHBondContact O-N 3.43Å; N256-M258 PolarHBondContact O-N 3.28Å; N256-L259 PolarHBondContact O-N 2.68Å; N256-T260 WeakPolarHBondContact O-CG2 3.2Å; N256-T260 PolarHBondContact O-N 3.34Å; N256-T260 PolarHBondContact O-OG1 2.95Å
257E65.6Low66.1Low116 Ų116132.3 Ų132.354%0.54265%0.648SS.*Hα-helixtrans-62.8-39.5175.8-75171.1-176.700112.3K253 N254 L259 T260K253-E257 WeakPolarHBondContact O-CG 3.48Å; K253-E257 PolarHBondContact O-N 3.24Å; N254-E257 PolarHBondContact O-N 3.1Å; E257-L259 VanDerWaalsContact C-N 3.33Å; E257-L259 PolarHBondContact O-N 3.42Å; E257-T260 WeakPolarHBondContact CA-OG1 3.4Å; E257-T260 PolarHBondContact O-N 3.35Å; E257-T260 PolarHBondContact O-OG1 2.89Å
258M60.2Low65.1Low154 Ų154133.9 Ų133.976%0.75966%0.659SS**Hα-helixtrans-68.3-27.1175.5-70.4179.9100.100113.8N254 K255 N256 T260N254-M258 WeakPolarHBondContact O-CG 3.45Å; N254-M258 PolarHBondContact O-N 3.1Å; N254-M258 VanDerWaalsContact O-N 3.08Å; K255-M258 PolarHBondContact O-N 3.48Å; N256-M258 PolarHBondContact O-N 3.28Å; M258-T260 VanDerWaalsContact C-N 3.34Å
259L60.7Low64Low132 Ų132136.7 Ų136.769%0.69167%0.674SS**Hα-helixtrans-80.5-14.6176-77.3158.5000113K255 N256 E257K255-L259 HydrophobicContact CG-CD1 4.34Å; K255-L259 WeakPolarHBondContact O-CD1 3.49Å; K255-L259 PolarHBondContact O-N 3.16Å; N256-L259 PolarHBondContact O-N 2.68Å; E257-L259 VanDerWaalsContact C-N 3.33Å; E257-L259 PolarHBondContact O-N 3.42Å
260T60Low63Low108 Ų108141.5 Ų141.566%0.66369%0.691SS**THydrogen-bonded Turntrans-96.95.2179.551.20000114.2N256 E257 M258N256-T260 WeakPolarHBondContact O-CG2 3.2Å; N256-T260 PolarHBondContact O-N 3.34Å; N256-T260 PolarHBondContact O-OG1 2.95Å; E257-T260 WeakPolarHBondContact CA-OG1 3.4Å; E257-T260 PolarHBondContact O-N 3.35Å; E257-T260 PolarHBondContact O-OG1 2.89Å; M258-T260 VanDerWaalsContact C-N 3.34Å
261W53.4Low62Low205 Ų205141.3 Ų141.378%0.77770%0.695SS**SBendtrans-70.8125.9174.3-80.833.2000109.7V263W261-V263 PolarHBondContact O-N 3.25Å
262P52.3Low61.1Low101 Ų101141.5 Ų141.566%0.65670%0.701SS**  trans-60.5129.4173.3-13.927000108.6D264P262-D264 PolarHBondContact O-N 3.33Å
263V52.8Low60.1Low132 Ų132139 Ų13980%0.870%0.703SS**  trans-69.992.3158.6-174.40000104.6W261 V265W261-V263 PolarHBondContact O-N 3.25Å; V263-V265 VanDerWaalsContact C-N 3.33Å; V263-V265 PolarHBondContact O-N 3.12Å
264D51.8Low59.1Low132 Ų132138.8 Ų138.871%0.70671%0.71SS**  trans-63.6100.7171-82.3-31.5000107.3P262 H266P262-D264 PolarHBondContact O-N 3.33Å; D264-H266 PolarHBondContact O-N 2.73Å
265V49.3Very low58.1Low127 Ų127142.3 Ų142.377%0.7773%0.726SS**  trans-75.8110.1169.3-1720000106.2V263V263-V265 VanDerWaalsContact C-N 3.33Å; V263-V265 PolarHBondContact O-N 3.12Å
266H50.7Low56.8Low248 Ų248141.9 Ų141.9100%1.14873%0.734SS**  trans-110.20161.3-80-0.9000108.7D264D264-H266 PolarHBondContact O-N 2.73Å

Retrieved 266 of 266 residues in 555 ms (Link to these results)

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