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Calcineurin subunit B type 1

Regulatory subunit of calcineurin, a calcium-dependent, calmodulin stimulated protein phosphatase. Confers calcium sensitivity.

AlphaFold DB , UniProt , Accession P63098, Species HUMAN (Homo sapiens, Human), Gene PPP3R1, Length 170 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
1M34.1Very low47.2Very low249 Ų249116.4 Ų116.4100%1.22766%0.66SS**  091.30-79.1168.8144.500107.4
2G40Very low48.6Very low68 Ų68116.8 Ų116.870%0.70167%0.674SS**  trans-80.7122.8173.400000109.1E4G2-E4 PolarHBondContact O-N 3.13Å
3N42.9Very low50.8Low146 Ų146110.1 Ų110.178%0.78164%0.638SS**  trans-58.9113.7-178-97.9-22.5000110.9A5N3-A5 PolarHBondContact O-N 3.1Å; N3-A5 VanDerWaalsContact O-N 3.1Å
4E46.5Very low53.2Low117 Ų117106.5 Ų106.555%0.54761%0.612SS.*THydrogen-bonded Turntrans-73.812.9174.4-64.9-166.9147.400113.8G2G2-E4 PolarHBondContact O-N 3.13Å
5A45.5Very low55.7Low91 Ų91100.5 Ų100.575%0.75258%0.576SS**THydrogen-bonded Turntrans-110.511.9-164.200000115.8N3N3-A5 PolarHBondContact O-N 3.1Å; N3-A5 VanDerWaalsContact O-N 3.1Å
6S52.3Low57.9Low97 Ų9799 Ų9968%0.67857%0.566SS**  trans-139.853.4-179.4680000113.1
7Y52.3Low59.8Low77 Ų7796.7 Ų96.730%0.30256%0.561SS.*  trans-81.5124157.7-65.2-65.4000107.3L9 K28 F72Y7-L9 PolarHBondContact O-N 3.43Å; Y7-L9 VanDerWaalsContact O-N 3.13Å; Y7-K28 WeakPolarHBondContact OH-CE 3.32Å; Y7-K28 PolarHBondContact OH-NZ 3.17Å; Y7-F72 AromaticContact CD1-CD1 3.42Å; Y7-F72 HydrophobicContact CD1-CD1 3.42Å; Y7-F72 VanDerWaalsContact CD1-CD1 3.42Å; Y7-F72 AromaticContact CD1-CE1 3.15Å; Y7-F72 HydrophobicContact CD1-CE1 3.15Å; Y7-F72 HydrophobicContact CD1-CZ 4.11Å; Y7-F72 AromaticContact CE1-CD1 3.43Å; Y7-F72 HydrophobicContact CE1-CD1 3.43Å; Y7-F72 VanDerWaalsContact CE1-CD1 3.43Å; Y7-F72 AromaticContact CE1-CE1 3.35Å; Y7-F72 HydrophobicContact CE1-CE1 3.35Å; Y7-F72 HydrophobicContact CE1-CG 4.14Å; Y7-F72 HydrophobicContact CE1-CZ 4.02Å; Y7-F72 HydrophobicContact CG-CD1 4.5Å; Y7-F72 AromaticContact CG-CE1 3.85Å; Y7-F72 HydrophobicContact CG-CE1 3.85Å
8P49Very low61.7Low86 Ų8697.3 Ų97.356%0.55856%0.562SS**  trans-57.5120179.4-21.231.4000109.5E10 M11P8-E10 PolarHBondContact O-N 3.01Å; P8-E10 VanDerWaalsContact O-N 3.15Å; P8-M11 VanDerWaalsContact O-CG 3.27Å; P8-M11 WeakPolarHBondContact O-CG 3.27Å; P8-M11 PolarHBondContact O-N 3.4Å
9L49.5Very low63.3Low145 Ų14593.4 Ų93.476%0.75954%0.538SS*.THydrogen-bonded Turntrans-66.7-8.3173.3-82.1154.3000112.4Y7 M11 A17Y7-L9 PolarHBondContact O-N 3.43Å; Y7-L9 VanDerWaalsContact O-N 3.13Å; L9-M11 VanDerWaalsContact C-N 3.3Å; L9-M11 PolarHBondContact O-N 3.47Å; L9-A17 HydrophobicContact CD2-CB 4.36Å
10E49.8Very low64.8Low187 Ų18789.5 Ų89.587%0.87452%0.515SS*.THydrogen-bonded Turntrans-93.126178-60.9-173.5172.600113.1P8 C12P8-E10 PolarHBondContact O-N 3.01Å; P8-E10 VanDerWaalsContact O-N 3.15Å; E10-C12 PolarHBondContact O-N 3.45Å
11M57.3Low66.2Low17 Ų1790.5 Ų90.58%0.08451%0.514CS..  trans-71.7124.8167.2-66177.678.300107.8P8 L9 S13 F72 K73 I76P8-M11 VanDerWaalsContact O-CG 3.27Å; P8-M11 WeakPolarHBondContact O-CG 3.27Å; P8-M11 PolarHBondContact O-N 3.4Å; L9-M11 VanDerWaalsContact C-N 3.3Å; L9-M11 PolarHBondContact O-N 3.47Å; M11-S13 PolarHBondContact O-N 3.15Å; M11-F72 HydrophobicContact SD-CE1 4.46Å; M11-K73 VanDerWaalsContact CE-CA 3.44Å; M11-K73 HydrophobicContact CE-CB 4.07Å; M11-K73 HydrophobicContact CE-CG 3.98Å; M11-I76 HydrophobicContact CE-CB 3.29Å; M11-I76 HydrophobicContact CE-CG1 3.61Å; M11-I76 HydrophobicContact CE-CG2 3.48Å; M11-I76 VanDerWaalsContact CE-CG2 3.48Å; M11-I76 HydrophobicContact SD-CB 4.44Å; M11-I76 HydrophobicContact SD-CG1 4.37Å; M11-I76 HydrophobicContact SD-CG2 4.25Å
12C64.5Low69.1Low122 Ų12283.4 Ų83.482%0.82447%0.473SS*.  trans-7167.6179.8-150.70000109.5E10E10-C12 PolarHBondContact O-N 3.45Å
13S76.3Confident71.7Confident29 Ų2980.2 Ų80.220%0.20344%0.44CS..SBendtrans-126.9154.5-170.183.90000111M11 F15 S80M11-S13 PolarHBondContact O-N 3.15Å; S13-F15 PolarHBondContact O-N 3.29Å; S13-F15 PolarHBondContact OG-N 2.86Å; S13-S80 WeakPolarHBondContact CA-OG 2.95Å
14H85.5Confident74.2Confident60 Ų6073.4 Ų73.428%0.27840%0.404SS..SBendtrans-77.50.4174.3-72.3-62.8000113S80 S83 K85 G86 Q90H14-S80 PolarHBondContact CD2-O 3.49Å; H14-S80 PolarHBondContact CD2-OG 2.8Å; H14-S80 VanDerWaalsContact CD2-OG 3.32Å; H14-S80 PolarHBondContact N-OG 2.71Å; H14-S83 WeakPolarHBondContact CB-OG 3.22Å; H14-K85 HydrophobicContact CB-CB 4.02Å; H14-K85 HydrophobicContact CB-CD 4.42Å; H14-K85 VanDerWaalsContact O-CD 3.28Å; H14-K85 WeakPolarHBondContact O-CD 3.39Å; H14-K85 PolarHBondContact O-NZ 3.07Å; H14-G86 WeakPolarHBondContact NE2-CA 3.24Å; H14-Q90 PolarHBondContact NE2-OE1 2.99Å; H14-Q90 VanDerWaalsContact NE2-OE1 3.08Å
15F90Very high76.6Confident17 Ų1773.3 Ų73.38%0.07540%0.402CS..  trans-96.7140.7-170.6-61.7-50000112.7S13 E19 I20 L23 I76 V79 S80 V170S13-F15 PolarHBondContact O-N 3.29Å; S13-F15 PolarHBondContact OG-N 2.86Å; F15-E19 VanDerWaalsContact CA-OE2 3.24Å; F15-E19 WeakPolarHBondContact CA-OE2 3.16Å; F15-E19 HydrophobicContact CB-CB 3.74Å; F15-E19 HydrophobicContact CD1-CB 4.04Å; F15-E19 HydrophobicContact CD1-CG 4.41Å; F15-E19 HydrophobicContact CG-CB 4.17Å; F15-I20 HydrophobicContact CB-CD1 4.48Å; F15-I20 HydrophobicContact CB-CG1 3.79Å; F15-L23 HydrophobicContact CD2-CD1 3.46Å; F15-L23 VanDerWaalsContact CD2-CD1 3.46Å; F15-L23 HydrophobicContact CE2-CD1 3.51Å; F15-L23 HydrophobicContact CG-CD1 4.03Å; F15-L23 HydrophobicContact CZ-CD1 4.15Å; F15-I76 HydrophobicContact CD2-CG2 4.31Å; F15-V79 HydrophobicContact CE2-CB 4.25Å; F15-V79 HydrophobicContact CE2-CG1 3.91Å; F15-V79 HydrophobicContact CZ-CG1 3.84Å; F15-S80 VanDerWaalsContact CE2-CA 3.44Å; F15-V170 HydrophobicContact CE1-CB 4.15Å; F15-V170 HydrophobicContact CE1-CG2 3.65Å; F15-V170 HydrophobicContact CZ-CG2 3.77Å
16D90.8Very high79Confident76 Ų7674.9 Ų74.941%0.40639%0.389SS..  trans-79174.8168.669.441.8000112.1D18 E19 I20D16-D18 VanDerWaalsContact C-N 3.27Å; D16-D18 PolarHBondContact O-N 2.94Å; D16-D18 WeakPolarHBondContact OD1-CA 3.49Å; D16-D18 WeakPolarHBondContact OD1-CB 3.31Å; D16-D18 PolarHBondContact OD1-N 2.89Å; D16-E19 PolarHBondContact N-OE2 3.23Å; D16-E19 PolarHBondContact O-N 3.34Å; D16-E19 WeakPolarHBondContact OD1-CG 3.15Å; D16-E19 PolarHBondContact OD1-N 3.35Å; D16-I20 VanDerWaalsContact O-CG1 3.3Å; D16-I20 WeakPolarHBondContact O-CG1 3.44Å; D16-I20 PolarHBondContact O-N 2.98Å
17A91.3Very high81.1Confident60 Ų6070.5 Ų70.550%0.49636%0.358SS..Hα-helixtrans-61.8-32.9-176.700000113.4L9 K21L9-A17 HydrophobicContact CD2-CB 4.36Å; A17-K21 WeakPolarHBondContact O-CB 3.23Å; A17-K21 PolarHBondContact O-N 3.06Å
18D92.6Very high83.3Confident108 Ų10871.2 Ų71.258%0.57836%0.362SS*.Hα-helixtrans-77.1-37.8179.5-75.9-31.9000111.1D16 K21 R22D16-D18 VanDerWaalsContact C-N 3.27Å; D16-D18 PolarHBondContact O-N 2.94Å; D16-D18 WeakPolarHBondContact OD1-CA 3.49Å; D16-D18 WeakPolarHBondContact OD1-CB 3.31Å; D16-D18 PolarHBondContact OD1-N 2.89Å; D18-K21 PolarHBondContact O-N 3.03Å; D18-R22 WeakPolarHBondContact O-CG 3.36Å; D18-R22 PolarHBondContact O-N 2.81Å; D18-R22 PolarHBondContact O-NH1 3Å; D18-R22 VanDerWaalsContact O-NH1 3.12Å
19E92.5Very high85.5Confident23 Ų2375.4 Ų75.411%0.10737%0.371CS..Hα-helixtrans-60.5-50.4170.9-73.3172.9136.600110.6F15 D16 K21 R22 L23 K85 V170F15-E19 VanDerWaalsContact CA-OE2 3.24Å; F15-E19 WeakPolarHBondContact CA-OE2 3.16Å; F15-E19 HydrophobicContact CB-CB 3.74Å; F15-E19 HydrophobicContact CD1-CB 4.04Å; F15-E19 HydrophobicContact CD1-CG 4.41Å; F15-E19 HydrophobicContact CG-CB 4.17Å; D16-E19 PolarHBondContact N-OE2 3.23Å; D16-E19 PolarHBondContact O-N 3.34Å; D16-E19 WeakPolarHBondContact OD1-CG 3.15Å; D16-E19 PolarHBondContact OD1-N 3.35Å; E19-K21 VanDerWaalsContact C-N 3.3Å; E19-K21 PolarHBondContact O-N 2.77Å; E19-R22 WeakPolarHBondContact O-CB 3.08Å; E19-R22 PolarHBondContact O-N 2.81Å; E19-R22 VanDerWaalsContact O-N 3.09Å; E19-L23 WeakPolarHBondContact O-CG 3.48Å; E19-L23 PolarHBondContact O-N 3.29Å; E19-K85 IonicContact OE2-NZ 3.27Å; E19-K85 PolarHBondContact OE2-NZ 3.07Å; E19-V170 HydrophobicContact CB-CG1 4.42Å
20I94Very high87.8Confident14 Ų1469.3 Ų69.37%0.07234%0.339CS..Hα-helixtrans-59.1-41.6176.4-67.4169.7000110.7F15 D16 R22 L23 G24 F72F15-I20 HydrophobicContact CB-CD1 4.48Å; F15-I20 HydrophobicContact CB-CG1 3.79Å; D16-I20 VanDerWaalsContact O-CG1 3.3Å; D16-I20 WeakPolarHBondContact O-CG1 3.44Å; D16-I20 PolarHBondContact O-N 2.98Å; I20-R22 VanDerWaalsContact C-N 3.35Å; I20-R22 PolarHBondContact O-N 2.91Å; I20-L23 PolarHBondContact O-N 3.29Å; I20-G24 PolarHBondContact O-N 2.89Å; I20-F72 HydrophobicContact CG2-CE1 4.35Å; I20-F72 HydrophobicContact CG2-CZ 4.21Å
21K93.9Very high90.1Very high111 Ų11161 Ų6148%0.48330%0.301SS..Hα-helixtrans-63.8-38.1176.6-171.5177.1-172.21730112.4A17 D18 E19 K25A17-K21 WeakPolarHBondContact O-CB 3.23Å; A17-K21 PolarHBondContact O-N 3.06Å; D18-K21 PolarHBondContact O-N 3.03Å; E19-K21 VanDerWaalsContact C-N 3.3Å; E19-K21 PolarHBondContact O-N 2.77Å; K21-K25 WeakPolarHBondContact O-CG 3.06Å; K21-K25 PolarHBondContact O-N 3.12Å
22R94.9Very high92Very high100 Ų10065.5 Ų65.538%0.37733%0.325SS..Hα-helixtrans-65.5-44.9174.2-73.8-168.8-60.5-80.517.2111.1D18 E19 I20 K25 R26 V170D18-R22 WeakPolarHBondContact O-CG 3.36Å; D18-R22 PolarHBondContact O-N 2.81Å; D18-R22 PolarHBondContact O-NH1 3Å; D18-R22 VanDerWaalsContact O-NH1 3.12Å; E19-R22 WeakPolarHBondContact O-CB 3.08Å; E19-R22 PolarHBondContact O-N 2.81Å; E19-R22 VanDerWaalsContact O-N 3.09Å; I20-R22 VanDerWaalsContact C-N 3.35Å; I20-R22 PolarHBondContact O-N 2.91Å; R22-K25 PolarHBondContact O-N 2.81Å; R22-R26 PolarHBondContact O-N 3.45Å; R22-R26 VanDerWaalsContact O-N 3.17Å; R22-V170 VanDerWaalsContact CZ-O 3.31Å; R22-V170 PolarHBondContact NE-O 3.33Å; R22-V170 PolarHBondContact NH2-O 3.43Å
23L94.6Very high93.5Very high2 Ų264.7 Ų64.71%0.0131%0.313CS..Hα-helixtrans-62.1-42.8176.3-70.3170.6000111.7F15 E19 I20 K25 R26 F27 F75 I76 V79 V170F15-L23 HydrophobicContact CD2-CD1 3.46Å; F15-L23 VanDerWaalsContact CD2-CD1 3.46Å; F15-L23 HydrophobicContact CE2-CD1 3.51Å; F15-L23 HydrophobicContact CG-CD1 4.03Å; F15-L23 HydrophobicContact CZ-CD1 4.15Å; E19-L23 WeakPolarHBondContact O-CG 3.48Å; E19-L23 PolarHBondContact O-N 3.29Å; I20-L23 PolarHBondContact O-N 3.29Å; L23-K25 VanDerWaalsContact C-N 3.28Å; L23-K25 PolarHBondContact O-N 3.29Å; L23-R26 WeakPolarHBondContact O-CA 3.45Å; L23-R26 WeakPolarHBondContact O-CB 3.24Å; L23-R26 PolarHBondContact O-N 2.92Å; L23-F27 PolarHBondContact O-N 2.68Å; L23-F75 HydrophobicContact CB-CE1 4.22Å; L23-F75 HydrophobicContact CD2-CE1 4.09Å; L23-I76 HydrophobicContact CB-CD1 3.49Å; L23-I76 VanDerWaalsContact CB-CD1 3.49Å; L23-I76 HydrophobicContact CD1-CD1 3.48Å; L23-I76 VanDerWaalsContact CD1-CD1 3.48Å; L23-I76 HydrophobicContact CG-CD1 4.1Å; L23-V79 HydrophobicContact CD1-CG1 4.44Å; L23-V79 HydrophobicContact CD2-CG1 4.1Å; L23-V170 HydrophobicContact CD1-CG1 3.87Å; L23-V170 HydrophobicContact CD2-CG1 3.6Å; L23-V170 HydrophobicContact CD2-CG2 4.18Å; L23-V170 HydrophobicContact CG-CG1 3.49Å; L23-V170 VanDerWaalsContact CG-CG1 3.49Å
24G96.1Very high94.5Very high3 Ų369.5 Ų69.53%0.03134%0.336CS..Hα-helixtrans-58.4-36.3174.700000113.6I20 K28 F72I20-G24 PolarHBondContact O-N 2.89Å; G24-K28 WeakPolarHBondContact O-CG 3.47Å; G24-K28 PolarHBondContact O-N 3.34Å; G24-K28 VanDerWaalsContact O-N 3.08Å; G24-F72 VanDerWaalsContact CA-CE2 3.43Å
25K96.8Very high95.1Very high115 Ų11569.6 Ų69.650%0.534%0.343SS..Hα-helixtrans-70.1-31.6172.8-69.3177.5-177-178.10113.1K21 R22 L23 K29K21-K25 WeakPolarHBondContact O-CG 3.06Å; K21-K25 PolarHBondContact O-N 3.12Å; R22-K25 PolarHBondContact O-N 2.81Å; L23-K25 VanDerWaalsContact C-N 3.28Å; L23-K25 PolarHBondContact O-N 3.29Å; K25-K29 VanDerWaalsContact O-CG 3.3Å; K25-K29 WeakPolarHBondContact O-CG 3.49Å
26R94.8Very high95.5Very high123 Ų12370.6 Ų70.646%0.46436%0.358SS..Hα-helixtrans-73.2-45.5175.5-68.2-177-175.6159.911.1110.4R22 L23 K28 K29 L30 V170R22-R26 PolarHBondContact O-N 3.45Å; R22-R26 VanDerWaalsContact O-N 3.17Å; L23-R26 WeakPolarHBondContact O-CA 3.45Å; L23-R26 WeakPolarHBondContact O-CB 3.24Å; L23-R26 PolarHBondContact O-N 2.92Å; R26-K28 PolarHBondContact O-N 3.22Å; R26-K29 WeakPolarHBondContact O-CB 3.3Å; R26-K29 PolarHBondContact O-N 3.36Å; R26-K29 VanDerWaalsContact O-N 3.09Å; R26-L30 PolarHBondContact O-N 3.43Å; R26-V170 PolarHBondContact NH2-OXT 2.76Å
27F97.1Very high95.8Very high6 Ų667.9 Ų67.93%0.02635%0.346CS..Hα-helixtrans-54-54.6175.4-174.2-84000111.5L23 K29 L30 D31 G36 L38 F72 F75L23-F27 PolarHBondContact O-N 2.68Å; F27-K29 PolarHBondContact O-N 2.92Å; F27-L30 WeakPolarHBondContact O-CA 3.41Å; F27-L30 PolarHBondContact O-N 3.23Å; F27-D31 HydrophobicContact CD1-CB 4.46Å; F27-D31 HydrophobicContact CE1-CB 4.28Å; F27-D31 PolarHBondContact O-N 3.09Å; F27-G36 WeakPolarHBondContact CE1-O 3.47Å; F27-G36 VanDerWaalsContact CZ-O 3.31Å; F27-G36 WeakPolarHBondContact CZ-O 3.3Å; F27-L38 HydrophobicContact CD2-CD1 3.54Å; F27-L38 HydrophobicContact CD2-CD2 4.44Å; F27-L38 HydrophobicContact CD2-CG 3.91Å; F27-L38 HydrophobicContact CE2-CD1 3.5Å; F27-L38 HydrophobicContact CE2-CD2 4.25Å; F27-L38 HydrophobicContact CE2-CG 3.46Å; F27-L38 VanDerWaalsContact CE2-CG 3.46Å; F27-L38 HydrophobicContact CG-CD1 4.43Å; F27-L38 HydrophobicContact CZ-CD1 4.34Å; F27-L38 HydrophobicContact CZ-CD2 4.32Å; F27-L38 HydrophobicContact CZ-CG 3.81Å; F27-F72 HydrophobicContact CB-CD2 3.8Å; F27-F72 HydrophobicContact CB-CE2 4Å; F27-F72 HydrophobicContact CD1-CB 4.46Å; F27-F72 HydrophobicContact CD1-CD2 4.02Å; F27-F72 HydrophobicContact CD2-CB 4.43Å; F27-F72 AromaticContact CD2-CD2 3.74Å; F27-F72 HydrophobicContact CD2-CD2 3.74Å; F27-F72 HydrophobicContact CE1-CB 4.21Å; F27-F72 HydrophobicContact CE2-CB 4.14Å; F27-F72 HydrophobicContact CE2-CD2 4.29Å; F27-F72 AromaticContact CG-CD2 3.57Å; F27-F72 HydrophobicContact CG-CD2 3.57Å; F27-F72 HydrophobicContact CG-CE2 4.29Å; F27-F72 HydrophobicContact CZ-CB 4.03Å; F27-F75 HydrophobicContact CB-CD1 4.41Å; F27-F75 HydrophobicContact CB-CE1 4.43Å; F27-F75 HydrophobicContact CD2-CB 3.79Å; F27-F75 AromaticContact CD2-CD1 3.88Å; F27-F75 HydrophobicContact CD2-CD1 3.88Å; F27-F75 HydrophobicContact CD2-CD2 4.25Å; F27-F75 AromaticContact CD2-CG 3.71Å; F27-F75 HydrophobicContact CD2-CG 3.71Å; F27-F75 HydrophobicContact CE2-CB 3.89Å; F27-F75 HydrophobicContact CE2-CG 4.27Å
28K97.4Very high96.1Very high92 Ų9265 Ų6540%0.432%0.322SS..Hα-helixtrans-61.1-18.6178.2-72.3-179.3-175.4176.90115.2Y7 G24 R26Y7-K28 WeakPolarHBondContact OH-CE 3.32Å; Y7-K28 PolarHBondContact OH-NZ 3.17Å; G24-K28 WeakPolarHBondContact O-CG 3.47Å; G24-K28 PolarHBondContact O-N 3.34Å; G24-K28 VanDerWaalsContact O-N 3.08Å; R26-K28 PolarHBondContact O-N 3.22Å
29K96.9Very high96.4Very high173 Ų17360.8 Ų60.875%0.75230%0.301SS*.Hα-helixtrans-85.3-25.7174.8-76.8177.1178.2-170.70112K25 R26 F27K25-K29 VanDerWaalsContact O-CG 3.3Å; K25-K29 WeakPolarHBondContact O-CG 3.49Å; R26-K29 WeakPolarHBondContact O-CB 3.3Å; R26-K29 PolarHBondContact O-N 3.36Å; R26-K29 VanDerWaalsContact O-N 3.09Å; F27-K29 PolarHBondContact O-N 2.92Å
30L96.7Very high96.5Very high17 Ų1761.4 Ų61.49%0.08931%0.306CS..Hα-helixtrans-88.3-33.7-179.9-168.661.3000111.3R26 F27 L32 L38 E42 F43 L46R26-L30 PolarHBondContact O-N 3.43Å; F27-L30 WeakPolarHBondContact O-CA 3.41Å; F27-L30 PolarHBondContact O-N 3.23Å; L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 WeakPolarHBondContact O-CG 3.46Å; L30-L32 PolarHBondContact O-N 3.16Å; L30-L38 HydrophobicContact CB-CD2 3.79Å; L30-L38 HydrophobicContact CD2-CD1 3.73Å; L30-L38 HydrophobicContact CD2-CD2 4.14Å; L30-L38 HydrophobicContact CD2-CG 4.49Å; L30-L38 HydrophobicContact CG-CD1 4.36Å; L30-L38 HydrophobicContact CG-CD2 3.83Å; L30-E42 WeakPolarHBondContact CD1-O 3.28Å; L30-E42 WeakPolarHBondContact O-CB 3.4Å; L30-E42 WeakPolarHBondContact O-CG 3.5Å; L30-F43 HydrophobicContact CD2-CD1 4.01Å; L30-F43 HydrophobicContact CD2-CE1 4.1Å; L30-L46 HydrophobicContact CD1-CD1 3.95Å; L30-L46 HydrophobicContact CD1-CD2 3.98Å; L30-L46 HydrophobicContact CD1-CG 3.72Å; L30-L46 HydrophobicContact CD2-CD1 4.21Å
31D97.9Very high96.6Very high13 Ų1367.5 Ų67.57%0.0733%0.334CS..  trans-68.787.8168.8178.65.3000109F27 N34 S35 G36 L38 E42F27-D31 HydrophobicContact CD1-CB 4.46Å; F27-D31 HydrophobicContact CE1-CB 4.28Å; F27-D31 PolarHBondContact O-N 3.09Å; D31-N34 WeakPolarHBondContact OD1-CA 3.47Å; D31-N34 PolarHBondContact OD1-N 2.77Å; D31-N34 WeakPolarHBondContact OD2-CA 3.46Å; D31-S35 PolarHBondContact OD1-N 2.96Å; D31-G36 WeakPolarHBondContact OD2-CA 3.26Å; D31-G36 PolarHBondContact OD2-N 3.08Å; D31-L38 HydrophobicContact CB-CD2 3.81Å; D31-L38 VanDerWaalsContact N-CD2 3.3Å; D31-E42 WeakPolarHBondContact CA-OE1 3.49Å
32L97.2Very high96.8Very high112 Ų11262.5 Ų62.559%0.58631%0.312SS*.SBendtrans-76.5-31.1-172.8-64.8-178.8000111.5L30 E42L30-L32 VanDerWaalsContact C-N 3.34Å; L30-L32 WeakPolarHBondContact O-CG 3.46Å; L30-L32 PolarHBondContact O-N 3.16Å; L32-E42 HydrophobicContact CB-CG 4.26Å; L32-E42 HydrophobicContact CD1-CG 4.35Å; L32-E42 HydrophobicContact CG-CG 4.17Å; L32-E42 PolarHBondContact N-OE1 3.39Å
33D97.3Very high96.9Very high105 Ų10558.5 Ų58.556%0.56130%0.298SS*.SBendtrans-95-7.7-179.477.2-3.2000113.9S35 E42D33-S35 VanDerWaalsContact C-N 3.3Å; D33-S35 WeakPolarHBondContact OD1-CB 3.43Å; D33-S35 PolarHBondContact OD1-N 3.17Å; D33-S35 PolarHBondContact OD1-OG 3.29Å; D33-E42 PolarHBondContact N-OE1 2.82Å
34N96.9Very high96.9Very high130 Ų13061.5 Ų61.570%0.69531%0.313SS*.  trans6431.5-177-51.6-99.3000113D31 G36D31-N34 WeakPolarHBondContact OD1-CA 3.47Å; D31-N34 PolarHBondContact OD1-N 2.77Å; D31-N34 WeakPolarHBondContact OD2-CA 3.46Å; N34-G36 PolarHBondContact O-N 3.48Å
35S97.7Very high96.9Very high61 Ų6163.7 Ų63.743%0.42733%0.327SS..  trans-65.1-26.2173.759.50000112.3D31 D33 S37D31-S35 PolarHBondContact OD1-N 2.96Å; D33-S35 VanDerWaalsContact C-N 3.3Å; D33-S35 WeakPolarHBondContact OD1-CB 3.43Å; D33-S35 PolarHBondContact OD1-N 3.17Å; D33-S35 PolarHBondContact OD1-OG 3.29Å; S35-S37 PolarHBondContact OG-N 2.83Å; S35-S37 PolarHBondContact OG-O 3.24Å; S35-S37 VanDerWaalsContact OG-O 3.06Å
36G97.2Very high96.8Very high38 Ų3861.2 Ų61.239%0.39232%0.319SS..SBendtrans89.81.9-171.200000113.9F27 D31 N34F27-G36 WeakPolarHBondContact CE1-O 3.47Å; F27-G36 VanDerWaalsContact CZ-O 3.31Å; F27-G36 WeakPolarHBondContact CZ-O 3.3Å; D31-G36 WeakPolarHBondContact OD2-CA 3.26Å; D31-G36 PolarHBondContact OD2-N 3.08Å; N34-G36 PolarHBondContact O-N 3.48Å
37S98.2Very high96.8Very high20 Ų2059.6 Ų59.614%0.1433%0.325CS..EExtended strand (participates in β ladder)trans-129.3164.6176.2-62.10000109.7S35 E69 V70S35-S37 PolarHBondContact OG-N 2.83Å; S35-S37 PolarHBondContact OG-O 3.24Å; S35-S37 VanDerWaalsContact OG-O 3.06Å; S37-E69 VanDerWaalsContact CB-OE2 3.23Å; S37-E69 WeakPolarHBondContact CB-OE2 3.35Å; S37-V70 CarbonylContact C-O 3.58Å
38L98.3Very high96.6Very high0 Ų066.7 Ų66.70%036%0.358CS..EExtended strand (participates in β ladder)trans-113.1114.5176.6-60.9174.6000110F27 L30 D31 E42 F43 E69 V70 F75F27-L38 HydrophobicContact CD2-CD1 3.54Å; F27-L38 HydrophobicContact CD2-CD2 4.44Å; F27-L38 HydrophobicContact CD2-CG 3.91Å; F27-L38 HydrophobicContact CE2-CD1 3.5Å; F27-L38 HydrophobicContact CE2-CD2 4.25Å; F27-L38 HydrophobicContact CE2-CG 3.46Å; F27-L38 VanDerWaalsContact CE2-CG 3.46Å; F27-L38 HydrophobicContact CG-CD1 4.43Å; F27-L38 HydrophobicContact CZ-CD1 4.34Å; F27-L38 HydrophobicContact CZ-CD2 4.32Å; F27-L38 HydrophobicContact CZ-CG 3.81Å; L30-L38 HydrophobicContact CB-CD2 3.79Å; L30-L38 HydrophobicContact CD2-CD1 3.73Å; L30-L38 HydrophobicContact CD2-CD2 4.14Å; L30-L38 HydrophobicContact CD2-CG 4.49Å; L30-L38 HydrophobicContact CG-CD1 4.36Å; L30-L38 HydrophobicContact CG-CD2 3.83Å; D31-L38 HydrophobicContact CB-CD2 3.81Å; D31-L38 VanDerWaalsContact N-CD2 3.3Å; L38-E42 WeakPolarHBondContact CA-OE2 3.45Å; L38-F43 HydrophobicContact CB-CD2 4.06Å; L38-F43 HydrophobicContact CB-CE2 3.47Å; L38-F43 VanDerWaalsContact CB-CE2 3.47Å; L38-F43 HydrophobicContact CB-CZ 3.97Å; L38-F43 HydrophobicContact CD1-CE1 4.2Å; L38-F43 HydrophobicContact CD1-CE2 4.07Å; L38-F43 HydrophobicContact CD1-CZ 3.66Å; L38-F43 HydrophobicContact CG-CE2 4.44Å; L38-E69 WeakPolarHBondContact O-CA 3.5Å; L38-V70 HydrophobicContact CB-CB 4.37Å; L38-V70 PolarHBondContact N-O 2.96Å; L38-V70 PolarHBondContact O-N 2.76Å; L38-F75 HydrophobicContact CD1-CD2 3.96Å; L38-F75 HydrophobicContact CD1-CE2 4.36Å
39S97.4Very high96.5Very high19 Ų1964.5 Ų64.513%0.13335%0.35CS..  trans-73.3163.2170.461.50000112E41 E42 F43S39-E41 VanDerWaalsContact C-N 3.25Å; S39-E41 PolarHBondContact O-N 2.96Å; S39-E42 PolarHBondContact N-OE2 2.91Å; S39-E42 PolarHBondContact O-N 2.83Å; S39-E42 WeakPolarHBondContact OG-CB 3.46Å; S39-E42 VanDerWaalsContact OG-CD 3.29Å; S39-E42 VanDerWaalsContact OG-CG 3.25Å; S39-E42 WeakPolarHBondContact OG-CG 3.31Å; S39-E42 PolarHBondContact OG-N 2.76Å; S39-E42 PolarHBondContact OG-OE2 3.19Å; S39-F43 WeakPolarHBondContact O-CD2 3.35Å; S39-F43 PolarHBondContact O-N 3.05Å; S39-F43 VanDerWaalsContact O-N 3.12Å
40V95.8Very high96.3Very high35 Ų3560.7 Ų60.721%0.21234%0.335CS..Hα-helixtrans-57.8-41.9173.3177.40000110.7E42 F43 M44 I59V40-E42 VanDerWaalsContact C-N 3.29Å; V40-E42 PolarHBondContact O-N 3.07Å; V40-F43 PolarHBondContact O-N 3.09Å; V40-M44 HydrophobicContact CG1-CG 4.18Å; V40-M44 WeakPolarHBondContact O-CB 3.46Å; V40-M44 WeakPolarHBondContact O-CG 3.48Å; V40-M44 PolarHBondContact O-N 3.49Å; V40-I59 HydrophobicContact CB-CD1 4.37Å; V40-I59 HydrophobicContact CG1-CD1 4.29Å; V40-I59 HydrophobicContact CG2-CD1 4.1Å; V40-I59 HydrophobicContact CG2-CG2 4.36Å
41E96.3Very high96.1Very high142 Ų14268.1 Ų68.166%0.66437%0.369SS*.Hα-helixtrans-60-38.8178.4-71.471.2-161.100112.2S39 M44 S45S39-E41 VanDerWaalsContact C-N 3.25Å; S39-E41 PolarHBondContact O-N 2.96Å; E41-M44 CarbonylContact O-C 3.6Å; E41-M44 PolarHBondContact O-N 2.9Å; E41-S45 PolarHBondContact O-N 2.75Å
42E97.8Very high96Very high7 Ų770.9 Ų70.93%0.03338%0.384CS..Hα-helixtrans-68.6-44176.7-75.9166.4139.900111.7L30 D31 L32 D33 L38 S39 V40 M44 S45L30-E42 WeakPolarHBondContact CD1-O 3.28Å; L30-E42 WeakPolarHBondContact O-CB 3.4Å; L30-E42 WeakPolarHBondContact O-CG 3.5Å; D31-E42 WeakPolarHBondContact CA-OE1 3.49Å; L32-E42 HydrophobicContact CB-CG 4.26Å; L32-E42 HydrophobicContact CD1-CG 4.35Å; L32-E42 HydrophobicContact CG-CG 4.17Å; L32-E42 PolarHBondContact N-OE1 3.39Å; D33-E42 PolarHBondContact N-OE1 2.82Å; L38-E42 WeakPolarHBondContact CA-OE2 3.45Å; S39-E42 PolarHBondContact N-OE2 2.91Å; S39-E42 PolarHBondContact O-N 2.83Å; S39-E42 WeakPolarHBondContact OG-CB 3.46Å; S39-E42 VanDerWaalsContact OG-CD 3.29Å; S39-E42 VanDerWaalsContact OG-CG 3.25Å; S39-E42 WeakPolarHBondContact OG-CG 3.31Å; S39-E42 PolarHBondContact OG-N 2.76Å; S39-E42 PolarHBondContact OG-OE2 3.19Å; V40-E42 VanDerWaalsContact C-N 3.29Å; V40-E42 PolarHBondContact O-N 3.07Å; E42-M44 VanDerWaalsContact C-N 3.27Å; E42-M44 PolarHBondContact O-N 2.95Å; E42-S45 WeakPolarHBondContact O-CB 3.5Å; E42-S45 PolarHBondContact O-N 2.86Å; E42-S45 PolarHBondContact O-OG 2.83Å
43F96.3Very high95.9Very high16 Ų1668.5 Ų68.57%0.0738%0.375CS..Hα-helixtrans-57.6-41.8170-80.6-75.1000111.9L30 L38 S39 V40 S45 L46 L49 V55 I59 V70L30-F43 HydrophobicContact CD2-CD1 4.01Å; L30-F43 HydrophobicContact CD2-CE1 4.1Å; L38-F43 HydrophobicContact CB-CD2 4.06Å; L38-F43 HydrophobicContact CB-CE2 3.47Å; L38-F43 VanDerWaalsContact CB-CE2 3.47Å; L38-F43 HydrophobicContact CB-CZ 3.97Å; L38-F43 HydrophobicContact CD1-CE1 4.2Å; L38-F43 HydrophobicContact CD1-CE2 4.07Å; L38-F43 HydrophobicContact CD1-CZ 3.66Å; L38-F43 HydrophobicContact CG-CE2 4.44Å; S39-F43 WeakPolarHBondContact O-CD2 3.35Å; S39-F43 PolarHBondContact O-N 3.05Å; S39-F43 VanDerWaalsContact O-N 3.12Å; V40-F43 PolarHBondContact O-N 3.09Å; F43-S45 PolarHBondContact O-N 3.12Å; F43-L46 WeakPolarHBondContact O-CB 3.34Å; F43-L46 PolarHBondContact O-N 2.93Å; F43-L46 VanDerWaalsContact O-N 3.15Å; F43-L49 HydrophobicContact CB-CD1 4.48Å; F43-L49 HydrophobicContact CD1-CD1 4.23Å; F43-V55 HydrophobicContact CB-CG1 4.49Å; F43-I59 HydrophobicContact CB-CD1 3.81Å; F43-I59 HydrophobicContact CD2-CD1 3.55Å; F43-I59 HydrophobicContact CD2-CG1 3.76Å; F43-I59 HydrophobicContact CE2-CD1 4.29Å; F43-I59 HydrophobicContact CE2-CG1 4.02Å; F43-I59 HydrophobicContact CG-CD1 3.79Å; F43-I59 HydrophobicContact CG-CG1 4.11Å; F43-V70 HydrophobicContact CE2-CB 3.98Å; F43-V70 HydrophobicContact CE2-CG2 3.9Å; F43-V70 HydrophobicContact CZ-CB 4.18Å; F43-V70 HydrophobicContact CZ-CG1 4.42Å; F43-V70 HydrophobicContact CZ-CG2 4.25Å
44M95.7Very high95.8Very high65 Ų6565.3 Ų65.332%0.3236%0.358SS..THydrogen-bonded Turntrans-73.9-6.8179.1-65.4-63.1-77.300113.6V40 E41 E42 L46 Q50 V55V40-M44 HydrophobicContact CG1-CG 4.18Å; V40-M44 WeakPolarHBondContact O-CB 3.46Å; V40-M44 WeakPolarHBondContact O-CG 3.48Å; V40-M44 PolarHBondContact O-N 3.49Å; E41-M44 CarbonylContact O-C 3.6Å; E41-M44 PolarHBondContact O-N 2.9Å; E42-M44 VanDerWaalsContact C-N 3.27Å; E42-M44 PolarHBondContact O-N 2.95Å; M44-L46 PolarHBondContact O-N 3.34Å; M44-Q50 WeakPolarHBondContact CE-O 3.47Å; M44-Q50 WeakPolarHBondContact O-CG 3.19Å; M44-Q50 PolarHBondContact O-NE2 2.72Å; M44-V55 HydrophobicContact SD-CB 4.31Å; M44-V55 HydrophobicContact SD-CG1 3.93Å
45S95.2Very high95.8Very high49 Ų4959.6 Ų59.634%0.34333%0.328SS..THydrogen-bonded Turntrans-68.6-20.7167.980.70000112.3E41 E42 F43 P47E41-S45 PolarHBondContact O-N 2.75Å; E42-S45 WeakPolarHBondContact O-CB 3.5Å; E42-S45 PolarHBondContact O-N 2.86Å; E42-S45 PolarHBondContact O-OG 2.83Å; F43-S45 PolarHBondContact O-N 3.12Å; S45-P47 VanDerWaalsContact O-CD 3.32Å; S45-P47 WeakPolarHBondContact O-CD 3.45Å
46L94.7Very high95.7Very high63 Ų6360.6 Ų60.633%0.3333%0.326SS..SBendtrans-77.6114.5175.2-62.9176.2000110.5L30 F43 M44 E48 L49 Q50L30-L46 HydrophobicContact CD1-CD1 3.95Å; L30-L46 HydrophobicContact CD1-CD2 3.98Å; L30-L46 HydrophobicContact CD1-CG 3.72Å; L30-L46 HydrophobicContact CD2-CD1 4.21Å; F43-L46 WeakPolarHBondContact O-CB 3.34Å; F43-L46 PolarHBondContact O-N 2.93Å; F43-L46 VanDerWaalsContact O-N 3.15Å; M44-L46 PolarHBondContact O-N 3.34Å; L46-E48 PolarHBondContact O-N 3.1Å; L46-E48 VanDerWaalsContact O-N 3.1Å; L46-L49 HydrophobicContact CB-CB 4.29Å; L46-L49 HydrophobicContact CB-CD1 4.23Å; L46-L49 HydrophobicContact CB-CG 4.04Å; L46-L49 HydrophobicContact CD1-CD1 3.82Å; L46-L49 HydrophobicContact CD1-CG 4.33Å; L46-L49 PolarHBondContact O-N 2.83Å; L46-Q50 PolarHBondContact O-N 2.92Å
47P94.6Very high95.7Very high89 Ų8959.3 Ų59.358%0.57831%0.309SS*.THydrogen-bonded Turntrans-56.1-31.2-178.7-26.336.1000113.8S45 L49S45-P47 VanDerWaalsContact O-CD 3.32Å; S45-P47 WeakPolarHBondContact O-CD 3.45Å; P47-L49 PolarHBondContact O-N 2.79Å
48E92.9Very high95.6Very high154 Ų15460.4 Ų60.472%0.7232%0.315SS*.THydrogen-bonded Turntrans-68.1-22.2178.8-58.281.7-179.400113L46L46-E48 PolarHBondContact O-N 3.1Å; L46-E48 VanDerWaalsContact O-N 3.1Å
49L94.7Very high95.6Very high47 Ų4760.5 Ų60.525%0.24632%0.316CS..THydrogen-bonded Turntrans-98.2-24.9-179.6-61.1-169.9000112.9F43 L46 P47 Q51 N52 V55F43-L49 HydrophobicContact CB-CD1 4.48Å; F43-L49 HydrophobicContact CD1-CD1 4.23Å; L46-L49 HydrophobicContact CB-CB 4.29Å; L46-L49 HydrophobicContact CB-CD1 4.23Å; L46-L49 HydrophobicContact CB-CG 4.04Å; L46-L49 HydrophobicContact CD1-CD1 3.82Å; L46-L49 HydrophobicContact CD1-CG 4.33Å; L46-L49 PolarHBondContact O-N 2.83Å; P47-L49 PolarHBondContact O-N 2.79Å; L49-Q51 PolarHBondContact O-N 3.37Å; L49-N52 PolarHBondContact O-N 2.78Å; L49-V55 HydrophobicContact CB-CG2 3.87Å; L49-V55 HydrophobicContact CD2-CG2 4.31Å; L49-V55 WeakPolarHBondContact O-CG2 3.44Å
50Q93.2Very high95.6Very high93 Ų9361.7 Ų61.744%0.43532%0.321SS..THydrogen-bonded Turntrans-52.1-31.7-172.4-77.8179.6-6.600115.8M44 L46M44-Q50 WeakPolarHBondContact CE-O 3.47Å; M44-Q50 WeakPolarHBondContact O-CG 3.19Å; M44-Q50 PolarHBondContact O-NE2 2.72Å; L46-Q50 PolarHBondContact O-N 2.92Å
51Q92.8Very high95.6Very high172 Ų17260.6 Ų60.680%0.80431%0.313SS*.THydrogen-bonded Turntrans-104.61.6-177.7-59.7-57.3-51.900113.2L49 P53L49-Q51 PolarHBondContact O-N 3.37Å; Q51-P53 WeakPolarHBondContact O-CD 3.45Å
52N95Very high95.6Very high71 Ų7154.4 Ų54.438%0.3828%0.284SS..  trans-86.2113.8-178.2179.6-11000109.9L49 L54 V55L49-N52 PolarHBondContact O-N 2.78Å; N52-L54 PolarHBondContact O-N 2.99Å; N52-L54 VanDerWaalsContact O-N 3.11Å; N52-L54 PolarHBondContact OD1-N 3.26Å; N52-V55 HydrophobicContact CB-CG2 3.71Å; N52-V55 WeakPolarHBondContact O-CG2 3.44Å; N52-V55 PolarHBondContact O-N 3.08Å
53P95.8Very high95.6Very high62 Ų6254.6 Ų54.640%0.40329%0.285SS..THydrogen-bonded Turntrans-69.8-9.3-174.929.9-36.3000113.9Q51 M118Q51-P53 WeakPolarHBondContact O-CD 3.45Å; P53-M118 HydrophobicContact CB-CB 4.27Å; P53-M118 WeakPolarHBondContact CB-O 2.99Å
54L96.3Very high95.6Very high38 Ų3858 Ų5820%0.19931%0.307CS..THydrogen-bonded Turntrans-101.12.7-178.4-59.8179.8000113.4N52 Q56 R57 V58 I98 V115 M119N52-L54 PolarHBondContact O-N 2.99Å; N52-L54 VanDerWaalsContact O-N 3.11Å; N52-L54 PolarHBondContact OD1-N 3.26Å; L54-Q56 VanDerWaalsContact C-N 3.34Å; L54-Q56 PolarHBondContact O-N 3.32Å; L54-R57 WeakPolarHBondContact O-CB 3.43Å; L54-R57 PolarHBondContact O-N 2.81Å; L54-V58 PolarHBondContact O-N 3.32Å; L54-I98 HydrophobicContact CD1-CG2 4.41Å; L54-I98 HydrophobicContact CD2-CG2 4.25Å; L54-V115 HydrophobicContact CD2-CG1 3.88Å; L54-M119 HydrophobicContact CD1-CG 4.3Å; L54-M119 HydrophobicContact CD1-SD 4.07Å; L54-M119 HydrophobicContact CD2-CG 3.99Å; L54-M119 HydrophobicContact CG-CG 4.24Å
55V96.3Very high95.6Very high10 Ų1059.7 Ų59.76%0.06132%0.318CS..Hα-helixtrans-57.3-47.2-177.7170.80000111.5F43 M44 L49 N52 R57 V58 I59F43-V55 HydrophobicContact CB-CG1 4.49Å; M44-V55 HydrophobicContact SD-CB 4.31Å; M44-V55 HydrophobicContact SD-CG1 3.93Å; L49-V55 HydrophobicContact CB-CG2 3.87Å; L49-V55 HydrophobicContact CD2-CG2 4.31Å; L49-V55 WeakPolarHBondContact O-CG2 3.44Å; N52-V55 HydrophobicContact CB-CG2 3.71Å; N52-V55 WeakPolarHBondContact O-CG2 3.44Å; N52-V55 PolarHBondContact O-N 3.08Å; V55-R57 VanDerWaalsContact C-N 3.26Å; V55-R57 PolarHBondContact O-N 3.27Å; V55-V58 WeakPolarHBondContact O-CB 3.4Å; V55-V58 PolarHBondContact O-N 2.86Å; V55-V58 VanDerWaalsContact O-N 3.07Å; V55-I59 HydrophobicContact CG1-CD1 3.71Å; V55-I59 HydrophobicContact CG1-CG1 4.33Å; V55-I59 WeakPolarHBondContact O-CG1 3.45Å; V55-I59 PolarHBondContact O-N 2.9Å
56Q95.8Very high95.6Very high82 Ų8260 Ų6038%0.38333%0.328SS..Hα-helixtrans-57.3-42.3176.9-170.96252.400111.6L54 V58 I59 D60L54-Q56 VanDerWaalsContact C-N 3.34Å; L54-Q56 PolarHBondContact O-N 3.32Å; Q56-V58 VanDerWaalsContact C-N 3.31Å; Q56-V58 PolarHBondContact O-N 2.79Å; Q56-I59 WeakPolarHBondContact O-CB 3.25Å; Q56-I59 PolarHBondContact O-N 3.36Å; Q56-I59 VanDerWaalsContact O-N 3.16Å; Q56-D60 PolarHBondContact NE2-OD1 3.07Å; Q56-D60 PolarHBondContact O-N 2.82Å
57R96.9Very high95.7Very high11 Ų1161 Ų614%0.04233%0.334CS..Hα-helixtrans-63.7-36.8178.1-61.7-54.5-55.1145.95.1112.4L54 V55 D60 I61 R97 I98 D100 M101 M118L54-R57 WeakPolarHBondContact O-CB 3.43Å; L54-R57 PolarHBondContact O-N 2.81Å; V55-R57 VanDerWaalsContact C-N 3.26Å; V55-R57 PolarHBondContact O-N 3.27Å; R57-D60 IonicContact CZ-OD2 3.71Å; R57-D60 IonicContact NH1-OD2 2.75Å; R57-D60 PolarHBondContact NH1-OD2 2.96Å; R57-I61 VanDerWaalsContact O-CD1 3.31Å; R57-I61 WeakPolarHBondContact O-CD1 3.41Å; R57-I61 WeakPolarHBondContact O-CG1 3.28Å; R57-I61 PolarHBondContact O-N 2.92Å; R57-R97 PolarHBondContact NH2-O 2.99Å; R57-I98 HydrophobicContact CB-CD1 3.95Å; R57-I98 HydrophobicContact CB-CG2 4.28Å; R57-I98 PolarHBondContact NE-O 3.24Å; R57-I98 PolarHBondContact NH2-O 2.71Å; R57-D100 PolarHBondContact NH2-O 3.42Å; R57-M101 VanDerWaalsContact NH2-CA 3.32Å; R57-M118 HydrophobicContact CG-SD 4.01Å
58V96.7Very high95.7Very high43 Ų4358.8 Ų58.826%0.26133%0.327SS..Hα-helixtrans-66.6-42.8174.4174.10000110.6L54 V55 Q56 I61 F62 F94 I98L54-V58 PolarHBondContact O-N 3.32Å; V55-V58 WeakPolarHBondContact O-CB 3.4Å; V55-V58 PolarHBondContact O-N 2.86Å; V55-V58 VanDerWaalsContact O-N 3.07Å; Q56-V58 VanDerWaalsContact C-N 3.31Å; Q56-V58 PolarHBondContact O-N 2.79Å; V58-I61 PolarHBondContact O-N 3.04Å; V58-F62 HydrophobicContact CG1-CD1 4.25Å; V58-F62 HydrophobicContact CG1-CE1 3.96Å; V58-F62 HydrophobicContact CG1-CZ 4.12Å; V58-F62 WeakPolarHBondContact O-CD1 3.49Å; V58-F62 PolarHBondContact O-N 3.45Å; V58-F62 VanDerWaalsContact O-N 3.07Å; V58-F94 HydrophobicContact CB-CZ 4.41Å; V58-F94 HydrophobicContact CG1-CZ 4.09Å; V58-F94 HydrophobicContact CG2-CE1 4.44Å; V58-F94 HydrophobicContact CG2-CZ 4.1Å; V58-I98 HydrophobicContact CG2-CD1 3.92Å
59I97.1Very high95.9Very high3 Ų354.9 Ų54.92%0.01531%0.309CS..Hα-helixtrans-61.4-48.8177.2-66.4169.7000110.3V40 F43 V55 Q56 I61 F62 D63 V70V40-I59 HydrophobicContact CB-CD1 4.37Å; V40-I59 HydrophobicContact CG1-CD1 4.29Å; V40-I59 HydrophobicContact CG2-CD1 4.1Å; V40-I59 HydrophobicContact CG2-CG2 4.36Å; F43-I59 HydrophobicContact CB-CD1 3.81Å; F43-I59 HydrophobicContact CD2-CD1 3.55Å; F43-I59 HydrophobicContact CD2-CG1 3.76Å; F43-I59 HydrophobicContact CE2-CD1 4.29Å; F43-I59 HydrophobicContact CE2-CG1 4.02Å; F43-I59 HydrophobicContact CG-CD1 3.79Å; F43-I59 HydrophobicContact CG-CG1 4.11Å; V55-I59 HydrophobicContact CG1-CD1 3.71Å; V55-I59 HydrophobicContact CG1-CG1 4.33Å; V55-I59 WeakPolarHBondContact O-CG1 3.45Å; V55-I59 PolarHBondContact O-N 2.9Å; Q56-I59 WeakPolarHBondContact O-CB 3.25Å; Q56-I59 PolarHBondContact O-N 3.36Å; Q56-I59 VanDerWaalsContact O-N 3.16Å; I59-I61 PolarHBondContact O-N 3.48Å; I59-I61 VanDerWaalsContact O-N 3.08Å; I59-F62 CarbonylContact O-C 3.58Å; I59-F62 WeakPolarHBondContact O-CA 3.05Å; I59-F62 PolarHBondContact O-N 3.21Å; I59-D63 WeakPolarHBondContact O-CB 3.42Å; I59-D63 PolarHBondContact O-N 3.08Å; I59-V70 HydrophobicContact CG2-CG2 3.95Å
60D97Very high96.1Very high44 Ų4452.7 Ų52.724%0.23530%0.298CS..Hα-helixtrans-59.8-23.3179.1-58.3-19.4000113.6Q56 R57 K103Q56-D60 PolarHBondContact NE2-OD1 3.07Å; Q56-D60 PolarHBondContact O-N 2.82Å; R57-D60 IonicContact CZ-OD2 3.71Å; R57-D60 IonicContact NH1-OD2 2.75Å; R57-D60 PolarHBondContact NH1-OD2 2.96Å; D60-K103 PolarHBondContact O-NZ 2.9Å
61I97Very high96.3Very high11 Ų1150.5 Ų50.56%0.05629%0.289CS..Hα-helixtrans-84.9-33.7175.1-65.4165.5000111.3R57 V58 I59 F94 R97 I98R57-I61 VanDerWaalsContact O-CD1 3.31Å; R57-I61 WeakPolarHBondContact O-CD1 3.41Å; R57-I61 WeakPolarHBondContact O-CG1 3.28Å; R57-I61 PolarHBondContact O-N 2.92Å; V58-I61 PolarHBondContact O-N 3.04Å; I59-I61 PolarHBondContact O-N 3.48Å; I59-I61 VanDerWaalsContact O-N 3.08Å; I61-F94 HydrophobicContact CB-CE2 4.08Å; I61-F94 HydrophobicContact CD1-CE1 4.37Å; I61-F94 HydrophobicContact CD1-CE2 4.03Å; I61-F94 HydrophobicContact CD1-CZ 3.93Å; I61-F94 HydrophobicContact CG2-CD2 3.8Å; I61-F94 HydrophobicContact CG2-CE2 3.5Å; I61-F94 HydrophobicContact CG2-CZ 4.4Å; I61-R97 HydrophobicContact CD1-CB 3.8Å; I61-R97 HydrophobicContact CG1-CB 3.96Å; I61-I98 HydrophobicContact CD1-CD1 3.5Å; I61-I98 VanDerWaalsContact CD1-CD1 3.5Å; I61-I98 HydrophobicContact CD1-CG1 3.87Å
62F96.8Very high96.5Very high13 Ų1343.5 Ų43.56%0.05726%0.256CS..Hα-helixtrans-74.7-40.8177.4-79.224.4000110.5V58 I59 T64 V70 E74 V79 F82 F94V58-F62 HydrophobicContact CG1-CD1 4.25Å; V58-F62 HydrophobicContact CG1-CE1 3.96Å; V58-F62 HydrophobicContact CG1-CZ 4.12Å; V58-F62 WeakPolarHBondContact O-CD1 3.49Å; V58-F62 PolarHBondContact O-N 3.45Å; V58-F62 VanDerWaalsContact O-N 3.07Å; I59-F62 CarbonylContact O-C 3.58Å; I59-F62 WeakPolarHBondContact O-CA 3.05Å; I59-F62 PolarHBondContact O-N 3.21Å; F62-T64 WeakPolarHBondContact O-CG2 3.49Å; F62-T64 PolarHBondContact O-N 3.27Å; F62-V70 HydrophobicContact CB-CG1 3.95Å; F62-V70 HydrophobicContact CB-CG2 3.75Å; F62-V70 HydrophobicContact CD2-CG1 4.31Å; F62-E74 VanDerWaalsContact O-CB 3.28Å; F62-E74 WeakPolarHBondContact O-CB 3.45Å; F62-V79 HydrophobicContact CE2-CG2 4.05Å; F62-V79 HydrophobicContact CZ-CG2 4.39Å; F62-F82 AromaticContact CE1-CE2 3.98Å; F62-F82 HydrophobicContact CE1-CE2 3.98Å; F62-F82 AromaticContact CZ-CE2 3.94Å; F62-F82 HydrophobicContact CZ-CE2 3.94Å; F62-F94 HydrophobicContact CD1-CE2 4.16Å; F62-F94 AromaticContact CE1-CE2 3.69Å; F62-F94 HydrophobicContact CE1-CE2 3.69Å; F62-F94 HydrophobicContact CE1-CZ 4.23Å
63D97.3Very high96.6Very high11 Ų1145.6 Ų45.66%0.05926%0.262CS..  trans-67.988.8171.9178.311.4000109.8I59 G66 N67 G68 V70 K103I59-D63 WeakPolarHBondContact O-CB 3.42Å; I59-D63 PolarHBondContact O-N 3.08Å; D63-G66 WeakPolarHBondContact OD1-CA 3.37Å; D63-G66 PolarHBondContact OD1-N 3.19Å; D63-G66 WeakPolarHBondContact OD2-CA 3.48Å; D63-N67 PolarHBondContact OD1-N 3.37Å; D63-N67 VanDerWaalsContact OD1-N 3.1Å; D63-N67 PolarHBondContact OD2-N 2.61Å; D63-G68 WeakPolarHBondContact OD2-CA 3.2Å; D63-G68 PolarHBondContact OD2-N 3.12Å; D63-V70 HydrophobicContact CB-CG2 4.34Å; D63-K103 PolarHBondContact O-NZ 3.31Å
64T95.6Very high96.7Very high86 Ų8642.8 Ų42.853%0.52824%0.243SC..SBendtrans-82.2-27.4-175.657.80000112.4F62 E74F62-T64 WeakPolarHBondContact O-CG2 3.49Å; F62-T64 PolarHBondContact O-N 3.27Å; T64-E74 WeakPolarHBondContact CA-OE1 3.36Å; T64-E74 PolarHBondContact N-OE1 3.2Å; T64-E74 WeakPolarHBondContact OG1-CG 3.42Å; T64-E74 PolarHBondContact OG1-OE1 2.96Å
65D96Very high96.7Very high102 Ų10242 Ų4255%0.54524%0.238SC..SBendtrans-89.3-14.2177799000113.5N67 E74D65-N67 VanDerWaalsContact CG-ND2 3.3Å; D65-N67 WeakPolarHBondContact OD1-CB 3.35Å; D65-N67 PolarHBondContact OD1-N 3.07Å; D65-N67 PolarHBondContact OD1-ND2 3.36Å; D65-N67 PolarHBondContact OD2-ND2 3.38Å; D65-E74 PolarHBondContact N-OE1 2.83Å
66G95.2Very high96.6Very high54 Ų5441.5 Ų41.556%0.55724%0.235SC*.  trans7824.1175.400000113.7D63 G68D63-G66 WeakPolarHBondContact OD1-CA 3.37Å; D63-G66 PolarHBondContact OD1-N 3.19Å; D63-G66 WeakPolarHBondContact OD2-CA 3.48Å; G66-G68 VanDerWaalsContact C-N 3.29Å
67N96.3Very high96.5Very high84 Ų8440.1 Ų40.145%0.44923%0.229SC..SBendtrans-80.3-8.7-177.974.435.9000113.7D63 D65 E69D63-N67 PolarHBondContact OD1-N 3.37Å; D63-N67 VanDerWaalsContact OD1-N 3.1Å; D63-N67 PolarHBondContact OD2-N 2.61Å; D65-N67 VanDerWaalsContact CG-ND2 3.3Å; D65-N67 WeakPolarHBondContact OD1-CB 3.35Å; D65-N67 PolarHBondContact OD1-N 3.07Å; D65-N67 PolarHBondContact OD1-ND2 3.36Å; D65-N67 PolarHBondContact OD2-ND2 3.38Å; N67-E69 WeakPolarHBondContact OD1-CA 3.45Å; N67-E69 WeakPolarHBondContact OD1-CB 3.32Å; N67-E69 PolarHBondContact OD1-N 2.9Å; N67-E69 PolarHBondContact OD1-O 2.76Å; N67-E69 VanDerWaalsContact OD1-O 3.12Å
68G95.5Very high96.3Very high43 Ų4339.6 Ų39.644%0.44323%0.227SC..SBendtrans94.9-2.3178.800000114.8D63 G66D63-G68 WeakPolarHBondContact OD2-CA 3.2Å; D63-G68 PolarHBondContact OD2-N 3.12Å; G66-G68 VanDerWaalsContact C-N 3.29Å
69E97.6Very high96.2Very high73 Ų7338.6 Ų38.634%0.34122%0.221SC..SBendtrans-129.6161177.7-56.5-178.215800109.8S37 L38 N67S37-E69 VanDerWaalsContact CB-OE2 3.23Å; S37-E69 WeakPolarHBondContact CB-OE2 3.35Å; L38-E69 WeakPolarHBondContact O-CA 3.5Å; N67-E69 WeakPolarHBondContact OD1-CA 3.45Å; N67-E69 WeakPolarHBondContact OD1-CB 3.32Å; N67-E69 PolarHBondContact OD1-N 2.9Å; N67-E69 PolarHBondContact OD1-O 2.76Å; N67-E69 VanDerWaalsContact OD1-O 3.12Å
70V98.2Very high96Very high0 Ų038.5 Ų38.50%022%0.221CC..EExtended strand (participates in β ladder)trans-109.1108.8177.9177.10000109.4S37 L38 F43 I59 F62 D63 E74 F75S37-V70 CarbonylContact C-O 3.58Å; L38-V70 HydrophobicContact CB-CB 4.37Å; L38-V70 PolarHBondContact N-O 2.96Å; L38-V70 PolarHBondContact O-N 2.76Å; F43-V70 HydrophobicContact CE2-CB 3.98Å; F43-V70 HydrophobicContact CE2-CG2 3.9Å; F43-V70 HydrophobicContact CZ-CB 4.18Å; F43-V70 HydrophobicContact CZ-CG1 4.42Å; F43-V70 HydrophobicContact CZ-CG2 4.25Å; I59-V70 HydrophobicContact CG2-CG2 3.95Å; F62-V70 HydrophobicContact CB-CG1 3.95Å; F62-V70 HydrophobicContact CB-CG2 3.75Å; F62-V70 HydrophobicContact CD2-CG1 4.31Å; D63-V70 HydrophobicContact CB-CG2 4.34Å; V70-E74 HydrophobicContact CG1-CB 3.85Å; V70-F75 HydrophobicContact CG1-CB 3.93Å
71D98Very high95.7Very high47 Ų4737.3 Ų37.325%0.25121%0.214SC..EExtended strand (participates in β ladder)trans-72.5172.2176.482.223.1000112K73 E74 F75D71-K73 PolarHBondContact O-N 3.21Å; D71-K73 VanDerWaalsContact OD1-CA 3.24Å; D71-K73 WeakPolarHBondContact OD1-CA 3.1Å; D71-K73 VanDerWaalsContact OD1-CB 3.22Å; D71-K73 WeakPolarHBondContact OD1-CB 3.2Å; D71-K73 PolarHBondContact OD1-N 2.97Å; D71-E74 PolarHBondContact N-OE2 3.17Å; D71-E74 PolarHBondContact O-N 2.85Å; D71-E74 WeakPolarHBondContact OD1-CG 3.22Å; D71-E74 PolarHBondContact OD1-N 3.23Å; D71-F75 VanDerWaalsContact O-CB 3.31Å; D71-F75 WeakPolarHBondContact O-CB 3.48Å; D71-F75 PolarHBondContact O-N 3.03Å
72F97.1Very high95.4Very high25 Ų2538.5 Ų38.511%0.1122%0.218CC..Hα-helixtrans-62.2-32.9-179.9-175.8-111.8000113.1Y7 M11 I20 G24 F27 F75 I76Y7-F72 AromaticContact CD1-CD1 3.42Å; Y7-F72 HydrophobicContact CD1-CD1 3.42Å; Y7-F72 VanDerWaalsContact CD1-CD1 3.42Å; Y7-F72 AromaticContact CD1-CE1 3.15Å; Y7-F72 HydrophobicContact CD1-CE1 3.15Å; Y7-F72 HydrophobicContact CD1-CZ 4.11Å; Y7-F72 AromaticContact CE1-CD1 3.43Å; Y7-F72 HydrophobicContact CE1-CD1 3.43Å; Y7-F72 VanDerWaalsContact CE1-CD1 3.43Å; Y7-F72 AromaticContact CE1-CE1 3.35Å; Y7-F72 HydrophobicContact CE1-CE1 3.35Å; Y7-F72 HydrophobicContact CE1-CG 4.14Å; Y7-F72 HydrophobicContact CE1-CZ 4.02Å; Y7-F72 HydrophobicContact CG-CD1 4.5Å; Y7-F72 AromaticContact CG-CE1 3.85Å; Y7-F72 HydrophobicContact CG-CE1 3.85Å; M11-F72 HydrophobicContact SD-CE1 4.46Å; I20-F72 HydrophobicContact CG2-CE1 4.35Å; I20-F72 HydrophobicContact CG2-CZ 4.21Å; G24-F72 VanDerWaalsContact CA-CE2 3.43Å; F27-F72 HydrophobicContact CB-CD2 3.8Å; F27-F72 HydrophobicContact CB-CE2 4Å; F27-F72 HydrophobicContact CD1-CB 4.46Å; F27-F72 HydrophobicContact CD1-CD2 4.02Å; F27-F72 HydrophobicContact CD2-CB 4.43Å; F27-F72 AromaticContact CD2-CD2 3.74Å; F27-F72 HydrophobicContact CD2-CD2 3.74Å; F27-F72 HydrophobicContact CE1-CB 4.21Å; F27-F72 HydrophobicContact CE2-CB 4.14Å; F27-F72 HydrophobicContact CE2-CD2 4.29Å; F27-F72 AromaticContact CG-CD2 3.57Å; F27-F72 HydrophobicContact CG-CD2 3.57Å; F27-F72 HydrophobicContact CG-CE2 4.29Å; F27-F72 HydrophobicContact CZ-CB 4.03Å; F72-F75 HydrophobicContact CE2-CD1 4.48Å; F72-I76 HydrophobicContact CD1-CG1 4.37Å; F72-I76 HydrophobicContact CD2-CG1 4.33Å; F72-I76 HydrophobicContact CE1-CD1 4.38Å; F72-I76 HydrophobicContact CE1-CG1 3.89Å; F72-I76 HydrophobicContact CE2-CD1 3.83Å; F72-I76 HydrophobicContact CE2-CG1 3.84Å; F72-I76 HydrophobicContact CZ-CD1 3.66Å; F72-I76 HydrophobicContact CZ-CG1 3.63Å; F72-I76 VanDerWaalsContact O-CG1 3.26Å; F72-I76 WeakPolarHBondContact O-CG1 3.15Å; F72-I76 PolarHBondContact O-N 3.14Å; F72-I76 VanDerWaalsContact O-N 3.16Å
73K96.1Very high95.1Very high116 Ų11638.1 Ų38.150%0.50422%0.217SC..Hα-helixtrans-67.1-50.1179179.5-170.1167.4-162.80110.6M11 D71 F75 I76 E77M11-K73 VanDerWaalsContact CE-CA 3.44Å; M11-K73 HydrophobicContact CE-CB 4.07Å; M11-K73 HydrophobicContact CE-CG 3.98Å; D71-K73 PolarHBondContact O-N 3.21Å; D71-K73 VanDerWaalsContact OD1-CA 3.24Å; D71-K73 WeakPolarHBondContact OD1-CA 3.1Å; D71-K73 VanDerWaalsContact OD1-CB 3.22Å; D71-K73 WeakPolarHBondContact OD1-CB 3.2Å; D71-K73 PolarHBondContact OD1-N 2.97Å; K73-F75 VanDerWaalsContact C-N 3.34Å; K73-F75 PolarHBondContact O-N 2.73Å; K73-I76 PolarHBondContact O-N 2.95Å; K73-E77 WeakPolarHBondContact CE-OE1 3.42Å; K73-E77 IonicContact NZ-OE1 3.89Å; K73-E77 WeakPolarHBondContact O-CG 3.49Å; K73-E77 PolarHBondContact O-N 3.1Å
74E96.9Very high94.6Very high2 Ų242.2 Ų42.21%0.00924%0.243CC..Hα-helixtrans-59.8-42.1176.4-72.7-17914100112.3F62 T64 D65 V70 D71 I76 E77 G78F62-E74 VanDerWaalsContact O-CB 3.28Å; F62-E74 WeakPolarHBondContact O-CB 3.45Å; T64-E74 WeakPolarHBondContact CA-OE1 3.36Å; T64-E74 PolarHBondContact N-OE1 3.2Å; T64-E74 WeakPolarHBondContact OG1-CG 3.42Å; T64-E74 PolarHBondContact OG1-OE1 2.96Å; D65-E74 PolarHBondContact N-OE1 2.83Å; V70-E74 HydrophobicContact CG1-CB 3.85Å; D71-E74 PolarHBondContact N-OE2 3.17Å; D71-E74 PolarHBondContact O-N 2.85Å; D71-E74 WeakPolarHBondContact OD1-CG 3.22Å; D71-E74 PolarHBondContact OD1-N 3.23Å; E74-I76 PolarHBondContact O-N 3.43Å; E74-E77 PolarHBondContact O-N 3.27Å; E74-G78 PolarHBondContact O-N 3.15Å
75F96.3Very high94Very high22 Ų2243.9 Ų43.910%0.09624%0.243CC..Hα-helixtrans-58.3-47174.6178.5-101.4000111.9L23 F27 L38 V70 D71 F72 K73 V79L23-F75 HydrophobicContact CB-CE1 4.22Å; L23-F75 HydrophobicContact CD2-CE1 4.09Å; F27-F75 HydrophobicContact CB-CD1 4.41Å; F27-F75 HydrophobicContact CB-CE1 4.43Å; F27-F75 HydrophobicContact CD2-CB 3.79Å; F27-F75 AromaticContact CD2-CD1 3.88Å; F27-F75 HydrophobicContact CD2-CD1 3.88Å; F27-F75 HydrophobicContact CD2-CD2 4.25Å; F27-F75 AromaticContact CD2-CG 3.71Å; F27-F75 HydrophobicContact CD2-CG 3.71Å; F27-F75 HydrophobicContact CE2-CB 3.89Å; F27-F75 HydrophobicContact CE2-CG 4.27Å; L38-F75 HydrophobicContact CD1-CD2 3.96Å; L38-F75 HydrophobicContact CD1-CE2 4.36Å; V70-F75 HydrophobicContact CG1-CB 3.93Å; D71-F75 VanDerWaalsContact O-CB 3.31Å; D71-F75 WeakPolarHBondContact O-CB 3.48Å; D71-F75 PolarHBondContact O-N 3.03Å; F72-F75 HydrophobicContact CE2-CD1 4.48Å; K73-F75 VanDerWaalsContact C-N 3.34Å; K73-F75 PolarHBondContact O-N 2.73Å; F75-V79 HydrophobicContact CD1-CG2 4.46Å; F75-V79 HydrophobicContact CD2-CG2 4.23Å; F75-V79 HydrophobicContact CE1-CG2 4.16Å; F75-V79 HydrophobicContact CE2-CG2 3.9Å; F75-V79 HydrophobicContact CG-CG2 4.49Å; F75-V79 HydrophobicContact CZ-CG2 3.87Å; F75-V79 WeakPolarHBondContact O-CB 3.31Å; F75-V79 WeakPolarHBondContact O-CG2 3.19Å; F75-V79 PolarHBondContact O-N 3.49Å
76I95.2Very high93.3Very high0 Ų039.5 Ų39.50%022%0.221CC..Hα-helixtrans-68-43.9178.9-66-65000111.1M11 F15 L23 F72 K73 E74 G78 S80M11-I76 HydrophobicContact CE-CB 3.29Å; M11-I76 HydrophobicContact CE-CG1 3.61Å; M11-I76 HydrophobicContact CE-CG2 3.48Å; M11-I76 VanDerWaalsContact CE-CG2 3.48Å; M11-I76 HydrophobicContact SD-CB 4.44Å; M11-I76 HydrophobicContact SD-CG1 4.37Å; M11-I76 HydrophobicContact SD-CG2 4.25Å; F15-I76 HydrophobicContact CD2-CG2 4.31Å; L23-I76 HydrophobicContact CB-CD1 3.49Å; L23-I76 VanDerWaalsContact CB-CD1 3.49Å; L23-I76 HydrophobicContact CD1-CD1 3.48Å; L23-I76 VanDerWaalsContact CD1-CD1 3.48Å; L23-I76 HydrophobicContact CG-CD1 4.1Å; F72-I76 HydrophobicContact CD1-CG1 4.37Å; F72-I76 HydrophobicContact CD2-CG1 4.33Å; F72-I76 HydrophobicContact CE1-CD1 4.38Å; F72-I76 HydrophobicContact CE1-CG1 3.89Å; F72-I76 HydrophobicContact CE2-CD1 3.83Å; F72-I76 HydrophobicContact CE2-CG1 3.84Å; F72-I76 HydrophobicContact CZ-CD1 3.66Å; F72-I76 HydrophobicContact CZ-CG1 3.63Å; F72-I76 VanDerWaalsContact O-CG1 3.26Å; F72-I76 WeakPolarHBondContact O-CG1 3.15Å; F72-I76 PolarHBondContact O-N 3.14Å; F72-I76 VanDerWaalsContact O-N 3.16Å; K73-I76 PolarHBondContact O-N 2.95Å; E74-I76 PolarHBondContact O-N 3.43Å; I76-G78 VanDerWaalsContact C-N 3.33Å; I76-G78 PolarHBondContact O-N 3.05Å; I76-S80 WeakPolarHBondContact O-CB 3.48Å; I76-S80 PolarHBondContact O-N 3.15Å
77E93.4Very high92.9Very high52 Ų5241.4 Ų41.424%0.24322%0.219CC..Hα-helixtrans-61.4-42.2176.9-73.6-178.4-178.600111.3K73 E74 S80 Q81K73-E77 WeakPolarHBondContact CE-OE1 3.42Å; K73-E77 IonicContact NZ-OE1 3.89Å; K73-E77 WeakPolarHBondContact O-CG 3.49Å; K73-E77 PolarHBondContact O-N 3.1Å; E74-E77 PolarHBondContact O-N 3.27Å; E77-S80 WeakPolarHBondContact O-CB 3.23Å; E77-Q81 WeakPolarHBondContact O-CG 3.33Å
78G93.7Very high92.7Very high1 Ų141.8 Ų41.81%0.0122%0.217CC..Hα-helixtrans-61-56.3174.200000112.8E74 I76 S80 Q81 F82E74-G78 PolarHBondContact O-N 3.15Å; I76-G78 VanDerWaalsContact C-N 3.33Å; I76-G78 PolarHBondContact O-N 3.05Å; G78-S80 VanDerWaalsContact C-N 3.26Å; G78-S80 PolarHBondContact O-N 2.88Å; G78-Q81 WeakPolarHBondContact O-CB 3.45Å; G78-Q81 PolarHBondContact O-N 3.09Å; G78-Q81 VanDerWaalsContact O-N 3.15Å; G78-F82 WeakPolarHBondContact O-CD2 3.34Å
79V93.4Very high92.6Very high21 Ų2144.3 Ų44.313%0.12722%0.217CC..Hα-helixtrans-63.9-33-179.4176.50000111.5F15 L23 F62 F75 Q81 F82 V170F15-V79 HydrophobicContact CE2-CB 4.25Å; F15-V79 HydrophobicContact CE2-CG1 3.91Å; F15-V79 HydrophobicContact CZ-CG1 3.84Å; L23-V79 HydrophobicContact CD1-CG1 4.44Å; L23-V79 HydrophobicContact CD2-CG1 4.1Å; F62-V79 HydrophobicContact CE2-CG2 4.05Å; F62-V79 HydrophobicContact CZ-CG2 4.39Å; F75-V79 HydrophobicContact CD1-CG2 4.46Å; F75-V79 HydrophobicContact CD2-CG2 4.23Å; F75-V79 HydrophobicContact CE1-CG2 4.16Å; F75-V79 HydrophobicContact CE2-CG2 3.9Å; F75-V79 HydrophobicContact CG-CG2 4.49Å; F75-V79 HydrophobicContact CZ-CG2 3.87Å; F75-V79 WeakPolarHBondContact O-CB 3.31Å; F75-V79 WeakPolarHBondContact O-CG2 3.19Å; F75-V79 PolarHBondContact O-N 3.49Å; V79-Q81 PolarHBondContact O-N 3.46Å; V79-F82 PolarHBondContact O-N 3.46Å; V79-V170 HydrophobicContact CG1-CG2 4.29Å
80S92.6Very high92.3Very high2 Ų243.1 Ų43.11%0.01421%0.211CC..Hα-helixtrans-57.6-31.3176.6177.20000112.4S13 H14 F15 I76 E77 G78 F82 S83S13-S80 WeakPolarHBondContact CA-OG 2.95Å; H14-S80 PolarHBondContact CD2-O 3.49Å; H14-S80 PolarHBondContact CD2-OG 2.8Å; H14-S80 VanDerWaalsContact CD2-OG 3.32Å; H14-S80 PolarHBondContact N-OG 2.71Å; F15-S80 VanDerWaalsContact CE2-CA 3.44Å; I76-S80 WeakPolarHBondContact O-CB 3.48Å; I76-S80 PolarHBondContact O-N 3.15Å; E77-S80 WeakPolarHBondContact O-CB 3.23Å; G78-S80 VanDerWaalsContact C-N 3.26Å; G78-S80 PolarHBondContact O-N 2.88Å; S80-F82 PolarHBondContact O-N 2.75Å; S80-F82 VanDerWaalsContact O-N 3.17Å; S80-S83 WeakPolarHBondContact O-CB 3.36Å; S80-S83 PolarHBondContact O-N 2.81Å
81Q91.2Very high92.1Very high19 Ų1943.4 Ų43.49%0.08921%0.212CC..THydrogen-bonded Turntrans-62-26.1177.7-56.1-17856.500113.1E77 G78 V79 Q90 K91E77-Q81 WeakPolarHBondContact O-CG 3.33Å; G78-Q81 WeakPolarHBondContact O-CB 3.45Å; G78-Q81 PolarHBondContact O-N 3.09Å; G78-Q81 VanDerWaalsContact O-N 3.15Å; V79-Q81 PolarHBondContact O-N 3.46Å; Q81-Q90 HydrophobicContact CB-CG 4.13Å; Q81-Q90 HydrophobicContact CG-CG 4.19Å; Q81-K91 WeakPolarHBondContact O-CG 3.1Å
82F91.2Very high92Very high35 Ų3541.5 Ų41.515%0.15420%0.203CC..THydrogen-bonded Turntrans-94.30.6177.1-56.2-83.1000113.2F62 G78 V79 S80 F94 M166 V167 V168F62-F82 AromaticContact CE1-CE2 3.98Å; F62-F82 HydrophobicContact CE1-CE2 3.98Å; F62-F82 AromaticContact CZ-CE2 3.94Å; F62-F82 HydrophobicContact CZ-CE2 3.94Å; G78-F82 WeakPolarHBondContact O-CD2 3.34Å; V79-F82 PolarHBondContact O-N 3.46Å; S80-F82 PolarHBondContact O-N 2.75Å; S80-F82 VanDerWaalsContact O-N 3.17Å; F82-F94 HydrophobicContact CE1-CD1 4.04Å; F82-F94 HydrophobicContact CE1-CE1 4.13Å; F82-F94 HydrophobicContact CE1-CG 4.43Å; F82-F94 HydrophobicContact CE2-CD2 4.24Å; F82-F94 HydrophobicContact CE2-CE1 4.4Å; F82-F94 AromaticContact CE2-CE2 3.98Å; F82-F94 HydrophobicContact CE2-CE2 3.98Å; F82-F94 HydrophobicContact CE2-CZ 4.07Å; F82-F94 AromaticContact CZ-CD1 3.65Å; F82-F94 HydrophobicContact CZ-CD1 3.65Å; F82-F94 AromaticContact CZ-CD2 3.98Å; F82-F94 HydrophobicContact CZ-CD2 3.98Å; F82-F94 AromaticContact CZ-CE1 3.44Å; F82-F94 HydrophobicContact CZ-CE1 3.44Å; F82-F94 VanDerWaalsContact CZ-CE1 3.44Å; F82-F94 AromaticContact CZ-CE2 3.78Å; F82-F94 HydrophobicContact CZ-CE2 3.78Å; F82-F94 AromaticContact CZ-CG 3.92Å; F82-F94 HydrophobicContact CZ-CG 3.92Å; F82-F94 AromaticContact CZ-CZ 3.51Å; F82-F94 HydrophobicContact CZ-CZ 3.51Å; F82-M166 WeakPolarHBondContact CA-O 3.46Å; F82-M166 HydrophobicContact CD1-CB 3.97Å; F82-M166 WeakPolarHBondContact CD1-O 3.42Å; F82-M166 HydrophobicContact CE1-CB 4.19Å; F82-M166 HydrophobicContact CE1-CE 3.75Å; F82-V167 CarbonylContact O-C 3.48Å; F82-V167 WeakPolarHBondContact O-CA 3.5Å; F82-V168 HydrophobicContact CB-CB 4.08Å; F82-V168 HydrophobicContact CB-CG2 3.9Å; F82-V168 PolarHBondContact O-N 3.33Å
83S90Very high91.9Very high5 Ų545.1 Ų45.14%0.03522%0.215CC..BIsolated β-bridgetrans-57.8147.1177.9-179.40000111.3H14 S80 K85 G86 K91H14-S83 WeakPolarHBondContact CB-OG 3.22Å; S80-S83 WeakPolarHBondContact O-CB 3.36Å; S80-S83 PolarHBondContact O-N 2.81Å; S83-K85 PolarHBondContact O-N 3.38Å; S83-K85 PolarHBondContact OG-N 3Å; S83-G86 PolarHBondContact O-N 3.3Å; S83-K91 PolarHBondContact O-NZ 2.84Å
84V86.2Confident91.8Very high97 Ų9739.9 Ų39.959%0.58819%0.193SC*.THydrogen-bonded Turntrans-55-31.3170.1-176.80000111.2V167V84-V167 HydrophobicContact CB-CG1 4.27Å; V84-V167 HydrophobicContact CG2-CG1 3.62Å
85K84.7Confident91.8Very high121 Ų12140.5 Ų40.553%0.52620%0.198SC..THydrogen-bonded Turntrans-81.3-13.1178.3-56.3173-161.8153.80113.3H14 E19 S83H14-K85 HydrophobicContact CB-CB 4.02Å; H14-K85 HydrophobicContact CB-CD 4.42Å; H14-K85 VanDerWaalsContact O-CD 3.28Å; H14-K85 WeakPolarHBondContact O-CD 3.39Å; H14-K85 PolarHBondContact O-NZ 3.07Å; E19-K85 IonicContact OE2-NZ 3.27Å; E19-K85 PolarHBondContact OE2-NZ 3.07Å; S83-K85 PolarHBondContact O-N 3.38Å; S83-K85 PolarHBondContact OG-N 3Å
86G80.7Confident91.9Very high10 Ų1039.8 Ų39.810%0.10320%0.195CC..SBendtrans-73142.7177.400000112.2H14 S83 K91H14-G86 WeakPolarHBondContact NE2-CA 3.24Å; S83-G86 PolarHBondContact O-N 3.3Å; G86-K91 VanDerWaalsContact C-NZ 3.28Å; G86-K91 PolarHBondContact O-NZ 3.16Å
87D87.7Confident92Very high95 Ų9543.6 Ų43.651%0.50821%0.209SC..  trans-79177.3-176.66938.1000113.5E89 Q90D87-E89 WeakPolarHBondContact OD1-CA 3.32Å; D87-E89 PolarHBondContact OD1-N 2.94Å; D87-Q90 WeakPolarHBondContact OD1-CB 3.08Å; D87-Q90 PolarHBondContact OD1-N 3.38Å
88K91.3Very high92.2Very high92 Ų9241.8 Ų41.840%0.420%0.201SC..Hα-helixtrans-65-41177.4173.1176.2178.1177.20111.7K91 L92 G158 H163K88-K91 PolarHBondContact O-N 2.89Å; K88-L92 HydrophobicContact CD-CD1 4.47Å; K88-L92 HydrophobicContact CG-CD1 3.93Å; K88-L92 HydrophobicContact CG-CG 4.29Å; K88-L92 WeakPolarHBondContact O-CG 3.39Å; K88-L92 PolarHBondContact O-N 3.42Å; K88-G158 PolarHBondContact NZ-O 3.29Å; K88-H163 HydrophobicContact CG-CB 4.19Å
89E92.6Very high92.4Very high96 Ų9644.3 Ų44.345%0.44921%0.211SC..Hα-helixtrans-67.1-45.3-174.1-172.9-178.3149.400111D87 K91 L92 R93 F150D87-E89 WeakPolarHBondContact OD1-CA 3.32Å; D87-E89 PolarHBondContact OD1-N 2.94Å; E89-K91 VanDerWaalsContact C-N 3.25Å; E89-K91 PolarHBondContact O-N 3.26Å; E89-L92 CarbonylContact O-C 3.55Å; E89-L92 PolarHBondContact O-N 3.27Å; E89-L92 VanDerWaalsContact O-N 3.09Å; E89-R93 HydrophobicContact CG-CG 4.35Å; E89-R93 WeakPolarHBondContact O-CB 3.49Å; E89-R93 WeakPolarHBondContact O-CG 3.33Å; E89-R93 PolarHBondContact O-N 2.93Å; E89-R93 IonicContact OE1-CZ 3.21Å; E89-R93 IonicContact OE1-NE 2.85Å; E89-R93 PolarHBondContact OE1-NE 3.02Å; E89-R93 IonicContact OE1-NH2 2.73Å; E89-R93 PolarHBondContact OE1-NH2 2.78Å; E89-F150 HydrophobicContact CG-CE1 4.15Å; E89-F150 HydrophobicContact CG-CZ 4.03Å
90Q92.2Very high92.7Very high47 Ų4743.7 Ų43.722%0.2221%0.207CC..Hα-helixtrans-54.1-43.1176.6-172.7175.619.100111.6H14 Q81 D87 R93 F94H14-Q90 PolarHBondContact NE2-OE1 2.99Å; H14-Q90 VanDerWaalsContact NE2-OE1 3.08Å; Q81-Q90 HydrophobicContact CB-CG 4.13Å; Q81-Q90 HydrophobicContact CG-CG 4.19Å; D87-Q90 WeakPolarHBondContact OD1-CB 3.08Å; D87-Q90 PolarHBondContact OD1-N 3.38Å; Q90-R93 PolarHBondContact O-N 3.1Å; Q90-F94 PolarHBondContact O-N 3.15Å
91K93.5Very high92.9Very high6 Ų646.1 Ų46.13%0.02622%0.218CC..Hα-helixtrans-70.8-39.1177.9-66.2174174.662.40112.4Q81 S83 G86 K88 E89 F94 A95 H163 M166Q81-K91 WeakPolarHBondContact O-CG 3.1Å; S83-K91 PolarHBondContact O-NZ 2.84Å; G86-K91 VanDerWaalsContact C-NZ 3.28Å; G86-K91 PolarHBondContact O-NZ 3.16Å; K88-K91 PolarHBondContact O-N 2.89Å; E89-K91 VanDerWaalsContact C-N 3.25Å; E89-K91 PolarHBondContact O-N 3.26Å; K91-F94 PolarHBondContact O-N 3.26Å; K91-A95 PolarHBondContact O-N 3.41Å; K91-H163 HydrophobicContact CB-CB 3.94Å; K91-H163 HydrophobicContact CD-CB 4.02Å; K91-H163 VanDerWaalsContact CD-O 3.25Å; K91-H163 WeakPolarHBondContact CD-O 3.16Å; K91-M166 HydrophobicContact CB-CB 4.45Å; K91-M166 HydrophobicContact CB-SD 4.39Å; K91-M166 HydrophobicContact CD-CB 4.25Å; K91-M166 WeakPolarHBondContact CE-O 3.25Å; K91-M166 HydrophobicContact CG-CB 4.38Å; K91-M166 WeakPolarHBondContact O-CE 3.48Å
92L95.2Very high93.2Very high8 Ų850.2 Ų50.24%0.04224%0.241CC..Hα-helixtrans-65-39.8173.4-69.4178.9000111.6K88 E89 F94 A95 F96 F150 V157 I162K88-L92 HydrophobicContact CD-CD1 4.47Å; K88-L92 HydrophobicContact CG-CD1 3.93Å; K88-L92 HydrophobicContact CG-CG 4.29Å; K88-L92 WeakPolarHBondContact O-CG 3.39Å; K88-L92 PolarHBondContact O-N 3.42Å; E89-L92 CarbonylContact O-C 3.55Å; E89-L92 PolarHBondContact O-N 3.27Å; E89-L92 VanDerWaalsContact O-N 3.09Å; L92-F94 VanDerWaalsContact C-N 3.33Å; L92-A95 PolarHBondContact O-N 2.97Å; L92-F96 WeakPolarHBondContact O-CB 3.39Å; L92-F96 PolarHBondContact O-N 3.03Å; L92-F150 HydrophobicContact CB-CE2 4.17Å; L92-F150 HydrophobicContact CB-CZ 4.21Å; L92-V157 HydrophobicContact CD2-CG2 3.97Å; L92-I162 HydrophobicContact CD2-CD1 3.64Å; L92-I162 HydrophobicContact CD2-CG1 3.67Å
93R95.5Very high93.4Very high100 Ų10054.5 Ų54.538%0.37726%0.259SS..Hα-helixtrans-64.7-36.8174.3-73.3-174.9-179.3-72.5-2.6112.2E89 Q90 R97 F150E89-R93 HydrophobicContact CG-CG 4.35Å; E89-R93 WeakPolarHBondContact O-CB 3.49Å; E89-R93 WeakPolarHBondContact O-CG 3.33Å; E89-R93 PolarHBondContact O-N 2.93Å; E89-R93 IonicContact OE1-CZ 3.21Å; E89-R93 IonicContact OE1-NE 2.85Å; E89-R93 PolarHBondContact OE1-NE 3.02Å; E89-R93 IonicContact OE1-NH2 2.73Å; E89-R93 PolarHBondContact OE1-NH2 2.78Å; Q90-R93 PolarHBondContact O-N 3.1Å; R93-R97 WeakPolarHBondContact O-CB 3.41Å; R93-R97 WeakPolarHBondContact O-CG 3.39Å; R93-R97 PolarHBondContact O-N 3.09Å; R93-R97 VanDerWaalsContact O-N 3.08Å; R93-R97 PolarHBondContact O-NE 2.85Å; R93-R97 VanDerWaalsContact O-NE 3.14Å; R93-F150 HydrophobicContact CB-CE2 4.2Å; R93-F150 HydrophobicContact CB-CZ 4.42Å; R93-F150 HydrophobicContact CG-CD2 4.2Å; R93-F150 HydrophobicContact CG-CE1 4.01Å; R93-F150 HydrophobicContact CG-CE2 3.47Å; R93-F150 VanDerWaalsContact CG-CE2 3.47Å; R93-F150 HydrophobicContact CG-CZ 3.34Å
94F95.4Very high93.8Very high7 Ų757.8 Ų57.83%0.03128%0.277CS..Hα-helixtrans-62.8-50.1171.8-175.4-82.2000110.7V58 I61 F62 F82 Q90 K91 L92 F96 R97 I98 M166V58-F94 HydrophobicContact CB-CZ 4.41Å; V58-F94 HydrophobicContact CG1-CZ 4.09Å; V58-F94 HydrophobicContact CG2-CE1 4.44Å; V58-F94 HydrophobicContact CG2-CZ 4.1Å; I61-F94 HydrophobicContact CB-CE2 4.08Å; I61-F94 HydrophobicContact CD1-CE1 4.37Å; I61-F94 HydrophobicContact CD1-CE2 4.03Å; I61-F94 HydrophobicContact CD1-CZ 3.93Å; I61-F94 HydrophobicContact CG2-CD2 3.8Å; I61-F94 HydrophobicContact CG2-CE2 3.5Å; I61-F94 HydrophobicContact CG2-CZ 4.4Å; F62-F94 HydrophobicContact CD1-CE2 4.16Å; F62-F94 AromaticContact CE1-CE2 3.69Å; F62-F94 HydrophobicContact CE1-CE2 3.69Å; F62-F94 HydrophobicContact CE1-CZ 4.23Å; F82-F94 HydrophobicContact CE1-CD1 4.04Å; F82-F94 HydrophobicContact CE1-CE1 4.13Å; F82-F94 HydrophobicContact CE1-CG 4.43Å; F82-F94 HydrophobicContact CE2-CD2 4.24Å; F82-F94 HydrophobicContact CE2-CE1 4.4Å; F82-F94 AromaticContact CE2-CE2 3.98Å; F82-F94 HydrophobicContact CE2-CE2 3.98Å; F82-F94 HydrophobicContact CE2-CZ 4.07Å; F82-F94 AromaticContact CZ-CD1 3.65Å; F82-F94 HydrophobicContact CZ-CD1 3.65Å; F82-F94 AromaticContact CZ-CD2 3.98Å; F82-F94 HydrophobicContact CZ-CD2 3.98Å; F82-F94 AromaticContact CZ-CE1 3.44Å; F82-F94 HydrophobicContact CZ-CE1 3.44Å; F82-F94 VanDerWaalsContact CZ-CE1 3.44Å; F82-F94 AromaticContact CZ-CE2 3.78Å; F82-F94 HydrophobicContact CZ-CE2 3.78Å; F82-F94 AromaticContact CZ-CG 3.92Å; F82-F94 HydrophobicContact CZ-CG 3.92Å; F82-F94 AromaticContact CZ-CZ 3.51Å; F82-F94 HydrophobicContact CZ-CZ 3.51Å; Q90-F94 PolarHBondContact O-N 3.15Å; K91-F94 PolarHBondContact O-N 3.26Å; L92-F94 VanDerWaalsContact C-N 3.33Å; F94-F96 VanDerWaalsContact C-N 3.26Å; F94-F96 PolarHBondContact O-N 3.35Å; F94-R97 PolarHBondContact O-N 3.27Å; F94-I98 HydrophobicContact CD1-CG1 4.37Å; F94-I98 HydrophobicContact CE1-CD1 3.8Å; F94-I98 HydrophobicContact CE1-CG1 3.96Å; F94-I98 HydrophobicContact CZ-CD1 4.15Å; F94-I98 PolarHBondContact O-N 2.8Å; F94-M166 HydrophobicContact CB-CE 4.06Å; F94-M166 HydrophobicContact CD1-CE 3.44Å; F94-M166 VanDerWaalsContact CD1-CE 3.44Å; F94-M166 HydrophobicContact CE1-CE 4.35Å; F94-M166 HydrophobicContact CG-CE 4.1Å
95A96.1Very high94.3Very high14 Ų1454.8 Ų54.812%0.11627%0.265CS..Hα-helixtrans-60.1-37.1178.700000112.5K91 L92 I98 Y99 F153 I162 M166K91-A95 PolarHBondContact O-N 3.41Å; L92-A95 PolarHBondContact O-N 2.97Å; A95-I98 WeakPolarHBondContact O-CB 3.39Å; A95-I98 PolarHBondContact O-N 3.16Å; A95-Y99 WeakPolarHBondContact O-CD2 3.5Å; A95-F153 HydrophobicContact CB-CE1 4.38Å; A95-F153 HydrophobicContact CB-CZ 4.1Å; A95-I162 HydrophobicContact CB-CD1 4.17Å; A95-M166 HydrophobicContact CB-CE 4.22Å; A95-M166 HydrophobicContact CB-SD 4.2Å
96F97.7Very high95Very high8 Ų852.5 Ų52.54%0.03525%0.254CS..Hα-helixtrans-62.4-48174.3-176.9-93.6000112.1L92 F94 I98 Y99 D100 G105 I107 F150 F153L92-F96 WeakPolarHBondContact O-CB 3.39Å; L92-F96 PolarHBondContact O-N 3.03Å; F94-F96 VanDerWaalsContact C-N 3.26Å; F94-F96 PolarHBondContact O-N 3.35Å; F96-I98 PolarHBondContact O-N 3.44Å; F96-I98 VanDerWaalsContact O-N 3.16Å; F96-Y99 WeakPolarHBondContact O-CA 3.32Å; F96-Y99 WeakPolarHBondContact O-CB 3.41Å; F96-Y99 PolarHBondContact O-N 3.08Å; F96-D100 HydrophobicContact CD1-CB 3.99Å; F96-D100 HydrophobicContact CE1-CB 3.69Å; F96-D100 HydrophobicContact CZ-CB 4.47Å; F96-D100 PolarHBondContact O-N 2.86Å; F96-G105 VanDerWaalsContact CZ-O 3.28Å; F96-G105 WeakPolarHBondContact CZ-O 3.42Å; F96-I107 HydrophobicContact CD2-CD1 3.53Å; F96-I107 HydrophobicContact CD2-CG1 4Å; F96-I107 HydrophobicContact CE1-CG1 4.44Å; F96-I107 HydrophobicContact CE2-CD1 3.49Å; F96-I107 VanDerWaalsContact CE2-CD1 3.49Å; F96-I107 HydrophobicContact CE2-CG1 3.56Å; F96-I107 HydrophobicContact CG-CD1 4.33Å; F96-I107 HydrophobicContact CZ-CD1 4.25Å; F96-I107 HydrophobicContact CZ-CG1 3.81Å; F96-F150 HydrophobicContact CB-CD2 3.99Å; F96-F150 HydrophobicContact CB-CE2 4.31Å; F96-F150 HydrophobicContact CD1-CD2 4.41Å; F96-F150 HydrophobicContact CD2-CD2 4.05Å; F96-F150 HydrophobicContact CE2-CB 4.31Å; F96-F150 AromaticContact CG-CD2 3.89Å; F96-F150 HydrophobicContact CG-CD2 3.89Å; F96-F150 HydrophobicContact CZ-CB 4.38Å; F96-F153 HydrophobicContact CB-CD1 4.18Å; F96-F153 HydrophobicContact CB-CE1 4.14Å; F96-F153 HydrophobicContact CD2-CB 3.65Å; F96-F153 AromaticContact CD2-CD1 3.95Å; F96-F153 HydrophobicContact CD2-CD1 3.95Å; F96-F153 HydrophobicContact CD2-CD2 4.06Å; F96-F153 AromaticContact CD2-CG 3.64Å; F96-F153 HydrophobicContact CD2-CG 3.64Å; F96-F153 HydrophobicContact CE2-CB 3.94Å; F96-F153 HydrophobicContact CE2-CG 4.38Å
97R97.8Very high95.9Very high79 Ų7952.1 Ų52.130%0.29825%0.25SC..Hα-helixtrans-64.3-16.7179-77-179.9-78.4165.8-4.1114.7R57 I61 R93 F94 Y99 D100R57-R97 PolarHBondContact NH2-O 2.99Å; I61-R97 HydrophobicContact CD1-CB 3.8Å; I61-R97 HydrophobicContact CG1-CB 3.96Å; R93-R97 WeakPolarHBondContact O-CB 3.41Å; R93-R97 WeakPolarHBondContact O-CG 3.39Å; R93-R97 PolarHBondContact O-N 3.09Å; R93-R97 VanDerWaalsContact O-N 3.08Å; R93-R97 PolarHBondContact O-NE 2.85Å; R93-R97 VanDerWaalsContact O-NE 3.14Å; F94-R97 PolarHBondContact O-N 3.27Å; R97-Y99 PolarHBondContact O-N 3.47Å; R97-D100 VanDerWaalsContact O-O 3.12Å
98I97.9Very high96.4Very high15 Ų1549.6 Ų49.68%0.07724%0.239CC..Hα-helixtrans-61.1-37.8169.1-66.8-71.8000110L54 R57 V58 I61 F94 A95 F96 V115L54-I98 HydrophobicContact CD1-CG2 4.41Å; L54-I98 HydrophobicContact CD2-CG2 4.25Å; R57-I98 HydrophobicContact CB-CD1 3.95Å; R57-I98 HydrophobicContact CB-CG2 4.28Å; R57-I98 PolarHBondContact NE-O 3.24Å; R57-I98 PolarHBondContact NH2-O 2.71Å; V58-I98 HydrophobicContact CG2-CD1 3.92Å; I61-I98 HydrophobicContact CD1-CD1 3.5Å; I61-I98 VanDerWaalsContact CD1-CD1 3.5Å; I61-I98 HydrophobicContact CD1-CG1 3.87Å; F94-I98 HydrophobicContact CD1-CG1 4.37Å; F94-I98 HydrophobicContact CE1-CD1 3.8Å; F94-I98 HydrophobicContact CE1-CG1 3.96Å; F94-I98 HydrophobicContact CZ-CD1 4.15Å; F94-I98 PolarHBondContact O-N 2.8Å; A95-I98 WeakPolarHBondContact O-CB 3.39Å; A95-I98 PolarHBondContact O-N 3.16Å; F96-I98 PolarHBondContact O-N 3.44Å; F96-I98 VanDerWaalsContact O-N 3.16Å; I98-V115 HydrophobicContact CG2-CG1 3.96Å; I98-V115 WeakPolarHBondContact O-CG2 3.45Å
99Y98.2Very high96.7Very high53 Ų5347.6 Ų47.621%0.20823%0.233CC..Hα-helixtrans-87.8-46.9179.3-63.1-84.9000113.2A95 F96 R97 M101 I107 E111 L112 V115 M119 F153A95-Y99 WeakPolarHBondContact O-CD2 3.5Å; F96-Y99 WeakPolarHBondContact O-CA 3.32Å; F96-Y99 WeakPolarHBondContact O-CB 3.41Å; F96-Y99 PolarHBondContact O-N 3.08Å; R97-Y99 PolarHBondContact O-N 3.47Å; Y99-M101 VanDerWaalsContact O-CG 3.23Å; Y99-M101 WeakPolarHBondContact O-CG 3.44Å; Y99-M101 PolarHBondContact O-N 3.24Å; Y99-I107 HydrophobicContact CD2-CD1 4.27Å; Y99-I107 HydrophobicContact CG-CD1 4.07Å; Y99-E111 WeakPolarHBondContact O-CB 3.22Å; Y99-L112 HydrophobicContact CD1-CD1 3.79Å; Y99-L112 HydrophobicContact CE1-CD1 3.76Å; Y99-V115 HydrophobicContact CD1-CB 3.71Å; Y99-V115 HydrophobicContact CD1-CG1 3.71Å; Y99-V115 HydrophobicContact CD1-CG2 4.2Å; Y99-V115 HydrophobicContact CE1-CB 3.96Å; Y99-V115 HydrophobicContact CE1-CG1 3.61Å; Y99-V115 HydrophobicContact CG-CG1 4.45Å; Y99-M119 HydrophobicContact CE1-CE 4.48Å; Y99-F153 HydrophobicContact CD2-CE2 4.41Å; Y99-F153 HydrophobicContact CE2-CE2 4.42Å
100D98.4Very high97Very high9 Ų944.6 Ų44.65%0.04823%0.228CC..  trans-67.596176.2172.310.8000109.7R57 F96 R97 K103 D104 G105 Y106R57-D100 PolarHBondContact NH2-O 3.42Å; F96-D100 HydrophobicContact CD1-CB 3.99Å; F96-D100 HydrophobicContact CE1-CB 3.69Å; F96-D100 HydrophobicContact CZ-CB 4.47Å; F96-D100 PolarHBondContact O-N 2.86Å; R97-D100 VanDerWaalsContact O-O 3.12Å; D100-K103 WeakPolarHBondContact OD1-CA 3.46Å; D100-K103 PolarHBondContact OD1-N 3.02Å; D100-D104 PolarHBondContact OD1-N 2.81Å; D100-D104 VanDerWaalsContact OD1-N 3.15Å; D100-G105 WeakPolarHBondContact OD2-CA 3.24Å; D100-G105 PolarHBondContact OD2-N 2.99Å; D100-G105 VanDerWaalsContact OD2-N 3.1Å; D100-Y106 WeakPolarHBondContact CB-O 3.28Å
101M97.3Very high97.3Very high52 Ų5242.9 Ų42.926%0.25622%0.22SC..SBendtrans-88.7-35.7-171-56.9-168.648.400112.9R57 Y99 K103 E111 Q114 V115 M118R57-M101 VanDerWaalsContact NH2-CA 3.32Å; Y99-M101 VanDerWaalsContact O-CG 3.23Å; Y99-M101 WeakPolarHBondContact O-CG 3.44Å; Y99-M101 PolarHBondContact O-N 3.24Å; M101-K103 VanDerWaalsContact C-N 3.33Å; M101-E111 WeakPolarHBondContact CA-OE1 3.37Å; M101-E111 HydrophobicContact CB-CG 4.1Å; M101-E111 HydrophobicContact CG-CB 4.42Å; M101-E111 HydrophobicContact CG-CG 4.07Å; M101-E111 PolarHBondContact N-OE1 2.96Å; M101-Q114 HydrophobicContact SD-CB 4.07Å; M101-Q114 PolarHBondContact SD-OE1 3.3Å; M101-V115 HydrophobicContact CG-CG2 4.46Å; M101-V115 HydrophobicContact SD-CG2 4.09Å; M101-M118 HydrophobicContact CE-CE 4.32Å
102D96.9Very high97.5Very high105 Ų10543.1 Ų43.156%0.56122%0.222SC*.SBendtrans-87.7-3.4177.77011.6000113.6D104 E111D102-D104 VanDerWaalsContact C-N 3.28Å; D102-D104 PolarHBondContact O-N 2.67Å; D102-D104 VanDerWaalsContact OD1-CB 3.23Å; D102-D104 WeakPolarHBondContact OD1-CB 3.36Å; D102-D104 PolarHBondContact OD1-N 2.74Å; D102-E111 PolarHBondContact N-OE1 3.18Å; D102-E111 VanDerWaalsContact N-OE1 3.09Å
103K96.3Very high97.7Very high125 Ų12544.7 Ų44.754%0.54323%0.228SC..  trans66.828.1176.3-52.1176.6178.8-179.40111.7D60 D63 D100 M101 G105D60-K103 PolarHBondContact O-NZ 2.9Å; D63-K103 PolarHBondContact O-NZ 3.31Å; D100-K103 WeakPolarHBondContact OD1-CA 3.46Å; D100-K103 PolarHBondContact OD1-N 3.02Å; M101-K103 VanDerWaalsContact C-N 3.33Å; K103-G105 VanDerWaalsContact C-N 3.27Å
104D97.7Very high97.8Very high74 Ų7444.5 Ų44.540%0.39623%0.231SC..SBendtrans-80.5-6.8178.188.6-16.1000113.8D100 D102 Y106 R147D100-D104 PolarHBondContact OD1-N 2.81Å; D100-D104 VanDerWaalsContact OD1-N 3.15Å; D102-D104 VanDerWaalsContact C-N 3.28Å; D102-D104 PolarHBondContact O-N 2.67Å; D102-D104 VanDerWaalsContact OD1-CB 3.23Å; D102-D104 WeakPolarHBondContact OD1-CB 3.36Å; D102-D104 PolarHBondContact OD1-N 2.74Å; D104-Y106 WeakPolarHBondContact O-CD2 3.44Å; D104-Y106 WeakPolarHBondContact OD1-CA 3.36Å; D104-Y106 VanDerWaalsContact OD1-CB 3.32Å; D104-Y106 WeakPolarHBondContact OD1-CB 3.42Å; D104-Y106 PolarHBondContact OD1-N 3.04Å; D104-R147 IonicContact OD2-NH1 3.61Å
105G98Very high98Very high34 Ų3444.1 Ų44.135%0.35123%0.23SC..SBendtrans89.78.3-179.800000114.4F96 D100 K103F96-G105 VanDerWaalsContact CZ-O 3.28Å; F96-G105 WeakPolarHBondContact CZ-O 3.42Å; D100-G105 WeakPolarHBondContact OD2-CA 3.24Å; D100-G105 PolarHBondContact OD2-N 2.99Å; D100-G105 VanDerWaalsContact OD2-N 3.1Å; K103-G105 VanDerWaalsContact C-N 3.27Å
106Y98.6Very high98Very high73 Ų7345 Ų4529%0.28623%0.232SC..EExtended strand (participates in β ladder)trans-128.2159.3178.2-60.5-91.9000110.9D100 D104 R147 I148D100-Y106 WeakPolarHBondContact CB-O 3.28Å; D104-Y106 WeakPolarHBondContact O-CD2 3.44Å; D104-Y106 WeakPolarHBondContact OD1-CA 3.36Å; D104-Y106 VanDerWaalsContact OD1-CB 3.32Å; D104-Y106 WeakPolarHBondContact OD1-CB 3.42Å; D104-Y106 PolarHBondContact OD1-N 3.04Å; Y106-R147 HydrophobicContact CD1-CG 3.78Å; Y106-R147 VanDerWaalsContact CE2-CZ 3.47Å; Y106-R147 HydrophobicContact CG-CG 4.11Å; Y106-R147 PolarHBondContact OH-NH2 3.31Å; Y106-I148 CarbonylContact C-O 3.58Å; Y106-I148 WeakPolarHBondContact CA-O 3.23Å
107I98.7Very high98.1Very high3 Ų346.9 Ų46.92%0.01524%0.24CC..EExtended strand (participates in β ladder)trans-106.4107.6166.4-57.2165.3000107.3F96 Y99 L112 R147 I148 F153F96-I107 HydrophobicContact CD2-CD1 3.53Å; F96-I107 HydrophobicContact CD2-CG1 4Å; F96-I107 HydrophobicContact CE1-CG1 4.44Å; F96-I107 HydrophobicContact CE2-CD1 3.49Å; F96-I107 VanDerWaalsContact CE2-CD1 3.49Å; F96-I107 HydrophobicContact CE2-CG1 3.56Å; F96-I107 HydrophobicContact CG-CD1 4.33Å; F96-I107 HydrophobicContact CZ-CD1 4.25Å; F96-I107 HydrophobicContact CZ-CG1 3.81Å; Y99-I107 HydrophobicContact CD2-CD1 4.27Å; Y99-I107 HydrophobicContact CG-CD1 4.07Å; I107-L112 HydrophobicContact CG2-CB 3.86Å; I107-R147 WeakPolarHBondContact O-CA 3.42Å; I107-I148 HydrophobicContact CB-CB 4.19Å; I107-I148 PolarHBondContact N-O 2.99Å; I107-I148 PolarHBondContact O-N 2.8Å; I107-F153 HydrophobicContact CD1-CD2 3.88Å; I107-F153 HydrophobicContact CD1-CE2 4.36Å
108S98.6Very high98Very high41 Ų4146.5 Ų46.529%0.28724%0.243SC..  trans-75165.2174.170.40000112.3G110 E111 L112S108-G110 VanDerWaalsContact C-N 3.28Å; S108-G110 PolarHBondContact O-N 3.11Å; S108-E111 VanDerWaalsContact CB-OE2 3.24Å; S108-E111 WeakPolarHBondContact CB-OE2 3.36Å; S108-E111 PolarHBondContact N-OE2 3.16Å; S108-E111 PolarHBondContact O-N 2.97Å; S108-E111 WeakPolarHBondContact OG-CB 3.43Å; S108-E111 VanDerWaalsContact OG-CD 3.28Å; S108-E111 WeakPolarHBondContact OG-CG 3.41Å; S108-E111 PolarHBondContact OG-N 2.94Å; S108-E111 PolarHBondContact OG-OE2 3.5Å; S108-L112 WeakPolarHBondContact O-CB 3.49Å; S108-L112 PolarHBondContact O-N 2.91Å
109N98.3Very high98Very high50 Ų5049.4 Ų49.427%0.26726%0.257SS..Hα-helixtrans-55.3-44172.1-172.8-69.6000112.5F113 Q130 V133 D134 I137N109-F113 WeakPolarHBondContact O-CB 3.44Å; N109-F113 PolarHBondContact O-N 3.36Å; N109-Q130 PolarHBondContact ND2-NE2 3.33Å; N109-Q130 PolarHBondContact OD1-NE2 3.24Å; N109-V133 HydrophobicContact CB-CG1 4.44Å; N109-V133 WeakPolarHBondContact O-CG1 3.34Å; N109-D134 PolarHBondContact ND2-OD1 3.16Å; N109-I137 HydrophobicContact CB-CD1 3.53Å
110G98.5Very high97.9Very high34 Ų3448.6 Ų48.635%0.35126%0.258SS..Hα-helixtrans-64.2-44.1-179.800000112.2S108 F113 Q114S108-G110 VanDerWaalsContact C-N 3.28Å; S108-G110 PolarHBondContact O-N 3.11Å; G110-F113 WeakPolarHBondContact O-CB 3.42Å; G110-F113 PolarHBondContact O-N 2.95Å; G110-Q114 VanDerWaalsContact O-CG 3.28Å; G110-Q114 WeakPolarHBondContact O-CG 3.49Å; G110-Q114 PolarHBondContact O-N 3.33Å
111E98.7Very high97.6Very high11 Ų1149.5 Ų49.55%0.05127%0.269CS..Hα-helixtrans-67.5-45.2-179.8-74.3168.4132.400112.4Y99 M101 D102 S108 F113 Q114 V115Y99-E111 WeakPolarHBondContact O-CB 3.22Å; M101-E111 WeakPolarHBondContact CA-OE1 3.37Å; M101-E111 HydrophobicContact CB-CG 4.1Å; M101-E111 HydrophobicContact CG-CB 4.42Å; M101-E111 HydrophobicContact CG-CG 4.07Å; M101-E111 PolarHBondContact N-OE1 2.96Å; D102-E111 PolarHBondContact N-OE1 3.18Å; D102-E111 VanDerWaalsContact N-OE1 3.09Å; S108-E111 VanDerWaalsContact CB-OE2 3.24Å; S108-E111 WeakPolarHBondContact CB-OE2 3.36Å; S108-E111 PolarHBondContact N-OE2 3.16Å; S108-E111 PolarHBondContact O-N 2.97Å; S108-E111 WeakPolarHBondContact OG-CB 3.43Å; S108-E111 VanDerWaalsContact OG-CD 3.28Å; S108-E111 WeakPolarHBondContact OG-CG 3.41Å; S108-E111 PolarHBondContact OG-N 2.94Å; S108-E111 PolarHBondContact OG-OE2 3.5Å; E111-F113 VanDerWaalsContact C-N 3.26Å; E111-F113 PolarHBondContact O-N 3.35Å; E111-Q114 PolarHBondContact O-N 3.22Å; E111-Q114 VanDerWaalsContact O-N 3.14Å; E111-V115 PolarHBondContact O-N 3.17Å
112L98.5Very high97.5Very high11 Ų1154.2 Ų54.26%0.05830%0.295CS..Hα-helixtrans-58.5-42.5174.7-17758.1000110.9Y99 I107 S108 L116 V133 T136 I137 I148Y99-L112 HydrophobicContact CD1-CD1 3.79Å; Y99-L112 HydrophobicContact CE1-CD1 3.76Å; I107-L112 HydrophobicContact CG2-CB 3.86Å; S108-L112 WeakPolarHBondContact O-CB 3.49Å; S108-L112 PolarHBondContact O-N 2.91Å; L112-L116 HydrophobicContact CD1-CD1 3.86Å; L112-L116 HydrophobicContact CD1-CG 4.07Å; L112-L116 HydrophobicContact CG-CD1 3.91Å; L112-L116 HydrophobicContact CG-CG 4.49Å; L112-L116 WeakPolarHBondContact O-CB 3.42Å; L112-L116 WeakPolarHBondContact O-CG 3.36Å; L112-L116 PolarHBondContact O-N 3.42Å; L112-V133 HydrophobicContact CB-CG1 4.24Å; L112-V133 HydrophobicContact CD2-CG1 4.15Å; L112-V133 HydrophobicContact CG-CG1 4.28Å; L112-V133 HydrophobicContact CG-CG2 4.35Å; L112-T136 HydrophobicContact CD2-CG2 3.82Å; L112-I137 HydrophobicContact CD2-CD1 4.46Å; L112-I137 HydrophobicContact CD2-CG1 4.1Å; L112-I148 HydrophobicContact CD2-CD1 4.44Å
113F98.6Very high97.5Very high41 Ų4156.1 Ų56.118%0.1831%0.305CS..Hα-helixtrans-59.7-49.5174.1179.8-83.1000111.8N109 G110 E111 V115 L116 K117 D126 L129 Q130 V133N109-F113 WeakPolarHBondContact O-CB 3.44Å; N109-F113 PolarHBondContact O-N 3.36Å; G110-F113 WeakPolarHBondContact O-CB 3.42Å; G110-F113 PolarHBondContact O-N 2.95Å; E111-F113 VanDerWaalsContact C-N 3.26Å; E111-F113 PolarHBondContact O-N 3.35Å; F113-V115 PolarHBondContact O-N 3.34Å; F113-L116 PolarHBondContact O-N 3.47Å; F113-K117 HydrophobicContact CD1-CB 4.46Å; F113-K117 HydrophobicContact CE1-CB 4.22Å; F113-K117 HydrophobicContact CE1-CG 4.42Å; F113-K117 VanDerWaalsContact O-CB 3.24Å; F113-K117 WeakPolarHBondContact O-CB 3.43Å; F113-K117 PolarHBondContact O-N 3.23Å; F113-D126 HydrophobicContact CE2-CB 4.42Å; F113-D126 HydrophobicContact CZ-CB 4.04Å; F113-L129 HydrophobicContact CD2-CB 4.47Å; F113-L129 HydrophobicContact CD2-CD2 4.02Å; F113-L129 HydrophobicContact CD2-CG 3.9Å; F113-L129 HydrophobicContact CE1-CD2 4.4Å; F113-L129 HydrophobicContact CE2-CB 3.99Å; F113-L129 HydrophobicContact CE2-CD2 3.74Å; F113-L129 HydrophobicContact CE2-CG 3.8Å; F113-L129 HydrophobicContact CG-CD2 4.46Å; F113-L129 HydrophobicContact CZ-CD2 3.94Å; F113-L129 HydrophobicContact CZ-CG 4.49Å; F113-Q130 HydrophobicContact CD2-CB 4.47Å; F113-Q130 HydrophobicContact CE2-CB 4.37Å; F113-V133 HydrophobicContact CB-CG1 4.45Å; F113-V133 HydrophobicContact CB-CG2 3.88Å; F113-V133 HydrophobicContact CD2-CG2 4.15Å; F113-V133 HydrophobicContact CG-CG2 4.48Å
114Q98.3Very high97.4Very high95 Ų9552.4 Ų52.444%0.44429%0.291SS..Hα-helixtrans-60.2-49.7-176.4-75.8177.213.400111.7M101 G110 E111 K117 M118M101-Q114 HydrophobicContact SD-CB 4.07Å; M101-Q114 PolarHBondContact SD-OE1 3.3Å; G110-Q114 VanDerWaalsContact O-CG 3.28Å; G110-Q114 WeakPolarHBondContact O-CG 3.49Å; G110-Q114 PolarHBondContact O-N 3.33Å; E111-Q114 PolarHBondContact O-N 3.22Å; E111-Q114 VanDerWaalsContact O-N 3.14Å; Q114-K117 WeakPolarHBondContact O-CB 3.23Å; Q114-K117 PolarHBondContact O-N 3.28Å; Q114-M118 WeakPolarHBondContact O-CG 3.42Å; Q114-M118 PolarHBondContact O-N 2.78Å
115V98.2Very high97.4Very high0 Ų055.9 Ų55.90%030%0.303CS..Hα-helixtrans-68.1-39.5-178.9179.30000111.6L54 I98 Y99 M101 E111 F113 K117 M118 M119L54-V115 HydrophobicContact CD2-CG1 3.88Å; I98-V115 HydrophobicContact CG2-CG1 3.96Å; I98-V115 WeakPolarHBondContact O-CG2 3.45Å; Y99-V115 HydrophobicContact CD1-CB 3.71Å; Y99-V115 HydrophobicContact CD1-CG1 3.71Å; Y99-V115 HydrophobicContact CD1-CG2 4.2Å; Y99-V115 HydrophobicContact CE1-CB 3.96Å; Y99-V115 HydrophobicContact CE1-CG1 3.61Å; Y99-V115 HydrophobicContact CG-CG1 4.45Å; M101-V115 HydrophobicContact CG-CG2 4.46Å; M101-V115 HydrophobicContact SD-CG2 4.09Å; E111-V115 PolarHBondContact O-N 3.17Å; F113-V115 PolarHBondContact O-N 3.34Å; V115-K117 VanDerWaalsContact C-N 3.31Å; V115-K117 PolarHBondContact O-N 2.73Å; V115-M118 WeakPolarHBondContact O-CB 3.44Å; V115-M118 PolarHBondContact O-N 3.31Å; V115-M119 HydrophobicContact CG1-CE 4.24Å; V115-M119 PolarHBondContact O-N 2.91Å
116L98Very high97.4Very high32 Ų3258.4 Ų58.417%0.16831%0.309CS..Hα-helixtrans-64.8-37.5173.3-67.7173.2000111.5L112 F113 M118 M119 V120 L129 V133L112-L116 HydrophobicContact CD1-CD1 3.86Å; L112-L116 HydrophobicContact CD1-CG 4.07Å; L112-L116 HydrophobicContact CG-CD1 3.91Å; L112-L116 HydrophobicContact CG-CG 4.49Å; L112-L116 WeakPolarHBondContact O-CB 3.42Å; L112-L116 WeakPolarHBondContact O-CG 3.36Å; L112-L116 PolarHBondContact O-N 3.42Å; F113-L116 PolarHBondContact O-N 3.47Å; L116-M118 VanDerWaalsContact C-N 3.33Å; L116-M118 PolarHBondContact O-N 3.08Å; L116-M119 HydrophobicContact CD2-CE 3.51Å; L116-M119 HydrophobicContact CG-CE 4.42Å; L116-M119 PolarHBondContact O-N 3.1Å; L116-M119 VanDerWaalsContact O-N 3.14Å; L116-V120 WeakPolarHBondContact O-CG1 3.45Å; L116-V120 WeakPolarHBondContact O-CG2 3.48Å; L116-V120 PolarHBondContact O-N 2.93Å; L116-L129 HydrophobicContact CB-CD1 3.73Å; L116-L129 HydrophobicContact CD1-CD1 4.3Å; L116-V133 HydrophobicContact CD1-CG2 3.95Å
117K98.1Very high97.4Very high47 Ų4759.6 Ų59.620%0.20432%0.324CS..Hα-helixtrans-61.7-40.5176.2-175.964.1-179.3-175.50111.5F113 Q114 V115 M119 G121 D126 L129F113-K117 HydrophobicContact CD1-CB 4.46Å; F113-K117 HydrophobicContact CE1-CB 4.22Å; F113-K117 HydrophobicContact CE1-CG 4.42Å; F113-K117 VanDerWaalsContact O-CB 3.24Å; F113-K117 WeakPolarHBondContact O-CB 3.43Å; F113-K117 PolarHBondContact O-N 3.23Å; Q114-K117 WeakPolarHBondContact O-CB 3.23Å; Q114-K117 PolarHBondContact O-N 3.28Å; V115-K117 VanDerWaalsContact C-N 3.31Å; V115-K117 PolarHBondContact O-N 2.73Å; K117-M119 VanDerWaalsContact C-N 3.31Å; K117-M119 PolarHBondContact O-N 3.42Å; K117-G121 WeakPolarHBondContact CE-O 3.45Å; K117-G121 PolarHBondContact NZ-O 3.5Å; K117-G121 VanDerWaalsContact NZ-O 3.09Å; K117-G121 WeakPolarHBondContact O-CA 3.4Å; K117-G121 PolarHBondContact O-N 3.3Å; K117-D126 IonicContact NZ-OD1 2.77Å; K117-D126 PolarHBondContact NZ-OD1 3.38Å; K117-L129 HydrophobicContact CB-CD2 3.66Å; K117-L129 HydrophobicContact CD-CD2 3.79Å; K117-L129 HydrophobicContact CG-CD2 4.31Å
118M97.2Very high97.4Very high71 Ų7163.7 Ų63.735%0.3534%0.342SS..Hα-helixtrans-57.6-44.2173.3-66.1168.7-172.400111.1P53 R57 M101 Q114 V115 L116P53-M118 HydrophobicContact CB-CB 4.27Å; P53-M118 WeakPolarHBondContact CB-O 2.99Å; R57-M118 HydrophobicContact CG-SD 4.01Å; M101-M118 HydrophobicContact CE-CE 4.32Å; Q114-M118 WeakPolarHBondContact O-CG 3.42Å; Q114-M118 PolarHBondContact O-N 2.78Å; V115-M118 WeakPolarHBondContact O-CB 3.44Å; V115-M118 PolarHBondContact O-N 3.31Å; L116-M118 VanDerWaalsContact C-N 3.33Å; L116-M118 PolarHBondContact O-N 3.08Å
119M96.4Very high97.4Very high76 Ų7661.8 Ų61.837%0.37433%0.329SS..Hα-helixtrans-74.6-42.2-178.1-67.9-171.5-76.200114L54 Y99 V115 L116 K117L54-M119 HydrophobicContact CD1-CG 4.3Å; L54-M119 HydrophobicContact CD1-SD 4.07Å; L54-M119 HydrophobicContact CD2-CG 3.99Å; L54-M119 HydrophobicContact CG-CG 4.24Å; Y99-M119 HydrophobicContact CE1-CE 4.48Å; V115-M119 HydrophobicContact CG1-CE 4.24Å; V115-M119 PolarHBondContact O-N 2.91Å; L116-M119 HydrophobicContact CD2-CE 3.51Å; L116-M119 HydrophobicContact CG-CE 4.42Å; L116-M119 PolarHBondContact O-N 3.1Å; L116-M119 VanDerWaalsContact O-N 3.14Å; K117-M119 VanDerWaalsContact C-N 3.31Å; K117-M119 PolarHBondContact O-N 3.42Å
120V95.9Very high97.4Very high36 Ų3662.2 Ų62.222%0.21833%0.329CS..Hα-helixtrans-85.9-21.2-176.1-54.60000112.8L116 N122 N123 L124 L129L116-V120 WeakPolarHBondContact O-CG1 3.45Å; L116-V120 WeakPolarHBondContact O-CG2 3.48Å; L116-V120 PolarHBondContact O-N 2.93Å; V120-N122 PolarHBondContact O-N 3.36Å; V120-N123 VanDerWaalsContact O-CB 3.31Å; V120-N123 WeakPolarHBondContact O-CB 3.48Å; V120-N123 PolarHBondContact O-N 2.8Å; V120-N123 VanDerWaalsContact O-N 3.15Å; V120-N123 PolarHBondContact O-ND2 2.93Å; V120-L124 HydrophobicContact CG1-CD1 4.33Å; V120-L124 HydrophobicContact CG2-CB 4.41Å; V120-L124 HydrophobicContact CG2-CD1 4.43Å; V120-L129 HydrophobicContact CG2-CD1 4.34Å; V120-L129 HydrophobicContact CG2-CD2 4.15Å
121G93.8Very high97.4Very high28 Ų2866.1 Ų66.129%0.28934%0.339SS..THydrogen-bonded Turntrans55.4-125.5-174.100000112.2K117K117-G121 WeakPolarHBondContact CE-O 3.45Å; K117-G121 PolarHBondContact NZ-O 3.5Å; K117-G121 VanDerWaalsContact NZ-O 3.09Å; K117-G121 WeakPolarHBondContact O-CA 3.4Å; K117-G121 PolarHBondContact O-N 3.3Å
122N94.1Very high97.4Very high151 Ų15169.3 Ų69.381%0.80736%0.355SS*.THydrogen-bonded Turntrans-97.210.3-179.7-66.9-32.9000113.6V120 L124V120-N122 PolarHBondContact O-N 3.36Å; N122-L124 PolarHBondContact O-N 3.34Å
123N96.4Very high97.4Very high145 Ų14568.8 Ų68.878%0.77535%0.352SS*.SBendtrans-69.6-18.8177.7-66.9-62.1000112.9V120V120-N123 VanDerWaalsContact O-CB 3.31Å; V120-N123 WeakPolarHBondContact O-CB 3.48Å; V120-N123 PolarHBondContact O-N 2.8Å; V120-N123 VanDerWaalsContact O-N 3.15Å; V120-N123 PolarHBondContact O-ND2 2.93Å
124L96Very high97.4Very high47 Ų4769.7 Ų69.725%0.24636%0.359CS..SBendtrans-125.1143.1173.4-65.1178000110.2V120 N122 Q128 L129 I132V120-L124 HydrophobicContact CG1-CD1 4.33Å; V120-L124 HydrophobicContact CG2-CB 4.41Å; V120-L124 HydrophobicContact CG2-CD1 4.43Å; N122-L124 PolarHBondContact O-N 3.34Å; L124-Q128 HydrophobicContact CB-CB 4.49Å; L124-Q128 HydrophobicContact CD2-CB 4.5Å; L124-L129 HydrophobicContact CD1-CD1 4.49Å; L124-I132 HydrophobicContact CD1-CD1 3.74Å
125K97.6Very high97.3Very high147 Ų14771.5 Ų71.564%0.63937%0.366SS*.  trans-66.6148.7165.1-64179.1-179.4179.70109.2T127 Q128 L129K125-T127 PolarHBondContact O-N 3Å; K125-T127 VanDerWaalsContact O-N 3.13Å; K125-Q128 HydrophobicContact CB-CG 4.24Å; K125-Q128 VanDerWaalsContact N-OE1 3.09Å; K125-Q128 WeakPolarHBondContact O-CA 3.34Å; K125-Q128 WeakPolarHBondContact O-CB 3.39Å; K125-Q128 PolarHBondContact O-N 2.99Å; K125-L129 PolarHBondContact O-N 3.34Å
126D98.1Very high97.3Very high88 Ų8874.1 Ų74.147%0.47138%0.382SS..Hα-helixtrans-57-34.6-179.9-62.6-7.9000112F113 K117 Q128 L129 Q130F113-D126 HydrophobicContact CE2-CB 4.42Å; F113-D126 HydrophobicContact CZ-CB 4.04Å; K117-D126 IonicContact NZ-OD1 2.77Å; K117-D126 PolarHBondContact NZ-OD1 3.38Å; D126-Q128 PolarHBondContact O-N 3.14Å; D126-L129 PolarHBondContact O-N 3.06Å; D126-Q130 VanDerWaalsContact O-CB 3.3Å; D126-Q130 WeakPolarHBondContact O-CB 3.4Å; D126-Q130 PolarHBondContact O-N 3.41Å
127T98.1Very high97.3Very high98 Ų9873.1 Ų73.160%0.60138%0.377SS*.Hα-helixtrans-66.2-35.1174.5540000113.7K125 Q131K125-T127 PolarHBondContact O-N 3Å; K125-T127 VanDerWaalsContact O-N 3.13Å; T127-Q131 VanDerWaalsContact O-CG 3.31Å; T127-Q131 WeakPolarHBondContact O-CG 3.28Å; T127-Q131 PolarHBondContact O-N 3.01Å
128Q98.3Very high97.3Very high88 Ų8877 Ų7741%0.41140%0.398SS..Hα-helixtrans-72.8-40.1175.6-64173.4-73.100110.5L124 K125 D126 Q131 I132L124-Q128 HydrophobicContact CB-CB 4.49Å; L124-Q128 HydrophobicContact CD2-CB 4.5Å; K125-Q128 HydrophobicContact CB-CG 4.24Å; K125-Q128 VanDerWaalsContact N-OE1 3.09Å; K125-Q128 WeakPolarHBondContact O-CA 3.34Å; K125-Q128 WeakPolarHBondContact O-CB 3.39Å; K125-Q128 PolarHBondContact O-N 2.99Å; D126-Q128 PolarHBondContact O-N 3.14Å; Q128-Q131 PolarHBondContact O-N 3.5Å; Q128-I132 WeakPolarHBondContact O-CG1 3.4Å; Q128-I132 PolarHBondContact O-N 3.35Å
129L98.4Very high97.3Very high2 Ų278.9 Ų78.91%0.0141%0.41CS..Hα-helixtrans-63.7-45.2175.8-178.258000111.2F113 L116 K117 V120 L124 K125 D126 Q131 I132 V133F113-L129 HydrophobicContact CD2-CB 4.47Å; F113-L129 HydrophobicContact CD2-CD2 4.02Å; F113-L129 HydrophobicContact CD2-CG 3.9Å; F113-L129 HydrophobicContact CE1-CD2 4.4Å; F113-L129 HydrophobicContact CE2-CB 3.99Å; F113-L129 HydrophobicContact CE2-CD2 3.74Å; F113-L129 HydrophobicContact CE2-CG 3.8Å; F113-L129 HydrophobicContact CG-CD2 4.46Å; F113-L129 HydrophobicContact CZ-CD2 3.94Å; F113-L129 HydrophobicContact CZ-CG 4.49Å; L116-L129 HydrophobicContact CB-CD1 3.73Å; L116-L129 HydrophobicContact CD1-CD1 4.3Å; K117-L129 HydrophobicContact CB-CD2 3.66Å; K117-L129 HydrophobicContact CD-CD2 3.79Å; K117-L129 HydrophobicContact CG-CD2 4.31Å; V120-L129 HydrophobicContact CG2-CD1 4.34Å; V120-L129 HydrophobicContact CG2-CD2 4.15Å; L124-L129 HydrophobicContact CD1-CD1 4.49Å; K125-L129 PolarHBondContact O-N 3.34Å; D126-L129 PolarHBondContact O-N 3.06Å; L129-Q131 VanDerWaalsContact C-N 3.3Å; L129-Q131 PolarHBondContact O-N 2.92Å; L129-I132 WeakPolarHBondContact O-CA 3.45Å; L129-I132 WeakPolarHBondContact O-CB 3.36Å; L129-I132 PolarHBondContact O-N 2.98Å; L129-V133 WeakPolarHBondContact O-CG2 3.31Å; L129-V133 PolarHBondContact O-N 3.18Å
130Q98.6Very high97.4Very high58 Ų5875.4 Ų75.427%0.27139%0.393SS..Hα-helixtrans-58.5-41.6176.4-170.162.353.900111.9N109 F113 D126 I132 V133 D134N109-Q130 PolarHBondContact ND2-NE2 3.33Å; N109-Q130 PolarHBondContact OD1-NE2 3.24Å; F113-Q130 HydrophobicContact CD2-CB 4.47Å; F113-Q130 HydrophobicContact CE2-CB 4.37Å; D126-Q130 VanDerWaalsContact O-CB 3.3Å; D126-Q130 WeakPolarHBondContact O-CB 3.4Å; D126-Q130 PolarHBondContact O-N 3.41Å; Q130-I132 PolarHBondContact O-N 3.45Å; Q130-V133 WeakPolarHBondContact O-CB 3.2Å; Q130-V133 PolarHBondContact O-N 3.44Å; Q130-V133 VanDerWaalsContact O-N 3.17Å; Q130-D134 PolarHBondContact NE2-OD1 3.2Å; Q130-D134 WeakPolarHBondContact O-CB 3.43Å; Q130-D134 PolarHBondContact O-N 3.14Å
131Q98.3Very high97.5Very high117 Ų11774.9 Ų74.955%0.54739%0.389SS..Hα-helixtrans-62-31.4175-75.1176.3-4.300113.3T127 Q128 L129 K135T127-Q131 VanDerWaalsContact O-CG 3.31Å; T127-Q131 WeakPolarHBondContact O-CG 3.28Å; T127-Q131 PolarHBondContact O-N 3.01Å; Q128-Q131 PolarHBondContact O-N 3.5Å; L129-Q131 VanDerWaalsContact C-N 3.3Å; L129-Q131 PolarHBondContact O-N 2.92Å; Q131-K135 WeakPolarHBondContact O-CB 3.17Å; Q131-K135 VanDerWaalsContact O-CG 3.23Å; Q131-K135 WeakPolarHBondContact O-CG 3.38Å; Q131-K135 PolarHBondContact O-N 3.21Å
132I98.1Very high97.7Very high77 Ų7780.8 Ų80.840%0.39541%0.407SS..Hα-helixtrans-72.6-44.5174.7-66.4166.2000109.7L124 Q128 L129 Q130 K135 T136L124-I132 HydrophobicContact CD1-CD1 3.74Å; Q128-I132 WeakPolarHBondContact O-CG1 3.4Å; Q128-I132 PolarHBondContact O-N 3.35Å; L129-I132 WeakPolarHBondContact O-CA 3.45Å; L129-I132 WeakPolarHBondContact O-CB 3.36Å; L129-I132 PolarHBondContact O-N 2.98Å; Q130-I132 PolarHBondContact O-N 3.45Å; I132-K135 PolarHBondContact O-N 3.36Å; I132-T136 WeakPolarHBondContact O-CB 3.45Å; I132-T136 PolarHBondContact O-N 2.92Å; I132-T136 PolarHBondContact O-OG1 3.46Å
133V98.4Very high97.8Very high0 Ų078.9 Ų78.90%040%0.397CS..Hα-helixtrans-57.5-53.2176.7172.10000110.4N109 L112 F113 L116 L129 Q130 K135 T136 I137N109-V133 HydrophobicContact CB-CG1 4.44Å; N109-V133 WeakPolarHBondContact O-CG1 3.34Å; L112-V133 HydrophobicContact CB-CG1 4.24Å; L112-V133 HydrophobicContact CD2-CG1 4.15Å; L112-V133 HydrophobicContact CG-CG1 4.28Å; L112-V133 HydrophobicContact CG-CG2 4.35Å; F113-V133 HydrophobicContact CB-CG1 4.45Å; F113-V133 HydrophobicContact CB-CG2 3.88Å; F113-V133 HydrophobicContact CD2-CG2 4.15Å; F113-V133 HydrophobicContact CG-CG2 4.48Å; L116-V133 HydrophobicContact CD1-CG2 3.95Å; L129-V133 WeakPolarHBondContact O-CG2 3.31Å; L129-V133 PolarHBondContact O-N 3.18Å; Q130-V133 WeakPolarHBondContact O-CB 3.2Å; Q130-V133 PolarHBondContact O-N 3.44Å; Q130-V133 VanDerWaalsContact O-N 3.17Å; V133-K135 PolarHBondContact O-N 3.15Å; V133-T136 WeakPolarHBondContact O-CB 3.42Å; V133-T136 PolarHBondContact O-N 3.45Å; V133-I137 HydrophobicContact CG1-CD1 4.24Å; V133-I137 PolarHBondContact O-N 2.82Å
134D98.3Very high97.9Very high61 Ų6175 Ų7533%0.32639%0.391SS..Hα-helixtrans-59.4-46.1-177.8-63.6-19.4000111.5N109 Q130 T136 I137 I138N109-D134 PolarHBondContact ND2-OD1 3.16Å; Q130-D134 PolarHBondContact NE2-OD1 3.2Å; Q130-D134 WeakPolarHBondContact O-CB 3.43Å; Q130-D134 PolarHBondContact O-N 3.14Å; D134-T136 VanDerWaalsContact C-N 3.29Å; D134-T136 PolarHBondContact O-N 2.74Å; D134-I137 PolarHBondContact O-N 2.94Å; D134-I138 WeakPolarHBondContact O-CB 3.42Å; D134-I138 WeakPolarHBondContact O-CD1 3.29Å; D134-I138 WeakPolarHBondContact O-CG1 3.23Å; D134-I138 PolarHBondContact O-N 3.46Å
135K98Very high97.9Very high132 Ų13275.9 Ų75.957%0.57440%0.396SS*.Hα-helixtrans-64.4-34.6175.9-74.4176.9-176.4178.70112.4Q131 I132 V133 N139Q131-K135 WeakPolarHBondContact O-CB 3.17Å; Q131-K135 VanDerWaalsContact O-CG 3.23Å; Q131-K135 WeakPolarHBondContact O-CG 3.38Å; Q131-K135 PolarHBondContact O-N 3.21Å; I132-K135 PolarHBondContact O-N 3.36Å; V133-K135 PolarHBondContact O-N 3.15Å; K135-N139 WeakPolarHBondContact O-CB 3.2Å; K135-N139 VanDerWaalsContact O-CG 3.31Å; K135-N139 PolarHBondContact O-N 3.26Å; K135-N139 PolarHBondContact O-ND2 3.04Å
136T97.9Very high97.9Very high56 Ų5670.9 Ų70.934%0.34439%0.386SS..Hα-helixtrans-67.2-47179.2-590000110.1L112 I132 V133 D134 N139 A140L112-T136 HydrophobicContact CD2-CG2 3.82Å; I132-T136 WeakPolarHBondContact O-CB 3.45Å; I132-T136 PolarHBondContact O-N 2.92Å; I132-T136 PolarHBondContact O-OG1 3.46Å; V133-T136 WeakPolarHBondContact O-CB 3.42Å; V133-T136 PolarHBondContact O-N 3.45Å; D134-T136 VanDerWaalsContact C-N 3.29Å; D134-T136 PolarHBondContact O-N 2.74Å; T136-N139 PolarHBondContact O-N 3.09Å; T136-A140 VanDerWaalsContact O-CB 3.3Å; T136-A140 WeakPolarHBondContact O-CB 3.3Å; T136-A140 PolarHBondContact O-N 2.89Å
137I98Very high98Very high11 Ų1170.4 Ų70.46%0.05638%0.378CS..Hα-helixtrans-61.7-51.4176.8-71.5173.5000110.7N109 L112 V133 D134 N139 A140 D141 I148N109-I137 HydrophobicContact CB-CD1 3.53Å; L112-I137 HydrophobicContact CD2-CD1 4.46Å; L112-I137 HydrophobicContact CD2-CG1 4.1Å; V133-I137 HydrophobicContact CG1-CD1 4.24Å; V133-I137 PolarHBondContact O-N 2.82Å; D134-I137 PolarHBondContact O-N 2.94Å; I137-N139 PolarHBondContact O-N 3.07Å; I137-A140 PolarHBondContact O-N 3.05Å; I137-D141 HydrophobicContact CG2-CB 4.13Å; I137-D141 WeakPolarHBondContact O-CB 3.19Å; I137-D141 PolarHBondContact O-N 3.45Å; I137-I148 HydrophobicContact CG1-CD1 4.05Å; I137-I148 HydrophobicContact CG1-CG1 4.25Å
138I97.6Very high98Very high127 Ų12766.1 Ų66.165%0.65135%0.351SS*.Hα-helixtrans-53.3-33.9178.4-69.6164.7000112.4D134D134-I138 WeakPolarHBondContact O-CB 3.42Å; D134-I138 WeakPolarHBondContact O-CD1 3.29Å; D134-I138 WeakPolarHBondContact O-CG1 3.23Å; D134-I138 PolarHBondContact O-N 3.46Å
139N97.3Very high98Very high111 Ų11162.6 Ų62.659%0.59434%0.336SS*.Hα-helixtrans-84.2-29.3179.5-75.2-49.9000113.7K135 T136 I137 K142K135-N139 WeakPolarHBondContact O-CB 3.2Å; K135-N139 VanDerWaalsContact O-CG 3.31Å; K135-N139 PolarHBondContact O-N 3.26Å; K135-N139 PolarHBondContact O-ND2 3.04Å; T136-N139 PolarHBondContact O-N 3.09Å; I137-N139 PolarHBondContact O-N 3.07Å; N139-K142 WeakPolarHBondContact O-CE 3.39Å; N139-K142 PolarHBondContact O-NZ 2.82Å
140A97.6Very high98Very high4 Ų463.4 Ų63.43%0.03334%0.34CS..Hα-helixtrans-89.7-46.1-175.300000112.3T136 I137 K142 I148 V156T136-A140 VanDerWaalsContact O-CB 3.3Å; T136-A140 WeakPolarHBondContact O-CB 3.3Å; T136-A140 PolarHBondContact O-N 2.89Å; I137-A140 PolarHBondContact O-N 3.05Å; A140-K142 WeakPolarHBondContact O-CG 3.46Å; A140-K142 PolarHBondContact O-N 2.72Å; A140-I148 HydrophobicContact CB-CD1 3.67Å; A140-I148 HydrophobicContact CB-CG1 3.87Å; A140-I148 HydrophobicContact CB-CG2 4.36Å; A140-V156 HydrophobicContact CB-CG2 3.84Å
141D97.9Very high98Very high25 Ų2566.8 Ų66.813%0.13436%0.355CS..  trans-64.8109.9179.8177.74.8000110.4I137 D143 G144 D145 G146I137-D141 HydrophobicContact CG2-CB 4.13Å; I137-D141 WeakPolarHBondContact O-CB 3.19Å; I137-D141 PolarHBondContact O-N 3.45Å; D141-D143 PolarHBondContact OD1-N 2.72Å; D141-G144 VanDerWaalsContact OD1-CA 3.23Å; D141-G144 WeakPolarHBondContact OD1-CA 3.24Å; D141-G144 PolarHBondContact OD1-N 2.98Å; D141-G144 WeakPolarHBondContact OD2-CA 3.35Å; D141-D145 PolarHBondContact OD1-N 3.02Å; D141-D145 PolarHBondContact OD2-N 2.95Å; D141-G146 VanDerWaalsContact OD2-CA 3.29Å; D141-G146 WeakPolarHBondContact OD2-CA 3.33Å; D141-G146 PolarHBondContact OD2-N 3.4Å
142K97.8Very high98Very high152 Ų15261.9 Ų61.966%0.66133%0.332SS*.SBendtrans-99.8-26.6-176.5-62.1-52.3170.3-161.60112.8N139 A140 E152N139-K142 WeakPolarHBondContact O-CE 3.39Å; N139-K142 PolarHBondContact O-NZ 2.82Å; A140-K142 WeakPolarHBondContact O-CG 3.46Å; A140-K142 PolarHBondContact O-N 2.72Å; K142-E152 HydrophobicContact CB-CG 4.46Å; K142-E152 HydrophobicContact CG-CG 4.36Å; K142-E152 PolarHBondContact N-OE1 3.33Å
143D97.8Very high98Very high111 Ų11159.1 Ų59.159%0.59432%0.318SS*.SBendtrans-93-13.5178.17114.1000113.4D141 D145 E152D141-D143 PolarHBondContact OD1-N 2.72Å; D143-D145 WeakPolarHBondContact OD1-CB 3.36Å; D143-D145 PolarHBondContact OD1-N 3.43Å; D143-D145 VanDerWaalsContact OD1-N 3.1Å; D143-E152 PolarHBondContact N-OE1 2.83Å
144G96.9Very high97.9Very high63 Ų6360.6 Ų60.665%0.64933%0.328SS*.  trans82.722.3173.500000113.9D141 G146D141-G144 VanDerWaalsContact OD1-CA 3.23Å; D141-G144 WeakPolarHBondContact OD1-CA 3.24Å; D141-G144 PolarHBondContact OD1-N 2.98Å; D141-G144 WeakPolarHBondContact OD2-CA 3.35Å; G144-G146 VanDerWaalsContact C-N 3.27Å; G144-G146 PolarHBondContact O-N 2.91Å
145D97.8Very high97.8Very high65 Ų6561.5 Ų61.535%0.34834%0.344SS..SBendtrans-80.6-5.1-179.886.1-11.9000114.1D141 D143 R147D141-D145 PolarHBondContact OD1-N 3.02Å; D141-D145 PolarHBondContact OD2-N 2.95Å; D143-D145 WeakPolarHBondContact OD1-CB 3.36Å; D143-D145 PolarHBondContact OD1-N 3.43Å; D143-D145 VanDerWaalsContact OD1-N 3.1Å; D145-R147 VanDerWaalsContact CG-CG 3.48Å; D145-R147 WeakPolarHBondContact OD1-CG 3.5Å; D145-R147 PolarHBondContact OD1-N 2.81Å; D145-R147 VanDerWaalsContact OD1-N 3.08Å; D145-R147 IonicContact OD1-NE 3.21Å; D145-R147 WeakPolarHBondContact OD2-CG 3.31Å; D145-R147 IonicContact OD2-CZ 2.78Å; D145-R147 IonicContact OD2-NE 2.74Å; D145-R147 PolarHBondContact OD2-NE 3.49Å; D145-R147 IonicContact OD2-NH2 3.94Å; D145-R147 PolarHBondContact OD2-NH2 2.79Å
146G97.4Very high97.6Very high43 Ų4359 Ų5944%0.44334%0.34SS..SBendtrans88.37.5173.900000114.8D141 G144D141-G146 VanDerWaalsContact OD2-CA 3.29Å; D141-G146 WeakPolarHBondContact OD2-CA 3.33Å; D141-G146 PolarHBondContact OD2-N 3.4Å; G144-G146 VanDerWaalsContact C-N 3.27Å; G144-G146 PolarHBondContact O-N 2.91Å
147R98.4Very high97.4Very high77 Ų7757.4 Ų57.429%0.29133%0.329SS..SBendtrans-137.9175.5178.451.2-172.9-177.4164.36.6109.2D104 Y106 I107 D145D104-R147 IonicContact OD2-NH1 3.61Å; Y106-R147 HydrophobicContact CD1-CG 3.78Å; Y106-R147 VanDerWaalsContact CE2-CZ 3.47Å; Y106-R147 HydrophobicContact CG-CG 4.11Å; Y106-R147 PolarHBondContact OH-NH2 3.31Å; I107-R147 WeakPolarHBondContact O-CA 3.42Å; D145-R147 VanDerWaalsContact CG-CG 3.48Å; D145-R147 WeakPolarHBondContact OD1-CG 3.5Å; D145-R147 PolarHBondContact OD1-N 2.81Å; D145-R147 VanDerWaalsContact OD1-N 3.08Å; D145-R147 IonicContact OD1-NE 3.21Å; D145-R147 WeakPolarHBondContact OD2-CG 3.31Å; D145-R147 IonicContact OD2-CZ 2.78Å; D145-R147 IonicContact OD2-NE 2.74Å; D145-R147 PolarHBondContact OD2-NE 3.49Å; D145-R147 IonicContact OD2-NH2 3.94Å; D145-R147 PolarHBondContact OD2-NH2 2.79Å
148I98.6Very high96.8Very high9 Ų957.5 Ų57.55%0.04633%0.333CS..EExtended strand (participates in β ladder)trans-114.4113.9-178.3-56.5171.1000108.4Y106 I107 L112 I137 A140 E152 F153Y106-I148 CarbonylContact C-O 3.58Å; Y106-I148 WeakPolarHBondContact CA-O 3.23Å; I107-I148 HydrophobicContact CB-CB 4.19Å; I107-I148 PolarHBondContact N-O 2.99Å; I107-I148 PolarHBondContact O-N 2.8Å; L112-I148 HydrophobicContact CD2-CD1 4.44Å; I137-I148 HydrophobicContact CG1-CD1 4.05Å; I137-I148 HydrophobicContact CG1-CG1 4.25Å; A140-I148 HydrophobicContact CB-CD1 3.67Å; A140-I148 HydrophobicContact CB-CG1 3.87Å; A140-I148 HydrophobicContact CB-CG2 4.36Å; I148-E152 HydrophobicContact CG2-CB 3.91Å; I148-F153 HydrophobicContact CG2-CB 3.99Å
149S98.6Very high96.4Very high13 Ų1354.9 Ų54.99%0.09134%0.338CS..EExtended strand (participates in β ladder)trans-69.3164.817062.40000112.1E151 E152 F153S149-E151 VanDerWaalsContact C-N 3.26Å; S149-E151 PolarHBondContact O-N 2.88Å; S149-E152 WeakPolarHBondContact CB-OE2 3.48Å; S149-E152 PolarHBondContact N-OE2 2.77Å; S149-E152 PolarHBondContact O-N 2.83Å; S149-E152 WeakPolarHBondContact OG-CB 3.42Å; S149-E152 VanDerWaalsContact OG-CG 3.23Å; S149-E152 WeakPolarHBondContact OG-CG 3.41Å; S149-E152 PolarHBondContact OG-N 3.15Å; S149-E152 PolarHBondContact OG-OE2 2.89Å; S149-F153 WeakPolarHBondContact O-CB 3.21Å; S149-F153 PolarHBondContact O-N 3.09Å
150F98.3Very high96.1Very high19 Ų1955.1 Ų55.18%0.08334%0.338CS..Hα-helixtrans-59.7-38175.3178.3-112000112.5E89 L92 R93 F96 F153 C154E89-F150 HydrophobicContact CG-CE1 4.15Å; E89-F150 HydrophobicContact CG-CZ 4.03Å; L92-F150 HydrophobicContact CB-CE2 4.17Å; L92-F150 HydrophobicContact CB-CZ 4.21Å; R93-F150 HydrophobicContact CB-CE2 4.2Å; R93-F150 HydrophobicContact CB-CZ 4.42Å; R93-F150 HydrophobicContact CG-CD2 4.2Å; R93-F150 HydrophobicContact CG-CE1 4.01Å; R93-F150 HydrophobicContact CG-CE2 3.47Å; R93-F150 VanDerWaalsContact CG-CE2 3.47Å; R93-F150 HydrophobicContact CG-CZ 3.34Å; F96-F150 HydrophobicContact CB-CD2 3.99Å; F96-F150 HydrophobicContact CB-CE2 4.31Å; F96-F150 HydrophobicContact CD1-CD2 4.41Å; F96-F150 HydrophobicContact CD2-CD2 4.05Å; F96-F150 HydrophobicContact CE2-CB 4.31Å; F96-F150 AromaticContact CG-CD2 3.89Å; F96-F150 HydrophobicContact CG-CD2 3.89Å; F96-F150 HydrophobicContact CZ-CB 4.38Å; F150-F153 PolarHBondContact O-N 2.68Å; F150-C154 VanDerWaalsContact CE2-SG 3.56Å; F150-C154 WeakPolarHBondContact CZ-SG 3.47Å; F150-C154 WeakPolarHBondContact O-CB 3.47Å; F150-C154 PolarHBondContact O-N 3.18Å; F150-C154 PolarHBondContact O-SG 2.89Å
151E98.2Very high95.7Very high129 Ų12958.2 Ų58.260%0.60335%0.354SS*.Hα-helixtrans-63.8-45.1178.1-69.568.6-152.800111.5S149 C154 A155S149-E151 VanDerWaalsContact C-N 3.26Å; S149-E151 PolarHBondContact O-N 2.88Å; E151-C154 WeakPolarHBondContact O-CB 3.42Å; E151-C154 PolarHBondContact O-N 3.25Å; E151-A155 PolarHBondContact O-N 3.37Å
152E98.4Very high95.3Very high14 Ų1459.1 Ų59.17%0.06536%0.359CS..Hα-helixtrans-67-41.9177.1-71.5163.1147.800111.8K142 D143 I148 S149 C154 A155 V156K142-E152 HydrophobicContact CB-CG 4.46Å; K142-E152 HydrophobicContact CG-CG 4.36Å; K142-E152 PolarHBondContact N-OE1 3.33Å; D143-E152 PolarHBondContact N-OE1 2.83Å; I148-E152 HydrophobicContact CG2-CB 3.91Å; S149-E152 WeakPolarHBondContact CB-OE2 3.48Å; S149-E152 PolarHBondContact N-OE2 2.77Å; S149-E152 PolarHBondContact O-N 2.83Å; S149-E152 WeakPolarHBondContact OG-CB 3.42Å; S149-E152 VanDerWaalsContact OG-CG 3.23Å; S149-E152 WeakPolarHBondContact OG-CG 3.41Å; S149-E152 PolarHBondContact OG-N 3.15Å; S149-E152 PolarHBondContact OG-OE2 2.89Å; E152-C154 VanDerWaalsContact C-N 3.31Å; E152-C154 PolarHBondContact O-N 2.98Å; E152-A155 WeakPolarHBondContact O-CB 3.39Å; E152-A155 PolarHBondContact O-N 3.47Å; E152-A155 VanDerWaalsContact O-N 3.15Å; E152-V156 WeakPolarHBondContact O-CG2 3.49Å; E152-V156 PolarHBondContact O-N 3.17Å
153F97.8Very high94.8Very high19 Ų1953.4 Ų53.48%0.08333%0.334CS..Hα-helixtrans-55.9-49172176.8-95.2000110.6A95 F96 Y99 I107 I148 S149 F150 A155 V156 V157A95-F153 HydrophobicContact CB-CE1 4.38Å; A95-F153 HydrophobicContact CB-CZ 4.1Å; F96-F153 HydrophobicContact CB-CD1 4.18Å; F96-F153 HydrophobicContact CB-CE1 4.14Å; F96-F153 HydrophobicContact CD2-CB 3.65Å; F96-F153 AromaticContact CD2-CD1 3.95Å; F96-F153 HydrophobicContact CD2-CD1 3.95Å; F96-F153 HydrophobicContact CD2-CD2 4.06Å; F96-F153 AromaticContact CD2-CG 3.64Å; F96-F153 HydrophobicContact CD2-CG 3.64Å; F96-F153 HydrophobicContact CE2-CB 3.94Å; F96-F153 HydrophobicContact CE2-CG 4.38Å; Y99-F153 HydrophobicContact CD2-CE2 4.41Å; Y99-F153 HydrophobicContact CE2-CE2 4.42Å; I107-F153 HydrophobicContact CD1-CD2 3.88Å; I107-F153 HydrophobicContact CD1-CE2 4.36Å; I148-F153 HydrophobicContact CG2-CB 3.99Å; S149-F153 WeakPolarHBondContact O-CB 3.21Å; S149-F153 PolarHBondContact O-N 3.09Å; F150-F153 PolarHBondContact O-N 2.68Å; F153-A155 VanDerWaalsContact C-N 3.3Å; F153-A155 PolarHBondContact O-N 3.27Å; F153-V156 PolarHBondContact O-N 2.96Å; F153-V156 VanDerWaalsContact O-N 3.09Å; F153-V157 HydrophobicContact CD1-CG2 3.72Å; F153-V157 HydrophobicContact CD2-CG1 4.43Å; F153-V157 HydrophobicContact CE1-CG2 3.37Å; F153-V157 HydrophobicContact CE2-CG1 4.08Å; F153-V157 HydrophobicContact CE2-CG2 4.28Å; F153-V157 HydrophobicContact CG-CG2 4.32Å; F153-V157 HydrophobicContact CZ-CG1 4.18Å; F153-V157 HydrophobicContact CZ-CG2 3.68Å; F153-V157 WeakPolarHBondContact O-CG2 3.3Å; F153-V157 PolarHBondContact O-N 2.95Å
154C96.6Very high94.5Very high32 Ų3254.2 Ų54.222%0.21633%0.332CS..Hα-helixtrans-60.7-37.3177-73.70000112.8F150 E151 E152 V156 G158F150-C154 VanDerWaalsContact CE2-SG 3.56Å; F150-C154 WeakPolarHBondContact CZ-SG 3.47Å; F150-C154 WeakPolarHBondContact O-CB 3.47Å; F150-C154 PolarHBondContact O-N 3.18Å; F150-C154 PolarHBondContact O-SG 2.89Å; E151-C154 WeakPolarHBondContact O-CB 3.42Å; E151-C154 PolarHBondContact O-N 3.25Å; E152-C154 VanDerWaalsContact C-N 3.31Å; E152-C154 PolarHBondContact O-N 2.98Å; C154-V156 VanDerWaalsContact C-N 3.29Å; C154-V156 PolarHBondContact O-N 3.42Å; C154-G158 WeakPolarHBondContact O-CA 3.34Å; C154-G158 PolarHBondContact O-N 3.02Å
155A96Very high94.2Very high80 Ų8060 Ų6066%0.66134%0.34SS*.Hα-helixtrans-63.6-35.4175.400000112.1E151 E152 F153E151-A155 PolarHBondContact O-N 3.37Å; E152-A155 WeakPolarHBondContact O-CB 3.39Å; E152-A155 PolarHBondContact O-N 3.47Å; E152-A155 VanDerWaalsContact O-N 3.15Å; F153-A155 VanDerWaalsContact C-N 3.3Å; F153-A155 PolarHBondContact O-N 3.27Å
156V93.9Very high93.9Very high80 Ų8058.5 Ų58.549%0.48533%0.331SS..Hα-helixtrans-77.7-49.1178.51750000112.1A140 E152 F153 C154A140-V156 HydrophobicContact CB-CG2 3.84Å; E152-V156 WeakPolarHBondContact O-CG2 3.49Å; E152-V156 PolarHBondContact O-N 3.17Å; F153-V156 PolarHBondContact O-N 2.96Å; F153-V156 VanDerWaalsContact O-N 3.09Å; C154-V156 VanDerWaalsContact C-N 3.29Å; C154-V156 PolarHBondContact O-N 3.42Å
157V93.8Very high93.6Very high21 Ų2159.5 Ų59.513%0.12733%0.329CS..Hα-helixtrans-99.6-12.9-170.2-52.80000114.2L92 F153 G159 L160 I162L92-V157 HydrophobicContact CD2-CG2 3.97Å; F153-V157 HydrophobicContact CD1-CG2 3.72Å; F153-V157 HydrophobicContact CD2-CG1 4.43Å; F153-V157 HydrophobicContact CE1-CG2 3.37Å; F153-V157 HydrophobicContact CE2-CG1 4.08Å; F153-V157 HydrophobicContact CE2-CG2 4.28Å; F153-V157 HydrophobicContact CG-CG2 4.32Å; F153-V157 HydrophobicContact CZ-CG1 4.18Å; F153-V157 HydrophobicContact CZ-CG2 3.68Å; F153-V157 WeakPolarHBondContact O-CG2 3.3Å; F153-V157 PolarHBondContact O-N 2.95Å; V157-G159 PolarHBondContact O-N 2.69Å; V157-G159 VanDerWaalsContact O-N 3.07Å; V157-L160 HydrophobicContact CB-CD1 4.31Å; V157-L160 HydrophobicContact CG1-CD1 4.46Å; V157-L160 WeakPolarHBondContact O-CB 3.5Å; V157-L160 PolarHBondContact O-N 2.84Å; V157-I162 HydrophobicContact CB-CD1 4.06Å; V157-I162 HydrophobicContact CG2-CD1 3.73Å
158G86.8Confident93Very high14 Ų1459.1 Ų59.114%0.14433%0.334CS..THydrogen-bonded Turntrans-62.3-21.9-170.600000114.8K88 C154K88-G158 PolarHBondContact NZ-O 3.29Å; C154-G158 WeakPolarHBondContact O-CA 3.34Å; C154-G158 PolarHBondContact O-N 3.02Å
159G88.6Confident92.1Very high72 Ų7265 Ų6574%0.74237%0.366SS*.THydrogen-bonded Turntrans-90.2-7.217500000115.2V157 D161V157-G159 PolarHBondContact O-N 2.69Å; V157-G159 VanDerWaalsContact O-N 3.07Å; G159-D161 VanDerWaalsContact C-N 3.29Å; G159-D161 PolarHBondContact O-N 3.19Å
160L91.1Very high91.2Very high115 Ų11565.3 Ų65.360%0.60237%0.367SS*.THydrogen-bonded Turntrans-85.80.9-177.1-60.9179.9000113.8V157 I162V157-L160 HydrophobicContact CB-CD1 4.31Å; V157-L160 HydrophobicContact CG1-CD1 4.46Å; V157-L160 WeakPolarHBondContact O-CB 3.5Å; V157-L160 PolarHBondContact O-N 2.84Å; L160-I162 HydrophobicContact CB-CG2 3.92Å; L160-I162 PolarHBondContact O-N 3.35Å
161D89.9Confident90.8Very high70 Ų7067.6 Ų67.637%0.37438%0.381SS..THydrogen-bonded Turntrans54.425-178.9-81.8-25.1000114.5G159 H163 K164G159-D161 VanDerWaalsContact C-N 3.29Å; G159-D161 PolarHBondContact O-N 3.19Å; D161-H163 PolarHBondContact O-N 3Å; D161-H163 VanDerWaalsContact O-N 3.16Å; D161-H163 IonicContact OD1-CE1 3.35Å; D161-H163 PolarHBondContact OD1-CE1 3.25Å; D161-K164 HydrophobicContact CB-CD 3.98Å; D161-K164 HydrophobicContact CB-CG 4.32Å; D161-K164 WeakPolarHBondContact O-CB 3.4Å; D161-K164 PolarHBondContact O-N 2.81Å; D161-K164 VanDerWaalsContact OD1-CE 3.31Å; D161-K164 WeakPolarHBondContact OD1-CE 3.31Å; D161-K164 IonicContact OD1-NZ 3.3Å; D161-K164 PolarHBondContact OD1-NZ 2.96Å; D161-K164 IonicContact OD2-NZ 3.5Å; D161-K164 PolarHBondContact OD2-NZ 3.47Å
162I88.4Confident90.4Very high44 Ų4464.4 Ų64.423%0.22637%0.37CS..G310 helixtrans-56.4-36.5-177.759.5170.3000112.9L92 A95 V157 L160 K164 K165 M166L92-I162 HydrophobicContact CD2-CD1 3.64Å; L92-I162 HydrophobicContact CD2-CG1 3.67Å; A95-I162 HydrophobicContact CB-CD1 4.17Å; V157-I162 HydrophobicContact CB-CD1 4.06Å; V157-I162 HydrophobicContact CG2-CD1 3.73Å; L160-I162 HydrophobicContact CB-CG2 3.92Å; L160-I162 PolarHBondContact O-N 3.35Å; I162-K164 PolarHBondContact O-N 3.34Å; I162-K164 VanDerWaalsContact O-N 3.17Å; I162-K165 WeakPolarHBondContact O-CB 3.23Å; I162-K165 PolarHBondContact O-N 3.4Å; I162-M166 PolarHBondContact O-N 3.29Å
163H88.2Confident90Very high31 Ų3167.2 Ų67.214%0.14439%0.387CS..G310 helixtrans-56.6-31.3176.567.3-75.6000112.9K88 K91 D161 K165 M166K88-H163 HydrophobicContact CG-CB 4.19Å; K91-H163 HydrophobicContact CB-CB 3.94Å; K91-H163 HydrophobicContact CD-CB 4.02Å; K91-H163 VanDerWaalsContact CD-O 3.25Å; K91-H163 WeakPolarHBondContact CD-O 3.16Å; D161-H163 PolarHBondContact O-N 3Å; D161-H163 VanDerWaalsContact O-N 3.16Å; D161-H163 IonicContact OD1-CE1 3.35Å; D161-H163 PolarHBondContact OD1-CE1 3.25Å; H163-K165 PolarHBondContact O-N 2.89Å; H163-M166 PolarHBondContact O-N 3.13Å
164K90.1Very high89.5Confident128 Ų12870 Ų7056%0.55741%0.405SS*.G310 helixtrans-69.8-21.8178-59.1-176.7-175.3162.70112.6D161 I162D161-K164 HydrophobicContact CB-CD 3.98Å; D161-K164 HydrophobicContact CB-CG 4.32Å; D161-K164 WeakPolarHBondContact O-CB 3.4Å; D161-K164 PolarHBondContact O-N 2.81Å; D161-K164 VanDerWaalsContact OD1-CE 3.31Å; D161-K164 WeakPolarHBondContact OD1-CE 3.31Å; D161-K164 IonicContact OD1-NZ 3.3Å; D161-K164 PolarHBondContact OD1-NZ 2.96Å; D161-K164 IonicContact OD2-NZ 3.5Å; D161-K164 PolarHBondContact OD2-NZ 3.47Å; I162-K164 PolarHBondContact O-N 3.34Å; I162-K164 VanDerWaalsContact O-N 3.17Å
165K91.2Very high89.1Confident184 Ų18472.4 Ų72.480%0.842%0.416SS*.G310 helixtrans-89-8.8177.1-61.8-178.5177.3178.20113.1I162 H163I162-K165 WeakPolarHBondContact O-CB 3.23Å; I162-K165 PolarHBondContact O-N 3.4Å; H163-K165 PolarHBondContact O-N 2.89Å
166M91.7Very high88.6Confident34 Ų3471.9 Ų71.917%0.16740%0.4CS..SBendtrans-104.440.8-178.2-62.6173.871.300110.5F82 K91 F94 A95 I162 H163F82-M166 WeakPolarHBondContact CA-O 3.46Å; F82-M166 HydrophobicContact CD1-CB 3.97Å; F82-M166 WeakPolarHBondContact CD1-O 3.42Å; F82-M166 HydrophobicContact CE1-CB 4.19Å; F82-M166 HydrophobicContact CE1-CE 3.75Å; K91-M166 HydrophobicContact CB-CB 4.45Å; K91-M166 HydrophobicContact CB-SD 4.39Å; K91-M166 HydrophobicContact CD-CB 4.25Å; K91-M166 WeakPolarHBondContact CE-O 3.25Å; K91-M166 HydrophobicContact CG-CB 4.38Å; K91-M166 WeakPolarHBondContact O-CE 3.48Å; F94-M166 HydrophobicContact CB-CE 4.06Å; F94-M166 HydrophobicContact CD1-CE 3.44Å; F94-M166 VanDerWaalsContact CD1-CE 3.44Å; F94-M166 HydrophobicContact CE1-CE 4.35Å; F94-M166 HydrophobicContact CG-CE 4.1Å; A95-M166 HydrophobicContact CB-CE 4.22Å; A95-M166 HydrophobicContact CB-SD 4.2Å; I162-M166 PolarHBondContact O-N 3.29Å; H163-M166 PolarHBondContact O-N 3.13Å
167V90.9Very high88.3Confident65 Ų6571.3 Ų71.339%0.39439%0.394SS..  trans-115.2127.4179.7-179.10000108.6F82 V84F82-V167 CarbonylContact O-C 3.48Å; F82-V167 WeakPolarHBondContact O-CA 3.5Å; V84-V167 HydrophobicContact CB-CG1 4.27Å; V84-V167 HydrophobicContact CG2-CG1 3.62Å
168V85.6Confident87.8Confident68 Ų6875.2 Ų75.241%0.41242%0.415SS..BIsolated β-bridgetrans-121.9131.1176.8178.20000108.5F82F82-V168 HydrophobicContact CB-CB 4.08Å; F82-V168 HydrophobicContact CB-CG2 3.9Å; F82-V168 PolarHBondContact O-N 3.33Å
169D81.1Confident87.9Confident133 Ų13380.3 Ų80.371%0.71144%0.437SS*.  trans-92.4139.8168.9-165.911.7000109.4
170V78.4Confident87.9Confident19 Ų1981 Ų8112%0.11541%0.409CS..  trans-111.40-167.4170.20000113.3F15 E19 R22 L23 R26 V79F15-V170 HydrophobicContact CE1-CB 4.15Å; F15-V170 HydrophobicContact CE1-CG2 3.65Å; F15-V170 HydrophobicContact CZ-CG2 3.77Å; E19-V170 HydrophobicContact CB-CG1 4.42Å; R22-V170 VanDerWaalsContact CZ-O 3.31Å; R22-V170 PolarHBondContact NE-O 3.33Å; R22-V170 PolarHBondContact NH2-O 3.43Å; L23-V170 HydrophobicContact CD1-CG1 3.87Å; L23-V170 HydrophobicContact CD2-CG1 3.6Å; L23-V170 HydrophobicContact CD2-CG2 4.18Å; L23-V170 HydrophobicContact CG-CG1 3.49Å; L23-V170 VanDerWaalsContact CG-CG1 3.49Å; R26-V170 PolarHBondContact NH2-OXT 2.76Å; V79-V170 HydrophobicContact CG1-CG2 4.29Å

Retrieved 170 of 170 residues in 223.5 ms (Link to these results)

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