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Testis-specific serine/threonine-protein kinase 3

Serine/threonine protein kinase required for spermatid development and male fertility.

AlphaFold DB , UniProt , Accession A0A096N320, Species PAPAN (Papio anubis, Olive baboon), Gene TSSK3, Length 268 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
1M88Confident94.3Very high73 Ų7369 Ų6936%0.3637%0.367SS..  0-53.30-173.551.570.600111.3F4 L5 V40 K83 C85M1-F4 WeakPolarHBondContact O-CB 3.3Å; M1-F4 PolarHBondContact O-N 3.1Å; M1-F4 HydrophobicContact SD-CD1 4.08Å; M1-L5 HydrophobicContact CG-CD1 4.26Å; M1-L5 PolarHBondContact O-N 2.88Å; M1-L5 HydrophobicContact SD-CD1 4Å; M1-L5 HydrophobicContact SD-CG 4.12Å; M1-V40 HydrophobicContact CE-CG1 3.79Å; M1-V40 HydrophobicContact CG-CG1 4.49Å; M1-V40 HydrophobicContact SD-CG1 4.31Å; M1-K83 HydrophobicContact CE-CB 3.57Å; M1-K83 HydrophobicContact CE-CD 3.49Å; M1-K83 VanDerWaalsContact CE-CD 3.49Å; M1-K83 HydrophobicContact CE-CG 4.11Å; M1-C85 VanDerWaalsContact SD-SG 3.61Å
2E89.8Confident94.5Very high122 Ų12265.1 Ų65.157%0.5735%0.346SS*.Hα-helixtrans-60.8-49.5180-171.1159.8-168.800113.1F4 L5 L6 L12E2-F4 VanDerWaalsContact C-N 3.26Å; E2-F4 PolarHBondContact O-N 3.23Å; E2-L5 PolarHBondContact O-N 3.2Å; E2-L6 WeakPolarHBondContact O-CB 3.4Å; E2-L6 PolarHBondContact O-N 3.28Å; E2-L12 HydrophobicContact CB-CD1 4.18Å; E2-L12 HydrophobicContact CG-CD1 4.16Å
3D92.9Very high94.5Very high130 Ų13063.2 Ų63.270%0.69535%0.352SS*.Hα-helixtrans-60.3-35.5175.5-60.1-37000113.2L6 S7D3-L6 PolarHBondContact O-N 3.41Å; D3-S7 WeakPolarHBondContact O-CB 3.36Å; D3-S7 PolarHBondContact O-N 3.46Å; D3-S7 PolarHBondContact O-OG 2.73Å
4F94.6Very high94.6Very high51 Ų5168.7 Ų68.722%0.22437%0.371CS..Hα-helixtrans-65.5-45.9176.7168-102.3000111.3M1 E2 S7 N8 L77 E78M1-F4 WeakPolarHBondContact O-CB 3.3Å; M1-F4 PolarHBondContact O-N 3.1Å; M1-F4 HydrophobicContact SD-CD1 4.08Å; E2-F4 VanDerWaalsContact C-N 3.26Å; E2-F4 PolarHBondContact O-N 3.23Å; F4-S7 PolarHBondContact O-OG 2.88Å; F4-N8 WeakPolarHBondContact CE2-ND2 3.32Å; F4-N8 PolarHBondContact O-N 3.46Å; F4-N8 PolarHBondContact O-ND2 3.4Å; F4-L77 HydrophobicContact CE1-CB 4.07Å; F4-L77 HydrophobicContact CZ-CB 3.99Å; F4-E78 WeakPolarHBondContact CZ-O 3.43Å
5L94.8Very high94.6Very high0 Ų068.3 Ų68.30%037%0.371CS..Hα-helixtrans-69.6-37.1177.4-72.6174.3000111.2M1 E2 N8 G9 Y10 L12 I38 L77 C85M1-L5 HydrophobicContact CG-CD1 4.26Å; M1-L5 PolarHBondContact O-N 2.88Å; M1-L5 HydrophobicContact SD-CD1 4Å; M1-L5 HydrophobicContact SD-CG 4.12Å; E2-L5 PolarHBondContact O-N 3.2Å; L5-N8 CarbonylContact O-C 3.53Å; L5-N8 PolarHBondContact O-N 2.96Å; L5-G9 PolarHBondContact O-N 3.19Å; L5-G9 VanDerWaalsContact O-N 3.17Å; L5-Y10 CarbonylContact C-O 3.53Å; L5-Y10 VanDerWaalsContact C-O 3.24Å; L5-Y10 WeakPolarHBondContact O-CA 3.48Å; L5-Y10 WeakPolarHBondContact O-CB 3.33Å; L5-Y10 PolarHBondContact O-N 2.93Å; L5-L12 HydrophobicContact CB-CG 4.46Å; L5-L12 HydrophobicContact CD1-CD1 3.97Å; L5-L12 HydrophobicContact CD1-CD2 3.66Å; L5-L12 HydrophobicContact CD1-CG 3.97Å; L5-I38 HydrophobicContact CD1-CD1 4.23Å; L5-I38 HydrophobicContact CD1-CG2 4.16Å; L5-I38 HydrophobicContact CD2-CD1 4.23Å; L5-I38 HydrophobicContact CD2-CG2 4.44Å; L5-L77 HydrophobicContact CD2-CD1 4.09Å; L5-C85 HydrophobicContact CD2-CB 4.11Å
6L95.1Very high94.5Very high81 Ų8168.6 Ų68.642%0.42437%0.372SS..Hα-helixtrans-63.5-43.1176.6-174.663.1000112.1E2 D3 N8 G9 Y10E2-L6 WeakPolarHBondContact O-CB 3.4Å; E2-L6 PolarHBondContact O-N 3.28Å; D3-L6 PolarHBondContact O-N 3.41Å; L6-N8 PolarHBondContact O-N 3.17Å; L6-G9 PolarHBondContact O-N 3.18Å; L6-Y10 WeakPolarHBondContact CA-O 3.44Å; L6-Y10 PolarHBondContact N-O 2.93Å
7S95.2Very high94.1Very high98 Ų9866.1 Ų66.169%0.68537%0.366SS*.Hα-helixtrans-66.2-28.117669.70000112.6D3 F4 G9D3-S7 WeakPolarHBondContact O-CB 3.36Å; D3-S7 PolarHBondContact O-N 3.46Å; D3-S7 PolarHBondContact O-OG 2.73Å; F4-S7 PolarHBondContact O-OG 2.88Å; S7-G9 PolarHBondContact O-N 3.29Å
8N95.6Very high93.7Very high71 Ų7170.4 Ų70.438%0.3838%0.382SS..THydrogen-bonded Turntrans-84.28.4170.4-74.8-85000113.5F4 L5 L6 Y10 L77F4-N8 WeakPolarHBondContact CE2-ND2 3.32Å; F4-N8 PolarHBondContact O-N 3.46Å; F4-N8 PolarHBondContact O-ND2 3.4Å; L5-N8 CarbonylContact O-C 3.53Å; L5-N8 PolarHBondContact O-N 2.96Å; L6-N8 PolarHBondContact O-N 3.17Å; N8-Y10 HydrophobicContact CB-CD2 4.1Å; N8-Y10 HydrophobicContact CB-CE2 4.37Å; N8-Y10 VanDerWaalsContact O-CD2 3.3Å; N8-Y10 WeakPolarHBondContact O-CD2 3.31Å; N8-Y10 VanDerWaalsContact O-CE2 3.31Å; N8-Y10 WeakPolarHBondContact O-CE2 3.3Å; N8-L77 HydrophobicContact CB-CD1 3.88Å
9G96.6Very high92.8Very high15 Ų1568.7 Ų68.716%0.15538%0.384CS..THydrogen-bonded Turntrans85.119.6173.300000115.4L5 L6 S7 K30L5-G9 PolarHBondContact O-N 3.19Å; L5-G9 VanDerWaalsContact O-N 3.17Å; L6-G9 PolarHBondContact O-N 3.18Å; S7-G9 PolarHBondContact O-N 3.29Å; G9-K30 WeakPolarHBondContact O-CB 3.24Å; G9-K30 WeakPolarHBondContact O-CG 3.44Å; G9-K30 PolarHBondContact O-N 3.46Å
10Y97.7Very high92Very high2 Ų271.5 Ų71.51%0.00840%0.402CS..EExtended strand (participates in β ladder)trans-114.9115.1178.3-61.3-80.8000111.1L5 L6 N8 F28 S29 V36 I38 E75 L77 V87L5-Y10 CarbonylContact C-O 3.53Å; L5-Y10 VanDerWaalsContact C-O 3.24Å; L5-Y10 WeakPolarHBondContact O-CA 3.48Å; L5-Y10 WeakPolarHBondContact O-CB 3.33Å; L5-Y10 PolarHBondContact O-N 2.93Å; L6-Y10 WeakPolarHBondContact CA-O 3.44Å; L6-Y10 PolarHBondContact N-O 2.93Å; N8-Y10 HydrophobicContact CB-CD2 4.1Å; N8-Y10 HydrophobicContact CB-CE2 4.37Å; N8-Y10 VanDerWaalsContact O-CD2 3.3Å; N8-Y10 WeakPolarHBondContact O-CD2 3.31Å; N8-Y10 VanDerWaalsContact O-CE2 3.31Å; N8-Y10 WeakPolarHBondContact O-CE2 3.3Å; Y10-F28 WeakPolarHBondContact CA-O 3.45Å; Y10-S29 VanDerWaalsContact CE1-OG 3.3Å; Y10-S29 WeakPolarHBondContact CE1-OG 3.34Å; Y10-V36 HydrophobicContact CD1-CG2 4.04Å; Y10-V36 HydrophobicContact CE1-CG2 4.23Å; Y10-I38 HydrophobicContact CD1-CD1 3.96Å; Y10-I38 HydrophobicContact CG-CD1 3.9Å; Y10-E75 PolarHBondContact OH-OE2 3.33Å; Y10-L77 HydrophobicContact CD2-CD1 4.21Å; Y10-L77 HydrophobicContact CE2-CD1 3.93Å; Y10-V87 HydrophobicContact CD1-CG1 4.3Å; Y10-V87 HydrophobicContact CE1-CB 4.37Å; Y10-V87 HydrophobicContact CE1-CG1 3.44Å; Y10-V87 VanDerWaalsContact CE1-CG1 3.44Å; Y10-V87 HydrophobicContact CE1-CG2 4.01Å; Y10-V87 HydrophobicContact CE2-CG2 4.05Å
11Q97.4Very high91.5Very high116 Ų11672 Ų7254%0.54240%0.399SS..EExtended strand (participates in β ladder)trans-90109.1174.4-177.4177.1-9.800109.1A27 F28Q11-A27 CarbonylContact O-C 3.54Å; Q11-A27 WeakPolarHBondContact O-CA 3.44Å; Q11-A27 WeakPolarHBondContact O-CB 3.4Å; Q11-F28 HydrophobicContact CB-CB 4.45Å; Q11-F28 PolarHBondContact N-O 2.84Å; Q11-F28 PolarHBondContact O-N 2.95Å
12L96.2Very high91.5Very high22 Ų2269.8 Ų69.812%0.11539%0.39CS..EExtended strand (participates in β ladder)trans-64.6145.8179.7-74.7-176.8000112E2 L5 K25 A27 I38E2-L12 HydrophobicContact CB-CD1 4.18Å; E2-L12 HydrophobicContact CG-CD1 4.16Å; L5-L12 HydrophobicContact CB-CG 4.46Å; L5-L12 HydrophobicContact CD1-CD1 3.97Å; L5-L12 HydrophobicContact CD1-CD2 3.66Å; L5-L12 HydrophobicContact CD1-CG 3.97Å; L12-K25 HydrophobicContact CD1-CD 4.03Å; L12-K25 HydrophobicContact CD2-CB 4.04Å; L12-K25 HydrophobicContact CD2-CD 4.06Å; L12-A27 HydrophobicContact CD2-CB 4.14Å; L12-I38 HydrophobicContact CD2-CD1 4.25Å
13G95.3Very high91.7Very high41 Ų4167.1 Ų67.142%0.42338%0.377SS..EExtended strand (participates in β ladder)trans-122.7-145.4170.800000111.4E26G13-E26 WeakPolarHBondContact CA-O 3.37Å; G13-E26 PolarHBondContact N-O 3.19Å
14K94.8Very high91.8Very high140 Ų14062.3 Ų62.361%0.60935%0.352SS*.EExtended strand (participates in β ladder)trans-67.1153.2-176.965.5178.7-179.9175.10112.5I16 K25 E26K14-I16 HydrophobicContact CD-CG2 4.31Å; K14-I16 HydrophobicContact CG-CG2 3.9Å; K14-K25 WeakPolarHBondContact O-CA 3.36Å; K14-E26 VanDerWaalsContact CE-OE2 3.29Å; K14-E26 WeakPolarHBondContact CE-OE2 3.37Å; K14-E26 HydrophobicContact CG-CB 4.33Å; K14-E26 PolarHBondContact O-N 3.25Å
15T95.3Very high91.9Very high62 Ų6262.5 Ų62.538%0.3835%0.353SS..EExtended strand (participates in β ladder)trans-69.8131.5164.5-56.80000109G17 K23T15-G17 WeakPolarHBondContact CG2-O 3.44Å; T15-K23 HydrophobicContact CG2-CD 3.92Å; T15-K23 HydrophobicContact CG2-CG 3.8Å
16I92.4Very high92Very high74 Ų7464.2 Ų64.238%0.37936%0.361SS..EExtended strand (participates in β ladder)trans-119.6-8.5-179.960.4175.6000112.8K14 V24 E26 A37 L90K14-I16 HydrophobicContact CD-CG2 4.31Å; K14-I16 HydrophobicContact CG-CG2 3.9Å; I16-V24 HydrophobicContact CD1-CG1 3.99Å; I16-V24 HydrophobicContact CG1-CB 4.18Å; I16-V24 HydrophobicContact CG1-CG1 3.78Å; I16-V24 PolarHBondContact N-O 2.78Å; I16-E26 HydrophobicContact CD1-CB 4.49Å; I16-E26 HydrophobicContact CG2-CB 4.06Å; I16-A37 HydrophobicContact CD1-CB 4.13Å; I16-L90 HydrophobicContact CD1-CD1 3.54Å
17G87.6Confident92.1Very high26 Ų2660.5 Ų60.527%0.26834%0.341SS..EExtended strand (participates in β ladder)trans-161.8150.2173.500000111.1T15 V24T15-G17 WeakPolarHBondContact CG2-O 3.44Å; G17-V24 PolarHBondContact N-O 2.66Å; G17-V24 PolarHBondContact O-N 3.18Å
18E86.6Confident92.2Very high143 Ų14359.7 Ų59.767%0.66833%0.326SS*.EExtended strand (participates in β ladder)trans-143.1122.5178.9-175.1154.5-160.500108.7K23E18-K23 WeakPolarHBondContact OE1-CE 3.45Å; E18-K23 IonicContact OE1-NZ 2.8Å; E18-K23 PolarHBondContact OE1-NZ 2.86Å; E18-K23 WeakPolarHBondContact OE2-CE 3.48Å; E18-K23 IonicContact OE2-NZ 2.77Å; E18-K23 PolarHBondContact OE2-NZ 3.48Å
19G78.1Confident92.3Very high39 Ų3956.3 Ų56.340%0.40231%0.307SS..EExtended strand (participates in β ladder)trans-120.8178.5174.200000110.5Y21 S22G19-Y21 VanDerWaalsContact C-N 3.3Å; G19-Y21 PolarHBondContact O-N 2.84Å; G19-S22 PolarHBondContact N-O 2.9Å; G19-S22 PolarHBondContact O-N 3.27Å; G19-S22 VanDerWaalsContact O-O 3.06Å
20T76.5Confident92.3Very high124 Ų12461.2 Ų61.276%0.76133%0.325SS*.THydrogen-bonded Turntrans-57.6-39.2-173-45.50000113.8
21Y81.7Confident92.1Very high83 Ų8367.4 Ų67.433%0.32535%0.352SS..THydrogen-bonded Turntrans-123.710.2-177.2-48.8-64.6000113.2G19 D42 P47 F50G19-Y21 VanDerWaalsContact C-N 3.3Å; G19-Y21 PolarHBondContact O-N 2.84Å; Y21-D42 PolarHBondContact O-N 2.95Å; Y21-D42 VanDerWaalsContact O-N 3.08Å; Y21-P47 WeakPolarHBondContact OH-CD 3.41Å; Y21-F50 HydrophobicContact CD2-CD1 4.23Å; Y21-F50 HydrophobicContact CD2-CD2 4.2Å; Y21-F50 HydrophobicContact CD2-CE1 4.28Å; Y21-F50 HydrophobicContact CD2-CE2 4.26Å; Y21-F50 HydrophobicContact CD2-CG 4.19Å; Y21-F50 HydrophobicContact CD2-CZ 4.29Å; Y21-F50 HydrophobicContact CG-CD1 4.36Å; Y21-F50 HydrophobicContact CG-CE1 4.19Å; Y21-F50 HydrophobicContact CG-CZ 4.45Å
22S88.4Confident91.8Very high25 Ų2564.6 Ų64.618%0.17534%0.338CS..EExtended strand (participates in β ladder)trans-147.2150.8-176.573.30000112.9G19 K39 V40G19-S22 PolarHBondContact N-O 2.9Å; G19-S22 PolarHBondContact O-N 3.27Å; G19-S22 VanDerWaalsContact O-O 3.06Å; S22-K39 WeakPolarHBondContact OG-CE 3.39Å; S22-V40 CarbonylContact C-O 3.47Å; S22-V40 WeakPolarHBondContact CA-O 3.27Å; S22-V40 WeakPolarHBondContact CB-O 3.27Å
23K92.9Very high91.8Very high67 Ų6770.1 Ų70.129%0.29136%0.364SS..EExtended strand (participates in β ladder)trans-126.7130.1173-180156.1-78.4178.80108.8T15 E18 K25 V40T15-K23 HydrophobicContact CG2-CD 3.92Å; T15-K23 HydrophobicContact CG2-CG 3.8Å; E18-K23 WeakPolarHBondContact OE1-CE 3.45Å; E18-K23 IonicContact OE1-NZ 2.8Å; E18-K23 PolarHBondContact OE1-NZ 2.86Å; E18-K23 WeakPolarHBondContact OE2-CE 3.48Å; E18-K23 IonicContact OE2-NZ 2.77Å; E18-K23 PolarHBondContact OE2-NZ 3.48Å; K23-K25 HydrophobicContact CG-CG 4.31Å; K23-V40 PolarHBondContact N-O 2.84Å; K23-V40 PolarHBondContact O-N 2.76Å
24V95Very high91.9Very high29 Ų2973.5 Ų73.518%0.17636%0.364CS..EExtended strand (participates in β ladder)trans-102.6124.6177.6-169.30000108.6I16 G17 A37 I38 K39 M88I16-V24 HydrophobicContact CD1-CG1 3.99Å; I16-V24 HydrophobicContact CG1-CB 4.18Å; I16-V24 HydrophobicContact CG1-CG1 3.78Å; I16-V24 PolarHBondContact N-O 2.78Å; G17-V24 PolarHBondContact N-O 2.66Å; G17-V24 PolarHBondContact O-N 3.18Å; V24-A37 HydrophobicContact CG1-CB 4.11Å; V24-I38 WeakPolarHBondContact CA-O 3.15Å; V24-K39 HydrophobicContact CG2-CB 4.1Å; V24-K39 HydrophobicContact CG2-CG 4.05Å; V24-M88 HydrophobicContact CG1-CE 4.4Å
25K96.3Very high92Very high55 Ų5571.4 Ų71.424%0.23936%0.355CS..EExtended strand (participates in β ladder)trans-118.6142.5177.3-65.3-168.7170.4-165.80111L12 K14 K23 A37 I38L12-K25 HydrophobicContact CD1-CD 4.03Å; L12-K25 HydrophobicContact CD2-CB 4.04Å; L12-K25 HydrophobicContact CD2-CD 4.06Å; K14-K25 WeakPolarHBondContact O-CA 3.36Å; K23-K25 HydrophobicContact CG-CG 4.31Å; K25-A37 CarbonylContact O-C 3.24Å; K25-A37 WeakPolarHBondContact O-CA 3.33Å; K25-I38 PolarHBondContact N-O 2.75Å; K25-I38 PolarHBondContact O-N 2.99Å
26E97.1Very high92.1Very high36 Ų3668.5 Ų68.517%0.16834%0.336CS..EExtended strand (participates in β ladder)trans-66.8144.3161.9-174.5179137.900108.8G13 K14 I16 K35 L90G13-E26 WeakPolarHBondContact CA-O 3.37Å; G13-E26 PolarHBondContact N-O 3.19Å; K14-E26 VanDerWaalsContact CE-OE2 3.29Å; K14-E26 WeakPolarHBondContact CE-OE2 3.37Å; K14-E26 HydrophobicContact CG-CB 4.33Å; K14-E26 PolarHBondContact O-N 3.25Å; I16-E26 HydrophobicContact CD1-CB 4.49Å; I16-E26 HydrophobicContact CG2-CB 4.06Å; E26-K35 WeakPolarHBondContact OE1-CD 3.34Å; E26-K35 VanDerWaalsContact OE1-CE 3.23Å; E26-K35 WeakPolarHBondContact OE1-CE 3.12Å; E26-K35 IonicContact OE1-NZ 3.29Å; E26-K35 PolarHBondContact OE1-NZ 3.47Å; E26-L90 HydrophobicContact CG-CD2 4.02Å
27A97.8Very high92.4Very high2 Ų265.2 Ų65.22%0.01732%0.32CS..EExtended strand (participates in β ladder)trans-148.6154.5171.900000111.1Q11 L12 K35 V36 I38Q11-A27 CarbonylContact O-C 3.54Å; Q11-A27 WeakPolarHBondContact O-CA 3.44Å; Q11-A27 WeakPolarHBondContact O-CB 3.4Å; L12-A27 HydrophobicContact CD2-CB 4.14Å; A27-K35 CarbonylContact O-C 3.56Å; A27-K35 WeakPolarHBondContact O-CA 3.23Å; A27-V36 HydrophobicContact CB-CG2 4.04Å; A27-V36 PolarHBondContact N-O 3.18Å; A27-V36 WeakPolarHBondContact O-CG2 3.48Å; A27-V36 PolarHBondContact O-N 3.37Å; A27-I38 HydrophobicContact CB-CD1 3.57Å; A27-I38 HydrophobicContact CB-CG1 3.99Å
28F97.9Very high92.8Very high81 Ų8164 Ų6436%0.35531%0.308SS..EExtended strand (participates in β ladder)trans-92.7125.1166.7-176.2-97.5000110Y10 Q11Y10-F28 WeakPolarHBondContact CA-O 3.45Å; Q11-F28 HydrophobicContact CB-CB 4.45Å; Q11-F28 PolarHBondContact N-O 2.84Å; Q11-F28 PolarHBondContact O-N 2.95Å
29S97.7Very high93.2Very high0 Ų057.9 Ų57.90%028%0.279CS..EExtended strand (participates in β ladder)trans-93.6118.9176.6178.60000111Y10 K31 H32 Q33 R34Y10-S29 VanDerWaalsContact CE1-OG 3.3Å; Y10-S29 WeakPolarHBondContact CE1-OG 3.34Å; S29-K31 VanDerWaalsContact C-N 3.29Å; S29-K31 PolarHBondContact O-N 2.78Å; S29-K31 PolarHBondContact OG-N 2.93Å; S29-H32 PolarHBondContact OG-CD2 3.27Å; S29-H32 VanDerWaalsContact OG-CD2 3.28Å; S29-H32 PolarHBondContact OG-N 3.22Å; S29-Q33 WeakPolarHBondContact O-CA 3.44Å; S29-Q33 PolarHBondContact O-N 3.04Å; S29-R34 PolarHBondContact N-O 3.18Å
30K95.6Very high93.9Very high118 Ų11857 Ų5751%0.51327%0.265SS..THydrogen-bonded Turntrans-66-31.7172.3-66.7-177.9-177.2176.30112.3G9 Q33G9-K30 WeakPolarHBondContact O-CB 3.24Å; G9-K30 WeakPolarHBondContact O-CG 3.44Å; G9-K30 PolarHBondContact O-N 3.46Å; K30-Q33 PolarHBondContact O-NE2 2.97Å
31K93.9Very high94.6Very high133 Ų13351.1 Ų51.158%0.57823%0.23SC*.THydrogen-bonded Turntrans-69.2-44.9178.5179.2-179.4176.5-176.30111.9S29 E75S29-K31 VanDerWaalsContact C-N 3.29Å; S29-K31 PolarHBondContact O-N 2.78Å; S29-K31 PolarHBondContact OG-N 2.93Å; K31-E75 IonicContact NZ-OE1 3.63Å; K31-E75 IonicContact NZ-OE2 3.4Å; K31-E75 PolarHBondContact NZ-OE2 3.21Å
32H91.6Very high94.9Very high57 Ų5749.9 Ų49.926%0.26423%0.229SC..THydrogen-bonded Turntrans-94.3-7.8-176.8-59.6-66.9000114.2S29 R34S29-H32 PolarHBondContact OG-CD2 3.27Å; S29-H32 VanDerWaalsContact OG-CD2 3.28Å; S29-H32 PolarHBondContact OG-N 3.22Å; H32-R34 HydrophobicContact CB-CG 3.76Å; H32-R34 PolarHBondContact O-N 3.07Å
33Q96.1Very high94.3Very high138 Ų13851 Ų5165%0.64523%0.231SC*.THydrogen-bonded Turntrans52.937.5-177.1-64.3-68-49.500112.9S29 K30S29-Q33 WeakPolarHBondContact O-CA 3.44Å; S29-Q33 PolarHBondContact O-N 3.04Å; K30-Q33 PolarHBondContact O-NE2 2.97Å
34R96Very high93.3Very high112 Ų11255.5 Ų55.542%0.42325%0.254SS..EExtended strand (participates in β ladder)trans-152.1165.8-179.564.4-179.3171.3-169.1-6.4111.6S29 H32 V36 Y74S29-R34 PolarHBondContact N-O 3.18Å; H32-R34 HydrophobicContact CB-CG 3.76Å; H32-R34 PolarHBondContact O-N 3.07Å; R34-V36 HydrophobicContact CG-CG1 4.45Å; R34-Y74 VanDerWaalsContact CZ-OH 3.3Å; R34-Y74 VanDerWaalsContact NH2-CE1 3.25Å; R34-Y74 PolarHBondContact NH2-OH 3.04Å; R34-Y74 VanDerWaalsContact NH2-OH 3.1Å
35K97.3Very high92Very high96 Ų9656.9 Ų56.942%0.41728%0.275SS..EExtended strand (participates in β ladder)trans-68.6144.1168-64.6-176.4174-161.50111E26 A27 L90E26-K35 WeakPolarHBondContact OE1-CD 3.34Å; E26-K35 VanDerWaalsContact OE1-CE 3.23Å; E26-K35 WeakPolarHBondContact OE1-CE 3.12Å; E26-K35 IonicContact OE1-NZ 3.29Å; E26-K35 PolarHBondContact OE1-NZ 3.47Å; A27-K35 CarbonylContact O-C 3.56Å; A27-K35 WeakPolarHBondContact O-CA 3.23Å; K35-L90 HydrophobicContact CB-CD2 3.61Å; K35-L90 HydrophobicContact CD-CD2 4.19Å
36V97.8Very high90.8Very high0 Ų055 Ų550%027%0.271CS..EExtended strand (participates in β ladder)trans-137.3161.3179.1-63.10000109.1Y10 A27 R34 I38 Y74 V87 M88Y10-V36 HydrophobicContact CD1-CG2 4.04Å; Y10-V36 HydrophobicContact CE1-CG2 4.23Å; A27-V36 HydrophobicContact CB-CG2 4.04Å; A27-V36 PolarHBondContact N-O 3.18Å; A27-V36 WeakPolarHBondContact O-CG2 3.48Å; A27-V36 PolarHBondContact O-N 3.37Å; R34-V36 HydrophobicContact CG-CG1 4.45Å; V36-I38 HydrophobicContact CG2-CG1 4.24Å; V36-Y74 HydrophobicContact CG1-CD2 4.2Å; V36-Y74 HydrophobicContact CG1-CE2 4.09Å; V36-V87 HydrophobicContact CB-CG1 4.21Å; V36-V87 HydrophobicContact CG1-CG1 4.4Å; V36-V87 HydrophobicContact CG2-CG1 4.07Å; V36-M88 WeakPolarHBondContact CA-O 3.39Å; V36-M88 WeakPolarHBondContact CB-O 2.94Å
37A97.7Very high90Very high5 Ų556.4 Ų56.44%0.04128%0.283CS..EExtended strand (participates in β ladder)trans-100138.816700000109.1I16 V24 K25 M88 L90I16-A37 HydrophobicContact CD1-CB 4.13Å; V24-A37 HydrophobicContact CG1-CB 4.11Å; K25-A37 CarbonylContact O-C 3.24Å; K25-A37 WeakPolarHBondContact O-CA 3.33Å; A37-M88 HydrophobicContact CB-CB 4.46Å; A37-M88 HydrophobicContact CB-CE 4.18Å; A37-M88 PolarHBondContact N-O 2.75Å; A37-M88 PolarHBondContact O-N 2.84Å; A37-L90 HydrophobicContact CB-CD1 4Å
38I97.2Very high89.2Confident0 Ų062.6 Ų62.60%031%0.312CS..EExtended strand (participates in β ladder)trans-119.9108.7175.1-55.9-176.2000108.7L5 Y10 L12 V24 K25 A27 V36 V40 C85 L86 V87L5-I38 HydrophobicContact CD1-CD1 4.23Å; L5-I38 HydrophobicContact CD1-CG2 4.16Å; L5-I38 HydrophobicContact CD2-CD1 4.23Å; L5-I38 HydrophobicContact CD2-CG2 4.44Å; Y10-I38 HydrophobicContact CD1-CD1 3.96Å; Y10-I38 HydrophobicContact CG-CD1 3.9Å; L12-I38 HydrophobicContact CD2-CD1 4.25Å; V24-I38 WeakPolarHBondContact CA-O 3.15Å; K25-I38 PolarHBondContact N-O 2.75Å; K25-I38 PolarHBondContact O-N 2.99Å; A27-I38 HydrophobicContact CB-CD1 3.57Å; A27-I38 HydrophobicContact CB-CG1 3.99Å; V36-I38 HydrophobicContact CG2-CG1 4.24Å; I38-V40 HydrophobicContact CG2-CG2 4.06Å; I38-V40 PolarHBondContact O-N 3.45Å; I38-C85 HydrophobicContact CG2-CB 3.92Å; I38-L86 CarbonylContact C-O 3.58Å; I38-L86 VanDerWaalsContact CA-O 3.27Å; I38-L86 WeakPolarHBondContact CA-O 3.37Å; I38-V87 HydrophobicContact CG1-CG2 4.46Å
39K94.9Very high88.4Confident15 Ų1562.8 Ų62.87%0.06531%0.313CS..EExtended strand (participates in β ladder)trans-84.9108.5171.2-176.9176.3-177.2-174.30108S22 V24 I41 E58 C85 L86 M88 D151S22-K39 WeakPolarHBondContact OG-CE 3.39Å; V24-K39 HydrophobicContact CG2-CB 4.1Å; V24-K39 HydrophobicContact CG2-CG 4.05Å; K39-I41 HydrophobicContact CD-CD1 4.43Å; K39-I41 HydrophobicContact CD-CG1 4.47Å; K39-I41 HydrophobicContact CG-CD1 4.44Å; K39-I41 HydrophobicContact CG-CG1 4.03Å; K39-E58 IonicContact NZ-OE1 2.76Å; K39-E58 PolarHBondContact NZ-OE1 2.8Å; K39-E58 IonicContact NZ-OE2 2.75Å; K39-C85 WeakPolarHBondContact O-CA 3.18Å; K39-L86 HydrophobicContact CB-CB 4.31Å; K39-L86 HydrophobicContact CD-CD1 4.49Å; K39-L86 PolarHBondContact N-O 2.86Å; K39-L86 PolarHBondContact O-N 3.07Å; K39-M88 HydrophobicContact CB-CE 3.61Å; K39-M88 HydrophobicContact CB-SD 4.19Å; K39-D151 IonicContact NZ-OD1 2.75Å; K39-D151 PolarHBondContact NZ-OD1 2.86Å
40V93.7Very high87.5Confident20 Ų2064 Ų6412%0.12132%0.319CS..EExtended strand (participates in β ladder)trans-92.5118.7175.4-175.40000108M1 S22 K23 I38 K83 I84M1-V40 HydrophobicContact CE-CG1 3.79Å; M1-V40 HydrophobicContact CG-CG1 4.49Å; M1-V40 HydrophobicContact SD-CG1 4.31Å; S22-V40 CarbonylContact C-O 3.47Å; S22-V40 WeakPolarHBondContact CA-O 3.27Å; S22-V40 WeakPolarHBondContact CB-O 3.27Å; K23-V40 PolarHBondContact N-O 2.84Å; K23-V40 PolarHBondContact O-N 2.76Å; I38-V40 HydrophobicContact CG2-CG2 4.06Å; I38-V40 PolarHBondContact O-N 3.45Å; V40-K83 HydrophobicContact CG1-CB 4.5Å; V40-K83 HydrophobicContact CG1-CD 4.33Å; V40-I84 CarbonylContact C-O 3.52Å; V40-I84 WeakPolarHBondContact CA-O 3.48Å
41I90.9Very high86.9Confident1 Ų161.2 Ų61.21%0.00531%0.309CS..EExtended strand (participates in β ladder)trans-110.4125.1-177.6-54.8173.5000108.4K39 F50 L55 K83 I84 L86K39-I41 HydrophobicContact CD-CD1 4.43Å; K39-I41 HydrophobicContact CD-CG1 4.47Å; K39-I41 HydrophobicContact CG-CD1 4.44Å; K39-I41 HydrophobicContact CG-CG1 4.03Å; I41-F50 HydrophobicContact CG2-CE1 4.18Å; I41-F50 HydrophobicContact CG2-CZ 3.89Å; I41-L55 HydrophobicContact CD1-CD1 3.72Å; I41-L55 HydrophobicContact CG2-CD1 4.03Å; I41-L55 HydrophobicContact CG2-CD2 4.18Å; I41-K83 WeakPolarHBondContact O-CA 3.42Å; I41-I84 HydrophobicContact CB-CB 4.44Å; I41-I84 PolarHBondContact N-O 3.26Å; I41-I84 PolarHBondContact O-N 3.43Å; I41-L86 HydrophobicContact CD1-CD1 4.06Å; I41-L86 HydrophobicContact CD1-CG 4.37Å
42D86.8Confident86.3Confident58 Ų5860.8 Ų60.831%0.3131%0.309SS..  trans-94.1109.6175.2-161.2-30.4000110.4Y21 M44 K83Y21-D42 PolarHBondContact O-N 2.95Å; Y21-D42 VanDerWaalsContact O-N 3.08Å; D42-M44 VanDerWaalsContact C-N 3.31Å; D42-M44 PolarHBondContact OD1-N 2.87Å; D42-K83 WeakPolarHBondContact OD2-CE 3.45Å; D42-K83 IonicContact OD2-NZ 3.98Å
43K77.3Confident85.8Confident49 Ų4964.2 Ų64.221%0.21332%0.319CS..SBendtrans-68.8-30.8177.9-64.9-176.1-171.5168.50112.3G45 I51 L55 E78 G82 I84K43-G45 VanDerWaalsContact C-N 3.35Å; K43-G45 PolarHBondContact O-N 2.79Å; K43-I51 WeakPolarHBondContact O-CD1 3.46Å; K43-I51 WeakPolarHBondContact O-CG1 3.41Å; K43-L55 HydrophobicContact CG-CD2 3.86Å; K43-E78 IonicContact NZ-OE1 2.88Å; K43-E78 PolarHBondContact NZ-OE1 3.49Å; K43-E78 IonicContact NZ-OE2 2.71Å; K43-G82 WeakPolarHBondContact CD-O 3.44Å; K43-G82 WeakPolarHBondContact CE-O 3.46Å; K43-G82 WeakPolarHBondContact CG-O 3.38Å; K43-I84 HydrophobicContact CD-CD1 4.35Å; K43-I84 VanDerWaalsContact CE-CG1 3.41Å; K43-I84 HydrophobicContact CG-CD1 4.5Å
44M70.9Confident85.1Confident161 Ų16159 Ų5979%0.79330%0.295SS*.THydrogen-bonded Turntrans-85.2-9.7-163.5-64.3-65.1-75.100113.3D42D42-M44 VanDerWaalsContact C-N 3.31Å; D42-M44 PolarHBondContact OD1-N 2.87Å
45G66.9Low84.5Confident58 Ų5853.8 Ų53.860%0.59828%0.275SS*.THydrogen-bonded Turntrans-106.50.317700000115.1K43K43-G45 VanDerWaalsContact C-N 3.35Å; K43-G45 PolarHBondContact O-N 2.79Å
46G71.6Confident84Confident15 Ų1552.3 Ų52.316%0.15528%0.275CS..SBendtrans-90.5155.3-175.700000113.9I51G46-I51 WeakPolarHBondContact O-CD1 3.44Å
47P79.8Confident83.4Confident66 Ų6654.9 Ų54.943%0.42929%0.285SS..  trans-64.2153.4169.725.8-31.7000110.8Y21 E49 F50 I51Y21-P47 WeakPolarHBondContact OH-CD 3.41Å; P47-E49 PolarHBondContact O-N 2.86Å; P47-E49 VanDerWaalsContact O-N 3.15Å; P47-F50 HydrophobicContact CG-CB 3.92Å; P47-F50 WeakPolarHBondContact O-CB 3.42Å; P47-F50 PolarHBondContact O-N 3.05Å; P47-I51 PolarHBondContact O-N 3.2Å
48E82.6Confident83Confident132 Ų13254.9 Ų54.962%0.61728%0.284SS*.Hα-helixtrans-54.1-38.8-177-171.9172.9-167.600112.6F50 I51 Q52E48-F50 VanDerWaalsContact C-N 3.34Å; E48-F50 PolarHBondContact O-N 3.16Å; E48-I51 PolarHBondContact O-N 3Å; E48-Q52 VanDerWaalsContact CG-CD 3.48Å; E48-Q52 HydrophobicContact CG-CG 4.08Å; E48-Q52 WeakPolarHBondContact O-CB 3.47Å; E48-Q52 WeakPolarHBondContact O-CG 3.42Å; E48-Q52 PolarHBondContact O-N 3.07Å; E48-Q52 PolarHBondContact OE1-NE2 2.85Å
49E79.5Confident82.6Confident84 Ų8456.1 Ų56.139%0.39329%0.291SS..Hα-helixtrans-60.9-40.3176.4-178.6162-141.400112.9P47 R53 F54P47-E49 PolarHBondContact O-N 2.86Å; P47-E49 VanDerWaalsContact O-N 3.15Å; E49-R53 WeakPolarHBondContact O-CA 3.48Å; E49-R53 VanDerWaalsContact O-CB 3.28Å; E49-R53 WeakPolarHBondContact O-CB 3.47Å; E49-R53 PolarHBondContact O-N 2.82Å; E49-R53 IonicContact OE1-CZ 3.46Å; E49-R53 IonicContact OE1-NH1 2.68Å; E49-R53 PolarHBondContact OE1-NH1 2.74Å; E49-F54 HydrophobicContact CG-CD2 4.31Å; E49-F54 HydrophobicContact CG-CE2 3.75Å; E49-F54 HydrophobicContact CG-CZ 4.05Å; E49-F54 PolarHBondContact O-N 2.77Å
50F80.3Confident82.4Confident25 Ų2561 Ų6111%0.1131%0.314CS..Iπ-helixtrans-64.5-47.9176.6170.9-104000111.1Y21 I41 P47 E48 F54 L55Y21-F50 HydrophobicContact CD2-CD1 4.23Å; Y21-F50 HydrophobicContact CD2-CD2 4.2Å; Y21-F50 HydrophobicContact CD2-CE1 4.28Å; Y21-F50 HydrophobicContact CD2-CE2 4.26Å; Y21-F50 HydrophobicContact CD2-CG 4.19Å; Y21-F50 HydrophobicContact CD2-CZ 4.29Å; Y21-F50 HydrophobicContact CG-CD1 4.36Å; Y21-F50 HydrophobicContact CG-CE1 4.19Å; Y21-F50 HydrophobicContact CG-CZ 4.45Å; I41-F50 HydrophobicContact CG2-CE1 4.18Å; I41-F50 HydrophobicContact CG2-CZ 3.89Å; P47-F50 HydrophobicContact CG-CB 3.92Å; P47-F50 WeakPolarHBondContact O-CB 3.42Å; P47-F50 PolarHBondContact O-N 3.05Å; E48-F50 VanDerWaalsContact C-N 3.34Å; E48-F50 PolarHBondContact O-N 3.16Å; F50-F54 HydrophobicContact CB-CD2 4.37Å; F50-F54 HydrophobicContact CD2-CB 4.06Å; F50-F54 HydrophobicContact CD2-CD2 4.46Å; F50-F54 PolarHBondContact O-N 3.28Å; F50-L55 HydrophobicContact CE1-CB 4.45Å; F50-L55 HydrophobicContact CE1-CD2 4.32Å; F50-L55 HydrophobicContact CE2-CB 4.42Å; F50-L55 HydrophobicContact CZ-CB 4.25Å; F50-L55 WeakPolarHBondContact O-CB 3.48Å; F50-L55 PolarHBondContact O-N 3.4Å
51I81.4Confident82.3Confident60 Ų6060.1 Ų60.131%0.30831%0.309SS..Iπ-helixtrans-67.2-43.3-176.4-59.7168.2000111.5K43 G46 P47 E48 P56K43-I51 WeakPolarHBondContact O-CD1 3.46Å; K43-I51 WeakPolarHBondContact O-CG1 3.41Å; G46-I51 WeakPolarHBondContact O-CD1 3.44Å; P47-I51 PolarHBondContact O-N 3.2Å; E48-I51 PolarHBondContact O-N 3Å; I51-P56 WeakPolarHBondContact O-CD 3.47Å; I51-P56 WeakPolarHBondContact O-CG 3.2Å
52Q81.6Confident82.2Confident124 Ų12460.9 Ų60.958%0.57931%0.313SS*.Iπ-helixtrans-90.1-24.5-172.4-65.3-176.56.100113.7E48E48-Q52 VanDerWaalsContact CG-CD 3.48Å; E48-Q52 HydrophobicContact CG-CG 4.08Å; E48-Q52 WeakPolarHBondContact O-CB 3.47Å; E48-Q52 WeakPolarHBondContact O-CG 3.42Å; E48-Q52 PolarHBondContact O-N 3.07Å; E48-Q52 PolarHBondContact OE1-NE2 2.85Å
53R80.7Confident82.3Confident129 Ų12966.1 Ų66.149%0.48733%0.328SS..Iπ-helixtrans-119.6-52.5-173.6-54.2178.984.6-167.89.6113.8E49 R57E49-R53 WeakPolarHBondContact O-CA 3.48Å; E49-R53 VanDerWaalsContact O-CB 3.28Å; E49-R53 WeakPolarHBondContact O-CB 3.47Å; E49-R53 PolarHBondContact O-N 2.82Å; E49-R53 IonicContact OE1-CZ 3.46Å; E49-R53 IonicContact OE1-NH1 2.68Å; E49-R53 PolarHBondContact OE1-NH1 2.74Å; R53-R57 WeakPolarHBondContact O-CB 3.17Å
54F81.6Confident82.8Confident28 Ų2868.2 Ų68.212%0.12335%0.345CS..Iπ-helixtrans-75.3-52-172.8-63.2-42.4000111.9E49 F50 R57 E58E49-F54 HydrophobicContact CG-CD2 4.31Å; E49-F54 HydrophobicContact CG-CE2 3.75Å; E49-F54 HydrophobicContact CG-CZ 4.05Å; E49-F54 PolarHBondContact O-N 2.77Å; F50-F54 HydrophobicContact CB-CD2 4.37Å; F50-F54 HydrophobicContact CD2-CB 4.06Å; F50-F54 HydrophobicContact CD2-CD2 4.46Å; F50-F54 PolarHBondContact O-N 3.28Å; F54-R57 WeakPolarHBondContact O-CB 3.38Å; F54-R57 PolarHBondContact O-N 3.3Å; F54-E58 PolarHBondContact O-N 3.25Å
55L84Confident83.9Confident4 Ų461.1 Ų61.12%0.02131%0.31CS..Hα-helixtrans-62.1-51.7-175.8178.961.1000112.9I41 K43 F50 R57 E58 L59 I84I41-L55 HydrophobicContact CD1-CD1 3.72Å; I41-L55 HydrophobicContact CG2-CD1 4.03Å; I41-L55 HydrophobicContact CG2-CD2 4.18Å; K43-L55 HydrophobicContact CG-CD2 3.86Å; F50-L55 HydrophobicContact CE1-CB 4.45Å; F50-L55 HydrophobicContact CE1-CD2 4.32Å; F50-L55 HydrophobicContact CE2-CB 4.42Å; F50-L55 HydrophobicContact CZ-CB 4.25Å; F50-L55 WeakPolarHBondContact O-CB 3.48Å; F50-L55 PolarHBondContact O-N 3.4Å; L55-R57 PolarHBondContact O-N 2.96Å; L55-R57 VanDerWaalsContact O-N 3.11Å; L55-E58 PolarHBondContact O-N 2.96Å; L55-E58 VanDerWaalsContact O-N 3.13Å; L55-L59 HydrophobicContact CD1-CD1 4.23Å; L55-L59 HydrophobicContact CD1-CD2 4.09Å; L55-L59 HydrophobicContact CD1-CG 4.03Å; L55-L59 HydrophobicContact CG-CD1 4.18Å; L55-L59 HydrophobicContact CG-CG 4.41Å; L55-L59 VanDerWaalsContact O-CG 3.23Å; L55-L59 WeakPolarHBondContact O-CG 3.44Å; L55-L59 PolarHBondContact O-N 3.27Å; L55-I84 HydrophobicContact CD1-CD1 4.38Å; L55-I84 HydrophobicContact CD2-CD1 4.06Å; L55-I84 HydrophobicContact CG-CD1 4.37Å
56P86.4Confident85.2Confident64 Ų6465.1 Ų65.142%0.41631%0.314SS..Hα-helixtrans-57.7-33.3179.3-25.235.8000112.8I51 Q60I51-P56 WeakPolarHBondContact O-CD 3.47Å; I51-P56 WeakPolarHBondContact O-CG 3.2Å; P56-Q60 WeakPolarHBondContact O-CB 3.23Å; P56-Q60 PolarHBondContact O-N 3.15Å
57R86.2Confident86.5Confident54 Ų5466.6 Ų66.620%0.20432%0.317CS..Hα-helixtrans-73.9-44.2177.9-169.7-167.7-63.6165.23.6112.3R53 F54 L55 L59 Q60 I61 A155 V157R53-R57 WeakPolarHBondContact O-CB 3.17Å; F54-R57 WeakPolarHBondContact O-CB 3.38Å; F54-R57 PolarHBondContact O-N 3.3Å; L55-R57 PolarHBondContact O-N 2.96Å; L55-R57 VanDerWaalsContact O-N 3.11Å; R57-L59 VanDerWaalsContact C-N 3.31Å; R57-L59 PolarHBondContact O-N 3.37Å; R57-Q60 PolarHBondContact O-N 2.82Å; R57-I61 HydrophobicContact CG-CD1 3.8Å; R57-I61 HydrophobicContact CG-CG1 4.4Å; R57-I61 WeakPolarHBondContact O-CB 3.36Å; R57-I61 VanDerWaalsContact O-CG1 3.31Å; R57-I61 WeakPolarHBondContact O-CG1 3.21Å; R57-I61 PolarHBondContact O-N 3.1Å; R57-A155 WeakPolarHBondContact CD-O 3.49Å; R57-A155 PolarHBondContact NH1-O 3.15Å; R57-V157 HydrophobicContact CG-CG2 4.37Å
58E88.3Confident87.3Confident6 Ų669.8 Ų69.83%0.02832%0.323CS..Hα-helixtrans-53.7-52.7172.7-179.6-178.1-173.100109.3K39 F54 L55 Q60 I61 V62K39-E58 IonicContact NZ-OE1 2.76Å; K39-E58 PolarHBondContact NZ-OE1 2.8Å; K39-E58 IonicContact NZ-OE2 2.75Å; F54-E58 PolarHBondContact O-N 3.25Å; L55-E58 PolarHBondContact O-N 2.96Å; L55-E58 VanDerWaalsContact O-N 3.13Å; E58-Q60 VanDerWaalsContact C-N 3.27Å; E58-Q60 PolarHBondContact O-N 2.88Å; E58-I61 PolarHBondContact O-N 2.9Å; E58-I61 VanDerWaalsContact O-N 3.09Å; E58-V62 HydrophobicContact CG-CG1 4.15Å; E58-V62 WeakPolarHBondContact O-CG1 3.44Å; E58-V62 WeakPolarHBondContact O-CG2 3.31Å; E58-V62 PolarHBondContact O-N 3.09Å
59L88.8Confident88.1Confident25 Ų2563.6 Ų63.613%0.13130%0.295CS..Hα-helixtrans-57.9-37.3179.3-60176.1000112.9L55 R57 R63 M76 I84 L86L55-L59 HydrophobicContact CD1-CD1 4.23Å; L55-L59 HydrophobicContact CD1-CD2 4.09Å; L55-L59 HydrophobicContact CD1-CG 4.03Å; L55-L59 HydrophobicContact CG-CD1 4.18Å; L55-L59 HydrophobicContact CG-CG 4.41Å; L55-L59 VanDerWaalsContact O-CG 3.23Å; L55-L59 WeakPolarHBondContact O-CG 3.44Å; L55-L59 PolarHBondContact O-N 3.27Å; R57-L59 VanDerWaalsContact C-N 3.31Å; R57-L59 PolarHBondContact O-N 3.37Å; L59-R63 WeakPolarHBondContact O-CD 3.42Å; L59-R63 VanDerWaalsContact O-CG 3.24Å; L59-R63 WeakPolarHBondContact O-CG 3.4Å; L59-M76 HydrophobicContact CB-CE 3.79Å; L59-M76 HydrophobicContact CB-SD 4.49Å; L59-M76 HydrophobicContact CD1-SD 4.29Å; L59-M76 HydrophobicContact CD2-CE 3.44Å; L59-M76 VanDerWaalsContact CD2-CE 3.44Å; L59-M76 HydrophobicContact CD2-SD 3.86Å; L59-M76 HydrophobicContact CG-CE 4.06Å; L59-M76 HydrophobicContact CG-SD 4.4Å; L59-I84 HydrophobicContact CD1-CD1 3.59Å; L59-I84 HydrophobicContact CD2-CD1 4.28Å; L59-I84 HydrophobicContact CD2-CG2 4.06Å; L59-L86 HydrophobicContact CD2-CD1 4.4Å; L59-L86 HydrophobicContact CD2-CD2 3.74Å
60Q90.5Very high89Confident119 Ų11959.9 Ų59.956%0.55628%0.277SS*.Hα-helixtrans-68.3-46175.4-177.6-175.6-1.800111.7P56 R57 E58P56-Q60 WeakPolarHBondContact O-CB 3.23Å; P56-Q60 PolarHBondContact O-N 3.15Å; R57-Q60 PolarHBondContact O-N 2.82Å; E58-Q60 VanDerWaalsContact C-N 3.27Å; E58-Q60 PolarHBondContact O-N 2.88Å
61I91.7Very high89.8Confident1 Ų159.3 Ų59.31%0.00528%0.275CS..Hα-helixtrans-67.6-50.6-177-71.5169000110.6R57 E58 R63 T64 L65 V130 F152 A155 V157R57-I61 HydrophobicContact CG-CD1 3.8Å; R57-I61 HydrophobicContact CG-CG1 4.4Å; R57-I61 WeakPolarHBondContact O-CB 3.36Å; R57-I61 VanDerWaalsContact O-CG1 3.31Å; R57-I61 WeakPolarHBondContact O-CG1 3.21Å; R57-I61 PolarHBondContact O-N 3.1Å; E58-I61 PolarHBondContact O-N 2.9Å; E58-I61 VanDerWaalsContact O-N 3.09Å; I61-R63 PolarHBondContact O-N 2.94Å; I61-R63 VanDerWaalsContact O-N 3.07Å; I61-T64 PolarHBondContact O-N 3.2Å; I61-T64 PolarHBondContact O-OG1 3.37Å; I61-T64 VanDerWaalsContact O-OG1 3.04Å; I61-L65 HydrophobicContact CG2-CD1 3.52Å; I61-L65 HydrophobicContact CG2-CG 3.99Å; I61-L65 WeakPolarHBondContact O-CG 3.15Å; I61-L65 PolarHBondContact O-N 2.86Å; I61-V130 HydrophobicContact CD1-CG1 4.07Å; I61-V130 HydrophobicContact CG1-CG1 4.43Å; I61-V130 HydrophobicContact CG1-CG2 4.3Å; I61-V130 HydrophobicContact CG2-CG1 3.82Å; I61-V130 HydrophobicContact CG2-CG2 4.31Å; I61-F152 HydrophobicContact CG2-CB 4.35Å; I61-F152 HydrophobicContact CG2-CD1 3.88Å; I61-F152 HydrophobicContact CG2-CG 4.31Å; I61-A155 HydrophobicContact CD1-CB 3.61Å; I61-V157 HydrophobicContact CD1-CG2 3.91Å; I61-V157 HydrophobicContact CG1-CG2 3.72Å
62V89.9Confident90.4Very high16 Ų1660.3 Ų60.310%0.09728%0.279CS..Hα-helixtrans-65.9-17.6-174.1-63.30000113.3E58 V73 F152E58-V62 HydrophobicContact CG-CG1 4.15Å; E58-V62 WeakPolarHBondContact O-CG1 3.44Å; E58-V62 WeakPolarHBondContact O-CG2 3.31Å; E58-V62 PolarHBondContact O-N 3.09Å; V62-V73 HydrophobicContact CB-CG2 3.77Å; V62-V73 HydrophobicContact CG2-CG2 4.07Å; V62-F152 HydrophobicContact CG1-CB 3.88Å; V62-F152 HydrophobicContact CG1-CD2 4.29Å; V62-F152 HydrophobicContact CG1-CG 4.31Å
63R87.8Confident91.1Very high169 Ų16955.8 Ų55.864%0.63826%0.259SS*.THydrogen-bonded Turntrans-80.8-19.9174.4-79.4177.5166.4172.5-1.6113.7L59 I61 M76L59-R63 WeakPolarHBondContact O-CD 3.42Å; L59-R63 VanDerWaalsContact O-CG 3.24Å; L59-R63 WeakPolarHBondContact O-CG 3.4Å; I61-R63 PolarHBondContact O-N 2.94Å; I61-R63 VanDerWaalsContact O-N 3.07Å; R63-M76 HydrophobicContact CG-CE 4.23Å; R63-M76 VanDerWaalsContact NE-CE 3.3Å; R63-M76 PolarHBondContact NH2-SD 2.85Å
64T88.6Confident91.7Very high92 Ų9251.8 Ų51.856%0.56425%0.245SC*.THydrogen-bonded Turntrans-108.4-17.9-17460.30000113.5I61I61-T64 PolarHBondContact O-N 3.2Å; I61-T64 PolarHBondContact O-OG1 3.37Å; I61-T64 VanDerWaalsContact O-OG1 3.04Å
65L93.7Very high92.2Very high12 Ų1253.2 Ų53.26%0.06325%0.252CS..  trans-82.3124.2177.9-61.9-178.4000110.9I61 I70 Y124 C128 V130 F152I61-L65 HydrophobicContact CG2-CD1 3.52Å; I61-L65 HydrophobicContact CG2-CG 3.99Å; I61-L65 WeakPolarHBondContact O-CG 3.15Å; I61-L65 PolarHBondContact O-N 2.86Å; L65-I70 HydrophobicContact CD1-CD1 4.5Å; L65-Y124 HydrophobicContact CB-CE1 4.23Å; L65-Y124 HydrophobicContact CD2-CD1 4.43Å; L65-Y124 HydrophobicContact CD2-CE1 3.76Å; L65-C128 HydrophobicContact CD2-CB 4.15Å; L65-V130 HydrophobicContact CD2-CG2 4.4Å; L65-F152 HydrophobicContact CD1-CD1 3.81Å; L65-F152 HydrophobicContact CD1-CE1 3.31Å; L65-F152 HydrophobicContact CD1-CE2 4.38Å; L65-F152 HydrophobicContact CD1-CZ 3.65Å
66E95.1Very high92.7Very high142 Ų14255 Ų5566%0.66426%0.26SS*.  trans-136103.7174.8-173.3173.3-170.100109.4Y124E66-Y124 PolarHBondContact N-OH 2.9Å; E66-Y124 VanDerWaalsContact O-CZ 3.29Å; E66-Y124 PolarHBondContact O-OH 3.46Å
67H97.7Very high93Very high47 Ų4752.7 Ų52.722%0.21825%0.245CC..  trans-152.6142.3-179.6-173.6-98000110.5N69 I70 Y124H67-N69 PolarHBondContact CE1-OD1 2.8Å; H67-N69 PolarHBondContact ND1-N 3.09Å; H67-N69 VanDerWaalsContact ND1-N 3.16Å; H67-N69 PolarHBondContact O-N 3.25Å; H67-N69 VanDerWaalsContact O-N 3.07Å; H67-I70 HydrophobicContact CB-CB 4.27Å; H67-I70 HydrophobicContact CB-CD1 3.81Å; H67-I70 HydrophobicContact CB-CG1 3.98Å; H67-I70 PolarHBondContact O-N 2.78Å; H67-I70 VanDerWaalsContact O-O 3.14Å; H67-Y124 HydrophobicContact CB-CD1 3.76Å; H67-Y124 HydrophobicContact CB-CE1 3.94Å; H67-Y124 HydrophobicContact CB-CG 4.1Å; H67-Y124 AromaticContact CD2-CG 3.92Å
68K97.3Very high93.4Very high132 Ų13255.7 Ų55.757%0.57426%0.261SS*.THydrogen-bonded Turntrans-56.3-29.6-176.869.7-175.3-178.9-178.20114E120 K148K68-E120 WeakPolarHBondContact CE-OE2 3.47Å; K68-E120 IonicContact NZ-OE2 3.96Å; K68-E120 PolarHBondContact NZ-OE2 2.76Å; K68-K148 PolarHBondContact O-NZ 3.06Å
69N98.3Very high93.5Very high2 Ų255.8 Ų55.81%0.01126%0.262CS..THydrogen-bonded Turntrans-102.121.5-179.6-59.5116000113.7H67 Q117 A121 L147 K148 L149H67-N69 PolarHBondContact CE1-OD1 2.8Å; H67-N69 PolarHBondContact ND1-N 3.09Å; H67-N69 VanDerWaalsContact ND1-N 3.16Å; H67-N69 PolarHBondContact O-N 3.25Å; H67-N69 VanDerWaalsContact O-N 3.07Å; N69-Q117 PolarHBondContact ND2-OE1 2.99Å; N69-A121 HydrophobicContact CB-CB 3.91Å; N69-L147 VanDerWaalsContact CA-O 3.31Å; N69-L147 WeakPolarHBondContact CA-O 3.42Å; N69-L147 VanDerWaalsContact CB-O 3.3Å; N69-L147 WeakPolarHBondContact CB-O 3.24Å; N69-L147 PolarHBondContact ND2-O 3.46Å; N69-K148 WeakPolarHBondContact O-CA 3.3Å; N69-L149 PolarHBondContact O-N 3.35Å
70I98.1Very high93.5Very high6 Ų660 Ų603%0.03130%0.301CS..BIsolated β-bridgetrans-126.4138.5172.1-61.7177.4000107.2L65 H67 Q72 A121 Y124 C125 F152L65-I70 HydrophobicContact CD1-CD1 4.5Å; H67-I70 HydrophobicContact CB-CB 4.27Å; H67-I70 HydrophobicContact CB-CD1 3.81Å; H67-I70 HydrophobicContact CB-CG1 3.98Å; H67-I70 PolarHBondContact O-N 2.78Å; H67-I70 VanDerWaalsContact O-O 3.14Å; I70-Q72 PolarHBondContact O-N 3.05Å; I70-A121 HydrophobicContact CG1-CB 4.06Å; I70-Y124 HydrophobicContact CD1-CD1 3.8Å; I70-Y124 HydrophobicContact CD1-CE1 4.19Å; I70-C125 WeakPolarHBondContact CD1-SG 3.29Å; I70-F152 HydrophobicContact CD1-CZ 4.32Å; I70-F152 HydrophobicContact CG2-CE2 3.7Å; I70-F152 HydrophobicContact CG2-CZ 3.82Å
71I97.3Very high93.3Very high13 Ų1358.3 Ų58.37%0.06730%0.296CS..PPolyproline II helixtrans-61.6119.5175-70-67.2000109.2M88 E89 A91 L141 K148 L149I71-M88 HydrophobicContact CG2-CB 3.85Å; I71-M88 HydrophobicContact CG2-SD 4.49Å; I71-E89 HydrophobicContact CD1-CB 4.34Å; I71-E89 HydrophobicContact CD1-CG 4.41Å; I71-E89 HydrophobicContact CG2-CB 4.23Å; I71-A91 HydrophobicContact CD1-CB 4Å; I71-L141 HydrophobicContact CD1-CD1 3.97Å; I71-L141 HydrophobicContact CG1-CD1 4.02Å; I71-K148 HydrophobicContact CD1-CB 3.78Å; I71-K148 HydrophobicContact CD1-CD 3.83Å; I71-K148 HydrophobicContact CD1-CG 4.45Å; I71-K148 HydrophobicContact CG1-CB 4.06Å; I71-L149 PolarHBondContact N-O 3.19Å
72Q95.3Very high93Very high81 Ų8159.2 Ų59.238%0.37931%0.305SS..PPolyproline II helixtrans-76.4132.9179.3-172171.814.500110.9I70 Y74 M88 E89I70-Q72 PolarHBondContact O-N 3.05Å; Q72-Y74 HydrophobicContact CB-CD1 4.47Å; Q72-Y74 HydrophobicContact CB-CE1 3.94Å; Q72-Y74 HydrophobicContact CG-CD1 3.96Å; Q72-Y74 HydrophobicContact CG-CE1 3.8Å; Q72-M88 CarbonylContact O-C 3.57Å; Q72-M88 VanDerWaalsContact O-CA 3.27Å; Q72-M88 WeakPolarHBondContact O-CA 3.43Å; Q72-E89 HydrophobicContact CB-CB 4.37Å; Q72-E89 PolarHBondContact O-N 3.36Å
73V94.9Very high93Very high29 Ų2960.8 Ų60.818%0.17631%0.311CS..EExtended strand (participates in β ladder)trans-91.1117.7167.4-178.20000108.6V62 L86 V87 M88V62-V73 HydrophobicContact CB-CG2 3.77Å; V62-V73 HydrophobicContact CG2-CG2 4.07Å; V73-L86 HydrophobicContact CG1-CB 4.49Å; V73-V87 CarbonylContact C-O 3.39Å; V73-M88 HydrophobicContact CG2-CG 4.09Å; V73-M88 HydrophobicContact CG2-SD 4.4Å
74Y93.9Very high93.2Very high46 Ų4652.9 Ų52.918%0.1828%0.281CS..EExtended strand (participates in β ladder)trans-84-39.7-179.6-57.6-44.9000112.4R34 V36 Q72 V87 E89R34-Y74 VanDerWaalsContact CZ-OH 3.3Å; R34-Y74 VanDerWaalsContact NH2-CE1 3.25Å; R34-Y74 PolarHBondContact NH2-OH 3.04Å; R34-Y74 VanDerWaalsContact NH2-OH 3.1Å; V36-Y74 HydrophobicContact CG1-CD2 4.2Å; V36-Y74 HydrophobicContact CG1-CE2 4.09Å; Q72-Y74 HydrophobicContact CB-CD1 4.47Å; Q72-Y74 HydrophobicContact CB-CE1 3.94Å; Q72-Y74 HydrophobicContact CG-CD1 3.96Å; Q72-Y74 HydrophobicContact CG-CE1 3.8Å; Y74-V87 HydrophobicContact CD2-CG1 4.38Å; Y74-V87 PolarHBondContact N-O 3.19Å; Y74-E89 HydrophobicContact CE2-CB 4.28Å; Y74-E89 WeakPolarHBondContact OH-CA 3.41Å; Y74-E89 WeakPolarHBondContact OH-CB 3.39Å
75E92.3Very high93.5Very high57 Ų5748.5 Ų48.527%0.26625%0.254SS..EExtended strand (participates in β ladder)trans-156.1153.4-171.6-172.9162.3-145.900110.8Y10 K31 L77 V87Y10-E75 PolarHBondContact OH-OE2 3.33Å; K31-E75 IonicContact NZ-OE1 3.63Å; K31-E75 IonicContact NZ-OE2 3.4Å; K31-E75 PolarHBondContact NZ-OE2 3.21Å; E75-L77 HydrophobicContact CG-CD2 3.93Å; E75-L77 HydrophobicContact CG-CG 4.28Å; E75-V87 HydrophobicContact CB-CB 4.07Å; E75-V87 HydrophobicContact CB-CG2 4.23Å; E75-V87 PolarHBondContact N-O 2.87Å; E75-V87 PolarHBondContact O-N 2.97Å
76M93.8Very high93.6Very high41 Ų4148 Ų4820%0.20225%0.252CS..EExtended strand (participates in β ladder)trans-127.4123.6174-179.9-176.4-52.400108.3L59 R63 I84 C85 L86L59-M76 HydrophobicContact CB-CE 3.79Å; L59-M76 HydrophobicContact CB-SD 4.49Å; L59-M76 HydrophobicContact CD1-SD 4.29Å; L59-M76 HydrophobicContact CD2-CE 3.44Å; L59-M76 VanDerWaalsContact CD2-CE 3.44Å; L59-M76 HydrophobicContact CD2-SD 3.86Å; L59-M76 HydrophobicContact CG-CE 4.06Å; L59-M76 HydrophobicContact CG-SD 4.4Å; R63-M76 HydrophobicContact CG-CE 4.23Å; R63-M76 VanDerWaalsContact NE-CE 3.3Å; R63-M76 PolarHBondContact NH2-SD 2.85Å; M76-I84 HydrophobicContact CG-CG2 3.91Å; M76-I84 HydrophobicContact SD-CG2 4.37Å; M76-C85 WeakPolarHBondContact CA-O 3.49Å; M76-L86 HydrophobicContact CB-CD2 4.16Å; M76-L86 HydrophobicContact CE-CD2 3.66Å; M76-L86 HydrophobicContact CG-CD2 3.8Å; M76-L86 HydrophobicContact SD-CD2 4.31Å
77L94.3Very high93.7Very high17 Ų1741.3 Ų41.39%0.08922%0.22CC..EExtended strand (participates in β ladder)trans-115145.9177.7-54.6173.7000109F4 L5 N8 Y10 E75 I84 C85 V87F4-L77 HydrophobicContact CE1-CB 4.07Å; F4-L77 HydrophobicContact CZ-CB 3.99Å; L5-L77 HydrophobicContact CD2-CD1 4.09Å; N8-L77 HydrophobicContact CB-CD1 3.88Å; Y10-L77 HydrophobicContact CD2-CD1 4.21Å; Y10-L77 HydrophobicContact CE2-CD1 3.93Å; E75-L77 HydrophobicContact CG-CD2 3.93Å; E75-L77 HydrophobicContact CG-CG 4.28Å; L77-I84 CarbonylContact O-C 3.56Å; L77-I84 WeakPolarHBondContact O-CA 3.49Å; L77-C85 HydrophobicContact CB-CB 4.25Å; L77-C85 PolarHBondContact N-O 3.35Å; L77-C85 PolarHBondContact O-N 2.92Å; L77-V87 HydrophobicContact CD1-CG2 4.45Å
78E93.1Very high93.6Very high117 Ų11739.7 Ų39.755%0.54721%0.213SC..EExtended strand (participates in β ladder)trans-119.9125.2171.4-176.8162-162.700108.5F4 K43 K83F4-E78 WeakPolarHBondContact CZ-O 3.43Å; K43-E78 IonicContact NZ-OE1 2.88Å; K43-E78 PolarHBondContact NZ-OE1 3.49Å; K43-E78 IonicContact NZ-OE2 2.71Å; E78-K83 WeakPolarHBondContact CA-O 3.41Å
79S91.2Very high93.6Very high7 Ų734.6 Ų34.65%0.04919%0.191CC..  trans-82.2162.1177.6590000111.1D81 G82 K83S79-D81 WeakPolarHBondContact CB-OD1 3.3Å; S79-D81 PolarHBondContact O-N 2.48Å; S79-D81 PolarHBondContact OG-OD1 3.18Å; S79-G82 PolarHBondContact O-N 2.88Å; S79-K83 PolarHBondContact N-O 2.65Å; S79-K83 WeakPolarHBondContact OG-CB 3.31Å; S79-K83 PolarHBondContact OG-N 3.2Å; S79-K83 PolarHBondContact OG-O 3.5Å
80A88.1Confident93.5Very high115 Ų11535.3 Ų35.395%0.9520%0.195SC*.THydrogen-bonded Turntrans-61.3-25.4-179.800000113.8G82A80-G82 VanDerWaalsContact C-N 3.26Å; A80-G82 PolarHBondContact O-N 2.9Å
81D86.3Confident93.4Very high82 Ų8235.7 Ų35.744%0.43920%0.199SC..THydrogen-bonded Turntrans-859173.365.2-30.3000113.4S79 K83S79-D81 WeakPolarHBondContact CB-OD1 3.3Å; S79-D81 PolarHBondContact O-N 2.48Å; S79-D81 PolarHBondContact OG-OD1 3.18Å; D81-K83 PolarHBondContact O-N 3.06Å; D81-K83 IonicContact OD2-NZ 2.77Å; D81-K83 PolarHBondContact OD2-NZ 3.39Å
82G85.7Confident93.2Very high20 Ų2041.7 Ų41.721%0.20623%0.227CC..SBendtrans82.17.4172.400000115.4K43 S79 A80K43-G82 WeakPolarHBondContact CD-O 3.44Å; K43-G82 WeakPolarHBondContact CE-O 3.46Å; K43-G82 WeakPolarHBondContact CG-O 3.38Å; S79-G82 PolarHBondContact O-N 2.88Å; A80-G82 VanDerWaalsContact C-N 3.26Å; A80-G82 PolarHBondContact O-N 2.9Å
83K90.8Very high93.1Very high49 Ų4939.9 Ų39.921%0.21323%0.23CC..  trans-76.4140.1174.6-63-178.6176.1115.50110.2M1 V40 I41 D42 E78 S79 D81M1-K83 HydrophobicContact CE-CB 3.57Å; M1-K83 HydrophobicContact CE-CD 3.49Å; M1-K83 VanDerWaalsContact CE-CD 3.49Å; M1-K83 HydrophobicContact CE-CG 4.11Å; V40-K83 HydrophobicContact CG1-CB 4.5Å; V40-K83 HydrophobicContact CG1-CD 4.33Å; I41-K83 WeakPolarHBondContact O-CA 3.42Å; D42-K83 WeakPolarHBondContact OD2-CE 3.45Å; D42-K83 IonicContact OD2-NZ 3.98Å; E78-K83 WeakPolarHBondContact CA-O 3.41Å; S79-K83 PolarHBondContact N-O 2.65Å; S79-K83 WeakPolarHBondContact OG-CB 3.31Å; S79-K83 PolarHBondContact OG-N 3.2Å; S79-K83 PolarHBondContact OG-O 3.5Å; D81-K83 PolarHBondContact O-N 3.06Å; D81-K83 IonicContact OD2-NZ 2.77Å; D81-K83 PolarHBondContact OD2-NZ 3.39Å
84I92.4Very high93.1Very high4 Ų440.1 Ų40.12%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-96.4134.6174.3-69.4161000109.2V40 I41 K43 L55 L59 M76 L77 L86V40-I84 CarbonylContact C-O 3.52Å; V40-I84 WeakPolarHBondContact CA-O 3.48Å; I41-I84 HydrophobicContact CB-CB 4.44Å; I41-I84 PolarHBondContact N-O 3.26Å; I41-I84 PolarHBondContact O-N 3.43Å; K43-I84 HydrophobicContact CD-CD1 4.35Å; K43-I84 VanDerWaalsContact CE-CG1 3.41Å; K43-I84 HydrophobicContact CG-CD1 4.5Å; L55-I84 HydrophobicContact CD1-CD1 4.38Å; L55-I84 HydrophobicContact CD2-CD1 4.06Å; L55-I84 HydrophobicContact CG-CD1 4.37Å; L59-I84 HydrophobicContact CD1-CD1 3.59Å; L59-I84 HydrophobicContact CD2-CD1 4.28Å; L59-I84 HydrophobicContact CD2-CG2 4.06Å; M76-I84 HydrophobicContact CG-CG2 3.91Å; M76-I84 HydrophobicContact SD-CG2 4.37Å; L77-I84 CarbonylContact O-C 3.56Å; L77-I84 WeakPolarHBondContact O-CA 3.49Å; I84-L86 HydrophobicContact CG2-CD2 3.82Å; I84-L86 HydrophobicContact CG2-CG 4.27Å
85C94.6Very high93.2Very high0 Ų039.3 Ų39.30%024%0.237CC..EExtended strand (participates in β ladder)trans-114.6114.9171-57.50000109.1M1 L5 I38 K39 M76 L77M1-C85 VanDerWaalsContact SD-SG 3.61Å; L5-C85 HydrophobicContact CD2-CB 4.11Å; I38-C85 HydrophobicContact CG2-CB 3.92Å; K39-C85 WeakPolarHBondContact O-CA 3.18Å; M76-C85 WeakPolarHBondContact CA-O 3.49Å; L77-C85 HydrophobicContact CB-CB 4.25Å; L77-C85 PolarHBondContact N-O 3.35Å; L77-C85 PolarHBondContact O-N 2.92Å
86L95.3Very high93.4Very high2 Ų236.6 Ų36.61%0.0122%0.224CC..EExtended strand (participates in β ladder)trans-91115.3169.6-54.1-178.7000108.4I38 K39 I41 L59 V73 M76 I84 M88I38-L86 CarbonylContact C-O 3.58Å; I38-L86 VanDerWaalsContact CA-O 3.27Å; I38-L86 WeakPolarHBondContact CA-O 3.37Å; K39-L86 HydrophobicContact CB-CB 4.31Å; K39-L86 HydrophobicContact CD-CD1 4.49Å; K39-L86 PolarHBondContact N-O 2.86Å; K39-L86 PolarHBondContact O-N 3.07Å; I41-L86 HydrophobicContact CD1-CD1 4.06Å; I41-L86 HydrophobicContact CD1-CG 4.37Å; L59-L86 HydrophobicContact CD2-CD1 4.4Å; L59-L86 HydrophobicContact CD2-CD2 3.74Å; V73-L86 HydrophobicContact CG1-CB 4.49Å; M76-L86 HydrophobicContact CB-CD2 4.16Å; M76-L86 HydrophobicContact CE-CD2 3.66Å; M76-L86 HydrophobicContact CG-CD2 3.8Å; M76-L86 HydrophobicContact SD-CD2 4.31Å; I84-L86 HydrophobicContact CG2-CD2 3.82Å; I84-L86 HydrophobicContact CG2-CG 4.27Å; L86-M88 HydrophobicContact CB-CG 3.99Å; L86-M88 HydrophobicContact CB-SD 4.08Å
87V96.4Very high93.6Very high0 Ų038.6 Ų38.60%023%0.232CC..EExtended strand (participates in β ladder)trans-87.8120.5172.6-176.40000107.7Y10 V36 I38 V73 Y74 E75 L77Y10-V87 HydrophobicContact CD1-CG1 4.3Å; Y10-V87 HydrophobicContact CE1-CB 4.37Å; Y10-V87 HydrophobicContact CE1-CG1 3.44Å; Y10-V87 VanDerWaalsContact CE1-CG1 3.44Å; Y10-V87 HydrophobicContact CE1-CG2 4.01Å; Y10-V87 HydrophobicContact CE2-CG2 4.05Å; V36-V87 HydrophobicContact CB-CG1 4.21Å; V36-V87 HydrophobicContact CG1-CG1 4.4Å; V36-V87 HydrophobicContact CG2-CG1 4.07Å; I38-V87 HydrophobicContact CG1-CG2 4.46Å; V73-V87 CarbonylContact C-O 3.39Å; Y74-V87 HydrophobicContact CD2-CG1 4.38Å; Y74-V87 PolarHBondContact N-O 3.19Å; E75-V87 HydrophobicContact CB-CB 4.07Å; E75-V87 HydrophobicContact CB-CG2 4.23Å; E75-V87 PolarHBondContact N-O 2.87Å; E75-V87 PolarHBondContact O-N 2.97Å; L77-V87 HydrophobicContact CD1-CG2 4.45Å
88M96.8Very high93.7Very high14 Ų1441.3 Ų41.37%0.06925%0.247CC..EExtended strand (participates in β ladder)trans-132.7160.6-166.4-48.1-176.3-60.600111.7V24 V36 A37 K39 I71 Q72 V73 L86V24-M88 HydrophobicContact CG1-CE 4.4Å; V36-M88 WeakPolarHBondContact CA-O 3.39Å; V36-M88 WeakPolarHBondContact CB-O 2.94Å; A37-M88 HydrophobicContact CB-CB 4.46Å; A37-M88 HydrophobicContact CB-CE 4.18Å; A37-M88 PolarHBondContact N-O 2.75Å; A37-M88 PolarHBondContact O-N 2.84Å; K39-M88 HydrophobicContact CB-CE 3.61Å; K39-M88 HydrophobicContact CB-SD 4.19Å; I71-M88 HydrophobicContact CG2-CB 3.85Å; I71-M88 HydrophobicContact CG2-SD 4.49Å; Q72-M88 CarbonylContact O-C 3.57Å; Q72-M88 VanDerWaalsContact O-CA 3.27Å; Q72-M88 WeakPolarHBondContact O-CA 3.43Å; V73-M88 HydrophobicContact CG2-CG 4.09Å; V73-M88 HydrophobicContact CG2-SD 4.4Å; L86-M88 HydrophobicContact CB-CG 3.99Å; L86-M88 HydrophobicContact CB-SD 4.08Å
89E96.2Very high93.8Very high25 Ų2537 Ų3712%0.11723%0.229CC..EExtended strand (participates in β ladder)trans-53137.5164.7-177.2174.6-161.100111I71 Q72 Y74 Q143 K148I71-E89 HydrophobicContact CD1-CB 4.34Å; I71-E89 HydrophobicContact CD1-CG 4.41Å; I71-E89 HydrophobicContact CG2-CB 4.23Å; Q72-E89 HydrophobicContact CB-CB 4.37Å; Q72-E89 PolarHBondContact O-N 3.36Å; Y74-E89 HydrophobicContact CE2-CB 4.28Å; Y74-E89 WeakPolarHBondContact OH-CA 3.41Å; Y74-E89 WeakPolarHBondContact OH-CB 3.39Å; E89-Q143 PolarHBondContact OE1-NE2 2.74Å; E89-Q143 PolarHBondContact OE1-OE1 3.38Å; E89-K148 WeakPolarHBondContact OE1-CE 3.48Å; E89-K148 IonicContact OE1-NZ 3.8Å; E89-K148 PolarHBondContact OE1-NZ 3.37Å; E89-K148 WeakPolarHBondContact OE2-CE 3.41Å; E89-K148 IonicContact OE2-NZ 3.52Å; E89-K148 PolarHBondContact OE2-NZ 3.14Å
90L96.8Very high94.1Very high17 Ų1737 Ų379%0.08923%0.229CC..  trans-96.5120.2171.6-17767000110I16 E26 K35 A37 E92 Q143I16-L90 HydrophobicContact CD1-CD1 3.54Å; E26-L90 HydrophobicContact CG-CD2 4.02Å; K35-L90 HydrophobicContact CB-CD2 3.61Å; K35-L90 HydrophobicContact CD-CD2 4.19Å; A37-L90 HydrophobicContact CB-CD1 4Å; L90-E92 HydrophobicContact CD2-CG 4.03Å; L90-E92 HydrophobicContact CG-CG 4.1Å; L90-Q143 PolarHBondContact O-NE2 3.03Å
91A95.6Very high94.5Very high14 Ų1437.1 Ų37.112%0.11621%0.213CC..  trans-92.6112.5165.800000109.1I71 L141 Q143I71-A91 HydrophobicContact CD1-CB 4Å; A91-L141 HydrophobicContact CB-CB 3.61Å; A91-L141 HydrophobicContact CB-CD1 3.93Å; A91-L141 HydrophobicContact CB-CG 4.44Å; A91-Q143 HydrophobicContact CB-CB 4.36Å
92E92.8Very high94.9Very high138 Ų13839.6 Ų39.665%0.64523%0.226SC*.THydrogen-bonded Turntrans-84.9-11.4-170.5-62.2-175.8140.500114L90 G94L90-E92 HydrophobicContact CD2-CG 4.03Å; L90-E92 HydrophobicContact CG-CG 4.1Å; E92-G94 VanDerWaalsContact C-N 3.27Å; E92-G94 PolarHBondContact O-N 3.13Å
93G93.7Very high95.4Very high44 Ų4441.6 Ų41.645%0.45425%0.247SC..THydrogen-bonded Turntrans-84.49.2-175.200000115.2L142G93-L142 WeakPolarHBondContact CA-O 3.15Å; G93-L142 PolarHBondContact N-O 3.47Å
94G94.7Very high95.6Very high33 Ų3340.3 Ų40.334%0.3425%0.248SC..  trans70.7-157-172.800000112.1E92 L141 L142E92-G94 VanDerWaalsContact C-N 3.27Å; E92-G94 PolarHBondContact O-N 3.13Å; G94-L141 CarbonylContact O-C 3.59Å; G94-L141 WeakPolarHBondContact O-CA 3.43Å; G94-L142 PolarHBondContact O-N 2.83Å
95D96.4Very high95.8Very high29 Ų2943.1 Ų43.116%0.15527%0.266CS..BIsolated β-bridgetrans-112169.7177.163.252.2000112.4F97 D98 C99 A140 L141D95-F97 PolarHBondContact O-N 3.25Å; D95-F97 WeakPolarHBondContact OD1-CA 3.42Å; D95-F97 VanDerWaalsContact OD1-CB 3.22Å; D95-F97 WeakPolarHBondContact OD1-CB 3.39Å; D95-F97 PolarHBondContact OD1-N 3.29Å; D95-D98 PolarHBondContact OD1-N 3.02Å; D95-C99 WeakPolarHBondContact O-CB 3.44Å; D95-C99 PolarHBondContact O-N 3.34Å; D95-C99 VanDerWaalsContact O-N 3.09Å; D95-A140 WeakPolarHBondContact CA-O 3.39Å; D95-L141 HydrophobicContact CB-CD2 3.77Å
96V97.7Very high95.9Very high0 Ų043.7 Ų43.70%027%0.269CS..Hα-helixtrans-64.2-30.5178.7167.50000111.3C99 V100 C137 A140 L142 L147 M203V96-C99 PolarHBondContact O-N 2.94Å; V96-V100 HydrophobicContact CG1-CG2 4.29Å; V96-V100 VanDerWaalsContact O-CG2 3.32Å; V96-V100 WeakPolarHBondContact O-CG2 3.35Å; V96-V100 PolarHBondContact O-N 2.77Å; V96-C137 HydrophobicContact CB-CB 4.16Å; V96-C137 HydrophobicContact CG1-CB 4.05Å; V96-C137 PolarHBondContact N-O 3.13Å; V96-A140 HydrophobicContact CB-CB 4.27Å; V96-A140 HydrophobicContact CG2-CB 3.87Å; V96-A140 WeakPolarHBondContact CG2-O 3.37Å; V96-A140 PolarHBondContact N-O 3.34Å; V96-L142 HydrophobicContact CG2-CD2 3.98Å; V96-L142 HydrophobicContact CG2-CG 4.29Å; V96-L147 HydrophobicContact CG2-CD1 4.49Å; V96-M203 HydrophobicContact CG1-CG 3.56Å; V96-M203 HydrophobicContact CG1-SD 4.13Å
97F96.5Very high96Very high84 Ų8447.4 Ų47.437%0.36829%0.294SS..Hα-helixtrans-65-54.2-179.5-178.4-95.2000110.3D95 C99 V100 L101 C137 E138D95-F97 PolarHBondContact O-N 3.25Å; D95-F97 WeakPolarHBondContact OD1-CA 3.42Å; D95-F97 VanDerWaalsContact OD1-CB 3.22Å; D95-F97 WeakPolarHBondContact OD1-CB 3.39Å; D95-F97 PolarHBondContact OD1-N 3.29Å; F97-C99 VanDerWaalsContact C-N 3.28Å; F97-C99 PolarHBondContact O-N 2.8Å; F97-V100 PolarHBondContact O-N 2.89Å; F97-V100 VanDerWaalsContact O-N 3.17Å; F97-L101 HydrophobicContact CE1-CD2 3.98Å; F97-L101 VanDerWaalsContact O-CB 3.28Å; F97-L101 WeakPolarHBondContact O-CB 3.46Å; F97-L101 PolarHBondContact O-N 3.42Å; F97-C137 HydrophobicContact CB-CB 3.66Å; F97-C137 HydrophobicContact CD2-CB 4.39Å; F97-E138 HydrophobicContact CB-CG 3.94Å; F97-E138 HydrophobicContact CG-CG 4.18Å
98D95.9Very high96Very high74 Ų7449.4 Ų49.440%0.39630%0.303SS..Hα-helixtrans-60.7-37.8176.2-82.3-12.4000111.8D95 V100 N102D95-D98 PolarHBondContact OD1-N 3.02Å; D98-V100 VanDerWaalsContact C-N 3.33Å; D98-V100 PolarHBondContact O-N 3.22Å; D98-N102 WeakPolarHBondContact O-CB 3.39Å; D98-N102 PolarHBondContact O-N 3.13Å; D98-N102 PolarHBondContact O-ND2 3.15Å
99C96.6Very high96Very high27 Ų2753 Ų5318%0.18233%0.33CS..Hα-helixtrans-59.8-43.4176.3-176.70000112D95 V96 F97 G103 L142D95-C99 WeakPolarHBondContact O-CB 3.44Å; D95-C99 PolarHBondContact O-N 3.34Å; D95-C99 VanDerWaalsContact O-N 3.09Å; V96-C99 PolarHBondContact O-N 2.94Å; F97-C99 VanDerWaalsContact C-N 3.28Å; F97-C99 PolarHBondContact O-N 2.8Å; C99-G103 WeakPolarHBondContact O-CA 3.33Å; C99-G103 PolarHBondContact O-N 2.8Å; C99-L142 HydrophobicContact CB-CD1 3.81Å
100V97.1Very high96Very high7 Ų756.8 Ų56.84%0.04234%0.343CS..Hα-helixtrans-78.6-39.4-179.6172.30000111.3V96 F97 D98 N102 G103 G104 L106 V202 A206V96-V100 HydrophobicContact CG1-CG2 4.29Å; V96-V100 VanDerWaalsContact O-CG2 3.32Å; V96-V100 WeakPolarHBondContact O-CG2 3.35Å; V96-V100 PolarHBondContact O-N 2.77Å; F97-V100 PolarHBondContact O-N 2.89Å; F97-V100 VanDerWaalsContact O-N 3.17Å; D98-V100 VanDerWaalsContact C-N 3.33Å; D98-V100 PolarHBondContact O-N 3.22Å; V100-N102 VanDerWaalsContact C-N 3.3Å; V100-N102 PolarHBondContact O-N 3.49Å; V100-G103 PolarHBondContact O-N 2.67Å; V100-G104 VanDerWaalsContact O-CA 3.24Å; V100-G104 WeakPolarHBondContact O-CA 3.14Å; V100-G104 PolarHBondContact O-N 3.08Å; V100-L106 HydrophobicContact CG2-CD1 4.49Å; V100-L106 HydrophobicContact CG2-CG 4.18Å; V100-V202 HydrophobicContact CG1-CG1 4.26Å; V100-A206 VanDerWaalsContact CG1-CA 3.48Å; V100-A206 HydrophobicContact CG1-CB 3.49Å; V100-A206 VanDerWaalsContact CG1-CB 3.49Å
101L96Very high96Very high116 Ų11656 Ų5661%0.60734%0.338SS*.Hα-helixtrans-58.8-42.4177.9-178.465.3000111.6F97F97-L101 HydrophobicContact CE1-CD2 3.98Å; F97-L101 VanDerWaalsContact O-CB 3.28Å; F97-L101 WeakPolarHBondContact O-CB 3.46Å; F97-L101 PolarHBondContact O-N 3.42Å
102N95.6Very high96.2Very high134 Ų13457 Ų5772%0.71734%0.34SS*.Hα-helixtrans-87.9-29.9-178-65.3-58.5000113.4D98 V100D98-N102 WeakPolarHBondContact O-CB 3.39Å; D98-N102 PolarHBondContact O-N 3.13Å; D98-N102 PolarHBondContact O-ND2 3.15Å; V100-N102 VanDerWaalsContact C-N 3.3Å; V100-N102 PolarHBondContact O-N 3.49Å
103G95.1Very high96.4Very high63 Ų6352.3 Ų52.365%0.64933%0.325SS*.Hα-helixtrans-103.6-11.9-17300000115.3C99 V100C99-G103 WeakPolarHBondContact O-CA 3.33Å; C99-G103 PolarHBondContact O-N 2.8Å; V100-G103 PolarHBondContact O-N 2.67Å
104G96.3Very high96.6Very high22 Ų2250.4 Ų50.423%0.22731%0.305CS..  trans72.7-162.9-16800000112.9V100 L106V100-G104 VanDerWaalsContact O-CA 3.24Å; V100-G104 WeakPolarHBondContact O-CA 3.14Å; V100-G104 PolarHBondContact O-N 3.08Å; G104-L106 PolarHBondContact O-N 2.97Å
105P96.6Very high96.8Very high62 Ų6248.9 Ų48.940%0.40329%0.289SS..SBendtrans-56.5136.3178.9-26.835.7000113.1L204 A206 L232P105-L204 WeakPolarHBondContact CB-O 3.42Å; P105-A206 HydrophobicContact CB-CB 4.5Å; P105-A206 HydrophobicContact CG-CB 3.72Å; P105-L232 HydrophobicContact CG-CD2 4.45Å
106L96.9Very high96.9Very high13 Ų1353.8 Ų53.87%0.06831%0.305CS..PPolyproline II helixtrans-76.4144.4174-58.7-174.6000110.7V100 G104 E108 A111 L114 M203V100-L106 HydrophobicContact CG2-CD1 4.49Å; V100-L106 HydrophobicContact CG2-CG 4.18Å; G104-L106 PolarHBondContact O-N 2.97Å; L106-E108 PolarHBondContact O-N 3.43Å; L106-A111 HydrophobicContact CB-CB 4.45Å; L106-L114 HydrophobicContact CD1-CD1 4.01Å; L106-M203 WeakPolarHBondContact CB-O 3.38Å; L106-M203 HydrophobicContact CD1-CB 4.16Å; L106-M203 HydrophobicContact CD1-CG 4.07Å; L106-M203 HydrophobicContact CD1-SD 4.21Å; L106-M203 PolarHBondContact N-O 3.37Å
107P96.2Very high96.9Very high80 Ų8054.7 Ų54.752%0.51931%0.309SS..PPolyproline II helixtrans-54.4138.7166.5-24.433.8000110.8S109 R110 A111P107-S109 PolarHBondContact O-N 3.46Å; P107-S109 VanDerWaalsContact O-N 3.12Å; P107-R110 WeakPolarHBondContact O-CA 3.39Å; P107-R110 WeakPolarHBondContact O-CB 3.38Å; P107-R110 PolarHBondContact O-N 3.47Å; P107-A111 PolarHBondContact O-N 3.5Å
108E96.9Very high97Very high41 Ų4150.7 Ų50.719%0.19229%0.292CS..Hα-helixtrans-54.9-37.1-175.1-172.2179.3141.500112.5L106 R110 A111 K112 L204 S235 W264L106-E108 PolarHBondContact O-N 3.43Å; E108-R110 PolarHBondContact O-N 3.27Å; E108-A111 PolarHBondContact O-N 3.01Å; E108-K112 VanDerWaalsContact O-CB 3.26Å; E108-K112 WeakPolarHBondContact O-CB 3.18Å; E108-K112 PolarHBondContact O-N 3.01Å; E108-L204 HydrophobicContact CB-CD2 4.12Å; E108-L204 HydrophobicContact CG-CD2 4.09Å; E108-S235 VanDerWaalsContact OE1-CB 3.28Å; E108-S235 WeakPolarHBondContact OE1-CB 3.29Å; E108-S235 PolarHBondContact OE1-OG 3.22Å; E108-S235 PolarHBondContact OE2-N 2.88Å; E108-W264 HydrophobicContact CG-CZ2 3.83Å; E108-W264 PolarHBondContact OE1-NE1 3.06Å
109S96.1Very high97.2Very high91 Ų9147.4 Ų47.464%0.63627%0.274SS*.Hα-helixtrans-62.2-39.6175.856.70000113.1P107 A113P107-S109 PolarHBondContact O-N 3.46Å; P107-S109 VanDerWaalsContact O-N 3.12Å; S109-A113 PolarHBondContact O-N 3.29Å
110R96.4Very high97.3Very high103 Ų10348.1 Ų48.139%0.38928%0.275SS..Hα-helixtrans-71-44.4175.6-175.1176.4177.8-167.1-3.8110.8P107 E108 K112 A113 L114P107-R110 WeakPolarHBondContact O-CA 3.39Å; P107-R110 WeakPolarHBondContact O-CB 3.38Å; P107-R110 PolarHBondContact O-N 3.47Å; E108-R110 PolarHBondContact O-N 3.27Å; R110-K112 VanDerWaalsContact C-N 3.31Å; R110-K112 PolarHBondContact O-N 2.95Å; R110-A113 PolarHBondContact O-N 3.46Å; R110-L114 HydrophobicContact CG-CD1 4.37Å; R110-L114 WeakPolarHBondContact O-CG 3.49Å; R110-L114 PolarHBondContact O-N 3.35Å
111A97.9Very high97.3Very high0 Ų047.8 Ų47.80%027%0.273CS..Hα-helixtrans-58.9-43.217500000111.1L106 P107 E108 L114 F115 L200 M203 L204L106-A111 HydrophobicContact CB-CB 4.45Å; P107-A111 PolarHBondContact O-N 3.5Å; E108-A111 PolarHBondContact O-N 3.01Å; A111-L114 PolarHBondContact O-N 2.9Å; A111-F115 WeakPolarHBondContact O-CB 3.19Å; A111-F115 PolarHBondContact O-N 2.86Å; A111-L200 HydrophobicContact CB-CD1 4.36Å; A111-M203 HydrophobicContact CB-CB 4.16Å; A111-L204 HydrophobicContact CB-CD2 3.71Å; A111-L204 HydrophobicContact CB-CG 4.14Å
112K98.1Very high97.4Very high35 Ų3542.3 Ų42.315%0.15224%0.244CC..Hα-helixtrans-58.5-48.4174.1-171.5-173.1-67.5-164.70112.2E108 R110 L114 F115 R116 W264 L265 S267E108-K112 VanDerWaalsContact O-CB 3.26Å; E108-K112 WeakPolarHBondContact O-CB 3.18Å; E108-K112 PolarHBondContact O-N 3.01Å; R110-K112 VanDerWaalsContact C-N 3.31Å; R110-K112 PolarHBondContact O-N 2.95Å; K112-L114 PolarHBondContact O-N 2.91Å; K112-F115 PolarHBondContact O-N 3.49Å; K112-R116 WeakPolarHBondContact O-CB 3.4Å; K112-R116 PolarHBondContact O-N 3.26Å; K112-W264 HydrophobicContact CB-CH2 3.54Å; K112-W264 HydrophobicContact CB-CZ2 3.56Å; K112-W264 HydrophobicContact CB-CZ3 4.1Å; K112-W264 VanDerWaalsContact CD-O 3.27Å; K112-W264 WeakPolarHBondContact CD-O 3.49Å; K112-W264 WeakPolarHBondContact CE-O 3.2Å; K112-W264 HydrophobicContact CG-CD2 4.26Å; K112-W264 HydrophobicContact CG-CE3 4.12Å; K112-W264 HydrophobicContact CG-CH2 3.89Å; K112-W264 HydrophobicContact CG-CZ2 3.96Å; K112-W264 HydrophobicContact CG-CZ3 3.95Å; K112-W264 PolarHBondContact NZ-O 3.46Å; K112-L265 HydrophobicContact CG-CD2 4.43Å; K112-S267 PolarHBondContact NZ-O 3.23Å; K112-S267 PolarHBondContact NZ-OG 2.68Å
113A97.8Very high97.6Very high40 Ų4041.2 Ų41.233%0.33123%0.23SC..Hα-helixtrans-62.1-40.7-179.300000112.8S109 R110 Q117S109-A113 PolarHBondContact O-N 3.29Å; R110-A113 PolarHBondContact O-N 3.46Å; A113-Q117 WeakPolarHBondContact O-CG 3.03Å; A113-Q117 PolarHBondContact O-NE2 2.8Å
114L98.4Very high97.7Very high5 Ų541.3 Ų41.33%0.02621%0.211CC..Hα-helixtrans-72.1-43.4175.8-65.5175.2000111.5L106 R110 A111 K112 R116 Q117 M118 L142 L147 M203L106-L114 HydrophobicContact CD1-CD1 4.01Å; R110-L114 HydrophobicContact CG-CD1 4.37Å; R110-L114 WeakPolarHBondContact O-CG 3.49Å; R110-L114 PolarHBondContact O-N 3.35Å; A111-L114 PolarHBondContact O-N 2.9Å; K112-L114 PolarHBondContact O-N 2.91Å; L114-R116 VanDerWaalsContact C-N 3.34Å; L114-R116 PolarHBondContact O-N 3.42Å; L114-Q117 WeakPolarHBondContact O-CB 3.16Å; L114-Q117 PolarHBondContact O-N 2.77Å; L114-Q117 VanDerWaalsContact O-N 3.13Å; L114-M118 PolarHBondContact O-N 2.9Å; L114-L142 HydrophobicContact CD1-CD2 4.05Å; L114-L142 HydrophobicContact CD2-CD2 3.78Å; L114-L147 HydrophobicContact CB-CD1 4.14Å; L114-L147 HydrophobicContact CD2-CB 4.09Å; L114-M203 HydrophobicContact CB-SD 4.2Å; L114-M203 HydrophobicContact CD1-SD 4.24Å
115F98.6Very high97.8Very high0 Ų040.3 Ų40.30%020%0.2CC..Hα-helixtrans-63.8-38.8179.9-168.5-104.7000112.1A111 K112 Q117 M118 V119 M196 L200 M203 L241 L245 V259 W264 L265A111-F115 WeakPolarHBondContact O-CB 3.19Å; A111-F115 PolarHBondContact O-N 2.86Å; K112-F115 PolarHBondContact O-N 3.49Å; F115-Q117 VanDerWaalsContact C-N 3.27Å; F115-Q117 PolarHBondContact O-N 2.77Å; F115-M118 HydrophobicContact CD2-SD 4.37Å; F115-M118 HydrophobicContact CE2-SD 4.36Å; F115-M118 WeakPolarHBondContact O-CB 3.04Å; F115-M118 PolarHBondContact O-N 2.97Å; F115-M118 VanDerWaalsContact O-N 3.15Å; F115-V119 HydrophobicContact CD1-CG2 3.91Å; F115-V119 HydrophobicContact CE1-CG2 3.58Å; F115-V119 HydrophobicContact CZ-CG2 4.06Å; F115-V119 WeakPolarHBondContact O-CG2 3.34Å; F115-V119 PolarHBondContact O-N 3.45Å; F115-M196 HydrophobicContact CE2-CB 3.94Å; F115-M196 HydrophobicContact CE2-CE 3.94Å; F115-M196 WeakPolarHBondContact CE2-O 3.48Å; F115-M196 HydrophobicContact CZ-CB 4.21Å; F115-M196 HydrophobicContact CZ-CE 3.81Å; F115-L200 HydrophobicContact CB-CD1 4.11Å; F115-L200 HydrophobicContact CD1-CD2 4.1Å; F115-L200 HydrophobicContact CD2-CB 3.74Å; F115-L200 HydrophobicContact CD2-CD1 4.13Å; F115-L200 HydrophobicContact CD2-CD2 4.17Å; F115-L200 HydrophobicContact CD2-CG 4.22Å; F115-L200 HydrophobicContact CE1-CD2 4.11Å; F115-L200 HydrophobicContact CE2-CB 3.75Å; F115-L200 HydrophobicContact CE2-CD2 4.16Å; F115-L200 HydrophobicContact CE2-CG 4.45Å; F115-L200 HydrophobicContact CG-CB 4.44Å; F115-L200 HydrophobicContact CG-CD1 4.06Å; F115-L200 HydrophobicContact CG-CD2 4.14Å; F115-L200 HydrophobicContact CG-CG 4.44Å; F115-L200 HydrophobicContact CZ-CB 4.46Å; F115-L200 HydrophobicContact CZ-CD2 4.14Å; F115-M203 HydrophobicContact CB-CE 4.14Å; F115-M203 HydrophobicContact CD2-CE 4.21Å; F115-L241 HydrophobicContact CD1-CD2 4.35Å; F115-L241 HydrophobicContact CE1-CD2 3.95Å; F115-L245 HydrophobicContact CE1-CD1 4.1Å; F115-L245 HydrophobicContact CE2-CD1 4.35Å; F115-L245 HydrophobicContact CZ-CD1 3.52Å; F115-V259 HydrophobicContact CE1-CG1 4.4Å; F115-W264 HydrophobicContact CB-CH2 4.49Å; F115-W264 HydrophobicContact CB-CZ3 4.22Å; F115-W264 AromaticContact CD1-CZ3 3.84Å; F115-W264 HydrophobicContact CD1-CZ3 3.84Å; F115-W264 HydrophobicContact CG-CZ3 4.31Å; F115-L265 HydrophobicContact CD1-CD2 4.07Å
116R98.3Very high97.8Very high132 Ų13237.5 Ų37.550%0.49818%0.182SC..Hα-helixtrans-57.3-42.1173.3-172176.766.9176.5-0.5111.8K112 L114 V119 E120 L265K112-R116 WeakPolarHBondContact O-CB 3.4Å; K112-R116 PolarHBondContact O-N 3.26Å; L114-R116 VanDerWaalsContact C-N 3.34Å; L114-R116 PolarHBondContact O-N 3.42Å; R116-V119 PolarHBondContact O-N 2.83Å; R116-E120 WeakPolarHBondContact O-CG 3.4Å; R116-E120 PolarHBondContact O-N 3.36Å; R116-L265 HydrophobicContact CB-CD2 4.04Å
117Q98.6Very high97.7Very high19 Ų1940 Ų409%0.08921%0.211CC..Hα-helixtrans-67.8-37177.4-68.7176.755.400112.4N69 A113 L114 F115 E120 A121 F145 L147N69-Q117 PolarHBondContact ND2-OE1 2.99Å; A113-Q117 WeakPolarHBondContact O-CG 3.03Å; A113-Q117 PolarHBondContact O-NE2 2.8Å; L114-Q117 WeakPolarHBondContact O-CB 3.16Å; L114-Q117 PolarHBondContact O-N 2.77Å; L114-Q117 VanDerWaalsContact O-N 3.13Å; F115-Q117 VanDerWaalsContact C-N 3.27Å; F115-Q117 PolarHBondContact O-N 2.77Å; Q117-E120 PolarHBondContact O-N 3.01Å; Q117-A121 WeakPolarHBondContact O-CB 3.35Å; Q117-A121 PolarHBondContact O-N 2.75Å; Q117-F145 PolarHBondContact NE2-O 2.85Å; Q117-F145 VanDerWaalsContact NE2-O 3.07Å; Q117-L147 HydrophobicContact CB-CB 4.08Å
118M98.8Very high97.6Very high1 Ų139 Ų391%0.00521%0.205CC..Hα-helixtrans-62.6-43.6171-176.6-179.6-73.900111.6L114 F115 E120 A121 I122 A140 L147 L149 M196 V199L114-M118 PolarHBondContact O-N 2.9Å; F115-M118 HydrophobicContact CD2-SD 4.37Å; F115-M118 HydrophobicContact CE2-SD 4.36Å; F115-M118 WeakPolarHBondContact O-CB 3.04Å; F115-M118 PolarHBondContact O-N 2.97Å; F115-M118 VanDerWaalsContact O-N 3.15Å; M118-E120 PolarHBondContact O-N 3.17Å; M118-A121 PolarHBondContact O-N 3.41Å; M118-I122 HydrophobicContact CG-CG1 4.43Å; M118-I122 WeakPolarHBondContact O-CG1 2.92Å; M118-I122 PolarHBondContact O-N 3.32Å; M118-A140 HydrophobicContact CE-CB 3.92Å; M118-L147 HydrophobicContact CB-CD1 4.27Å; M118-L147 HydrophobicContact CB-CD2 4.09Å; M118-L147 HydrophobicContact CE-CD1 3.89Å; M118-L147 HydrophobicContact CE-CD2 4.47Å; M118-L149 HydrophobicContact CE-CD2 4.13Å; M118-L149 HydrophobicContact CG-CD2 4.35Å; M118-M196 HydrophobicContact CB-CE 4.37Å; M118-M196 HydrophobicContact CG-CE 3.76Å; M118-M196 HydrophobicContact CG-CG 4.23Å; M118-M196 HydrophobicContact CG-SD 4.45Å; M118-M196 HydrophobicContact SD-CB 4.21Å; M118-M196 HydrophobicContact SD-CE 4.12Å; M118-M196 HydrophobicContact SD-CG 3.76Å; M118-V199 HydrophobicContact CE-CB 4.3Å; M118-V199 HydrophobicContact CE-CG1 3.74Å
119V98.7Very high97.5Very high4 Ų437.7 Ų37.72%0.02420%0.202CC..Hα-helixtrans-60.6-44.7175.3171.90000111.2F115 R116 A121 I122 R123 M196 I256 V259 L265F115-V119 HydrophobicContact CD1-CG2 3.91Å; F115-V119 HydrophobicContact CE1-CG2 3.58Å; F115-V119 HydrophobicContact CZ-CG2 4.06Å; F115-V119 WeakPolarHBondContact O-CG2 3.34Å; F115-V119 PolarHBondContact O-N 3.45Å; R116-V119 PolarHBondContact O-N 2.83Å; V119-A121 PolarHBondContact O-N 3.35Å; V119-I122 PolarHBondContact O-N 2.8Å; V119-R123 WeakPolarHBondContact O-CB 3.2Å; V119-R123 PolarHBondContact O-N 2.87Å; V119-M196 HydrophobicContact CB-CE 4.25Å; V119-M196 HydrophobicContact CG2-CE 3.47Å; V119-M196 VanDerWaalsContact CG2-CE 3.47Å; V119-I256 HydrophobicContact CB-CD1 4.49Å; V119-I256 HydrophobicContact CG1-CD1 4.08Å; V119-I256 HydrophobicContact CG1-CG1 4.48Å; V119-I256 HydrophobicContact CG2-CD1 4.44Å; V119-V259 HydrophobicContact CG1-CG1 4.43Å; V119-V259 HydrophobicContact CG2-CG1 3.92Å; V119-L265 HydrophobicContact CG1-CD1 4.4Å; V119-L265 HydrophobicContact CG2-CD1 4.02Å
120E98.4Very high97.4Very high43 Ų4333.5 Ų33.520%0.20117%0.173CC..Hα-helixtrans-58.3-46.2175-73.6172.7-155.500111.8K68 R116 Q117 M118 Y124K68-E120 WeakPolarHBondContact CE-OE2 3.47Å; K68-E120 IonicContact NZ-OE2 3.96Å; K68-E120 PolarHBondContact NZ-OE2 2.76Å; R116-E120 WeakPolarHBondContact O-CG 3.4Å; R116-E120 PolarHBondContact O-N 3.36Å; Q117-E120 PolarHBondContact O-N 3.01Å; M118-E120 PolarHBondContact O-N 3.17Å; E120-Y124 WeakPolarHBondContact O-CB 3.38Å; E120-Y124 PolarHBondContact O-N 3.08Å
121A98.4Very high97.4Very high0 Ų028.6 Ų28.60%016%0.155CC..Hα-helixtrans-64.2-46.6178.900000112.8N69 I70 Q117 M118 V119 Y124 C125 L149N69-A121 HydrophobicContact CB-CB 3.91Å; I70-A121 HydrophobicContact CG1-CB 4.06Å; Q117-A121 WeakPolarHBondContact O-CB 3.35Å; Q117-A121 PolarHBondContact O-N 2.75Å; M118-A121 PolarHBondContact O-N 3.41Å; V119-A121 PolarHBondContact O-N 3.35Å; A121-Y124 WeakPolarHBondContact O-CB 3.27Å; A121-Y124 PolarHBondContact O-N 2.89Å; A121-C125 PolarHBondContact O-N 3.12Å; A121-C125 PolarHBondContact O-SG 3.13Å; A121-C125 VanDerWaalsContact O-SG 3.36Å; A121-L149 HydrophobicContact CB-CD1 3.65Å; A121-L149 HydrophobicContact CB-CG 4.22Å
122I98.5Very high97.4Very high0 Ų028.6 Ų28.60%016%0.155CC..Hα-helixtrans-70.7-37.8-179.1-66.3-54.4000111.7M118 V119 Y124 C125 H126 H132 L135 L149 D192 M196 I256M118-I122 HydrophobicContact CG-CG1 4.43Å; M118-I122 WeakPolarHBondContact O-CG1 2.92Å; M118-I122 PolarHBondContact O-N 3.32Å; V119-I122 PolarHBondContact O-N 2.8Å; I122-Y124 VanDerWaalsContact C-N 3.28Å; I122-Y124 PolarHBondContact O-N 3.11Å; I122-C125 PolarHBondContact O-N 3.03Å; I122-H126 VanDerWaalsContact CG2-CE1 3.46Å; I122-H126 WeakPolarHBondContact CG2-CE1 3.48Å; I122-H126 WeakPolarHBondContact CG2-NE2 3.02Å; I122-H126 WeakPolarHBondContact O-CB 3.46Å; I122-H126 PolarHBondContact O-CD2 3.11Å; I122-H126 VanDerWaalsContact O-CG 3.32Å; I122-H126 PolarHBondContact O-N 2.88Å; I122-H132 HydrophobicContact CD1-CB 4.32Å; I122-L135 HydrophobicContact CD1-CD1 3.61Å; I122-L135 HydrophobicContact CD1-CD2 3.85Å; I122-L135 HydrophobicContact CD1-CG 4.28Å; I122-L135 HydrophobicContact CG1-CD1 3.89Å; I122-L149 HydrophobicContact CD1-CD1 3.44Å; I122-L149 VanDerWaalsContact CD1-CD1 3.44Å; I122-L149 HydrophobicContact CG1-CD1 3.86Å; I122-D192 HydrophobicContact CG2-CB 4.39Å; I122-M196 HydrophobicContact CB-SD 3.86Å; I122-M196 HydrophobicContact CG1-CE 4.49Å; I122-M196 HydrophobicContact CG1-CG 4.49Å; I122-M196 HydrophobicContact CG1-SD 3.7Å; I122-M196 HydrophobicContact CG2-SD 3.86Å; I122-I256 HydrophobicContact CB-CD1 4.23Å; I122-I256 HydrophobicContact CB-CG1 4.33Å; I122-I256 HydrophobicContact CG2-CD1 3.98Å; I122-I256 HydrophobicContact CG2-CG1 3.96Å
123R98.1Very high97.2Very high111 Ų11128.2 Ų28.242%0.41915%0.152SC..Hα-helixtrans-59.6-42.1172.5-170.6179.368-1781.4111.1V119 G127 I256V119-R123 WeakPolarHBondContact O-CB 3.2Å; V119-R123 PolarHBondContact O-N 2.87Å; R123-G127 PolarHBondContact O-N 3.24Å; R123-I256 HydrophobicContact CB-CG1 3.95Å; R123-I256 HydrophobicContact CB-CG2 4.26Å; R123-I256 HydrophobicContact CG-CG2 4.28Å
124Y98.1Very high97.1Very high66 Ų6626.6 Ų26.626%0.25914%0.138SC..Hα-helixtrans-60.1-52.8173.3171.7-95000111.8L65 E66 H67 I70 E120 A121 I122 H126 G127 C128L65-Y124 HydrophobicContact CB-CE1 4.23Å; L65-Y124 HydrophobicContact CD2-CD1 4.43Å; L65-Y124 HydrophobicContact CD2-CE1 3.76Å; E66-Y124 PolarHBondContact N-OH 2.9Å; E66-Y124 VanDerWaalsContact O-CZ 3.29Å; E66-Y124 PolarHBondContact O-OH 3.46Å; H67-Y124 HydrophobicContact CB-CD1 3.76Å; H67-Y124 HydrophobicContact CB-CE1 3.94Å; H67-Y124 HydrophobicContact CB-CG 4.1Å; H67-Y124 AromaticContact CD2-CG 3.92Å; I70-Y124 HydrophobicContact CD1-CD1 3.8Å; I70-Y124 HydrophobicContact CD1-CE1 4.19Å; E120-Y124 WeakPolarHBondContact O-CB 3.38Å; E120-Y124 PolarHBondContact O-N 3.08Å; A121-Y124 WeakPolarHBondContact O-CB 3.27Å; A121-Y124 PolarHBondContact O-N 2.89Å; I122-Y124 VanDerWaalsContact C-N 3.28Å; I122-Y124 PolarHBondContact O-N 3.11Å; Y124-H126 VanDerWaalsContact C-N 3.35Å; Y124-H126 PolarHBondContact O-N 2.96Å; Y124-G127 PolarHBondContact O-N 2.88Å; Y124-G127 VanDerWaalsContact O-N 3.15Å; Y124-C128 PolarHBondContact O-N 2.79Å; Y124-C128 PolarHBondContact O-SG 2.81Å
125C97.4Very high97.1Very high0 Ų026.4 Ų26.40%014%0.137CC..Hα-helixtrans-54.5-49.7177.5-70.70000111.9I70 A121 I122 G127 C128 G129 V130I70-C125 WeakPolarHBondContact CD1-SG 3.29Å; A121-C125 PolarHBondContact O-N 3.12Å; A121-C125 PolarHBondContact O-SG 3.13Å; A121-C125 VanDerWaalsContact O-SG 3.36Å; I122-C125 PolarHBondContact O-N 3.03Å; C125-G127 VanDerWaalsContact C-N 3.29Å; C125-G127 PolarHBondContact O-N 3.35Å; C125-C128 CarbonylContact O-C 3.59Å; C125-C128 WeakPolarHBondContact O-CA 3.26Å; C125-C128 WeakPolarHBondContact O-CB 3.17Å; C125-C128 PolarHBondContact O-N 3.44Å; C125-C128 VanDerWaalsContact O-N 3.09Å; C125-G129 PolarHBondContact O-N 3.04Å; C125-V130 CarbonylContact C-O 3.51Å; C125-V130 HydrophobicContact CB-CB 4.49Å; C125-V130 PolarHBondContact O-N 2.96Å; C125-V130 VanDerWaalsContact O-O 3.06Å
126H96.4Very high97Very high4 Ų428 Ų282%0.01914%0.144CC..Hα-helixtrans-63.2-36.4-179.2-74.6-166.5000111.9I122 Y124 G129 V130 K189 D192 I256I122-H126 VanDerWaalsContact CG2-CE1 3.46Å; I122-H126 WeakPolarHBondContact CG2-CE1 3.48Å; I122-H126 WeakPolarHBondContact CG2-NE2 3.02Å; I122-H126 WeakPolarHBondContact O-CB 3.46Å; I122-H126 PolarHBondContact O-CD2 3.11Å; I122-H126 VanDerWaalsContact O-CG 3.32Å; I122-H126 PolarHBondContact O-N 2.88Å; Y124-H126 VanDerWaalsContact C-N 3.35Å; Y124-H126 PolarHBondContact O-N 2.96Å; H126-G129 PolarHBondContact O-N 3Å; H126-G129 VanDerWaalsContact O-N 3.1Å; H126-V130 PolarHBondContact CD2-O 3.07Å; H126-V130 PolarHBondContact N-O 3.41Å; H126-K189 HydrophobicContact CB-CD 4.05Å; H126-K189 VanDerWaalsContact CE1-CA 3.49Å; H126-K189 WeakPolarHBondContact CE1-CA 3.46Å; H126-K189 VanDerWaalsContact CE1-CB 3.47Å; H126-K189 WeakPolarHBondContact CE1-CB 3.37Å; H126-K189 PolarHBondContact CE1-O 3.45Å; H126-K189 WeakPolarHBondContact O-CE 3.39Å; H126-K189 PolarHBondContact O-NZ 3.04Å; H126-D192 IonicContact CD2-OD2 2.65Å; H126-D192 IonicContact CE1-OD2 3.7Å; H126-D192 IonicContact NE2-OD2 2.84Å; H126-D192 PolarHBondContact NE2-OD2 3.26Å; H126-I256 HydrophobicContact CB-CG2 4.05Å; H126-I256 WeakPolarHBondContact ND1-CG2 3.23Å
127G95.3Very high97Very high65 Ų6521.8 Ų21.867%0.6712%0.121SC*.Hα-helixtrans-66.8-34.7173.100000113.3R123 Y124 C125 G129R123-G127 PolarHBondContact O-N 3.24Å; Y124-G127 PolarHBondContact O-N 2.88Å; Y124-G127 VanDerWaalsContact O-N 3.15Å; C125-G127 VanDerWaalsContact C-N 3.29Å; C125-G127 PolarHBondContact O-N 3.35Å; G127-G129 PolarHBondContact O-N 3.44Å
128C94.4Very high96.9Very high59 Ų5924 Ų2440%0.39913%0.131SC..THydrogen-bonded Turntrans-73.5-2170.2-67.50000113.4L65 Y124 C125L65-C128 HydrophobicContact CD2-CB 4.15Å; Y124-C128 PolarHBondContact O-N 2.79Å; Y124-C128 PolarHBondContact O-SG 2.81Å; C125-C128 CarbonylContact O-C 3.59Å; C125-C128 WeakPolarHBondContact O-CA 3.26Å; C125-C128 WeakPolarHBondContact O-CB 3.17Å; C125-C128 PolarHBondContact O-N 3.44Å; C125-C128 VanDerWaalsContact O-N 3.09Å
129G94.1Very high96.8Very high13 Ų1324.4 Ų24.413%0.13413%0.133CC..THydrogen-bonded Turntrans74.130.9-176.200000112.7C125 H126 G127 V157 L158C125-G129 PolarHBondContact O-N 3.04Å; H126-G129 PolarHBondContact O-N 3Å; H126-G129 VanDerWaalsContact O-N 3.1Å; G127-G129 PolarHBondContact O-N 3.44Å; G129-V157 CarbonylContact O-C 3.51Å; G129-L158 WeakPolarHBondContact O-CB 3.45Å; G129-L158 PolarHBondContact O-N 3.48Å
130V95.5Very high96.8Very high4 Ų424.2 Ų24.22%0.02413%0.132CC..EExtended strand (participates in β ladder)trans-118.1129.2177.8176.90000109.5I61 L65 C125 H126 A155 K156I61-V130 HydrophobicContact CD1-CG1 4.07Å; I61-V130 HydrophobicContact CG1-CG1 4.43Å; I61-V130 HydrophobicContact CG1-CG2 4.3Å; I61-V130 HydrophobicContact CG2-CG1 3.82Å; I61-V130 HydrophobicContact CG2-CG2 4.31Å; L65-V130 HydrophobicContact CD2-CG2 4.4Å; C125-V130 CarbonylContact C-O 3.51Å; C125-V130 HydrophobicContact CB-CB 4.49Å; C125-V130 PolarHBondContact O-N 2.96Å; C125-V130 VanDerWaalsContact O-O 3.06Å; H126-V130 PolarHBondContact CD2-O 3.07Å; H126-V130 PolarHBondContact N-O 3.41Å; V130-A155 HydrophobicContact CG1-CB 4.27Å; V130-K156 WeakPolarHBondContact CA-O 3.45Å
131A96Very high96.7Very high0 Ų023.9 Ų23.90%013%0.132CC..EExtended strand (participates in β ladder)trans-103.8139.4165.400000109.8R133 A155 K156 L158 D192A131-R133 HydrophobicContact CB-CG 4.12Å; A131-A155 CarbonylContact O-C 3.51Å; A131-A155 WeakPolarHBondContact O-CA 3.43Å; A131-A155 WeakPolarHBondContact O-CB 3.47Å; A131-K156 PolarHBondContact N-O 3.35Å; A131-K156 PolarHBondContact O-N 3.09Å; A131-L158 HydrophobicContact CB-CD1 4.11Å; A131-D192 WeakPolarHBondContact CA-OD2 3.4Å
132H96.9Very high96.7Very high0 Ų024.2 Ų24.20%013%0.133CC..  trans-76.7-46.5-174.7-170.3-80.8000112.3I122 D134 L135 T150 D151 F152 F154 A155 D192I122-H132 HydrophobicContact CD1-CB 4.32Å; H132-D134 PolarHBondContact CE1-O 3.03Å; H132-D134 VanDerWaalsContact CE1-O 3.32Å; H132-D134 VanDerWaalsContact ND1-C 3.33Å; H132-D134 PolarHBondContact ND1-N 3.26Å; H132-D134 PolarHBondContact ND1-O 2.85Å; H132-D134 PolarHBondContact O-N 3.19Å; H132-D134 VanDerWaalsContact O-N 3.14Å; H132-L135 HydrophobicContact CB-CD1 4.39Å; H132-L135 HydrophobicContact CB-CD2 4.03Å; H132-L135 HydrophobicContact CB-CG 3.96Å; H132-T150 PolarHBondContact NE2-O 3.25Å; H132-D151 PolarHBondContact CE1-O 3.11Å; H132-D151 VanDerWaalsContact CE1-O 3.23Å; H132-D151 PolarHBondContact NE2-O 2.91Å; H132-F152 AromaticContact CD2-CD1 3.77Å; H132-F152 AromaticContact CD2-CE1 3.54Å; H132-F152 AromaticContact CD2-CZ 3.75Å; H132-F154 CarbonylContact O-C 3.13Å; H132-A155 VanDerWaalsContact O-CA 3.31Å; H132-A155 WeakPolarHBondContact O-CA 3.22Å; H132-A155 PolarHBondContact O-N 3.39Å; H132-D192 PolarHBondContact N-OD1 3.45Å; H132-D192 PolarHBondContact N-OD2 3.18Å
133R95.3Very high96.5Very high26 Ų2627.2 Ų27.210%0.09815%0.147CC..SBendtrans65.60.3175.6-58178.762.1-145.45.4117.4A131 F154 S166 T168 C170 D192A131-R133 HydrophobicContact CB-CG 4.12Å; R133-F154 HydrophobicContact CB-CB 4.48Å; R133-F154 PolarHBondContact NH1-O 2.86Å; R133-S166 PolarHBondContact NH2-OG 2.95Å; R133-T168 PolarHBondContact NH2-O 2.88Å; R133-C170 PolarHBondContact NH1-SG 2.84Å; R133-C170 VanDerWaalsContact NH1-SG 3.41Å; R133-C170 PolarHBondContact NH2-SG 3.29Å; R133-D192 WeakPolarHBondContact CA-OD1 3.28Å; R133-D192 PolarHBondContact N-OD1 3.33Å
134D95.1Very high96.2Very high6 Ų625.1 Ų25.13%0.03216%0.16CC..  trans-141.352.1170.8-166.538.5000112H132 K136 N139 F154 G171 S172H132-D134 PolarHBondContact CE1-O 3.03Å; H132-D134 VanDerWaalsContact CE1-O 3.32Å; H132-D134 VanDerWaalsContact ND1-C 3.33Å; H132-D134 PolarHBondContact ND1-N 3.26Å; H132-D134 PolarHBondContact ND1-O 2.85Å; H132-D134 PolarHBondContact O-N 3.19Å; H132-D134 VanDerWaalsContact O-N 3.14Å; D134-K136 WeakPolarHBondContact OD2-CE 3.48Å; D134-K136 IonicContact OD2-NZ 2.68Å; D134-K136 PolarHBondContact OD2-NZ 2.97Å; D134-N139 PolarHBondContact O-ND2 3.35Å; D134-N139 PolarHBondContact OD2-ND2 3.23Å; D134-F154 HydrophobicContact CB-CB 4.17Å; D134-F154 HydrophobicContact CB-CD2 3.7Å; D134-F154 HydrophobicContact CB-CG 4.37Å; D134-G171 WeakPolarHBondContact OD1-CA 3.36Å; D134-S172 PolarHBondContact OD1-N 3.13Å
135L98.2Very high95.9Very high2 Ų230.5 Ų30.51%0.0119%0.185CC..  trans-77.3125.5175-66.9169.7000109.8I122 H132 L149 Y175 D192 S195 M196I122-L135 HydrophobicContact CD1-CD1 3.61Å; I122-L135 HydrophobicContact CD1-CD2 3.85Å; I122-L135 HydrophobicContact CD1-CG 4.28Å; I122-L135 HydrophobicContact CG1-CD1 3.89Å; H132-L135 HydrophobicContact CB-CD1 4.39Å; H132-L135 HydrophobicContact CB-CD2 4.03Å; H132-L135 HydrophobicContact CB-CG 3.96Å; L135-L149 HydrophobicContact CD2-CD1 4.01Å; L135-L149 HydrophobicContact CD2-CD2 3.95Å; L135-Y175 WeakPolarHBondContact O-CB 3.42Å; L135-D192 HydrophobicContact CD1-CB 3.78Å; L135-S195 WeakPolarHBondContact O-CB 3.22Å; L135-M196 HydrophobicContact CD1-CG 3.67Å; L135-M196 HydrophobicContact CD1-SD 4.4Å
136K97.4Very high95.8Very high34 Ų3434.3 Ų34.315%0.14821%0.205CC..  trans-157.2169179.558.3-176.6173.3-1710109.8D134 E138 N139 A140 S172 Y175D134-K136 WeakPolarHBondContact OD2-CE 3.48Å; D134-K136 IonicContact OD2-NZ 2.68Å; D134-K136 PolarHBondContact OD2-NZ 2.97Å; K136-E138 WeakPolarHBondContact CB-OE2 3.38Å; K136-E138 HydrophobicContact CD-CB 4.31Å; K136-E138 HydrophobicContact CG-CB 4.24Å; K136-E138 PolarHBondContact O-N 2.8Å; K136-N139 VanDerWaalsContact CE-ND2 3.3Å; K136-N139 WeakPolarHBondContact CE-ND2 3.24Å; K136-N139 HydrophobicContact CG-CB 3.98Å; K136-N139 PolarHBondContact O-N 3.03Å; K136-N139 VanDerWaalsContact O-N 3.13Å; K136-A140 PolarHBondContact O-N 3.34Å; K136-S172 WeakPolarHBondContact CD-OG 3.42Å; K136-S172 PolarHBondContact NZ-OG 2.76Å; K136-S172 VanDerWaalsContact NZ-OG 3.14Å; K136-Y175 HydrophobicContact CB-CD1 3.91Å; K136-Y175 HydrophobicContact CB-CD2 3.6Å; K136-Y175 HydrophobicContact CB-CE1 3.81Å; K136-Y175 HydrophobicContact CB-CE2 3.45Å; K136-Y175 VanDerWaalsContact CB-CE2 3.45Å; K136-Y175 HydrophobicContact CB-CG 3.81Å
137C97.5Very high95.9Very high0 Ų034.1 Ų34.10%021%0.205CC..G310 helixtrans-61.4-35.8-176.9-62.40000111.9V96 F97 N139 A140 Y175V96-C137 HydrophobicContact CB-CB 4.16Å; V96-C137 HydrophobicContact CG1-CB 4.05Å; V96-C137 PolarHBondContact N-O 3.13Å; F97-C137 HydrophobicContact CB-CB 3.66Å; F97-C137 HydrophobicContact CD2-CB 4.39Å; C137-N139 VanDerWaalsContact C-N 3.29Å; C137-N139 PolarHBondContact O-N 3.32Å; C137-A140 PolarHBondContact O-N 3.4Å; C137-Y175 PolarHBondContact N-OH 2.99Å; C137-Y175 PolarHBondContact SG-OH 2.83Å; C137-Y175 VanDerWaalsContact SG-OH 3.33Å
138E95.9Very high96Very high65 Ų6531.7 Ų31.730%0.30418%0.176SC..G310 helixtrans-67-28.5178.6-54.295.1114.900112.6F97 K136 A140 Y175F97-E138 HydrophobicContact CB-CG 3.94Å; F97-E138 HydrophobicContact CG-CG 4.18Å; K136-E138 WeakPolarHBondContact CB-OE2 3.38Å; K136-E138 HydrophobicContact CD-CB 4.31Å; K136-E138 HydrophobicContact CG-CB 4.24Å; K136-E138 PolarHBondContact O-N 2.8Å; E138-A140 VanDerWaalsContact C-N 3.34Å; E138-Y175 PolarHBondContact OE2-OH 3.34Å; E138-Y175 VanDerWaalsContact OE2-OH 3.12Å
139N97Very high96.2Very high11 Ų1128.9 Ų28.96%0.05916%0.157CC..G310 helixtrans-92.53.9177.8-71.4-10.2000112.7D134 K136 C137 L149 T150D134-N139 PolarHBondContact O-ND2 3.35Å; D134-N139 PolarHBondContact OD2-ND2 3.23Å; K136-N139 VanDerWaalsContact CE-ND2 3.3Å; K136-N139 WeakPolarHBondContact CE-ND2 3.24Å; K136-N139 HydrophobicContact CG-CB 3.98Å; K136-N139 PolarHBondContact O-N 3.03Å; K136-N139 VanDerWaalsContact O-N 3.13Å; C137-N139 VanDerWaalsContact C-N 3.29Å; C137-N139 PolarHBondContact O-N 3.32Å; N139-L149 WeakPolarHBondContact O-CA 3.46Å; N139-T150 HydrophobicContact CB-CG2 4.43Å; N139-T150 PolarHBondContact O-N 2.95Å
140A98Very high96.3Very high0 Ų029.3 Ų29.30%016%0.157CC..EExtended strand (participates in β ladder)trans-108.790.6174.100000109.6D95 V96 M118 K136 C137 E138 L147 L149D95-A140 WeakPolarHBondContact CA-O 3.39Å; V96-A140 HydrophobicContact CB-CB 4.27Å; V96-A140 HydrophobicContact CG2-CB 3.87Å; V96-A140 WeakPolarHBondContact CG2-O 3.37Å; V96-A140 PolarHBondContact N-O 3.34Å; M118-A140 HydrophobicContact CE-CB 3.92Å; K136-A140 PolarHBondContact O-N 3.34Å; C137-A140 PolarHBondContact O-N 3.4Å; E138-A140 VanDerWaalsContact C-N 3.34Å; A140-L147 HydrophobicContact CB-CD1 4.05Å; A140-L147 HydrophobicContact CB-CG 4.34Å; A140-L149 HydrophobicContact CB-CD2 4.33Å
141L97.9Very high96.1Very high36 Ų3631.5 Ų31.519%0.18817%0.168CC..EExtended strand (participates in β ladder)trans-79.5156.9-178.6-51.3-173.3000111.7I71 A91 G94 D95 L147 K148 T150I71-L141 HydrophobicContact CD1-CD1 3.97Å; I71-L141 HydrophobicContact CG1-CD1 4.02Å; A91-L141 HydrophobicContact CB-CB 3.61Å; A91-L141 HydrophobicContact CB-CD1 3.93Å; A91-L141 HydrophobicContact CB-CG 4.44Å; G94-L141 CarbonylContact O-C 3.59Å; G94-L141 WeakPolarHBondContact O-CA 3.43Å; D95-L141 HydrophobicContact CB-CD2 3.77Å; L141-L147 CarbonylContact O-C 3.52Å; L141-L147 WeakPolarHBondContact O-CA 3.36Å; L141-K148 WeakPolarHBondContact CB-O 3.47Å; L141-K148 PolarHBondContact N-O 3.22Å; L141-K148 PolarHBondContact O-N 3.41Å; L141-T150 HydrophobicContact CD1-CG2 3.85Å; L141-T150 HydrophobicContact CD2-CG2 4.07Å; L141-T150 HydrophobicContact CG-CG2 3.73Å
142L97.4Very high95.9Very high7 Ų731.9 Ų31.94%0.03717%0.17CC..EExtended strand (participates in β ladder)trans-114.4136.8179.2-60.8176.9000111.1G93 G94 V96 C99 L114 N146G93-L142 WeakPolarHBondContact CA-O 3.15Å; G93-L142 PolarHBondContact N-O 3.47Å; G94-L142 PolarHBondContact O-N 2.83Å; V96-L142 HydrophobicContact CG2-CD2 3.98Å; V96-L142 HydrophobicContact CG2-CG 4.29Å; C99-L142 HydrophobicContact CB-CD1 3.81Å; L114-L142 HydrophobicContact CD1-CD2 4.05Å; L114-L142 HydrophobicContact CD2-CD2 3.78Å; L142-N146 WeakPolarHBondContact CA-O 3.3Å
143Q94.3Very high95.3Very high62 Ų6232.3 Ų32.329%0.2918%0.175SC..EExtended strand (participates in β ladder)trans-137.296.4171.7-166.9-17355.800108.7E89 L90 A91 F145 N146 K148E89-Q143 PolarHBondContact OE1-NE2 2.74Å; E89-Q143 PolarHBondContact OE1-OE1 3.38Å; L90-Q143 PolarHBondContact O-NE2 3.03Å; A91-Q143 HydrophobicContact CB-CB 4.36Å; Q143-F145 PolarHBondContact O-N 3.35Å; Q143-N146 PolarHBondContact N-O 2.74Å; Q143-N146 WeakPolarHBondContact O-CB 3.14Å; Q143-N146 PolarHBondContact O-N 2.71Å; Q143-K148 HydrophobicContact CB-CD 4.38Å
144G91.9Very high94.9Very high67 Ų6734.3 Ų34.369%0.69118%0.184SC*.THydrogen-bonded Turntrans62.3-118.7-167.800000111
145F91.5Very high94.7Very high180 Ų18034.1 Ų34.179%0.78918%0.184SC*.THydrogen-bonded Turntrans-93.95.8175.7-63.5-77.3000113.6Q117 Q143Q117-F145 PolarHBondContact NE2-O 2.85Å; Q117-F145 VanDerWaalsContact NE2-O 3.07Å; Q143-F145 PolarHBondContact O-N 3.35Å
146N96Very high94.3Very high79 Ų7935 Ų3542%0.42219%0.187SC..EExtended strand (participates in β ladder)trans-101.6141.7-175.9-58.1-53.8000112L142 Q143L142-N146 WeakPolarHBondContact CA-O 3.3Å; Q143-N146 PolarHBondContact N-O 2.74Å; Q143-N146 WeakPolarHBondContact O-CB 3.14Å; Q143-N146 PolarHBondContact O-N 2.71Å
147L98.2Very high93.9Very high0 Ų036.3 Ų36.30%020%0.198CC..EExtended strand (participates in β ladder)trans-93137.8169.8-174.3146.2000109.8N69 V96 L114 Q117 M118 A140 L141 L149N69-L147 VanDerWaalsContact CA-O 3.31Å; N69-L147 WeakPolarHBondContact CA-O 3.42Å; N69-L147 VanDerWaalsContact CB-O 3.3Å; N69-L147 WeakPolarHBondContact CB-O 3.24Å; N69-L147 PolarHBondContact ND2-O 3.46Å; V96-L147 HydrophobicContact CG2-CD1 4.49Å; L114-L147 HydrophobicContact CB-CD1 4.14Å; L114-L147 HydrophobicContact CD2-CB 4.09Å; Q117-L147 HydrophobicContact CB-CB 4.08Å; M118-L147 HydrophobicContact CB-CD1 4.27Å; M118-L147 HydrophobicContact CB-CD2 4.09Å; M118-L147 HydrophobicContact CE-CD1 3.89Å; M118-L147 HydrophobicContact CE-CD2 4.47Å; A140-L147 HydrophobicContact CB-CD1 4.05Å; A140-L147 HydrophobicContact CB-CG 4.34Å; L141-L147 CarbonylContact O-C 3.52Å; L141-L147 WeakPolarHBondContact O-CA 3.36Å; L147-L149 HydrophobicContact CD2-CD2 3.79Å; L147-L149 HydrophobicContact CD2-CG 3.94Å
148K98.4Very high93.5Very high14 Ų1437.3 Ų37.36%0.06120%0.203CC..EExtended strand (participates in β ladder)trans-131.2115.8173.9-70-176.8173.8-84.30110.5K68 N69 I71 E89 L141 Q143K68-K148 PolarHBondContact O-NZ 3.06Å; N69-K148 WeakPolarHBondContact O-CA 3.3Å; I71-K148 HydrophobicContact CD1-CB 3.78Å; I71-K148 HydrophobicContact CD1-CD 3.83Å; I71-K148 HydrophobicContact CD1-CG 4.45Å; I71-K148 HydrophobicContact CG1-CB 4.06Å; E89-K148 WeakPolarHBondContact OE1-CE 3.48Å; E89-K148 IonicContact OE1-NZ 3.8Å; E89-K148 PolarHBondContact OE1-NZ 3.37Å; E89-K148 WeakPolarHBondContact OE2-CE 3.41Å; E89-K148 IonicContact OE2-NZ 3.52Å; E89-K148 PolarHBondContact OE2-NZ 3.14Å; L141-K148 WeakPolarHBondContact CB-O 3.47Å; L141-K148 PolarHBondContact N-O 3.22Å; L141-K148 PolarHBondContact O-N 3.41Å; Q143-K148 HydrophobicContact CB-CD 4.38Å
149L98.3Very high92.8Very high1 Ų136.3 Ų36.31%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-71.9141.4173.7-64.5-178.7000110.8N69 I71 M118 A121 I122 L135 N139 A140 L147N69-L149 PolarHBondContact O-N 3.35Å; I71-L149 PolarHBondContact N-O 3.19Å; M118-L149 HydrophobicContact CE-CD2 4.13Å; M118-L149 HydrophobicContact CG-CD2 4.35Å; A121-L149 HydrophobicContact CB-CD1 3.65Å; A121-L149 HydrophobicContact CB-CG 4.22Å; I122-L149 HydrophobicContact CD1-CD1 3.44Å; I122-L149 VanDerWaalsContact CD1-CD1 3.44Å; I122-L149 HydrophobicContact CG1-CD1 3.86Å; L135-L149 HydrophobicContact CD2-CD1 4.01Å; L135-L149 HydrophobicContact CD2-CD2 3.95Å; N139-L149 WeakPolarHBondContact O-CA 3.46Å; A140-L149 HydrophobicContact CB-CD2 4.33Å; L147-L149 HydrophobicContact CD2-CD2 3.79Å; L147-L149 HydrophobicContact CD2-CG 3.94Å
150T95.7Very high91.7Very high22 Ų2245.8 Ų45.814%0.13524%0.243CC..  trans-136.9174.6179.2-164.20000110.9H132 N139 L141H132-T150 PolarHBondContact NE2-O 3.25Å; N139-T150 HydrophobicContact CB-CG2 4.43Å; N139-T150 PolarHBondContact O-N 2.95Å; L141-T150 HydrophobicContact CD1-CG2 3.85Å; L141-T150 HydrophobicContact CD2-CG2 4.07Å; L141-T150 HydrophobicContact CG-CG2 3.73Å
151D90.4Very high90.3Very high49 Ų4951.3 Ų51.326%0.26228%0.281SS..  trans61.378.1173-157.511.5000115.9K39 H132 G153K39-D151 IonicContact NZ-OD1 2.75Å; K39-D151 PolarHBondContact NZ-OD1 2.86Å; H132-D151 PolarHBondContact CE1-O 3.11Å; H132-D151 VanDerWaalsContact CE1-O 3.23Å; H132-D151 PolarHBondContact NE2-O 2.91Å; D151-G153 PolarHBondContact O-N 2.76Å
152F91.7Very high89Confident8 Ų857.5 Ų57.54%0.03530%0.302CS..  trans-88.220.9176.8-70.7-101.3000113I61 V62 L65 I70 H132 F154 A155I61-F152 HydrophobicContact CG2-CB 4.35Å; I61-F152 HydrophobicContact CG2-CD1 3.88Å; I61-F152 HydrophobicContact CG2-CG 4.31Å; V62-F152 HydrophobicContact CG1-CB 3.88Å; V62-F152 HydrophobicContact CG1-CD2 4.29Å; V62-F152 HydrophobicContact CG1-CG 4.31Å; L65-F152 HydrophobicContact CD1-CD1 3.81Å; L65-F152 HydrophobicContact CD1-CE1 3.31Å; L65-F152 HydrophobicContact CD1-CE2 4.38Å; L65-F152 HydrophobicContact CD1-CZ 3.65Å; I70-F152 HydrophobicContact CD1-CZ 4.32Å; I70-F152 HydrophobicContact CG2-CE2 3.7Å; I70-F152 HydrophobicContact CG2-CZ 3.82Å; H132-F152 AromaticContact CD2-CD1 3.77Å; H132-F152 AromaticContact CD2-CE1 3.54Å; H132-F152 AromaticContact CD2-CZ 3.75Å; F152-F154 PolarHBondContact O-N 2.89Å; F152-F154 VanDerWaalsContact O-N 3.17Å; F152-A155 HydrophobicContact CB-CB 3.81Å; F152-A155 HydrophobicContact CD1-CB 3.82Å; F152-A155 HydrophobicContact CG-CB 4.31Å; F152-A155 WeakPolarHBondContact O-CB 3.36Å; F152-A155 PolarHBondContact O-N 2.94Å
153G86Confident87.8Confident10 Ų1065.2 Ų65.210%0.10333%0.331CS..THydrogen-bonded Turntrans-58.3-29.3-177.500000114.4D151D151-G153 PolarHBondContact O-N 2.76Å
154F86.2Confident87.1Confident68 Ų6864.9 Ų64.930%0.29833%0.329SS..THydrogen-bonded Turntrans-100.6-0.8176.8-67.5-61.8000114.5H132 R133 D134 F152 C170H132-F154 CarbonylContact O-C 3.13Å; R133-F154 HydrophobicContact CB-CB 4.48Å; R133-F154 PolarHBondContact NH1-O 2.86Å; D134-F154 HydrophobicContact CB-CB 4.17Å; D134-F154 HydrophobicContact CB-CD2 3.7Å; D134-F154 HydrophobicContact CB-CG 4.37Å; F152-F154 PolarHBondContact O-N 2.89Å; F152-F154 VanDerWaalsContact O-N 3.17Å; F154-C170 HydrophobicContact CD1-CB 3.56Å; F154-C170 HydrophobicContact CE1-CB 3.97Å; F154-C170 HydrophobicContact CG-CB 4.15Å
155A90.4Very high86.8Confident2 Ų265.5 Ų65.52%0.01732%0.317CS..  trans-61.7155.4-173.900000111.9R57 I61 V130 A131 H132 F152R57-A155 WeakPolarHBondContact CD-O 3.49Å; R57-A155 PolarHBondContact NH1-O 3.15Å; I61-A155 HydrophobicContact CD1-CB 3.61Å; V130-A155 HydrophobicContact CG1-CB 4.27Å; A131-A155 CarbonylContact O-C 3.51Å; A131-A155 WeakPolarHBondContact O-CA 3.43Å; A131-A155 WeakPolarHBondContact O-CB 3.47Å; H132-A155 VanDerWaalsContact O-CA 3.31Å; H132-A155 WeakPolarHBondContact O-CA 3.22Å; H132-A155 PolarHBondContact O-N 3.39Å; F152-A155 HydrophobicContact CB-CB 3.81Å; F152-A155 HydrophobicContact CD1-CB 3.82Å; F152-A155 HydrophobicContact CG-CB 4.31Å; F152-A155 WeakPolarHBondContact O-CB 3.36Å; F152-A155 PolarHBondContact O-N 2.94Å
156K89.8Confident86.1Confident20 Ų2057 Ų579%0.08728%0.28CS..EExtended strand (participates in β ladder)trans-132.2128.3-176.8-171.6174.5178.8-1760110.8V130 A131 L158 E164V130-K156 WeakPolarHBondContact CA-O 3.45Å; A131-K156 PolarHBondContact N-O 3.35Å; A131-K156 PolarHBondContact O-N 3.09Å; K156-L158 HydrophobicContact CD-CD2 4.33Å; K156-L158 HydrophobicContact CG-CD2 4.31Å; K156-E164 WeakPolarHBondContact CE-OE1 3.31Å; K156-E164 IonicContact NZ-OE1 2.91Å; K156-E164 PolarHBondContact NZ-OE1 3.46Å
157V90.4Very high85.3Confident62 Ų6260.1 Ų60.138%0.37629%0.291SS..EExtended strand (participates in β ladder)trans-75.4125.2165.1-1770000108R57 I61 G129R57-V157 HydrophobicContact CG-CG2 4.37Å; I61-V157 HydrophobicContact CD1-CG2 3.91Å; I61-V157 HydrophobicContact CG1-CG2 3.72Å; G129-V157 CarbonylContact O-C 3.51Å
158L87.7Confident84.4Confident21 Ų2162.6 Ų62.611%0.1131%0.307CS..PPolyproline II helixtrans-97.4133.6-179.3-57.5174.5000109.1G129 A131 K156 K160 K189G129-L158 WeakPolarHBondContact O-CB 3.45Å; G129-L158 PolarHBondContact O-N 3.48Å; A131-L158 HydrophobicContact CB-CD1 4.11Å; K156-L158 HydrophobicContact CD-CD2 4.33Å; K156-L158 HydrophobicContact CG-CD2 4.31Å; L158-K160 PolarHBondContact O-N 3.41Å; L158-K189 HydrophobicContact CD1-CD 4.13Å; L158-K189 VanDerWaalsContact CD1-CE 3.49Å; L158-K189 HydrophobicContact CD1-CG 3.71Å
159P81.5Confident83.6Confident43 Ų4366.4 Ų66.428%0.27932%0.323SS..PPolyproline II helixtrans-60.7136176.7-19.429.8000111.3S161 R162 E164P159-S161 VanDerWaalsContact C-N 3.27Å; P159-S161 PolarHBondContact O-N 3.32Å; P159-R162 HydrophobicContact CB-CG 4.06Å; P159-R162 HydrophobicContact CG-CG 4.36Å; P159-E164 WeakPolarHBondContact CD-OE2 3.04Å; P159-E164 HydrophobicContact CG-CB 4.01Å; P159-E164 WeakPolarHBondContact CG-OE2 3.39Å
160K73.6Confident82.7Confident210 Ų21067 Ų6791%0.91333%0.328SS*.THydrogen-bonded Turntrans-68.5-25.8176.7-66.2-173.9177.4-176.50113.3L158L158-K160 PolarHBondContact O-N 3.41Å
161S68.8Low82.1Confident116 Ų11666.9 Ų66.981%0.81133%0.331SS*.THydrogen-bonded Turntrans-95-11.1-168.9550000114.9P159P159-S161 VanDerWaalsContact C-N 3.27Å; P159-S161 PolarHBondContact O-N 3.32Å
162R70.3Confident82Confident166 Ų16666.3 Ų66.363%0.62633%0.331SS*.SBendtrans-152.8147.6-178.963.7179.9-171.5161.64.1111.4P159 E164P159-R162 HydrophobicContact CB-CG 4.06Å; P159-R162 HydrophobicContact CG-CG 4.36Å; R162-E164 IonicContact NH2-OE2 3.74Å; R162-E164 PolarHBondContact O-N 3.27Å; R162-E164 VanDerWaalsContact O-N 3.11Å
163R72.6Confident82.2Confident169 Ų16968.1 Ų68.164%0.63834%0.343SS*.  trans-68.4107.8166.7-164.1173.2-172.5-172.3-1.3107.9D187R163-D187 IonicContact CZ-OD2 2.76Å; R163-D187 VanDerWaalsContact CZ-OD2 3.25Å; R163-D187 IonicContact NE-OD2 3.52Å; R163-D187 PolarHBondContact NE-OD2 3.32Å; R163-D187 IonicContact NH2-OD2 3.97Å; R163-D187 PolarHBondContact NH2-OD2 3.32Å
164E80.1Confident82.7Confident55 Ų5568.1 Ų68.126%0.25734%0.342SS..PPolyproline II helixtrans-95121176.4-172.6179143.200109.7K156 P159 R162K156-E164 WeakPolarHBondContact CE-OE1 3.31Å; K156-E164 IonicContact NZ-OE1 2.91Å; K156-E164 PolarHBondContact NZ-OE1 3.46Å; P159-E164 WeakPolarHBondContact CD-OE2 3.04Å; P159-E164 HydrophobicContact CG-CB 4.01Å; P159-E164 WeakPolarHBondContact CG-OE2 3.39Å; R162-E164 IonicContact NH2-OE2 3.74Å; R162-E164 PolarHBondContact O-N 3.27Å; R162-E164 VanDerWaalsContact O-N 3.11Å
165L84.4Confident83.2Confident81 Ų8165.5 Ų65.542%0.42433%0.33SS..PPolyproline II helixtrans-83134.2169.7-59.6178.8000109.4P185 H186 D187L165-P185 HydrophobicContact CB-CB 3.83Å; L165-P185 HydrophobicContact CD1-CB 3.77Å; L165-P185 HydrophobicContact CG-CB 4.43Å; L165-H186 CarbonylContact C-O 3.6Å; L165-H186 VanDerWaalsContact CA-O 3.3Å; L165-H186 WeakPolarHBondContact CA-O 3.37Å; L165-D187 HydrophobicContact CD2-CB 4.43Å
166S78.2Confident83.5Confident2 Ų265.8 Ų65.81%0.01433%0.332CS..BIsolated β-bridgetrans-85.8143.8169.7-175.70000109.6R133 T168 P185 H186R133-S166 PolarHBondContact NH2-OG 2.95Å; S166-T168 PolarHBondContact OG-N 2.68Å; S166-P185 CarbonylContact O-C 3.56Å; S166-P185 VanDerWaalsContact O-CA 3.3Å; S166-P185 WeakPolarHBondContact O-CA 3.3Å; S166-H186 PolarHBondContact N-O 3.43Å; S166-H186 PolarHBondContact O-CE1 2.79Å; S166-H186 PolarHBondContact O-N 3.44Å; S166-H186 PolarHBondContact O-ND1 3.36Å; S166-H186 VanDerWaalsContact O-ND1 3.09Å
167Q79.6Confident83.9Confident143 Ų14364.9 Ų64.967%0.66833%0.328SS*.  trans-114.9-2.5172.4-67.4177.9-13.100111.7P185Q167-P185 HydrophobicContact CG-CB 4.12Å; Q167-P185 HydrophobicContact CG-CG 3.97Å
168T78.7Confident84.2Confident53 Ų5362 Ų6233%0.32531%0.311SS..  trans-89.1125.3-175.9-50.30000110.2R133 S166R133-T168 PolarHBondContact NH2-O 2.88Å; S166-T168 PolarHBondContact OG-N 2.68Å
169F81.3Confident84.6Confident93 Ų9361.3 Ų61.341%0.40831%0.307SS..  trans-74.6123.1164.2-176.5-96000109.7A176 V180 L181F169-A176 HydrophobicContact CE2-CB 4.19Å; F169-V180 HydrophobicContact CD2-CG1 3.52Å; F169-V180 WeakPolarHBondContact CD2-O 3.28Å; F169-V180 HydrophobicContact CE2-CG1 3.83Å; F169-L181 HydrophobicContact CE2-CD2 3.89Å; F169-L181 HydrophobicContact CZ-CD2 4.33Å
170C79.6Confident85.2Confident15 Ų1559.9 Ų59.910%0.10130%0.298CS..  trans-154.2161.4167.971.40000109.9R133 F154R133-C170 PolarHBondContact NH1-SG 2.84Å; R133-C170 VanDerWaalsContact NH1-SG 3.41Å; R133-C170 PolarHBondContact NH2-SG 3.29Å; F154-C170 HydrophobicContact CD1-CB 3.56Å; F154-C170 HydrophobicContact CE1-CB 3.97Å; F154-C170 HydrophobicContact CG-CB 4.15Å
171G82.6Confident86.2Confident19 Ų1951 Ų5120%0.19626%0.26CS..SBendtrans94.8-177.4-174.500000113D134D134-G171 WeakPolarHBondContact OD1-CA 3.36Å
172S89.7Confident87.4Confident37 Ų3750.2 Ų50.226%0.25924%0.243SC..  trans-81.4126.1-176.2-70.20000113.3D134 K136 A174 Y175 A176D134-S172 PolarHBondContact OD1-N 3.13Å; K136-S172 WeakPolarHBondContact CD-OG 3.42Å; K136-S172 PolarHBondContact NZ-OG 2.76Å; K136-S172 VanDerWaalsContact NZ-OG 3.14Å; S172-A174 VanDerWaalsContact C-N 3.34Å; S172-A174 PolarHBondContact O-N 3.3Å; S172-Y175 PolarHBondContact O-N 3.19Å; S172-A176 PolarHBondContact O-N 2.93Å
173T94.1Very high88.4Confident46 Ų4644.3 Ų44.328%0.28224%0.235SC..G310 helixtrans-48.7-47.9-178.1-55.80000113.5Y175 A176 L181 I215 M218T173-Y175 PolarHBondContact O-N 3.41Å; T173-Y175 VanDerWaalsContact O-N 3.08Å; T173-A176 WeakPolarHBondContact O-CB 3.21Å; T173-A176 PolarHBondContact O-N 3.15Å; T173-L181 HydrophobicContact CG2-CD2 3.8Å; T173-I215 HydrophobicContact CG2-CG1 4.31Å; T173-M218 HydrophobicContact CG2-SD 4.42Å; T173-M218 WeakPolarHBondContact O-CE 3.43Å
174A96.5Very high89.3Confident10 Ų1040 Ų408%0.08322%0.223CC..G310 helixtrans-57.1-26.1-179.200000114.5S172 L208 D212S172-A174 VanDerWaalsContact C-N 3.34Å; S172-A174 PolarHBondContact O-N 3.3Å; A174-L208 HydrophobicContact CB-CD1 3.77Å; A174-L208 HydrophobicContact CB-CD2 4.06Å; A174-D212 HydrophobicContact CB-CB 4.06Å
175Y97.9Very high89.9Confident13 Ų1340.1 Ų40.15%0.05123%0.229CC..G310 helixtrans-105.3-1-177.4-60.9-93.9000112.7L135 K136 C137 E138 S172 T173 S195 V198 V199L135-Y175 WeakPolarHBondContact O-CB 3.42Å; K136-Y175 HydrophobicContact CB-CD1 3.91Å; K136-Y175 HydrophobicContact CB-CD2 3.6Å; K136-Y175 HydrophobicContact CB-CE1 3.81Å; K136-Y175 HydrophobicContact CB-CE2 3.45Å; K136-Y175 VanDerWaalsContact CB-CE2 3.45Å; K136-Y175 HydrophobicContact CB-CG 3.81Å; C137-Y175 PolarHBondContact N-OH 2.99Å; C137-Y175 PolarHBondContact SG-OH 2.83Å; C137-Y175 VanDerWaalsContact SG-OH 3.33Å; E138-Y175 PolarHBondContact OE2-OH 3.34Å; E138-Y175 VanDerWaalsContact OE2-OH 3.12Å; S172-Y175 PolarHBondContact O-N 3.19Å; T173-Y175 PolarHBondContact O-N 3.41Å; T173-Y175 VanDerWaalsContact O-N 3.08Å; Y175-S195 WeakPolarHBondContact O-CA 3.5Å; Y175-S195 WeakPolarHBondContact O-CB 3.34Å; Y175-S195 PolarHBondContact O-OG 3.48Å; Y175-V198 HydrophobicContact CD1-CB 3.78Å; Y175-V198 HydrophobicContact CD1-CG1 3.39Å; Y175-V198 HydrophobicContact CE1-CB 4.42Å; Y175-V198 HydrophobicContact CE1-CG1 3.72Å; Y175-V198 HydrophobicContact CG-CG1 4.11Å; Y175-V199 HydrophobicContact CD1-CG2 4.02Å; Y175-V199 HydrophobicContact CE1-CG2 3.83Å
176A97.1Very high90.2Very high8 Ų836.4 Ų36.47%0.06621%0.209CC..  trans-80.3140.9-175.100000111.9F169 S172 T173 V180 L181 W194 Q222F169-A176 HydrophobicContact CE2-CB 4.19Å; S172-A176 PolarHBondContact O-N 2.93Å; T173-A176 WeakPolarHBondContact O-CB 3.21Å; T173-A176 PolarHBondContact O-N 3.15Å; A176-V180 HydrophobicContact CB-CB 4.43Å; A176-V180 HydrophobicContact CB-CG1 4.27Å; A176-L181 HydrophobicContact CB-CD2 3.91Å; A176-L181 HydrophobicContact CB-CG 3.92Å; A176-W194 PolarHBondContact O-NE1 3.4Å; A176-W194 VanDerWaalsContact O-NE1 3.09Å; A176-Q222 PolarHBondContact O-NE2 2.83Å
177A97.3Very high91Very high1 Ų137.2 Ų37.21%0.00821%0.213CC..  trans-71.6156.2175.600000111.9E179 V180 L181 W194A177-E179 VanDerWaalsContact C-N 3.27Å; A177-E179 VanDerWaalsContact CB-CD 3.42Å; A177-E179 VanDerWaalsContact CB-OE1 3.26Å; A177-E179 WeakPolarHBondContact CB-OE1 3.32Å; A177-E179 VanDerWaalsContact CB-OE2 3.3Å; A177-E179 WeakPolarHBondContact CB-OE2 3.5Å; A177-E179 PolarHBondContact O-N 2.75Å; A177-V180 HydrophobicContact CB-CG2 4.17Å; A177-V180 WeakPolarHBondContact O-CB 3.28Å; A177-V180 PolarHBondContact O-N 3.43Å; A177-L181 PolarHBondContact O-N 2.97Å; A177-L181 VanDerWaalsContact O-N 3.08Å; A177-W194 VanDerWaalsContact CA-CD1 3.47Å; A177-W194 HydrophobicContact CB-CB 3.75Å; A177-W194 HydrophobicContact CB-CD2 3.94Å; A177-W194 HydrophobicContact CB-CG 3.55Å
178P97.1Very high91.7Very high2 Ų230.5 Ų30.51%0.01318%0.182CC..Hα-helixtrans-54.2-43.3-178-20.125.4000112.8V180 L181 Q182 W194 L219 Q222 P248P178-V180 VanDerWaalsContact C-N 3.25Å; P178-V180 PolarHBondContact O-N 3.06Å; P178-L181 PolarHBondContact O-N 2.57Å; P178-Q182 WeakPolarHBondContact O-CB 3.48Å; P178-Q182 VanDerWaalsContact O-CG 3.23Å; P178-Q182 WeakPolarHBondContact O-CG 3.35Å; P178-Q182 PolarHBondContact O-N 3.22Å; P178-W194 HydrophobicContact CG-CH2 3.79Å; P178-W194 HydrophobicContact CG-CZ2 4.22Å; P178-W194 HydrophobicContact CG-CZ3 3.96Å; P178-L219 HydrophobicContact CB-CD2 3.92Å; P178-Q222 HydrophobicContact CG-CB 4.16Å; P178-Q222 VanDerWaalsContact CG-OE1 3.27Å; P178-P248 HydrophobicContact CG-CB 4.18Å
179E96.1Very high92.6Very high6 Ų630.9 Ų30.93%0.02818%0.18CC..Hα-helixtrans-66-29.1-179.268.6-82.1-17000113.1A177 G183 I184 H186 M250 R253A177-E179 VanDerWaalsContact C-N 3.27Å; A177-E179 VanDerWaalsContact CB-CD 3.42Å; A177-E179 VanDerWaalsContact CB-OE1 3.26Å; A177-E179 WeakPolarHBondContact CB-OE1 3.32Å; A177-E179 VanDerWaalsContact CB-OE2 3.3Å; A177-E179 WeakPolarHBondContact CB-OE2 3.5Å; A177-E179 PolarHBondContact O-N 2.75Å; E179-G183 PolarHBondContact O-N 2.78Å; E179-I184 HydrophobicContact CB-CD1 3.63Å; E179-I184 HydrophobicContact CB-CG1 3.56Å; E179-I184 VanDerWaalsContact O-CG1 3.26Å; E179-I184 WeakPolarHBondContact O-CG1 3.46Å; E179-I184 PolarHBondContact O-N 3.49Å; E179-I184 VanDerWaalsContact O-N 3.09Å; E179-H186 HydrophobicContact CB-CB 4.12Å; E179-H186 HydrophobicContact CG-CB 3.36Å; E179-M250 HydrophobicContact CG-CB 4.47Å; E179-M250 HydrophobicContact CG-SD 4.04Å; E179-R253 IonicContact OE1-CZ 2.88Å; E179-R253 IonicContact OE1-NH1 3.19Å; E179-R253 PolarHBondContact OE1-NH1 3.22Å; E179-R253 IonicContact OE1-NH2 2.78Å; E179-R253 PolarHBondContact OE1-NH2 3.49Å; E179-R253 IonicContact OE2-CZ 3.27Å; E179-R253 IonicContact OE2-NH1 3.84Å; E179-R253 IonicContact OE2-NH2 3.88Å; E179-R253 PolarHBondContact OE2-NH2 3.01Å
180V94.7Very high93.3Very high13 Ų1327.7 Ų27.78%0.07917%0.165CC..Hα-helixtrans-73-48.7175.9178.90000109.2F169 A176 A177 P178 Q182 G183F169-V180 HydrophobicContact CD2-CG1 3.52Å; F169-V180 WeakPolarHBondContact CD2-O 3.28Å; F169-V180 HydrophobicContact CE2-CG1 3.83Å; A176-V180 HydrophobicContact CB-CB 4.43Å; A176-V180 HydrophobicContact CB-CG1 4.27Å; A177-V180 HydrophobicContact CB-CG2 4.17Å; A177-V180 WeakPolarHBondContact O-CB 3.28Å; A177-V180 PolarHBondContact O-N 3.43Å; P178-V180 VanDerWaalsContact C-N 3.25Å; P178-V180 PolarHBondContact O-N 3.06Å; V180-Q182 VanDerWaalsContact C-N 3.27Å; V180-Q182 PolarHBondContact O-N 3.33Å; V180-G183 PolarHBondContact O-N 2.75Å
181L94.3Very high94.2Very high24 Ų2427.3 Ų27.313%0.12616%0.164CC..Hα-helixtrans-60.6-34.2177.7-68.1169000112.9F169 T173 A176 A177 P178 G183 I215 M218 L219F169-L181 HydrophobicContact CE2-CD2 3.89Å; F169-L181 HydrophobicContact CZ-CD2 4.33Å; T173-L181 HydrophobicContact CG2-CD2 3.8Å; A176-L181 HydrophobicContact CB-CD2 3.91Å; A176-L181 HydrophobicContact CB-CG 3.92Å; A177-L181 PolarHBondContact O-N 2.97Å; A177-L181 VanDerWaalsContact O-N 3.08Å; P178-L181 PolarHBondContact O-N 2.57Å; L181-G183 VanDerWaalsContact C-N 3.27Å; L181-G183 PolarHBondContact O-N 2.84Å; L181-I215 HydrophobicContact CB-CG2 4.44Å; L181-M218 HydrophobicContact CD1-CE 4.33Å; L181-M218 HydrophobicContact CD1-SD 3.76Å; L181-L219 HydrophobicContact CB-CD2 3.99Å; L181-L219 HydrophobicContact CD1-CD2 4.11Å
182Q93Very high94.9Very high98 Ų9826.5 Ų26.546%0.45816%0.155SC..THydrogen-bonded Turntrans-79-7.9176.7-69.7171.1-10.300113.5P178 V180 I184 L219P178-Q182 WeakPolarHBondContact O-CB 3.48Å; P178-Q182 VanDerWaalsContact O-CG 3.23Å; P178-Q182 WeakPolarHBondContact O-CG 3.35Å; P178-Q182 PolarHBondContact O-N 3.22Å; V180-Q182 VanDerWaalsContact C-N 3.27Å; V180-Q182 PolarHBondContact O-N 3.33Å; Q182-I184 HydrophobicContact CB-CG2 4.11Å; Q182-I184 PolarHBondContact O-N 3.03Å; Q182-L219 HydrophobicContact CG-CD1 3.91Å; Q182-L219 HydrophobicContact CG-CD2 3.95Å
183G91.2Very high95.4Very high43 Ų4324.7 Ų24.744%0.44314%0.143SC..THydrogen-bonded Turntrans67.422.5-178.100000113.9E179 V180 L181E179-G183 PolarHBondContact O-N 2.78Å; V180-G183 PolarHBondContact O-N 2.75Å; L181-G183 VanDerWaalsContact C-N 3.27Å; L181-G183 PolarHBondContact O-N 2.84Å
184I91.9Very high95.6Very high77 Ų7722.5 Ų22.540%0.39513%0.13SC..  trans-86.1154.3179.465.3170.3000111E179 Q182 H186E179-I184 HydrophobicContact CB-CD1 3.63Å; E179-I184 HydrophobicContact CB-CG1 3.56Å; E179-I184 VanDerWaalsContact O-CG1 3.26Å; E179-I184 WeakPolarHBondContact O-CG1 3.46Å; E179-I184 PolarHBondContact O-N 3.49Å; E179-I184 VanDerWaalsContact O-N 3.09Å; Q182-I184 HydrophobicContact CB-CG2 4.11Å; Q182-I184 PolarHBondContact O-N 3.03Å; I184-H186 PolarHBondContact O-N 3.17Å; I184-H186 PolarHBondContact O-ND1 2.8Å
185P92.1Very high95.7Very high58 Ų5822.5 Ų22.538%0.37713%0.129SC..  trans-57.4120.7174.8-22.232.1000111.5L165 S166 Q167L165-P185 HydrophobicContact CB-CB 3.83Å; L165-P185 HydrophobicContact CD1-CB 3.77Å; L165-P185 HydrophobicContact CG-CB 4.43Å; S166-P185 CarbonylContact O-C 3.56Å; S166-P185 VanDerWaalsContact O-CA 3.3Å; S166-P185 WeakPolarHBondContact O-CA 3.3Å; Q167-P185 HydrophobicContact CG-CB 4.12Å; Q167-P185 HydrophobicContact CG-CG 3.97Å
186H91.2Very high95.7Very high4 Ų422 Ų222%0.01913%0.127CC..BIsolated β-bridgetrans-135.5156.3-171.160.4-90.2000113.6L165 S166 E179 I184 S188 M250L165-H186 CarbonylContact C-O 3.6Å; L165-H186 VanDerWaalsContact CA-O 3.3Å; L165-H186 WeakPolarHBondContact CA-O 3.37Å; S166-H186 PolarHBondContact N-O 3.43Å; S166-H186 PolarHBondContact O-CE1 2.79Å; S166-H186 PolarHBondContact O-N 3.44Å; S166-H186 PolarHBondContact O-ND1 3.36Å; S166-H186 VanDerWaalsContact O-ND1 3.09Å; E179-H186 HydrophobicContact CB-CB 4.12Å; E179-H186 HydrophobicContact CG-CB 3.36Å; I184-H186 PolarHBondContact O-N 3.17Å; I184-H186 PolarHBondContact O-ND1 2.8Å; H186-S188 PolarHBondContact O-N 3.49Å; H186-M250 HydrophobicContact CB-SD 3.84Å
187D94.3Very high95.8Very high18 Ų1821.6 Ų21.610%0.09612%0.124CC..  trans-82111.3173.4-170.4-32.5000109.7R163 L165 K189 K190 G191 M250R163-D187 IonicContact CZ-OD2 2.76Å; R163-D187 VanDerWaalsContact CZ-OD2 3.25Å; R163-D187 IonicContact NE-OD2 3.52Å; R163-D187 PolarHBondContact NE-OD2 3.32Å; R163-D187 IonicContact NH2-OD2 3.97Å; R163-D187 PolarHBondContact NH2-OD2 3.32Å; L165-D187 HydrophobicContact CD2-CB 4.43Å; D187-K189 PolarHBondContact O-N 3.35Å; D187-K189 VanDerWaalsContact O-N 3.15Å; D187-K189 WeakPolarHBondContact OD1-CB 3.4Å; D187-K189 PolarHBondContact OD1-N 2.8Å; D187-K190 HydrophobicContact CB-CB 4.16Å; D187-K190 HydrophobicContact CB-CG 3.91Å; D187-K190 PolarHBondContact O-N 3.43Å; D187-G191 PolarHBondContact O-N 3.29Å; D187-M250 HydrophobicContact CB-CE 4.38Å; D187-M250 HydrophobicContact CB-SD 3.75Å; D187-M250 PolarHBondContact N-SD 3.35Å
188S95.3Very high95.9Very high2 Ų221.5 Ų21.51%0.01412%0.123CC..Hα-helixtrans-59.8-26.9-178.4-58.10000113.4H186 G191 D192H186-S188 PolarHBondContact O-N 3.49Å; S188-G191 PolarHBondContact O-N 3.02Å; S188-D192 PolarHBondContact O-N 3.48Å
189K96.6Very high96Very high62 Ų6221.4 Ų21.427%0.2712%0.123SC..Hα-helixtrans-69.7-39.2175.4-65.2-173.2172.9-170.20111.6H126 L158 D187 G191 D192 V193H126-K189 HydrophobicContact CB-CD 4.05Å; H126-K189 VanDerWaalsContact CE1-CA 3.49Å; H126-K189 WeakPolarHBondContact CE1-CA 3.46Å; H126-K189 VanDerWaalsContact CE1-CB 3.47Å; H126-K189 WeakPolarHBondContact CE1-CB 3.37Å; H126-K189 PolarHBondContact CE1-O 3.45Å; H126-K189 WeakPolarHBondContact O-CE 3.39Å; H126-K189 PolarHBondContact O-NZ 3.04Å; L158-K189 HydrophobicContact CD1-CD 4.13Å; L158-K189 VanDerWaalsContact CD1-CE 3.49Å; L158-K189 HydrophobicContact CD1-CG 3.71Å; D187-K189 PolarHBondContact O-N 3.35Å; D187-K189 VanDerWaalsContact O-N 3.15Å; D187-K189 WeakPolarHBondContact OD1-CB 3.4Å; D187-K189 PolarHBondContact OD1-N 2.8Å; K189-G191 VanDerWaalsContact C-N 3.29Å; K189-D192 PolarHBondContact O-N 2.9Å; K189-V193 WeakPolarHBondContact O-CG2 3.45Å; K189-V193 PolarHBondContact O-N 3.4Å
190K97.6Very high96.1Very high25 Ų2521.1 Ų21.111%0.10912%0.121CC..Hα-helixtrans-68.8-31.7174.6-62.9-62.4-169.2820111.5D187 V193 W194 M250 R253 P254D187-K190 HydrophobicContact CB-CB 4.16Å; D187-K190 HydrophobicContact CB-CG 3.91Å; D187-K190 PolarHBondContact O-N 3.43Å; K190-V193 PolarHBondContact O-N 2.92Å; K190-W194 PolarHBondContact O-N 2.88Å; K190-W194 VanDerWaalsContact O-N 3.15Å; K190-M250 HydrophobicContact CB-CG 3.56Å; K190-M250 HydrophobicContact CB-SD 4.34Å; K190-M250 HydrophobicContact CG-CG 3.84Å; K190-M250 PolarHBondContact NZ-O 2.96Å; K190-R253 WeakPolarHBondContact CE-O 3.32Å; K190-R253 PolarHBondContact NZ-O 3.02Å; K190-R253 WeakPolarHBondContact O-CD 3.41Å; K190-R253 PolarHBondContact O-NH1 3.47Å; K190-P254 WeakPolarHBondContact CD-O 3.29Å
191G97.5Very high96.3Very high8 Ų821 Ų218%0.08212%0.12CC..Hα-helixtrans-59.7-49.2169.700000112.3D187 S188 K189 V193 W194 S195D187-G191 PolarHBondContact O-N 3.29Å; S188-G191 PolarHBondContact O-N 3.02Å; K189-G191 VanDerWaalsContact C-N 3.29Å; G191-V193 VanDerWaalsContact C-N 3.31Å; G191-V193 PolarHBondContact O-N 3.19Å; G191-W194 WeakPolarHBondContact O-CB 3.42Å; G191-W194 PolarHBondContact O-N 2.78Å; G191-W194 VanDerWaalsContact O-N 3.17Å; G191-S195 PolarHBondContact O-N 2.89Å; G191-S195 PolarHBondContact O-OG 3.27Å
192D98.4Very high96.5Very high1 Ų120.4 Ų20.41%0.00512%0.116CC..Hα-helixtrans-56.8-44.1175.5-73.6-18.5000111.9I122 H126 A131 H132 R133 L135 S188 K189 W194 S195 M196I122-D192 HydrophobicContact CG2-CB 4.39Å; H126-D192 IonicContact CD2-OD2 2.65Å; H126-D192 IonicContact CE1-OD2 3.7Å; H126-D192 IonicContact NE2-OD2 2.84Å; H126-D192 PolarHBondContact NE2-OD2 3.26Å; A131-D192 WeakPolarHBondContact CA-OD2 3.4Å; H132-D192 PolarHBondContact N-OD1 3.45Å; H132-D192 PolarHBondContact N-OD2 3.18Å; R133-D192 WeakPolarHBondContact CA-OD1 3.28Å; R133-D192 PolarHBondContact N-OD1 3.33Å; L135-D192 HydrophobicContact CD1-CB 3.78Å; S188-D192 PolarHBondContact O-N 3.48Å; K189-D192 PolarHBondContact O-N 2.9Å; D192-W194 VanDerWaalsContact C-N 3.31Å; D192-W194 PolarHBondContact O-N 3.13Å; D192-S195 PolarHBondContact O-N 3.16Å; D192-M196 VanDerWaalsContact O-CG 3.24Å; D192-M196 WeakPolarHBondContact O-CG 3.49Å; D192-M196 PolarHBondContact O-N 2.99Å
193V98.8Very high96.8Very high0 Ų015.7 Ų15.70%010%0.095CC..Hα-helixtrans-59.6-40.2178.4172.50000112K189 K190 G191 M196 G197 L245 R253 P254 I256 V259K189-V193 WeakPolarHBondContact O-CG2 3.45Å; K189-V193 PolarHBondContact O-N 3.4Å; K190-V193 PolarHBondContact O-N 2.92Å; G191-V193 VanDerWaalsContact C-N 3.31Å; G191-V193 PolarHBondContact O-N 3.19Å; V193-M196 WeakPolarHBondContact O-CB 3.35Å; V193-G197 PolarHBondContact O-N 3.34Å; V193-G197 VanDerWaalsContact O-N 3.16Å; V193-L245 HydrophobicContact CG1-CD2 3.56Å; V193-R253 HydrophobicContact CG1-CG 4.1Å; V193-P254 HydrophobicContact CG1-CG 4.44Å; V193-I256 HydrophobicContact CG2-CB 4.44Å; V193-V259 HydrophobicContact CG1-CG2 4.18Å
194W98.8Very high97.1Very high0 Ų014 Ų140%08%0.076CC..Hα-helixtrans-63.7-50.5174.5175.7-80.4000111.6A176 A177 P178 K190 G191 D192 M196 G197 V198 F210 Q222 L246A176-W194 PolarHBondContact O-NE1 3.4Å; A176-W194 VanDerWaalsContact O-NE1 3.09Å; A177-W194 VanDerWaalsContact CA-CD1 3.47Å; A177-W194 HydrophobicContact CB-CB 3.75Å; A177-W194 HydrophobicContact CB-CD2 3.94Å; A177-W194 HydrophobicContact CB-CG 3.55Å; P178-W194 HydrophobicContact CG-CH2 3.79Å; P178-W194 HydrophobicContact CG-CZ2 4.22Å; P178-W194 HydrophobicContact CG-CZ3 3.96Å; K190-W194 PolarHBondContact O-N 2.88Å; K190-W194 VanDerWaalsContact O-N 3.15Å; G191-W194 WeakPolarHBondContact O-CB 3.42Å; G191-W194 PolarHBondContact O-N 2.78Å; G191-W194 VanDerWaalsContact O-N 3.17Å; D192-W194 VanDerWaalsContact C-N 3.31Å; D192-W194 PolarHBondContact O-N 3.13Å; W194-M196 PolarHBondContact O-N 3.47Å; W194-G197 WeakPolarHBondContact O-CA 3.46Å; W194-G197 PolarHBondContact O-N 3.31Å; W194-V198 PolarHBondContact O-N 3.38Å; W194-F210 HydrophobicContact CH2-CE2 4.02Å; W194-F210 HydrophobicContact CH2-CZ 4.27Å; W194-F210 HydrophobicContact CZ2-CD2 4.19Å; W194-F210 AromaticContact CZ2-CE2 3.55Å; W194-F210 HydrophobicContact CZ2-CE2 3.55Å; W194-F210 HydrophobicContact CZ2-CZ 4.26Å; W194-Q222 HydrophobicContact CH2-CB 3.95Å; W194-Q222 HydrophobicContact CH2-CG 3.88Å; W194-Q222 HydrophobicContact CZ2-CB 4.25Å; W194-Q222 HydrophobicContact CZ2-CG 3.66Å; W194-L246 HydrophobicContact CD2-CD2 3.96Å; W194-L246 HydrophobicContact CE3-CD2 4.27Å; W194-L246 HydrophobicContact CG-CD2 4.35Å; W194-L246 HydrophobicContact CH2-CB 4.41Å; W194-L246 HydrophobicContact CZ2-CD2 4.19Å; W194-L246 HydrophobicContact CZ3-CB 4.24Å; W194-L246 VanDerWaalsContact CZ3-O 3.29Å; W194-L246 WeakPolarHBondContact CZ3-O 3.47Å
195S98.8Very high97.4Very high10 Ų1010.9 Ų10.97%0.076%0.06CC..Hα-helixtrans-59.5-36.7-179.9-58.50000111.9L135 Y175 G191 D192 G197 V198 V199L135-S195 WeakPolarHBondContact O-CB 3.22Å; Y175-S195 WeakPolarHBondContact O-CA 3.5Å; Y175-S195 WeakPolarHBondContact O-CB 3.34Å; Y175-S195 PolarHBondContact O-OG 3.48Å; G191-S195 PolarHBondContact O-N 2.89Å; G191-S195 PolarHBondContact O-OG 3.27Å; D192-S195 PolarHBondContact O-N 3.16Å; S195-G197 VanDerWaalsContact C-N 3.34Å; S195-G197 PolarHBondContact O-N 3.12Å; S195-V198 PolarHBondContact O-N 2.9Å; S195-V199 WeakPolarHBondContact O-CG2 3.3Å; S195-V199 PolarHBondContact O-N 3.43Å
196M98.8Very high97.6Very high1 Ų110.2 Ų10.21%0.0056%0.06CC..Hα-helixtrans-60-41.4170.4-71.2178.565.100112.5F115 M118 V119 I122 L135 D192 V193 W194 V198 V199 L200 I256F115-M196 HydrophobicContact CE2-CB 3.94Å; F115-M196 HydrophobicContact CE2-CE 3.94Å; F115-M196 WeakPolarHBondContact CE2-O 3.48Å; F115-M196 HydrophobicContact CZ-CB 4.21Å; F115-M196 HydrophobicContact CZ-CE 3.81Å; M118-M196 HydrophobicContact CB-CE 4.37Å; M118-M196 HydrophobicContact CG-CE 3.76Å; M118-M196 HydrophobicContact CG-CG 4.23Å; M118-M196 HydrophobicContact CG-SD 4.45Å; M118-M196 HydrophobicContact SD-CB 4.21Å; M118-M196 HydrophobicContact SD-CE 4.12Å; M118-M196 HydrophobicContact SD-CG 3.76Å; V119-M196 HydrophobicContact CB-CE 4.25Å; V119-M196 HydrophobicContact CG2-CE 3.47Å; V119-M196 VanDerWaalsContact CG2-CE 3.47Å; I122-M196 HydrophobicContact CB-SD 3.86Å; I122-M196 HydrophobicContact CG1-CE 4.49Å; I122-M196 HydrophobicContact CG1-CG 4.49Å; I122-M196 HydrophobicContact CG1-SD 3.7Å; I122-M196 HydrophobicContact CG2-SD 3.86Å; L135-M196 HydrophobicContact CD1-CG 3.67Å; L135-M196 HydrophobicContact CD1-SD 4.4Å; D192-M196 VanDerWaalsContact O-CG 3.24Å; D192-M196 WeakPolarHBondContact O-CG 3.49Å; D192-M196 PolarHBondContact O-N 2.99Å; V193-M196 WeakPolarHBondContact O-CB 3.35Å; W194-M196 PolarHBondContact O-N 3.47Å; M196-V198 VanDerWaalsContact C-N 3.32Å; M196-V198 PolarHBondContact O-N 3.23Å; M196-V199 PolarHBondContact O-N 3.15Å; M196-L200 PolarHBondContact O-N 3.17Å; M196-I256 HydrophobicContact CE-CD1 3.9Å; M196-I256 HydrophobicContact SD-CD1 3.78Å
197G98.8Very high97.9Very high0 Ų012.6 Ų12.60%08%0.077CC..Hα-helixtrans-59.1-41.7173.600000112.7V193 W194 S195 L200 Y201 L242V193-G197 PolarHBondContact O-N 3.34Å; V193-G197 VanDerWaalsContact O-N 3.16Å; W194-G197 WeakPolarHBondContact O-CA 3.46Å; W194-G197 PolarHBondContact O-N 3.31Å; S195-G197 VanDerWaalsContact C-N 3.34Å; S195-G197 PolarHBondContact O-N 3.12Å; G197-L200 PolarHBondContact O-N 3.35Å; G197-Y201 WeakPolarHBondContact O-CB 3.09Å; G197-Y201 PolarHBondContact O-N 2.73Å; G197-L242 WeakPolarHBondContact O-CD2 3.1Å
198V98.8Very high98Very high0 Ų014.7 Ų14.70%09%0.088CC..Hα-helixtrans-63.7-45.6175-179.40000110.7Y175 W194 S195 M196 L200 Y201 V202 L208 P209 L246Y175-V198 HydrophobicContact CD1-CB 3.78Å; Y175-V198 HydrophobicContact CD1-CG1 3.39Å; Y175-V198 HydrophobicContact CE1-CB 4.42Å; Y175-V198 HydrophobicContact CE1-CG1 3.72Å; Y175-V198 HydrophobicContact CG-CG1 4.11Å; W194-V198 PolarHBondContact O-N 3.38Å; S195-V198 PolarHBondContact O-N 2.9Å; M196-V198 VanDerWaalsContact C-N 3.32Å; M196-V198 PolarHBondContact O-N 3.23Å; V198-L200 PolarHBondContact O-N 3.28Å; V198-Y201 PolarHBondContact O-N 3.24Å; V198-V202 HydrophobicContact CG1-CG2 4.49Å; V198-V202 WeakPolarHBondContact O-CG2 3.47Å; V198-V202 PolarHBondContact O-N 3.22Å; V198-L208 HydrophobicContact CG1-CD2 4.05Å; V198-P209 HydrophobicContact CB-CG 4.46Å; V198-P209 HydrophobicContact CG1-CG 4.08Å; V198-P209 HydrophobicContact CG2-CG 4.19Å; V198-L246 HydrophobicContact CG2-CD2 3.82Å
199V98.8Very high98.1Very high0 Ų015.3 Ų15.30%09%0.092CC..Hα-helixtrans-61.7-43177.3177.10000111.9M118 Y175 S195 M196 Y201 V202 M203M118-V199 HydrophobicContact CE-CB 4.3Å; M118-V199 HydrophobicContact CE-CG1 3.74Å; Y175-V199 HydrophobicContact CD1-CG2 4.02Å; Y175-V199 HydrophobicContact CE1-CG2 3.83Å; S195-V199 WeakPolarHBondContact O-CG2 3.3Å; S195-V199 PolarHBondContact O-N 3.43Å; M196-V199 PolarHBondContact O-N 3.15Å; V199-Y201 VanDerWaalsContact C-N 3.32Å; V199-Y201 PolarHBondContact O-N 3.17Å; V199-V202 PolarHBondContact O-N 3.38Å; V199-M203 HydrophobicContact CG1-CE 4.32Å; V199-M203 WeakPolarHBondContact O-CG 3.43Å; V199-M203 PolarHBondContact O-N 3.42Å
200L98.8Very high98.2Very high0 Ų012.8 Ų12.80%08%0.08CC..Hα-helixtrans-60.8-42.9175.7179.256.9000111.8A111 F115 M196 G197 V198 M203 L204 L241 L242 L245 W264A111-L200 HydrophobicContact CB-CD1 4.36Å; F115-L200 HydrophobicContact CB-CD1 4.11Å; F115-L200 HydrophobicContact CD1-CD2 4.1Å; F115-L200 HydrophobicContact CD2-CB 3.74Å; F115-L200 HydrophobicContact CD2-CD1 4.13Å; F115-L200 HydrophobicContact CD2-CD2 4.17Å; F115-L200 HydrophobicContact CD2-CG 4.22Å; F115-L200 HydrophobicContact CE1-CD2 4.11Å; F115-L200 HydrophobicContact CE2-CB 3.75Å; F115-L200 HydrophobicContact CE2-CD2 4.16Å; F115-L200 HydrophobicContact CE2-CG 4.45Å; F115-L200 HydrophobicContact CG-CB 4.44Å; F115-L200 HydrophobicContact CG-CD1 4.06Å; F115-L200 HydrophobicContact CG-CD2 4.14Å; F115-L200 HydrophobicContact CG-CG 4.44Å; F115-L200 HydrophobicContact CZ-CB 4.46Å; F115-L200 HydrophobicContact CZ-CD2 4.14Å; M196-L200 PolarHBondContact O-N 3.17Å; G197-L200 PolarHBondContact O-N 3.35Å; V198-L200 PolarHBondContact O-N 3.28Å; L200-M203 HydrophobicContact CB-CE 4.38Å; L200-M203 HydrophobicContact CD1-CE 3.89Å; L200-M203 PolarHBondContact O-N 2.9Å; L200-L204 HydrophobicContact CD1-CD1 3.77Å; L200-L204 HydrophobicContact CD1-CG 4.23Å; L200-L204 HydrophobicContact CG-CD1 3.91Å; L200-L204 WeakPolarHBondContact O-CD1 3.48Å; L200-L204 WeakPolarHBondContact O-CG 3.47Å; L200-L204 PolarHBondContact O-N 3.4Å; L200-L204 VanDerWaalsContact O-N 3.14Å; L200-L241 HydrophobicContact CD2-CD2 4.12Å; L200-L242 HydrophobicContact CB-CD2 3.95Å; L200-L242 HydrophobicContact CD2-CD2 3.85Å; L200-L242 HydrophobicContact CD2-CG 4Å; L200-L242 HydrophobicContact CG-CD2 3.82Å; L200-L242 HydrophobicContact CG-CG 4.27Å; L200-L245 HydrophobicContact CD2-CD1 4.15Å; L200-W264 HydrophobicContact CD1-CH2 3.73Å; L200-W264 HydrophobicContact CD1-CZ3 4.25Å; L200-W264 HydrophobicContact CD2-CH2 4.24Å; L200-W264 HydrophobicContact CD2-CZ3 4.09Å
201Y98.8Very high98Very high11 Ų1113.8 Ų13.84%0.0439%0.087CC..Hα-helixtrans-61.4-46.3176.2-173.3-82.1000111.4G197 V198 V199 M203 L204 C205 S207 P209 V226 S227 F228G197-Y201 WeakPolarHBondContact O-CB 3.09Å; G197-Y201 PolarHBondContact O-N 2.73Å; V198-Y201 PolarHBondContact O-N 3.24Å; V199-Y201 VanDerWaalsContact C-N 3.32Å; V199-Y201 PolarHBondContact O-N 3.17Å; Y201-M203 VanDerWaalsContact C-N 3.33Å; Y201-M203 PolarHBondContact O-N 3.05Å; Y201-L204 PolarHBondContact O-N 3.14Å; Y201-L204 VanDerWaalsContact O-N 3.09Å; Y201-C205 HydrophobicContact CD1-CB 3.89Å; Y201-C205 HydrophobicContact CE1-CB 3.5Å; Y201-C205 VanDerWaalsContact CZ-SG 3.59Å; Y201-C205 VanDerWaalsContact O-CB 3.28Å; Y201-C205 WeakPolarHBondContact O-CB 3.43Å; Y201-C205 PolarHBondContact O-N 3.22Å; Y201-S207 WeakPolarHBondContact CD1-O 3.48Å; Y201-S207 WeakPolarHBondContact CE1-O 3.45Å; Y201-P209 HydrophobicContact CD1-CB 3.7Å; Y201-P209 HydrophobicContact CD1-CG 4.07Å; Y201-P209 HydrophobicContact CD2-CB 3.96Å; Y201-P209 VanDerWaalsContact CE1-CA 3.45Å; Y201-P209 HydrophobicContact CE1-CB 3.9Å; Y201-P209 HydrophobicContact CE2-CB 4.14Å; Y201-P209 HydrophobicContact CG-CB 3.73Å; Y201-P209 HydrophobicContact CG-CG 4.15Å; Y201-V226 HydrophobicContact CD2-CG2 3.63Å; Y201-V226 HydrophobicContact CE2-CG2 3.52Å; Y201-S227 WeakPolarHBondContact CE2-O 3.38Å; Y201-S227 PolarHBondContact OH-O 3.48Å; Y201-F228 HydrophobicContact CD2-CE1 4.35Å; Y201-F228 HydrophobicContact CE2-CD1 4.16Å; Y201-F228 HydrophobicContact CE2-CE1 4.36Å
202V98.6Very high97.8Very high10 Ų1016.7 Ų16.76%0.06110%0.101CC..Hα-helixtrans-60.4-43177.6175.20000111.1V100 V198 V199 L204 C205 A206 L208V100-V202 HydrophobicContact CG1-CG1 4.26Å; V198-V202 HydrophobicContact CG1-CG2 4.49Å; V198-V202 WeakPolarHBondContact O-CG2 3.47Å; V198-V202 PolarHBondContact O-N 3.22Å; V199-V202 PolarHBondContact O-N 3.38Å; V202-L204 PolarHBondContact O-N 2.93Å; V202-C205 PolarHBondContact O-N 2.65Å; V202-A206 VanDerWaalsContact O-CA 3.31Å; V202-A206 WeakPolarHBondContact O-CA 3.27Å; V202-A206 PolarHBondContact O-N 2.78Å; V202-L208 HydrophobicContact CG2-CD2 3.88Å
203M98.6Very high97.6Very high0 Ų022 Ų220%013%0.133CC..Hα-helixtrans-57-38.3175.4-74.6-169.3-67.400112.5V96 L106 A111 L114 F115 V199 L200 Y201V96-M203 HydrophobicContact CG1-CG 3.56Å; V96-M203 HydrophobicContact CG1-SD 4.13Å; L106-M203 WeakPolarHBondContact CB-O 3.38Å; L106-M203 HydrophobicContact CD1-CB 4.16Å; L106-M203 HydrophobicContact CD1-CG 4.07Å; L106-M203 HydrophobicContact CD1-SD 4.21Å; L106-M203 PolarHBondContact N-O 3.37Å; A111-M203 HydrophobicContact CB-CB 4.16Å; L114-M203 HydrophobicContact CB-SD 4.2Å; L114-M203 HydrophobicContact CD1-SD 4.24Å; F115-M203 HydrophobicContact CB-CE 4.14Å; F115-M203 HydrophobicContact CD2-CE 4.21Å; V199-M203 HydrophobicContact CG1-CE 4.32Å; V199-M203 WeakPolarHBondContact O-CG 3.43Å; V199-M203 PolarHBondContact O-N 3.42Å; L200-M203 HydrophobicContact CB-CE 4.38Å; L200-M203 HydrophobicContact CD1-CE 3.89Å; L200-M203 PolarHBondContact O-N 2.9Å; Y201-M203 VanDerWaalsContact C-N 3.33Å; Y201-M203 PolarHBondContact O-N 3.05Å
204L98.2Very high97.4Very high8 Ų825.7 Ų25.74%0.04215%0.153CC..Hα-helixtrans-89.4-25.3-174.8-68.9165.3000114.2P105 E108 A111 L200 Y201 V202 I234 C238 L242P105-L204 WeakPolarHBondContact CB-O 3.42Å; E108-L204 HydrophobicContact CB-CD2 4.12Å; E108-L204 HydrophobicContact CG-CD2 4.09Å; A111-L204 HydrophobicContact CB-CD2 3.71Å; A111-L204 HydrophobicContact CB-CG 4.14Å; L200-L204 HydrophobicContact CD1-CD1 3.77Å; L200-L204 HydrophobicContact CD1-CG 4.23Å; L200-L204 HydrophobicContact CG-CD1 3.91Å; L200-L204 WeakPolarHBondContact O-CD1 3.48Å; L200-L204 WeakPolarHBondContact O-CG 3.47Å; L200-L204 PolarHBondContact O-N 3.4Å; L200-L204 VanDerWaalsContact O-N 3.14Å; Y201-L204 PolarHBondContact O-N 3.14Å; Y201-L204 VanDerWaalsContact O-N 3.09Å; V202-L204 PolarHBondContact O-N 2.93Å; L204-I234 HydrophobicContact CB-CD1 4.26Å; L204-C238 WeakPolarHBondContact CD1-SG 3.26Å; L204-L242 HydrophobicContact CD1-CD1 3.8Å
205C97.7Very high97.2Very high11 Ų1129.2 Ų29.27%0.07417%0.171CC..Hα-helixtrans-120.6-7.3-169.3-61.30000113.7Y201 V202 S207 L232Y201-C205 HydrophobicContact CD1-CB 3.89Å; Y201-C205 HydrophobicContact CE1-CB 3.5Å; Y201-C205 VanDerWaalsContact CZ-SG 3.59Å; Y201-C205 VanDerWaalsContact O-CB 3.28Å; Y201-C205 WeakPolarHBondContact O-CB 3.43Å; Y201-C205 PolarHBondContact O-N 3.22Å; V202-C205 PolarHBondContact O-N 2.65Å; C205-S207 PolarHBondContact O-N 2.89Å; C205-S207 PolarHBondContact O-OG 3Å; C205-L232 HydrophobicContact CB-CD1 4.12Å
206A97.2Very high97Very high44 Ų4433.1 Ų33.136%0.36420%0.196SC..SBendtrans47.231.6-173.400000114.5V100 P105 V202V100-A206 VanDerWaalsContact CG1-CA 3.48Å; V100-A206 HydrophobicContact CG1-CB 3.49Å; V100-A206 VanDerWaalsContact CG1-CB 3.49Å; P105-A206 HydrophobicContact CB-CB 4.5Å; P105-A206 HydrophobicContact CG-CB 3.72Å; V202-A206 VanDerWaalsContact O-CA 3.31Å; V202-A206 WeakPolarHBondContact O-CA 3.27Å; V202-A206 PolarHBondContact O-N 2.78Å
207S96.4Very high96.9Very high54 Ų5437.4 Ų37.438%0.37822%0.215SC..SBendtrans-155.2158-177.948.80000109.1Y201 C205Y201-S207 WeakPolarHBondContact CD1-O 3.48Å; Y201-S207 WeakPolarHBondContact CE1-O 3.45Å; C205-S207 PolarHBondContact O-N 2.89Å; C205-S207 PolarHBondContact O-OG 3Å
208L97.4Very high96.8Very high62 Ų6237.4 Ų37.433%0.32522%0.215SC..  trans-73.2146.7173.4-70.9170.6000110.6A174 V198 V202 F210A174-L208 HydrophobicContact CB-CD1 3.77Å; A174-L208 HydrophobicContact CB-CD2 4.06Å; V198-L208 HydrophobicContact CG1-CD2 4.05Å; V202-L208 HydrophobicContact CG2-CD2 3.88Å; L208-F210 VanDerWaalsContact C-N 3.27Å; L208-F210 WeakPolarHBondContact CB-O 3.44Å; L208-F210 PolarHBondContact O-N 2.87Å
209P97.4Very high96.7Very high15 Ų1538.8 Ų38.810%0.09722%0.222CC..SBendtrans-70.6-25176.226.4-31.4000113V198 Y201 V226 L246V198-P209 HydrophobicContact CB-CG 4.46Å; V198-P209 HydrophobicContact CG1-CG 4.08Å; V198-P209 HydrophobicContact CG2-CG 4.19Å; Y201-P209 HydrophobicContact CD1-CB 3.7Å; Y201-P209 HydrophobicContact CD1-CG 4.07Å; Y201-P209 HydrophobicContact CD2-CB 3.96Å; Y201-P209 VanDerWaalsContact CE1-CA 3.45Å; Y201-P209 HydrophobicContact CE1-CB 3.9Å; Y201-P209 HydrophobicContact CE2-CB 4.14Å; Y201-P209 HydrophobicContact CG-CB 3.73Å; Y201-P209 HydrophobicContact CG-CG 4.15Å; P209-V226 HydrophobicContact CB-CG2 4.06Å; P209-L246 HydrophobicContact CB-CD1 4.3Å; P209-L246 HydrophobicContact CG-CD1 4.41Å
210F97.3Very high96.6Very high8 Ų846 Ų464%0.03525%0.249CC..SBendtrans-135.2146.4-177-47.3-66.4000109.7W194 L208 D212 M218 Q221 Q222 V226 L246W194-F210 HydrophobicContact CH2-CE2 4.02Å; W194-F210 HydrophobicContact CH2-CZ 4.27Å; W194-F210 HydrophobicContact CZ2-CD2 4.19Å; W194-F210 AromaticContact CZ2-CE2 3.55Å; W194-F210 HydrophobicContact CZ2-CE2 3.55Å; W194-F210 HydrophobicContact CZ2-CZ 4.26Å; L208-F210 VanDerWaalsContact C-N 3.27Å; L208-F210 WeakPolarHBondContact CB-O 3.44Å; L208-F210 PolarHBondContact O-N 2.87Å; F210-D212 PolarHBondContact O-N 2.71Å; F210-M218 HydrophobicContact CB-CE 4.28Å; F210-M218 HydrophobicContact CB-CG 3.97Å; F210-Q221 HydrophobicContact CD1-CB 3.91Å; F210-Q222 HydrophobicContact CB-CG 4.48Å; F210-Q222 HydrophobicContact CD1-CG 4.06Å; F210-Q222 HydrophobicContact CD2-CG 3.71Å; F210-Q222 HydrophobicContact CE1-CG 4.21Å; F210-Q222 HydrophobicContact CE2-CG 3.88Å; F210-Q222 HydrophobicContact CG-CG 3.8Å; F210-Q222 HydrophobicContact CZ-CG 4.12Å; F210-V226 HydrophobicContact CZ-CB 4.37Å; F210-L246 HydrophobicContact CE2-CD1 4.29Å; F210-L246 HydrophobicContact CE2-CD2 4.36Å; F210-L246 HydrophobicContact CZ-CD1 4.38Å
211D94.2Very high96.5Very high47 Ų4748.2 Ų48.225%0.25126%0.26SS..  trans-79.5114.8178.2179.3-3.6000109.4T213 K217 M218D211-T213 VanDerWaalsContact CG-OG1 3.3Å; D211-T213 VanDerWaalsContact OD1-CB 3.29Å; D211-T213 WeakPolarHBondContact OD1-CB 3.49Å; D211-T213 VanDerWaalsContact OD1-CG2 3.23Å; D211-T213 WeakPolarHBondContact OD1-CG2 3.07Å; D211-T213 PolarHBondContact OD1-N 3.05Å; D211-T213 VanDerWaalsContact OD1-N 3.08Å; D211-T213 PolarHBondContact OD1-OG1 2.81Å; D211-T213 PolarHBondContact OD2-OG1 3.12Å; D211-K217 IonicContact OD2-NZ 3.83Å; D211-K217 PolarHBondContact OD2-NZ 2.8Å; D211-M218 VanDerWaalsContact O-CB 3.26Å; D211-M218 WeakPolarHBondContact O-CB 3.3Å; D211-M218 WeakPolarHBondContact O-CG 3.38Å
212D93.5Very high96.4Very high68 Ų6847.7 Ų47.736%0.36426%0.258SS..THydrogen-bonded Turntrans-91.66.4-175.271.2-39.8000113.7A174 F210 D214 M218A174-D212 HydrophobicContact CB-CB 4.06Å; F210-D212 PolarHBondContact O-N 2.71Å; D212-D214 VanDerWaalsContact C-N 3.33Å; D212-D214 PolarHBondContact O-N 3.35Å; D212-M218 HydrophobicContact CB-CE 4.39Å; D212-M218 HydrophobicContact CB-SD 4.18Å
213T93.2Very high96.3Very high113 Ų11352.7 Ų52.769%0.69328%0.28SS*.THydrogen-bonded Turntrans-70.9-25.6-179.559.20000113.9D211D211-T213 VanDerWaalsContact CG-OG1 3.3Å; D211-T213 VanDerWaalsContact OD1-CB 3.29Å; D211-T213 WeakPolarHBondContact OD1-CB 3.49Å; D211-T213 VanDerWaalsContact OD1-CG2 3.23Å; D211-T213 WeakPolarHBondContact OD1-CG2 3.07Å; D211-T213 PolarHBondContact OD1-N 3.05Å; D211-T213 VanDerWaalsContact OD1-N 3.08Å; D211-T213 PolarHBondContact OD1-OG1 2.81Å; D211-T213 PolarHBondContact OD2-OG1 3.12Å
214D94.8Very high96.2Very high77 Ų7759.6 Ų59.641%0.41231%0.31SS..  trans-140.7114179.3179.4-79.4000109.6D212 P216 K217 M218D212-D214 VanDerWaalsContact C-N 3.33Å; D212-D214 PolarHBondContact O-N 3.35Å; D214-P216 WeakPolarHBondContact OD1-CD 3.36Å; D214-K217 HydrophobicContact CB-CB 3.92Å; D214-K217 WeakPolarHBondContact O-CB 3.26Å; D214-K217 PolarHBondContact O-N 2.93Å; D214-K217 VanDerWaalsContact OD1-CB 3.27Å; D214-K217 WeakPolarHBondContact OD1-CB 3.19Å; D214-K217 PolarHBondContact OD1-N 2.85Å; D214-M218 WeakPolarHBondContact O-CB 3.41Å; D214-M218 PolarHBondContact O-N 2.87Å
215I94.4Very high96Very high75 Ų7560.7 Ų60.739%0.38532%0.324SS..Hα-helixtrans-60.6-47.2-174-65.3173.3000112.4T173 L181 K217 M218 L219T173-I215 HydrophobicContact CG2-CG1 4.31Å; L181-I215 HydrophobicContact CB-CG2 4.44Å; I215-K217 VanDerWaalsContact C-N 3.32Å; I215-K217 PolarHBondContact O-N 3.09Å; I215-M218 WeakPolarHBondContact O-CB 3.24Å; I215-M218 PolarHBondContact O-N 3.18Å; I215-L219 HydrophobicContact CG2-CD1 4.04Å; I215-L219 HydrophobicContact CG2-CG 4.33Å; I215-L219 WeakPolarHBondContact O-CB 3.31Å; I215-L219 WeakPolarHBondContact O-CG 3.49Å; I215-L219 PolarHBondContact O-N 2.88Å
216P96.1Very high95.9Very high91 Ų9161 Ų6159%0.59133%0.325SS*.Hα-helixtrans-55-43.7174.2-28.234.6000113.8D214 W220D214-P216 WeakPolarHBondContact OD1-CD 3.36Å; P216-W220 PolarHBondContact O-N 2.8Å
217K96Very high95.8Very high92 Ų9262.9 Ų62.940%0.434%0.336SS..Hα-helixtrans-65.6-43.8176-176.3-171.7177.1-166.90111.5D211 D214 I215 L219 W220 Q221D211-K217 IonicContact OD2-NZ 3.83Å; D211-K217 PolarHBondContact OD2-NZ 2.8Å; D214-K217 HydrophobicContact CB-CB 3.92Å; D214-K217 WeakPolarHBondContact O-CB 3.26Å; D214-K217 PolarHBondContact O-N 2.93Å; D214-K217 VanDerWaalsContact OD1-CB 3.27Å; D214-K217 WeakPolarHBondContact OD1-CB 3.19Å; D214-K217 PolarHBondContact OD1-N 2.85Å; I215-K217 VanDerWaalsContact C-N 3.32Å; I215-K217 PolarHBondContact O-N 3.09Å; K217-L219 PolarHBondContact O-N 3.45Å; K217-W220 PolarHBondContact O-N 3.03Å; K217-Q221 WeakPolarHBondContact O-CG 3.47Å; K217-Q221 PolarHBondContact O-N 3.06Å
218M96.6Very high95.7Very high0 Ų062 Ų620%033%0.326CS..Hα-helixtrans-57.4-49.7176.3-167.5-169.3-178.200110.4T173 L181 F210 D211 D212 D214 I215 W220 Q221 Q222T173-M218 HydrophobicContact CG2-SD 4.42Å; T173-M218 WeakPolarHBondContact O-CE 3.43Å; L181-M218 HydrophobicContact CD1-CE 4.33Å; L181-M218 HydrophobicContact CD1-SD 3.76Å; F210-M218 HydrophobicContact CB-CE 4.28Å; F210-M218 HydrophobicContact CB-CG 3.97Å; D211-M218 VanDerWaalsContact O-CB 3.26Å; D211-M218 WeakPolarHBondContact O-CB 3.3Å; D211-M218 WeakPolarHBondContact O-CG 3.38Å; D212-M218 HydrophobicContact CB-CE 4.39Å; D212-M218 HydrophobicContact CB-SD 4.18Å; D214-M218 WeakPolarHBondContact O-CB 3.41Å; D214-M218 PolarHBondContact O-N 2.87Å; I215-M218 WeakPolarHBondContact O-CB 3.24Å; I215-M218 PolarHBondContact O-N 3.18Å; M218-W220 VanDerWaalsContact C-N 3.31Å; M218-W220 PolarHBondContact O-N 3.42Å; M218-Q221 WeakPolarHBondContact O-CB 3.28Å; M218-Q221 PolarHBondContact O-N 3.37Å; M218-Q221 VanDerWaalsContact O-N 3.12Å; M218-Q222 VanDerWaalsContact O-CG 3.29Å; M218-Q222 WeakPolarHBondContact O-CG 3.36Å; M218-Q222 PolarHBondContact O-N 3.12Å
219L97Very high95.3Very high29 Ų2960.6 Ų60.615%0.15232%0.32CS..Hα-helixtrans-58.2-42.8176.9-75.5171.5000111.8P178 L181 Q182 I215 K217 Q222 Q223P178-L219 HydrophobicContact CB-CD2 3.92Å; L181-L219 HydrophobicContact CB-CD2 3.99Å; L181-L219 HydrophobicContact CD1-CD2 4.11Å; Q182-L219 HydrophobicContact CG-CD1 3.91Å; Q182-L219 HydrophobicContact CG-CD2 3.95Å; I215-L219 HydrophobicContact CG2-CD1 4.04Å; I215-L219 HydrophobicContact CG2-CG 4.33Å; I215-L219 WeakPolarHBondContact O-CB 3.31Å; I215-L219 WeakPolarHBondContact O-CG 3.49Å; I215-L219 PolarHBondContact O-N 2.88Å; K217-L219 PolarHBondContact O-N 3.45Å; L219-Q222 PolarHBondContact O-N 2.86Å; L219-Q223 WeakPolarHBondContact O-CG 3.3Å; L219-Q223 PolarHBondContact O-N 3.28Å
220W96.8Very high94.9Very high151 Ų15166.9 Ų66.957%0.57236%0.358SS*.Hα-helixtrans-63.8-39.7176178.390.3000112.6P216 K217 M218 Q223 K224P216-W220 PolarHBondContact O-N 2.8Å; K217-W220 PolarHBondContact O-N 3.03Å; M218-W220 VanDerWaalsContact C-N 3.31Å; M218-W220 PolarHBondContact O-N 3.42Å; W220-Q223 PolarHBondContact O-N 3.48Å; W220-K224 HydrophobicContact CD2-CD 4.25Å; W220-K224 HydrophobicContact CE3-CD 4.07Å; W220-K224 HydrophobicContact CH2-CD 3.79Å; W220-K224 VanDerWaalsContact CH2-CE 3.4Å; W220-K224 HydrophobicContact CZ2-CD 3.9Å; W220-K224 HydrophobicContact CZ3-CD 3.81Å; W220-K224 PolarHBondContact O-N 3.09Å
221Q96.6Very high94.5Very high47 Ų4773.6 Ų73.622%0.2239%0.389CS..Hα-helixtrans-66.2-43.1175.1-69.8175.3-20.700111.6F210 K217 M218 Q223 K224 G225F210-Q221 HydrophobicContact CD1-CB 3.91Å; K217-Q221 WeakPolarHBondContact O-CG 3.47Å; K217-Q221 PolarHBondContact O-N 3.06Å; M218-Q221 WeakPolarHBondContact O-CB 3.28Å; M218-Q221 PolarHBondContact O-N 3.37Å; M218-Q221 VanDerWaalsContact O-N 3.12Å; Q221-Q223 VanDerWaalsContact C-N 3.3Å; Q221-Q223 PolarHBondContact O-N 2.97Å; Q221-K224 WeakPolarHBondContact O-CB 3.44Å; Q221-K224 PolarHBondContact O-N 3.14Å; Q221-G225 PolarHBondContact O-N 2.88Å
222Q97.1Very high94.2Very high0 Ų073.1 Ų73.10%039%0.387CS..Hα-helixtrans-55.8-45.8175.9-71.9177.4-18.200110.9A176 P178 W194 F210 M218 L219 K224 G225 P248A176-Q222 PolarHBondContact O-NE2 2.83Å; P178-Q222 HydrophobicContact CG-CB 4.16Å; P178-Q222 VanDerWaalsContact CG-OE1 3.27Å; W194-Q222 HydrophobicContact CH2-CB 3.95Å; W194-Q222 HydrophobicContact CH2-CG 3.88Å; W194-Q222 HydrophobicContact CZ2-CB 4.25Å; W194-Q222 HydrophobicContact CZ2-CG 3.66Å; F210-Q222 HydrophobicContact CB-CG 4.48Å; F210-Q222 HydrophobicContact CD1-CG 4.06Å; F210-Q222 HydrophobicContact CD2-CG 3.71Å; F210-Q222 HydrophobicContact CE1-CG 4.21Å; F210-Q222 HydrophobicContact CE2-CG 3.88Å; F210-Q222 HydrophobicContact CG-CG 3.8Å; F210-Q222 HydrophobicContact CZ-CG 4.12Å; M218-Q222 VanDerWaalsContact O-CG 3.29Å; M218-Q222 WeakPolarHBondContact O-CG 3.36Å; M218-Q222 PolarHBondContact O-N 3.12Å; L219-Q222 PolarHBondContact O-N 2.86Å; Q222-K224 VanDerWaalsContact C-N 3.25Å; Q222-K224 PolarHBondContact O-N 2.86Å; Q222-G225 PolarHBondContact O-N 3.47Å; Q222-P248 WeakPolarHBondContact O-CG 3.38Å
223Q96.4Very high94Very high114 Ų11475.8 Ų75.853%0.53341%0.411SS..Hα-helixtrans-65-24178.1-68-59.8-28.600114.4L219 W220 Q221 G225L219-Q223 WeakPolarHBondContact O-CG 3.3Å; L219-Q223 PolarHBondContact O-N 3.28Å; W220-Q223 PolarHBondContact O-N 3.48Å; Q221-Q223 VanDerWaalsContact C-N 3.3Å; Q221-Q223 PolarHBondContact O-N 2.97Å; Q223-G225 VanDerWaalsContact C-N 3.25Å
224K95.5Very high94.1Very high145 Ų14571.1 Ų71.163%0.6338%0.381SS*.Hα-helixtrans-76.9-14.1173.5-75.1-173.1158.9-166.40113.5W220 Q221 Q222W220-K224 HydrophobicContact CD2-CD 4.25Å; W220-K224 HydrophobicContact CE3-CD 4.07Å; W220-K224 HydrophobicContact CH2-CD 3.79Å; W220-K224 VanDerWaalsContact CH2-CE 3.4Å; W220-K224 HydrophobicContact CZ2-CD 3.9Å; W220-K224 HydrophobicContact CZ3-CD 3.81Å; W220-K224 PolarHBondContact O-N 3.09Å; Q221-K224 WeakPolarHBondContact O-CB 3.44Å; Q221-K224 PolarHBondContact O-N 3.14Å; Q222-K224 VanDerWaalsContact C-N 3.25Å; Q222-K224 PolarHBondContact O-N 2.86Å
225G94.1Very high94.1Very high32 Ų3269.5 Ų69.533%0.3338%0.376SS..  trans84.6161.7-173.800000113Q221 Q222 Q223Q221-G225 PolarHBondContact O-N 2.88Å; Q222-G225 PolarHBondContact O-N 3.47Å; Q223-G225 VanDerWaalsContact C-N 3.25Å
226V95.9Very high94.2Very high16 Ų1669.6 Ų69.610%0.09739%0.388CS..  trans-68.5141.4178.963.20000111.5Y201 P209 F210 F228 K243 L246Y201-V226 HydrophobicContact CD2-CG2 3.63Å; Y201-V226 HydrophobicContact CE2-CG2 3.52Å; P209-V226 HydrophobicContact CB-CG2 4.06Å; F210-V226 HydrophobicContact CZ-CB 4.37Å; V226-F228 HydrophobicContact CG1-CE1 4.2Å; V226-F228 HydrophobicContact CG1-CE2 4.05Å; V226-F228 HydrophobicContact CG1-CZ 3.53Å; V226-F228 HydrophobicContact CG2-CE1 4.1Å; V226-F228 HydrophobicContact CG2-CZ 4.24Å; V226-K243 HydrophobicContact CG1-CG 4.02Å; V226-L246 HydrophobicContact CB-CD1 3.83Å; V226-L246 HydrophobicContact CG1-CD1 4.18Å; V226-L246 HydrophobicContact CG2-CD1 3.87Å
227S94.2Very high94.3Very high85 Ų8568.9 Ų68.959%0.59438%0.379SS*.  trans-112.6151.8172.665.90000110.2Y201Y201-S227 WeakPolarHBondContact CE2-O 3.38Å; Y201-S227 PolarHBondContact OH-O 3.48Å
228F94.3Very high94.4Very high36 Ų3664.5 Ų64.516%0.15836%0.36CS..  trans-117.2133-176.1-56.2-75.4000110.4Y201 V226 T230 I234 Q239 L242 K243Y201-F228 HydrophobicContact CD2-CE1 4.35Å; Y201-F228 HydrophobicContact CE2-CD1 4.16Å; Y201-F228 HydrophobicContact CE2-CE1 4.36Å; V226-F228 HydrophobicContact CG1-CE1 4.2Å; V226-F228 HydrophobicContact CG1-CE2 4.05Å; V226-F228 HydrophobicContact CG1-CZ 3.53Å; V226-F228 HydrophobicContact CG2-CE1 4.1Å; V226-F228 HydrophobicContact CG2-CZ 4.24Å; F228-T230 PolarHBondContact O-N 3.34Å; F228-I234 HydrophobicContact CD1-CD1 4.16Å; F228-Q239 HydrophobicContact CD1-CG 4.22Å; F228-Q239 HydrophobicContact CD2-CB 4.23Å; F228-Q239 HydrophobicContact CD2-CG 3.85Å; F228-Q239 HydrophobicContact CE1-CG 4.3Å; F228-Q239 HydrophobicContact CE2-CB 3.85Å; F228-Q239 HydrophobicContact CE2-CG 3.95Å; F228-Q239 HydrophobicContact CG-CG 3.99Å; F228-Q239 HydrophobicContact CZ-CB 4Å; F228-Q239 HydrophobicContact CZ-CG 4.16Å; F228-L242 HydrophobicContact CD1-CD1 4.39Å; F228-L242 HydrophobicContact CE1-CB 3.84Å; F228-L242 HydrophobicContact CE1-CD1 3.55Å; F228-L242 HydrophobicContact CE1-CG 4.31Å; F228-L242 HydrophobicContact CZ-CB 3.81Å; F228-L242 HydrophobicContact CZ-CD1 4.34Å; F228-K243 HydrophobicContact CE2-CG 4.23Å; F228-K243 HydrophobicContact CZ-CG 4.31Å
229P90.6Very high94.4Very high32 Ų3267.2 Ų67.221%0.20837%0.373CS..  trans-64.1123.6175.9-19.431.4000111.1H231 L232P229-H231 WeakPolarHBondContact CB-CE1 3.29Å; P229-H231 PolarHBondContact O-N 2.99Å; P229-H231 VanDerWaalsContact O-N 3.16Å; P229-L232 HydrophobicContact CB-CD1 3.99Å; P229-L232 HydrophobicContact CB-CG 4.17Å; P229-L232 HydrophobicContact CG-CD1 3.87Å; P229-L232 PolarHBondContact O-N 3.4Å
230T88.3Confident94.5Very high146 Ų14668.7 Ų68.790%0.89638%0.381SS*.THydrogen-bonded Turntrans-64.5-21.3-17552.10000114.3F228 L232F228-T230 PolarHBondContact O-N 3.34Å; T230-L232 VanDerWaalsContact C-N 3.29Å
231H88.6Confident94.6Very high149 Ų14961.5 Ų61.569%0.6935%0.354SS*.THydrogen-bonded Turntrans-77.7-15.3176.864.7-88.9000112.8P229P229-H231 WeakPolarHBondContact CB-CE1 3.29Å; P229-H231 PolarHBondContact O-N 2.99Å; P229-H231 VanDerWaalsContact O-N 3.16Å
232L87.5Confident94.7Very high38 Ų3859.3 Ų59.320%0.19934%0.343CS..SBendtrans-92.9123.7175.1-60.2175.6000108.9P105 C205 P229 T230 I234P105-L232 HydrophobicContact CG-CD2 4.45Å; C205-L232 HydrophobicContact CB-CD1 4.12Å; P229-L232 HydrophobicContact CB-CD1 3.99Å; P229-L232 HydrophobicContact CB-CG 4.17Å; P229-L232 HydrophobicContact CG-CD1 3.87Å; P229-L232 PolarHBondContact O-N 3.4Å; T230-L232 VanDerWaalsContact C-N 3.29Å; L232-I234 HydrophobicContact CB-CD1 4.27Å; L232-I234 HydrophobicContact CB-CG1 4.04Å; L232-I234 PolarHBondContact O-N 2.91Å
233S89.3Confident94.7Very high124 Ų12464.5 Ų64.587%0.86737%0.366SS*.  trans-80.665.9178.7-62.50000111.1
234I95.6Very high94.8Very high14 Ų1465.2 Ų65.27%0.07236%0.364CS..  trans-82.3125.1176.7-56.3175.5000108.9L204 F228 L232 C238 Q239L204-I234 HydrophobicContact CB-CD1 4.26Å; F228-I234 HydrophobicContact CD1-CD1 4.16Å; L232-I234 HydrophobicContact CB-CD1 4.27Å; L232-I234 HydrophobicContact CB-CG1 4.04Å; L232-I234 PolarHBondContact O-N 2.91Å; I234-C238 HydrophobicContact CG2-CB 3.65Å; I234-Q239 HydrophobicContact CB-CG 4.25Å; I234-Q239 HydrophobicContact CG2-CG 3.79Å; I234-Q239 PolarHBondContact O-NE2 3.3Å
235S96.2Very high95Very high43 Ų4358.3 Ų58.330%0.30133%0.334SS..  trans-60.8153.3-17874.30000113E108 D237 C238 Q239E108-S235 VanDerWaalsContact OE1-CB 3.28Å; E108-S235 WeakPolarHBondContact OE1-CB 3.29Å; E108-S235 PolarHBondContact OE1-OG 3.22Å; E108-S235 PolarHBondContact OE2-N 2.88Å; S235-D237 VanDerWaalsContact C-N 3.27Å; S235-D237 PolarHBondContact O-N 3.34Å; S235-C238 WeakPolarHBondContact O-CB 3.26Å; S235-C238 PolarHBondContact O-N 3.4Å; S235-C238 VanDerWaalsContact O-N 3.12Å; S235-C238 WeakPolarHBondContact OG-CB 3.39Å; S235-C238 PolarHBondContact OG-N 2.97Å; S235-Q239 WeakPolarHBondContact O-CG 3.3Å; S235-Q239 PolarHBondContact O-N 2.93Å
236A96.2Very high95.2Very high77 Ų7756.9 Ų56.964%0.63632%0.318SS*.Hα-helixtrans-58.2-39.9178.500000112.2C238 Q239 D240A236-C238 VanDerWaalsContact C-N 3.34Å; A236-C238 PolarHBondContact O-N 3.42Å; A236-Q239 PolarHBondContact O-N 3.08Å; A236-D240 WeakPolarHBondContact O-CB 3.28Å; A236-D240 PolarHBondContact O-N 3.28Å
237D97.1Very high95.3Very high77 Ų7758.9 Ų58.941%0.41233%0.327SS..Hα-helixtrans-65.3-37177.1-72.3-12.3000112.1S235 D240 L241 H262 W264S235-D237 VanDerWaalsContact C-N 3.27Å; S235-D237 PolarHBondContact O-N 3.34Å; D237-D240 PolarHBondContact O-N 3.46Å; D237-L241 PolarHBondContact O-N 3.49Å; D237-H262 PolarHBondContact O-CE1 3.37Å; D237-H262 VanDerWaalsContact O-CE1 3.32Å; D237-W264 HydrophobicContact CB-CB 3.94Å; D237-W264 HydrophobicContact CB-CG 4.33Å
238C97.9Very high95.5Very high0 Ų055.7 Ų55.70%030%0.304CS..Hα-helixtrans-68.2-43.2175.7-166.30000111.4L204 I234 S235 A236 D240 L241 L242 W264L204-C238 WeakPolarHBondContact CD1-SG 3.26Å; I234-C238 HydrophobicContact CG2-CB 3.65Å; S235-C238 WeakPolarHBondContact O-CB 3.26Å; S235-C238 PolarHBondContact O-N 3.4Å; S235-C238 VanDerWaalsContact O-N 3.12Å; S235-C238 WeakPolarHBondContact OG-CB 3.39Å; S235-C238 PolarHBondContact OG-N 2.97Å; A236-C238 VanDerWaalsContact C-N 3.34Å; A236-C238 PolarHBondContact O-N 3.42Å; C238-D240 VanDerWaalsContact C-N 3.32Å; C238-D240 PolarHBondContact O-N 3.05Å; C238-L241 PolarHBondContact O-N 2.93Å; C238-L242 PolarHBondContact O-N 3.06Å; C238-W264 HydrophobicContact CB-CD2 4.31Å; C238-W264 HydrophobicContact CB-CG 4.22Å; C238-W264 HydrophobicContact CB-CZ2 4.24Å; C238-W264 VanDerWaalsContact CB-NE1 3.29Å; C238-W264 VanDerWaalsContact N-CD1 3.34Å; C238-W264 VanDerWaalsContact SG-CE2 3.53Å; C238-W264 WeakPolarHBondContact SG-CZ2 3.27Å
239Q98.1Very high95.6Very high57 Ų5757.2 Ų57.227%0.26631%0.314SS..Hα-helixtrans-62.4-40.2175.2-66.7-178.939.100111.6F228 I234 S235 A236 L242 K243F228-Q239 HydrophobicContact CD1-CG 4.22Å; F228-Q239 HydrophobicContact CD2-CB 4.23Å; F228-Q239 HydrophobicContact CD2-CG 3.85Å; F228-Q239 HydrophobicContact CE1-CG 4.3Å; F228-Q239 HydrophobicContact CE2-CB 3.85Å; F228-Q239 HydrophobicContact CE2-CG 3.95Å; F228-Q239 HydrophobicContact CG-CG 3.99Å; F228-Q239 HydrophobicContact CZ-CB 4Å; F228-Q239 HydrophobicContact CZ-CG 4.16Å; I234-Q239 HydrophobicContact CB-CG 4.25Å; I234-Q239 HydrophobicContact CG2-CG 3.79Å; I234-Q239 PolarHBondContact O-NE2 3.3Å; S235-Q239 WeakPolarHBondContact O-CG 3.3Å; S235-Q239 PolarHBondContact O-N 2.93Å; A236-Q239 PolarHBondContact O-N 3.08Å; Q239-L242 PolarHBondContact O-N 3.16Å; Q239-K243 VanDerWaalsContact O-CG 3.28Å; Q239-K243 WeakPolarHBondContact O-CG 3.39Å; Q239-K243 PolarHBondContact O-N 3.09Å
240D98.1Very high95.8Very high59 Ų5957.1 Ų57.132%0.31631%0.311SS..Hα-helixtrans-61-46.9174.9-169.961.8000111.1A236 D237 C238 L242 K243 R244 H262A236-D240 WeakPolarHBondContact O-CB 3.28Å; A236-D240 PolarHBondContact O-N 3.28Å; D237-D240 PolarHBondContact O-N 3.46Å; C238-D240 VanDerWaalsContact C-N 3.32Å; C238-D240 PolarHBondContact O-N 3.05Å; D240-L242 PolarHBondContact O-N 3.01Å; D240-K243 PolarHBondContact O-N 3.08Å; D240-R244 WeakPolarHBondContact O-CG 3.35Å; D240-R244 PolarHBondContact O-N 3.23Å; D240-R244 VanDerWaalsContact O-N 3.08Å; D240-R244 IonicContact OD1-NE 2.89Å; D240-R244 IonicContact OD1-NH2 3.25Å; D240-R244 IonicContact OD2-CZ 2.76Å; D240-R244 VanDerWaalsContact OD2-CZ 3.27Å; D240-R244 IonicContact OD2-NE 2.76Å; D240-R244 PolarHBondContact OD2-NE 3.23Å; D240-R244 IonicContact OD2-NH2 3.82Å; D240-R244 PolarHBondContact OD2-NH2 3.08Å; D240-H262 IonicContact OD2-CE1 3.93Å; D240-H262 IonicContact OD2-NE2 2.97Å; D240-H262 PolarHBondContact OD2-NE2 3.23Å
241L98.6Very high96.2Very high1 Ų156.5 Ų56.51%0.00530%0.301CS..Hα-helixtrans-58.6-48.9175.5179.557.6000111.6F115 L200 D237 C238 K243 R244 L245 V259 H262 W264F115-L241 HydrophobicContact CD1-CD2 4.35Å; F115-L241 HydrophobicContact CE1-CD2 3.95Å; L200-L241 HydrophobicContact CD2-CD2 4.12Å; D237-L241 PolarHBondContact O-N 3.49Å; C238-L241 PolarHBondContact O-N 2.93Å; L241-K243 VanDerWaalsContact C-N 3.33Å; L241-K243 PolarHBondContact O-N 3.07Å; L241-R244 PolarHBondContact O-N 2.95Å; L241-R244 VanDerWaalsContact O-N 3.13Å; L241-L245 HydrophobicContact CD1-CD1 4.01Å; L241-L245 HydrophobicContact CD1-CD2 4.31Å; L241-L245 HydrophobicContact CD1-CG 3.93Å; L241-L245 HydrophobicContact CD2-CD1 4.42Å; L241-L245 HydrophobicContact CG-CD1 3.81Å; L241-L245 HydrophobicContact CG-CG 4.19Å; L241-L245 VanDerWaalsContact O-CG 3.3Å; L241-L245 WeakPolarHBondContact O-CG 3.33Å; L241-L245 PolarHBondContact O-N 3.42Å; L241-V259 HydrophobicContact CD1-CG1 4.29Å; L241-H262 HydrophobicContact CD1-CB 4.01Å; L241-W264 HydrophobicContact CD2-CB 4.37Å; L241-W264 HydrophobicContact CD2-CD2 4.1Å; L241-W264 HydrophobicContact CD2-CE3 3.32Å; L241-W264 HydrophobicContact CD2-CZ3 3.88Å
242L98.6Very high96.6Very high0 Ų055.1 Ų55.10%030%0.298CS..Hα-helixtrans-60.4-40.9-179.4-82.4165.4000112.3G197 L200 L204 F228 C238 Q239 D240 R244 L245 L246G197-L242 WeakPolarHBondContact O-CD2 3.1Å; L200-L242 HydrophobicContact CB-CD2 3.95Å; L200-L242 HydrophobicContact CD2-CD2 3.85Å; L200-L242 HydrophobicContact CD2-CG 4Å; L200-L242 HydrophobicContact CG-CD2 3.82Å; L200-L242 HydrophobicContact CG-CG 4.27Å; L204-L242 HydrophobicContact CD1-CD1 3.8Å; F228-L242 HydrophobicContact CD1-CD1 4.39Å; F228-L242 HydrophobicContact CE1-CB 3.84Å; F228-L242 HydrophobicContact CE1-CD1 3.55Å; F228-L242 HydrophobicContact CE1-CG 4.31Å; F228-L242 HydrophobicContact CZ-CB 3.81Å; F228-L242 HydrophobicContact CZ-CD1 4.34Å; C238-L242 PolarHBondContact O-N 3.06Å; Q239-L242 PolarHBondContact O-N 3.16Å; D240-L242 PolarHBondContact O-N 3.01Å; L242-R244 VanDerWaalsContact C-N 3.34Å; L242-R244 PolarHBondContact O-N 2.91Å; L242-L245 PolarHBondContact O-N 3.07Å; L242-L246 VanDerWaalsContact O-CB 3.3Å; L242-L246 WeakPolarHBondContact O-CB 3.19Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 2.91Å
243K98.5Very high97.1Very high109 Ų10953.4 Ų53.447%0.47429%0.289SS..Hα-helixtrans-62.1-40.7174.7-72.2172-170.3177.30112V226 F228 Q239 D240 L241 L246 E247V226-K243 HydrophobicContact CG1-CG 4.02Å; F228-K243 HydrophobicContact CE2-CG 4.23Å; F228-K243 HydrophobicContact CZ-CG 4.31Å; Q239-K243 VanDerWaalsContact O-CG 3.28Å; Q239-K243 WeakPolarHBondContact O-CG 3.39Å; Q239-K243 PolarHBondContact O-N 3.09Å; D240-K243 PolarHBondContact O-N 3.08Å; L241-K243 VanDerWaalsContact C-N 3.33Å; L241-K243 PolarHBondContact O-N 3.07Å; K243-L246 CarbonylContact O-C 3.39Å; K243-E247 PolarHBondContact O-N 3.23Å; K243-E247 VanDerWaalsContact O-N 3.16Å
244R98.5Very high97.5Very high129 Ų12948.5 Ų48.549%0.48725%0.254SS..Hα-helixtrans-68-43.3176.9-66.5171.9-170.2-1092112.3D240 L241 L242 L246 E247 P254D240-R244 WeakPolarHBondContact O-CG 3.35Å; D240-R244 PolarHBondContact O-N 3.23Å; D240-R244 VanDerWaalsContact O-N 3.08Å; D240-R244 IonicContact OD1-NE 2.89Å; D240-R244 IonicContact OD1-NH2 3.25Å; D240-R244 IonicContact OD2-CZ 2.76Å; D240-R244 VanDerWaalsContact OD2-CZ 3.27Å; D240-R244 IonicContact OD2-NE 2.76Å; D240-R244 PolarHBondContact OD2-NE 3.23Å; D240-R244 IonicContact OD2-NH2 3.82Å; D240-R244 PolarHBondContact OD2-NH2 3.08Å; L241-R244 PolarHBondContact O-N 2.95Å; L241-R244 VanDerWaalsContact O-N 3.13Å; L242-R244 VanDerWaalsContact C-N 3.34Å; L242-R244 PolarHBondContact O-N 2.91Å; R244-L246 VanDerWaalsContact C-N 3.33Å; R244-E247 VanDerWaalsContact O-CB 3.27Å; R244-E247 WeakPolarHBondContact O-CB 3.29Å; R244-E247 PolarHBondContact O-N 3.46Å; R244-P254 HydrophobicContact CB-CG 4.21Å; R244-P254 WeakPolarHBondContact O-CD 3.29Å
245L98.7Very high97.6Very high0 Ų049.3 Ų49.30%026%0.261CS..Hα-helixtrans-63.6-41.5178.2-67.1172.5000111.2F115 V193 L200 L241 L242 E247 R253 V259F115-L245 HydrophobicContact CE1-CD1 4.1Å; F115-L245 HydrophobicContact CE2-CD1 4.35Å; F115-L245 HydrophobicContact CZ-CD1 3.52Å; V193-L245 HydrophobicContact CG1-CD2 3.56Å; L200-L245 HydrophobicContact CD2-CD1 4.15Å; L241-L245 HydrophobicContact CD1-CD1 4.01Å; L241-L245 HydrophobicContact CD1-CD2 4.31Å; L241-L245 HydrophobicContact CD1-CG 3.93Å; L241-L245 HydrophobicContact CD2-CD1 4.42Å; L241-L245 HydrophobicContact CG-CD1 3.81Å; L241-L245 HydrophobicContact CG-CG 4.19Å; L241-L245 VanDerWaalsContact O-CG 3.3Å; L241-L245 WeakPolarHBondContact O-CG 3.33Å; L241-L245 PolarHBondContact O-N 3.42Å; L242-L245 PolarHBondContact O-N 3.07Å; L245-E247 VanDerWaalsContact C-N 3.28Å; L245-E247 PolarHBondContact O-N 3Å; L245-R253 WeakPolarHBondContact O-CD 3.44Å; L245-V259 HydrophobicContact CD2-CG1 4.07Å; L245-V259 HydrophobicContact CD2-CG2 3.54Å
246L98.7Very high97.7Very high2 Ų247.3 Ų47.31%0.0125%0.247CC..THydrogen-bonded Turntrans-94.632.1179.4-58.3176.3000112.3W194 V198 P209 F210 V226 L242 K243 R244 P248W194-L246 HydrophobicContact CD2-CD2 3.96Å; W194-L246 HydrophobicContact CE3-CD2 4.27Å; W194-L246 HydrophobicContact CG-CD2 4.35Å; W194-L246 HydrophobicContact CH2-CB 4.41Å; W194-L246 HydrophobicContact CZ2-CD2 4.19Å; W194-L246 HydrophobicContact CZ3-CB 4.24Å; W194-L246 VanDerWaalsContact CZ3-O 3.29Å; W194-L246 WeakPolarHBondContact CZ3-O 3.47Å; V198-L246 HydrophobicContact CG2-CD2 3.82Å; P209-L246 HydrophobicContact CB-CD1 4.3Å; P209-L246 HydrophobicContact CG-CD1 4.41Å; F210-L246 HydrophobicContact CE2-CD1 4.29Å; F210-L246 HydrophobicContact CE2-CD2 4.36Å; F210-L246 HydrophobicContact CZ-CD1 4.38Å; V226-L246 HydrophobicContact CB-CD1 3.83Å; V226-L246 HydrophobicContact CG1-CD1 4.18Å; V226-L246 HydrophobicContact CG2-CD1 3.87Å; L242-L246 VanDerWaalsContact O-CB 3.3Å; L242-L246 WeakPolarHBondContact O-CB 3.19Å; L242-L246 WeakPolarHBondContact O-CG 3.47Å; L242-L246 PolarHBondContact O-N 2.91Å; K243-L246 CarbonylContact O-C 3.39Å; R244-L246 VanDerWaalsContact C-N 3.33Å; L246-P248 VanDerWaalsContact O-CD 3.29Å; L246-P248 WeakPolarHBondContact O-CD 3.41Å
247E98.4Very high97.7Very high59 Ų5946.9 Ų46.928%0.27623%0.231SC..  trans-72.1117.1171.5173.449.1-117.100109.5K243 R244 L245 D249 L252 R253K243-E247 PolarHBondContact O-N 3.23Å; K243-E247 VanDerWaalsContact O-N 3.16Å; R244-E247 VanDerWaalsContact O-CB 3.27Å; R244-E247 WeakPolarHBondContact O-CB 3.29Å; R244-E247 PolarHBondContact O-N 3.46Å; L245-E247 VanDerWaalsContact C-N 3.28Å; L245-E247 PolarHBondContact O-N 3Å; E247-D249 VanDerWaalsContact C-N 3.32Å; E247-D249 PolarHBondContact O-N 3.09Å; E247-D249 PolarHBondContact OE1-N 3.01Å; E247-L252 HydrophobicContact CG-CB 3.73Å; E247-R253 HydrophobicContact CB-CB 4.13Å; E247-R253 HydrophobicContact CB-CG 4.36Å; E247-R253 HydrophobicContact CG-CB 4.36Å; E247-R253 PolarHBondContact O-NE 3.28Å; E247-R253 PolarHBondContact O-NH2 3.33Å; E247-R253 VanDerWaalsContact O-NH2 3.07Å
248P97.3Very high97.8Very high17 Ų1748.2 Ų48.211%0.1124%0.235CC..SBendtrans-65.2-32.9-176-24.636.6000113.4P178 Q222 L246 M250P178-P248 HydrophobicContact CG-CB 4.18Å; Q222-P248 WeakPolarHBondContact O-CG 3.38Å; L246-P248 VanDerWaalsContact O-CD 3.29Å; L246-P248 WeakPolarHBondContact O-CD 3.41Å; P248-M250 PolarHBondContact O-N 3.38Å
249D96.8Very high97.8Very high68 Ų6848.4 Ų48.436%0.36424%0.236SC..SBendtrans-76.7107.7173.6-171-22.2000110.4E247 I251 L252 R253E247-D249 VanDerWaalsContact C-N 3.32Å; E247-D249 PolarHBondContact O-N 3.09Å; E247-D249 PolarHBondContact OE1-N 3.01Å; D249-I251 PolarHBondContact O-N 3.34Å; D249-I251 VanDerWaalsContact O-N 3.07Å; D249-I251 VanDerWaalsContact OD1-CB 3.26Å; D249-I251 WeakPolarHBondContact OD1-CB 3.23Å; D249-I251 PolarHBondContact OD1-N 2.93Å; D249-L252 HydrophobicContact CB-CB 4.15Å; D249-L252 HydrophobicContact CB-CD1 3.98Å; D249-L252 HydrophobicContact CB-CG 3.98Å; D249-L252 PolarHBondContact O-N 3.02Å; D249-R253 PolarHBondContact O-N 2.92Å
250M95.6Very high97.7Very high31 Ų3146.8 Ų46.815%0.15323%0.232CC..THydrogen-bonded Turntrans-54.5-27.8177.4-174.4-169.664.800113.6E179 H186 D187 K190 P248E179-M250 HydrophobicContact CG-CB 4.47Å; E179-M250 HydrophobicContact CG-SD 4.04Å; H186-M250 HydrophobicContact CB-SD 3.84Å; D187-M250 HydrophobicContact CB-CE 4.38Å; D187-M250 HydrophobicContact CB-SD 3.75Å; D187-M250 PolarHBondContact N-SD 3.35Å; K190-M250 HydrophobicContact CB-CG 3.56Å; K190-M250 HydrophobicContact CB-SD 4.34Å; K190-M250 HydrophobicContact CG-CG 3.84Å; K190-M250 PolarHBondContact NZ-O 2.96Å; P248-M250 PolarHBondContact O-N 3.38Å
251I95.3Very high97.6Very high132 Ų13252.5 Ų52.568%0.67725%0.249SC*.THydrogen-bonded Turntrans-70.5-43.4177.5-59177.3000109.9D249D249-I251 PolarHBondContact O-N 3.34Å; D249-I251 VanDerWaalsContact O-N 3.07Å; D249-I251 VanDerWaalsContact OD1-CB 3.26Å; D249-I251 WeakPolarHBondContact OD1-CB 3.23Å; D249-I251 PolarHBondContact OD1-N 2.93Å
252L97.4Very high97.6Very high121 Ų12153 Ų5363%0.63425%0.251SS*.THydrogen-bonded Turntrans-79-27.1-179.2-58.9-178.6000113.1E247 D249E247-L252 HydrophobicContact CG-CB 3.73Å; D249-L252 HydrophobicContact CB-CB 4.15Å; D249-L252 HydrophobicContact CB-CD1 3.98Å; D249-L252 HydrophobicContact CB-CG 3.98Å; D249-L252 PolarHBondContact O-N 3.02Å
253R98.2Very high97.4Very high2 Ų256.7 Ų56.71%0.00828%0.275CS..SBendtrans-56.5133.5176.4-165.6-177.7-54.3147.27.8110.5E179 K190 V193 L245 E247 D249E179-R253 IonicContact OE1-CZ 2.88Å; E179-R253 IonicContact OE1-NH1 3.19Å; E179-R253 PolarHBondContact OE1-NH1 3.22Å; E179-R253 IonicContact OE1-NH2 2.78Å; E179-R253 PolarHBondContact OE1-NH2 3.49Å; E179-R253 IonicContact OE2-CZ 3.27Å; E179-R253 IonicContact OE2-NH1 3.84Å; E179-R253 IonicContact OE2-NH2 3.88Å; E179-R253 PolarHBondContact OE2-NH2 3.01Å; K190-R253 WeakPolarHBondContact CE-O 3.32Å; K190-R253 PolarHBondContact NZ-O 3.02Å; K190-R253 WeakPolarHBondContact O-CD 3.41Å; K190-R253 PolarHBondContact O-NH1 3.47Å; V193-R253 HydrophobicContact CG1-CG 4.1Å; L245-R253 WeakPolarHBondContact O-CD 3.44Å; E247-R253 HydrophobicContact CB-CB 4.13Å; E247-R253 HydrophobicContact CB-CG 4.36Å; E247-R253 HydrophobicContact CG-CB 4.36Å; E247-R253 PolarHBondContact O-NE 3.28Å; E247-R253 PolarHBondContact O-NH2 3.33Å; E247-R253 VanDerWaalsContact O-NH2 3.07Å; D249-R253 PolarHBondContact O-N 2.92Å
254P98.1Very high97.4Very high20 Ų2051.5 Ų51.513%0.1325%0.252CS..PPolyproline II helixtrans-67.2157.8-176.728.9-35.8000112.5K190 V193 R244 E258 V259K190-P254 WeakPolarHBondContact CD-O 3.29Å; V193-P254 HydrophobicContact CG1-CG 4.44Å; R244-P254 HydrophobicContact CB-CG 4.21Å; R244-P254 WeakPolarHBondContact O-CD 3.29Å; P254-E258 WeakPolarHBondContact CA-OE2 3.39Å; P254-E258 HydrophobicContact CB-CB 3.89Å; P254-V259 HydrophobicContact CB-CG2 4.08Å; P254-V259 HydrophobicContact CG-CG2 3.69Å
255S97.8Very high97.2Very high31 Ų3146.2 Ų46.222%0.21723%0.234CC..PPolyproline II helixtrans-70.9163.3161.161.60000111.4E257 E258 V259S255-E257 PolarHBondContact O-N 3.29Å; S255-E258 WeakPolarHBondContact CB-OE2 3.48Å; S255-E258 PolarHBondContact N-OE2 3.28Å; S255-E258 PolarHBondContact O-N 2.94Å; S255-E258 VanDerWaalsContact OG-CD 3.3Å; S255-E258 VanDerWaalsContact OG-CG 3.3Å; S255-E258 WeakPolarHBondContact OG-CG 3.45Å; S255-E258 PolarHBondContact OG-N 3.16Å; S255-E258 PolarHBondContact OG-OE2 2.59Å; S255-V259 WeakPolarHBondContact O-CG2 3.45Å; S255-V259 PolarHBondContact O-N 3.08Å
256I97.9Very high96.5Very high2 Ų250 Ų501%0.0127%0.265CS..Hα-helixtrans-65.9-29.7177.5-168.264.1000112V119 I122 R123 H126 V193 M196 V259 S260V119-I256 HydrophobicContact CB-CD1 4.49Å; V119-I256 HydrophobicContact CG1-CD1 4.08Å; V119-I256 HydrophobicContact CG1-CG1 4.48Å; V119-I256 HydrophobicContact CG2-CD1 4.44Å; I122-I256 HydrophobicContact CB-CD1 4.23Å; I122-I256 HydrophobicContact CB-CG1 4.33Å; I122-I256 HydrophobicContact CG2-CD1 3.98Å; I122-I256 HydrophobicContact CG2-CG1 3.96Å; R123-I256 HydrophobicContact CB-CG1 3.95Å; R123-I256 HydrophobicContact CB-CG2 4.26Å; R123-I256 HydrophobicContact CG-CG2 4.28Å; H126-I256 HydrophobicContact CB-CG2 4.05Å; H126-I256 WeakPolarHBondContact ND1-CG2 3.23Å; V193-I256 HydrophobicContact CG2-CB 4.44Å; M196-I256 HydrophobicContact CE-CD1 3.9Å; M196-I256 HydrophobicContact SD-CD1 3.78Å; I256-V259 HydrophobicContact CD1-CB 4.39Å; I256-V259 HydrophobicContact CD1-CG1 4.44Å; I256-V259 PolarHBondContact O-N 3.27Å; I256-S260 WeakPolarHBondContact O-CB 3.41Å; I256-S260 PolarHBondContact O-N 3.43Å
257E96.9Very high95.1Very high67 Ų6752.1 Ų52.131%0.31328%0.28SS..Hα-helixtrans-62.1-49.6173.4-68.274.8-164.800110.7S255 V259 S260 W261S255-E257 PolarHBondContact O-N 3.29Å; E257-V259 PolarHBondContact O-N 3.48Å; E257-S260 WeakPolarHBondContact O-CB 3.26Å; E257-S260 PolarHBondContact O-N 3.07Å; E257-S260 VanDerWaalsContact O-N 3.08Å; E257-S260 PolarHBondContact O-OG 3.37Å; E257-W261 HydrophobicContact CB-CH2 3.7Å; E257-W261 HydrophobicContact CB-CZ2 4.12Å; E257-W261 HydrophobicContact CB-CZ3 4.1Å; E257-W261 VanDerWaalsContact O-CE3 3.29Å; E257-W261 PolarHBondContact O-N 2.85Å
258E97.5Very high92.9Very high106 Ų10659.2 Ų59.250%0.49533%0.328SS..Hα-helixtrans-61.5-41.7176.2-71.6163.3136.600112.3P254 S255 S260 W261P254-E258 WeakPolarHBondContact CA-OE2 3.39Å; P254-E258 HydrophobicContact CB-CB 3.89Å; S255-E258 WeakPolarHBondContact CB-OE2 3.48Å; S255-E258 PolarHBondContact N-OE2 3.28Å; S255-E258 PolarHBondContact O-N 2.94Å; S255-E258 VanDerWaalsContact OG-CD 3.3Å; S255-E258 VanDerWaalsContact OG-CG 3.3Å; S255-E258 WeakPolarHBondContact OG-CG 3.45Å; S255-E258 PolarHBondContact OG-N 3.16Å; S255-E258 PolarHBondContact OG-OE2 2.59Å; E258-S260 VanDerWaalsContact C-N 3.26Å; E258-S260 PolarHBondContact O-N 3.31Å; E258-W261 HydrophobicContact CG-CE3 4.47Å; E258-W261 HydrophobicContact CG-CZ3 4.19Å; E258-W261 PolarHBondContact O-N 3.37Å
259V98.3Very high92.6Very high3 Ų361.4 Ų61.42%0.01834%0.339CS..Hα-helixtrans-57.8-41.7173.4170.80000110.7F115 V119 V193 L241 L245 P254 S255 I256 E257 W261 H262 L265F115-V259 HydrophobicContact CE1-CG1 4.4Å; V119-V259 HydrophobicContact CG1-CG1 4.43Å; V119-V259 HydrophobicContact CG2-CG1 3.92Å; V193-V259 HydrophobicContact CG1-CG2 4.18Å; L241-V259 HydrophobicContact CD1-CG1 4.29Å; L245-V259 HydrophobicContact CD2-CG1 4.07Å; L245-V259 HydrophobicContact CD2-CG2 3.54Å; P254-V259 HydrophobicContact CB-CG2 4.08Å; P254-V259 HydrophobicContact CG-CG2 3.69Å; S255-V259 WeakPolarHBondContact O-CG2 3.45Å; S255-V259 PolarHBondContact O-N 3.08Å; I256-V259 HydrophobicContact CD1-CB 4.39Å; I256-V259 HydrophobicContact CD1-CG1 4.44Å; I256-V259 PolarHBondContact O-N 3.27Å; E257-V259 PolarHBondContact O-N 3.48Å; V259-W261 PolarHBondContact O-N 3.12Å; V259-W261 VanDerWaalsContact O-N 3.13Å; V259-H262 VanDerWaalsContact O-CB 3.24Å; V259-H262 WeakPolarHBondContact O-CB 3.33Å; V259-H262 PolarHBondContact O-N 2.93Å; V259-L265 HydrophobicContact CG1-CD1 4.37Å; V259-L265 WeakPolarHBondContact O-CD1 3.49Å
260S96.8Very high92.4Very high24 Ų2461 Ų6117%0.16834%0.337CS..Hα-helixtrans-65.1-16.9-177.279.50000114.5I256 E257 E258I256-S260 WeakPolarHBondContact O-CB 3.41Å; I256-S260 PolarHBondContact O-N 3.43Å; E257-S260 WeakPolarHBondContact O-CB 3.26Å; E257-S260 PolarHBondContact O-N 3.07Å; E257-S260 VanDerWaalsContact O-N 3.08Å; E257-S260 PolarHBondContact O-OG 3.37Å; E258-S260 VanDerWaalsContact C-N 3.26Å; E258-S260 PolarHBondContact O-N 3.31Å
261W95.8Very high92.3Very high179 Ų17962.7 Ų62.768%0.67835%0.348SS*.THydrogen-bonded Turntrans-100.64.1176.4-53.2-45.3000113.5E257 E258 V259E257-W261 HydrophobicContact CB-CH2 3.7Å; E257-W261 HydrophobicContact CB-CZ2 4.12Å; E257-W261 HydrophobicContact CB-CZ3 4.1Å; E257-W261 VanDerWaalsContact O-CE3 3.29Å; E257-W261 PolarHBondContact O-N 2.85Å; E258-W261 HydrophobicContact CG-CE3 4.47Å; E258-W261 HydrophobicContact CG-CZ3 4.19Å; E258-W261 PolarHBondContact O-N 3.37Å; V259-W261 PolarHBondContact O-N 3.12Å; V259-W261 VanDerWaalsContact O-N 3.13Å
262H97.8Very high92.1Very high11 Ų1158.6 Ų58.65%0.05133%0.328CS..  trans-62.5136.5-177.5-165.3-89.2000111.7D237 D240 L241 V259 W264 L265 A266D237-H262 PolarHBondContact O-CE1 3.37Å; D237-H262 VanDerWaalsContact O-CE1 3.32Å; D240-H262 IonicContact OD2-CE1 3.93Å; D240-H262 IonicContact OD2-NE2 2.97Å; D240-H262 PolarHBondContact OD2-NE2 3.23Å; L241-H262 HydrophobicContact CD1-CB 4.01Å; V259-H262 VanDerWaalsContact O-CB 3.24Å; V259-H262 WeakPolarHBondContact O-CB 3.33Å; V259-H262 PolarHBondContact O-N 2.93Å; H262-W264 WeakPolarHBondContact ND1-CB 3.39Å; H262-W264 PolarHBondContact ND1-N 3.5Å; H262-W264 PolarHBondContact O-N 3.22Å; H262-W264 VanDerWaalsContact O-N 3.11Å; H262-L265 PolarHBondContact O-N 3.48Å; H262-A266 PolarHBondContact O-N 3.06Å
263P96Very high91.7Very high77 Ų7754.7 Ų54.750%0.531%0.309SS..Hα-helixtrans-53.6-36-177.7-29.435.6000114.6L265 A266 S267P263-L265 PolarHBondContact O-N 2.82Å; P263-A266 PolarHBondContact O-N 2.88Å; P263-A266 VanDerWaalsContact O-N 3.13Å; P263-S267 PolarHBondContact O-N 3.38Å; P263-S267 PolarHBondContact O-OG 3.41Å
264W97.6Very high91.3Very high1 Ų158.2 Ų58.20%0.00433%0.329CS..Hα-helixtrans-58.2-34.2176.1-172.271.6000113.6E108 K112 F115 L200 D237 C238 L241 H262 S267E108-W264 HydrophobicContact CG-CZ2 3.83Å; E108-W264 PolarHBondContact OE1-NE1 3.06Å; K112-W264 HydrophobicContact CB-CH2 3.54Å; K112-W264 HydrophobicContact CB-CZ2 3.56Å; K112-W264 HydrophobicContact CB-CZ3 4.1Å; K112-W264 VanDerWaalsContact CD-O 3.27Å; K112-W264 WeakPolarHBondContact CD-O 3.49Å; K112-W264 WeakPolarHBondContact CE-O 3.2Å; K112-W264 HydrophobicContact CG-CD2 4.26Å; K112-W264 HydrophobicContact CG-CE3 4.12Å; K112-W264 HydrophobicContact CG-CH2 3.89Å; K112-W264 HydrophobicContact CG-CZ2 3.96Å; K112-W264 HydrophobicContact CG-CZ3 3.95Å; K112-W264 PolarHBondContact NZ-O 3.46Å; F115-W264 HydrophobicContact CB-CH2 4.49Å; F115-W264 HydrophobicContact CB-CZ3 4.22Å; F115-W264 AromaticContact CD1-CZ3 3.84Å; F115-W264 HydrophobicContact CD1-CZ3 3.84Å; F115-W264 HydrophobicContact CG-CZ3 4.31Å; L200-W264 HydrophobicContact CD1-CH2 3.73Å; L200-W264 HydrophobicContact CD1-CZ3 4.25Å; L200-W264 HydrophobicContact CD2-CH2 4.24Å; L200-W264 HydrophobicContact CD2-CZ3 4.09Å; D237-W264 HydrophobicContact CB-CB 3.94Å; D237-W264 HydrophobicContact CB-CG 4.33Å; C238-W264 HydrophobicContact CB-CD2 4.31Å; C238-W264 HydrophobicContact CB-CG 4.22Å; C238-W264 HydrophobicContact CB-CZ2 4.24Å; C238-W264 VanDerWaalsContact CB-NE1 3.29Å; C238-W264 VanDerWaalsContact N-CD1 3.34Å; C238-W264 VanDerWaalsContact SG-CE2 3.53Å; C238-W264 WeakPolarHBondContact SG-CZ2 3.27Å; L241-W264 HydrophobicContact CD2-CB 4.37Å; L241-W264 HydrophobicContact CD2-CD2 4.1Å; L241-W264 HydrophobicContact CD2-CE3 3.32Å; L241-W264 HydrophobicContact CD2-CZ3 3.88Å; H262-W264 WeakPolarHBondContact ND1-CB 3.39Å; H262-W264 PolarHBondContact ND1-N 3.5Å; H262-W264 PolarHBondContact O-N 3.22Å; H262-W264 VanDerWaalsContact O-N 3.11Å; W264-S267 PolarHBondContact O-OG 2.81Å; W264-S267 VanDerWaalsContact O-OG 3.04Å
265L94.6Very high90.8Very high17 Ų1760.9 Ų60.99%0.08934%0.343CS..Hα-helixtrans-84.2-25.3177.5-72.6178.6000113.1K112 F115 R116 V119 V259 H262 P263K112-L265 HydrophobicContact CG-CD2 4.43Å; F115-L265 HydrophobicContact CD1-CD2 4.07Å; R116-L265 HydrophobicContact CB-CD2 4.04Å; V119-L265 HydrophobicContact CG1-CD1 4.4Å; V119-L265 HydrophobicContact CG2-CD1 4.02Å; V259-L265 HydrophobicContact CG1-CD1 4.37Å; V259-L265 WeakPolarHBondContact O-CD1 3.49Å; H262-L265 PolarHBondContact O-N 3.48Å; P263-L265 PolarHBondContact O-N 2.82Å
266A83.1Confident90.3Very high80 Ų8063.2 Ų63.266%0.66135%0.353SS*.Hα-helixtrans-82.9-26.3178.900000113.1H262 P263H262-A266 PolarHBondContact O-N 3.06Å; P263-A266 PolarHBondContact O-N 2.88Å; P263-A266 VanDerWaalsContact O-N 3.13Å
267S70.6Confident89.7Confident46 Ų4668.3 Ų68.332%0.32238%0.382SS..  trans-69.6129.7177.146.30000111.4K112 P263 W264K112-S267 PolarHBondContact NZ-O 3.23Å; K112-S267 PolarHBondContact NZ-OG 2.68Å; P263-S267 PolarHBondContact O-N 3.38Å; P263-S267 PolarHBondContact O-OG 3.41Å; W264-S267 PolarHBondContact O-OG 2.81Å; W264-S267 VanDerWaalsContact O-OG 3.04Å
268T50.9Low89Confident209 Ų20968.5 Ų68.5100%1.28239%0.388SS*.  trans-74.90178.126.70000112.2

Retrieved 268 of 268 residues in 175.4 ms (Link to these results)

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