A0A087XN25_POEFO Loading...

Ubiquitin-like domain-containing CTD phosphatase 1

AlphaFold DB (A0A3B3TYH8), UniProt , Accession A0A087XN25, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 318 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
1M78.1Confident91.4Very high168 Ų16853.3 Ų53.383%0.82836%0.358SS*.  0165.60-65.7172.2-10600109.9S20 E21M1-S20 CarbonylContact O-C 3.59Å; M1-S20 VanDerWaalsContact O-CA 3.25Å; M1-S20 WeakPolarHBondContact O-CA 3.47Å; M1-E21 HydrophobicContact CB-CG 4.38Å; M1-E21 WeakPolarHBondContact CB-OE2 3.44Å; M1-E21 PolarHBondContact N-OE2 3.36Å; M1-E21 PolarHBondContact O-N 3.42Å
2S86.1Confident91.6Very high103 Ų10358.8 Ų58.872%0.7237%0.374SS*.EExtended strand (participates in β ladder)trans-74.9144.217555.40000111L19S2-L19 CarbonylContact C-O 3.57Å; S2-L19 WeakPolarHBondContact CA-O 3.38Å
3V89.3Confident92Very high17 Ų1761.8 Ų61.810%0.10338%0.381CS..EExtended strand (participates in β ladder)trans-108.4129.8178.2173.50000108.4V5 L19 E21 L61 L66V3-V5 HydrophobicContact CG1-CG1 4.18Å; V3-L19 PolarHBondContact N-O 3.36Å; V3-E21 HydrophobicContact CG2-CB 4.49Å; V3-E21 HydrophobicContact CG2-CG 3.84Å; V3-L61 HydrophobicContact CG1-CD1 4.32Å; V3-L61 HydrophobicContact CG2-CB 4.22Å; V3-L66 HydrophobicContact CG1-CD1 4.48Å
4S92Very high92.2Very high33 Ų3359.6 Ų59.623%0.23136%0.362CS..EExtended strand (participates in β ladder)trans-124.2119.8177.5-178.40000111.3I16 N69S4-I16 CarbonylContact C-O 3.6Å; S4-I16 VanDerWaalsContact CA-O 3.28Å; S4-I16 WeakPolarHBondContact CA-O 3.44Å; S4-N69 PolarHBondContact O-N 3.34Å; S4-N69 PolarHBondContact OG-OD1 3.21Å
5V94.6Very high92.3Very high2 Ų261.1 Ų61.11%0.01238%0.377CS..EExtended strand (participates in β ladder)trans-133.4156.1179.8-63.90000111.1V3 I7 I16 L28 L66 I72V3-V5 HydrophobicContact CG1-CG1 4.18Å; V5-I7 HydrophobicContact CG2-CD1 4.14Å; V5-I16 HydrophobicContact CG2-CB 4Å; V5-I16 PolarHBondContact N-O 3.19Å; V5-I16 PolarHBondContact O-N 3.28Å; V5-L28 HydrophobicContact CG2-CD1 3.83Å; V5-L66 HydrophobicContact CG1-CD1 3.93Å; V5-I72 HydrophobicContact CB-CD1 4.19Å; V5-I72 HydrophobicContact CG1-CD1 4.1Å
6I95.9Very high92.3Very high17 Ų1757.6 Ų57.69%0.08736%0.355CS..EExtended strand (participates in β ladder)trans-115.7119.2174.6-61.5172.7000108.2E13 Y14 N69 T70 K71 I72I6-E13 HydrophobicContact CG2-CB 3.84Å; I6-E13 HydrophobicContact CG2-CG 4.28Å; I6-Y14 CarbonylContact C-O 3.54Å; I6-Y14 WeakPolarHBondContact CA-O 3.4Å; I6-N69 HydrophobicContact CD1-CB 4.01Å; I6-N69 HydrophobicContact CG1-CB 4.46Å; I6-T70 PolarHBondContact N-O 2.86Å; I6-K71 HydrophobicContact CB-CG 4.08Å; I6-K71 HydrophobicContact CD1-CG 4.4Å; I6-K71 HydrophobicContact CG2-CG 4.31Å; I6-K71 CarbonylContact O-C 3.6Å; I6-K71 VanDerWaalsContact O-CA 3.32Å; I6-K71 WeakPolarHBondContact O-CA 3.2Å; I6-I72 PolarHBondContact O-N 3.14Å
7I96.8Very high92.2Very high1 Ų159.2 Ų59.21%0.00537%0.369CS..EExtended strand (participates in β ladder)trans-94.2123.6178.1-53.8-57.1000109V5 E13 Y14 I16 L28 I32 I72 M74V5-I7 HydrophobicContact CG2-CD1 4.14Å; I7-E13 CarbonylContact O-C 3.5Å; I7-E13 WeakPolarHBondContact O-CA 3.49Å; I7-Y14 PolarHBondContact N-O 3.29Å; I7-Y14 PolarHBondContact O-N 3.44Å; I7-I16 HydrophobicContact CG1-CD1 3.71Å; I7-I16 HydrophobicContact CG1-CG1 4.42Å; I7-L28 HydrophobicContact CD1-CD1 4.43Å; I7-I32 HydrophobicContact CB-CG1 4.5Å; I7-I32 HydrophobicContact CD1-CD1 3.84Å; I7-I32 HydrophobicContact CD1-CG1 4.35Å; I7-I32 HydrophobicContact CG1-CD1 3.86Å; I7-I32 HydrophobicContact CG1-CG1 3.82Å; I7-I32 HydrophobicContact CG2-CD1 4.1Å; I7-I32 HydrophobicContact CG2-CG1 4.22Å; I7-I72 WeakPolarHBondContact CA-O 3.34Å; I7-I72 HydrophobicContact CD1-CB 3.82Å; I7-I72 HydrophobicContact CD1-CD1 4.11Å; I7-I72 HydrophobicContact CD1-CG1 4.44Å; I7-I72 HydrophobicContact CD1-CG2 4.32Å; I7-M74 HydrophobicContact CG2-CB 3.77Å
8K96.4Very high91.9Very high63 Ų6358.9 Ų58.927%0.27437%0.369SS..EExtended strand (participates in β ladder)trans-100.1115.5175.8-78.2-175.4163.3-174.70110Q12 E13 I72 M73 M74K8-Q12 WeakPolarHBondContact CA-O 3.36Å; K8-E13 WeakPolarHBondContact CE-OE1 3.31Å; K8-E13 HydrophobicContact CG-CG 4.09Å; K8-E13 IonicContact NZ-OE1 2.75Å; K8-E13 PolarHBondContact NZ-OE1 3.23Å; K8-I72 PolarHBondContact N-O 2.91Å; K8-M73 HydrophobicContact CB-CE 4.12Å; K8-M73 HydrophobicContact CB-SD 3.37Å; K8-M73 WeakPolarHBondContact CB-SD 3.42Å; K8-M73 HydrophobicContact CD-SD 3.33Å; K8-M73 WeakPolarHBondContact CD-SD 3.44Å; K8-M73 HydrophobicContact CG-SD 3.97Å; K8-M74 PolarHBondContact O-N 2.81Å
9W96Very high91.9Very high31 Ų3155.9 Ų55.912%0.11735%0.35CS..EExtended strand (participates in β ladder)trans-151.6139.4179.7176.375.8000111G11 Q12 Y14 T36 V38 M74 G76 R78W9-G11 PolarHBondContact O-N 3.04Å; W9-Q12 PolarHBondContact N-O 3.27Å; W9-Q12 PolarHBondContact O-N 3.06Å; W9-Y14 HydrophobicContact CB-CE2 4.37Å; W9-Y14 AromaticContact CE3-CE2 3.95Å; W9-Y14 HydrophobicContact CE3-CE2 3.95Å; W9-T36 HydrophobicContact CD2-CG2 4.36Å; W9-T36 HydrophobicContact CE3-CG2 3.8Å; W9-T36 HydrophobicContact CZ3-CG2 4.41Å; W9-V38 HydrophobicContact CD2-CG2 4.4Å; W9-V38 HydrophobicContact CH2-CG2 4.1Å; W9-V38 HydrophobicContact CZ2-CG2 3.51Å; W9-M74 HydrophobicContact CB-CB 4.38Å; W9-M74 HydrophobicContact CB-CE 3.66Å; W9-M74 HydrophobicContact CB-SD 4.36Å; W9-M74 HydrophobicContact CD2-CE 3.77Å; W9-M74 HydrophobicContact CG-CE 3.25Å; W9-M74 HydrophobicContact CG-SD 3.89Å; W9-G76 PolarHBondContact NE1-O 3.03Å; W9-R78 HydrophobicContact CH2-CG 3.75Å; W9-R78 HydrophobicContact CZ2-CG 4.1Å
10G89.7Confident91.9Very high63 Ų6354.9 Ų54.965%0.64935%0.345SS*.THydrogen-bonded Turntrans58.229.9177.600000114.5Q12G10-Q12 PolarHBondContact O-N 2.98Å
11G89.9Confident91.9Very high88 Ų8855.1 Ų55.191%0.90734%0.342SS*.THydrogen-bonded Turntrans75.92.2-175.700000115.2W9W9-G11 PolarHBondContact O-N 3.04Å
12Q94.3Very high92.5Very high119 Ų11951.5 Ų51.556%0.55632%0.323SS*.EExtended strand (participates in β ladder)trans-110.9157.9179.4-60-176.725.700111.7K8 W9 G10 Y14K8-Q12 WeakPolarHBondContact CA-O 3.36Å; W9-Q12 PolarHBondContact N-O 3.27Å; W9-Q12 PolarHBondContact O-N 3.06Å; G10-Q12 PolarHBondContact O-N 2.98Å; Q12-Y14 HydrophobicContact CB-CE2 3.79Å; Q12-Y14 PolarHBondContact OE1-OH 3.27Å
13E96.3Very high92.9Very high99 Ų9946.7 Ų46.746%0.46329%0.289SS..EExtended strand (participates in β ladder)trans-110.6128.2175.1-59.8-159.6165.200110.3I6 I7 K8 K71I6-E13 HydrophobicContact CG2-CB 3.84Å; I6-E13 HydrophobicContact CG2-CG 4.28Å; I7-E13 CarbonylContact O-C 3.5Å; I7-E13 WeakPolarHBondContact O-CA 3.49Å; K8-E13 WeakPolarHBondContact CE-OE1 3.31Å; K8-E13 HydrophobicContact CG-CG 4.09Å; K8-E13 IonicContact NZ-OE1 2.75Å; K8-E13 PolarHBondContact NZ-OE1 3.23Å; E13-K71 VanDerWaalsContact CD-NZ 3.33Å; E13-K71 IonicContact OE1-NZ 2.86Å; E13-K71 PolarHBondContact OE1-NZ 3.12Å; E13-K71 IonicContact OE2-NZ 2.64Å; E13-K71 PolarHBondContact OE2-NZ 2.9Å
14Y95.1Very high93.1Very high31 Ų3146.2 Ų46.212%0.12229%0.286CS..EExtended strand (participates in β ladder)trans-117.4116179.6-58.9-94.1000109.4I6 I7 W9 Q12 L35 T36I6-Y14 CarbonylContact C-O 3.54Å; I6-Y14 WeakPolarHBondContact CA-O 3.4Å; I7-Y14 PolarHBondContact N-O 3.29Å; I7-Y14 PolarHBondContact O-N 3.44Å; W9-Y14 HydrophobicContact CB-CE2 4.37Å; W9-Y14 AromaticContact CE3-CE2 3.95Å; W9-Y14 HydrophobicContact CE3-CE2 3.95Å; Q12-Y14 HydrophobicContact CB-CE2 3.79Å; Q12-Y14 PolarHBondContact OE1-OH 3.27Å; Y14-L35 HydrophobicContact CD1-CB 3.93Å; Y14-T36 HydrophobicContact CD1-CG2 4.33Å; Y14-T36 HydrophobicContact CD2-CG2 4.05Å; Y14-T36 HydrophobicContact CE1-CG2 4.19Å; Y14-T36 HydrophobicContact CE2-CG2 3.93Å; Y14-T36 HydrophobicContact CG-CG2 4.25Å
15S93.9Very high93.3Very high82 Ų8244.8 Ų44.857%0.57328%0.276SS*.EExtended strand (participates in β ladder)trans-88.5126.2-179.9-62.70000110.8
16I92.8Very high93.3Very high5 Ų546.4 Ų46.43%0.02628%0.284CS..EExtended strand (participates in β ladder)trans-116.4115.7176.5-59.4175.3000107.8S4 V5 I7 L19 L28 I32 L35S4-I16 CarbonylContact C-O 3.6Å; S4-I16 VanDerWaalsContact CA-O 3.28Å; S4-I16 WeakPolarHBondContact CA-O 3.44Å; V5-I16 HydrophobicContact CG2-CB 4Å; V5-I16 PolarHBondContact N-O 3.19Å; V5-I16 PolarHBondContact O-N 3.28Å; I7-I16 HydrophobicContact CG1-CD1 3.71Å; I7-I16 HydrophobicContact CG1-CG1 4.42Å; I16-L19 HydrophobicContact CG2-CD1 3.8Å; I16-L19 HydrophobicContact CG2-CG 3.87Å; I16-L28 HydrophobicContact CD1-CD1 3.8Å; I16-I32 HydrophobicContact CD1-CG1 3.71Å; I16-L35 HydrophobicContact CD1-CD1 4.21Å; I16-L35 HydrophobicContact CG1-CD1 3.71Å
17S89.9Confident93.2Very high85 Ų8545.9 Ų45.959%0.59428%0.281SS*.EExtended strand (participates in β ladder)trans-129.11179.558.10000113.6L19S17-L19 VanDerWaalsContact C-N 3.34Å
18S86.9Confident93.1Very high53 Ų5345.9 Ų45.937%0.37128%0.281SS..EExtended strand (participates in β ladder)trans-80.3-16.2-177.5550000113.3R120S18-R120 PolarHBondContact O-NE 3.5Å; S18-R120 PolarHBondContact O-NH2 3.45Å
19L91.4Very high93.1Very high3 Ų344.2 Ų44.22%0.01627%0.274CS..EExtended strand (participates in β ladder)trans-83.5163-176.3-58179.8000112.4S2 V3 I16 S17 D23 D27 L28 S31 L61 R120S2-L19 CarbonylContact C-O 3.57Å; S2-L19 WeakPolarHBondContact CA-O 3.38Å; V3-L19 PolarHBondContact N-O 3.36Å; I16-L19 HydrophobicContact CG2-CD1 3.8Å; I16-L19 HydrophobicContact CG2-CG 3.87Å; S17-L19 VanDerWaalsContact C-N 3.34Å; L19-D23 HydrophobicContact CB-CB 4.39Å; L19-D23 HydrophobicContact CD2-CB 4.3Å; L19-D27 HydrophobicContact CD2-CB 4.36Å; L19-L28 HydrophobicContact CD1-CB 3.98Å; L19-L28 HydrophobicContact CD1-CD1 3.87Å; L19-S31 WeakPolarHBondContact CD2-OG 3.25Å; L19-L61 HydrophobicContact CB-CD1 4.01Å; L19-L61 HydrophobicContact CD1-CD1 3.79Å; L19-R120 VanDerWaalsContact CD2-NH1 3.27Å
20S92.2Very high92.9Very high34 Ų3443.4 Ų43.424%0.23827%0.271CS..EExtended strand (participates in β ladder)trans-123.6170.4177.873.40000111.2M1 E22 D23M1-S20 CarbonylContact O-C 3.59Å; M1-S20 VanDerWaalsContact O-CA 3.25Å; M1-S20 WeakPolarHBondContact O-CA 3.47Å; S20-E22 PolarHBondContact O-N 2.95Å; S20-E22 PolarHBondContact OG-N 3.4Å; S20-D23 WeakPolarHBondContact CA-OD2 3.22Å; S20-D23 WeakPolarHBondContact CB-OD2 3.18Å; S20-D23 PolarHBondContact N-OD2 2.7Å; S20-D23 WeakPolarHBondContact O-CB 3.14Å; S20-D23 PolarHBondContact O-N 3.24Å; S20-D23 PolarHBondContact OG-N 3.08Å; S20-D23 PolarHBondContact OG-OD2 3.08Å
21E92.3Very high93Very high60 Ų6041 Ų4128%0.2825%0.245SC..THydrogen-bonded Turntrans-64.4-21.2176-71.517314800113.7M1 V3 G62M1-E21 HydrophobicContact CB-CG 4.38Å; M1-E21 WeakPolarHBondContact CB-OE2 3.44Å; M1-E21 PolarHBondContact N-OE2 3.36Å; M1-E21 PolarHBondContact O-N 3.42Å; V3-E21 HydrophobicContact CG2-CB 4.49Å; V3-E21 HydrophobicContact CG2-CG 3.84Å; E21-G62 PolarHBondContact O-N 3.07Å
22E91.1Very high93.2Very high92 Ų9236.9 Ų36.943%0.4320%0.202SC..THydrogen-bonded Turntrans-84.3-21.4178.3-59-53.713700112.9S20 K60S20-E22 PolarHBondContact O-N 2.95Å; S20-E22 PolarHBondContact OG-N 3.4Å; E22-K60 IonicContact OE2-NZ 3.04Å; E22-K60 PolarHBondContact OE2-NZ 2.55Å
23D93.6Very high93Very high2 Ų233 Ų331%0.01118%0.183CC..SBendtrans-64.8154.6172.3-68.3-83.7000109.7L19 S20 D27 K60 L61 K117 R120L19-D23 HydrophobicContact CB-CB 4.39Å; L19-D23 HydrophobicContact CD2-CB 4.3Å; S20-D23 WeakPolarHBondContact CA-OD2 3.22Å; S20-D23 WeakPolarHBondContact CB-OD2 3.18Å; S20-D23 PolarHBondContact N-OD2 2.7Å; S20-D23 WeakPolarHBondContact O-CB 3.14Å; S20-D23 PolarHBondContact O-N 3.24Å; S20-D23 PolarHBondContact OG-N 3.08Å; S20-D23 PolarHBondContact OG-OD2 3.08Å; D23-D27 WeakPolarHBondContact CA-OD2 3.4Å; D23-D27 HydrophobicContact CB-CB 3.85Å; D23-K60 CarbonylContact O-C 3.4Å; D23-K60 WeakPolarHBondContact O-CA 3.45Å; D23-L61 HydrophobicContact CB-CD1 4.09Å; D23-L61 VanDerWaalsContact O-CG 3.31Å; D23-L61 WeakPolarHBondContact O-CG 3.47Å; D23-L61 PolarHBondContact O-N 2.87Å; D23-K117 WeakPolarHBondContact OD1-CE 3.31Å; D23-R120 IonicContact OD1-CZ 3.48Å; D23-R120 IonicContact OD1-NH1 3.31Å; D23-R120 PolarHBondContact OD1-NH1 3.47Å; D23-R120 IonicContact OD1-NH2 3.83Å; D23-R120 IonicContact OD2-CZ 3.36Å; D23-R120 IonicContact OD2-NH1 3.34Å; D23-R120 PolarHBondContact OD2-NH1 3.47Å; D23-R120 IonicContact OD2-NH2 3.79Å; D23-R120 PolarHBondContact OD2-NH2 3.39Å
24T95Very high92.5Very high8 Ų832 Ų325%0.04919%0.187CC..BIsolated β-bridgetrans-100.3174.3-176.569.40000113M26 D27 L28 D57 V59 V226T24-M26 PolarHBondContact O-N 3.06Å; T24-M26 PolarHBondContact OG1-N 3.03Å; T24-D27 PolarHBondContact N-OD2 2.97Å; T24-D27 WeakPolarHBondContact O-CB 3.4Å; T24-D27 PolarHBondContact O-N 2.63Å; T24-D27 VanDerWaalsContact O-N 3.15Å; T24-D27 PolarHBondContact OG1-N 3.13Å; T24-D27 PolarHBondContact OG1-OD2 3.21Å; T24-L28 PolarHBondContact O-N 3.22Å; T24-L28 VanDerWaalsContact O-N 3.11Å; T24-D57 VanDerWaalsContact CB-O 3.26Å; T24-D57 WeakPolarHBondContact CB-O 2.96Å; T24-D57 PolarHBondContact OG1-O 2.84Å; T24-V59 CarbonylContact C-O 3.58Å; T24-V59 VanDerWaalsContact CA-O 3.24Å; T24-V59 WeakPolarHBondContact CA-O 3.43Å; T24-V226 HydrophobicContact CG2-CG2 4.16Å
25V94.9Very high92.2Very high2 Ų234.6 Ų34.61%0.01220%0.203CC..Hα-helixtrans-59.1-36169.61720000110.9L28 K29 L48 A55 E56 V59 L61 L64V25-L28 WeakPolarHBondContact O-CB 3.33Å; V25-L28 PolarHBondContact O-N 3.22Å; V25-K29 PolarHBondContact O-N 3.38Å; V25-L48 HydrophobicContact CG1-CD2 4.37Å; V25-L48 HydrophobicContact CG2-CD2 4.3Å; V25-A55 HydrophobicContact CG2-CB 3.87Å; V25-E56 VanDerWaalsContact CB-O 3.32Å; V25-E56 WeakPolarHBondContact CB-O 3.47Å; V25-E56 WeakPolarHBondContact CG2-O 3.44Å; V25-V59 HydrophobicContact CG2-CB 3.98Å; V25-V59 HydrophobicContact CG2-CG1 4.24Å; V25-V59 PolarHBondContact N-O 3.04Å; V25-L61 HydrophobicContact CG2-CD2 4.42Å; V25-L64 HydrophobicContact CG2-CD1 3.94Å
26M94.8Very high92Very high37 Ų3730.8 Ų30.818%0.18218%0.176CC..Hα-helixtrans-61.5-42.4172.8-173.659.484.100112.1T24 L28 K29 Q30 P40 D57 T218 V226T24-M26 PolarHBondContact O-N 3.06Å; T24-M26 PolarHBondContact OG1-N 3.03Å; M26-L28 VanDerWaalsContact C-N 3.26Å; M26-L28 PolarHBondContact O-N 3Å; M26-K29 PolarHBondContact O-N 2.8Å; M26-K29 VanDerWaalsContact O-N 3.13Å; M26-K29 HydrophobicContact SD-CD 4.49Å; M26-Q30 HydrophobicContact CG-CG 4.45Å; M26-Q30 WeakPolarHBondContact O-CG 3.48Å; M26-Q30 PolarHBondContact O-N 2.69Å; M26-P40 HydrophobicContact SD-CB 4.06Å; M26-D57 HydrophobicContact CB-CB 4.1Å; M26-D57 HydrophobicContact CE-CB 3.88Å; M26-D57 WeakPolarHBondContact CE-OD2 3.03Å; M26-D57 PolarHBondContact N-O 3.42Å; M26-T218 HydrophobicContact CG-CG2 3.84Å; M26-V226 HydrophobicContact CB-CG1 3.98Å; M26-V226 HydrophobicContact CG-CG1 4.02Å
27D94.3Very high91.6Very high5 Ų532.5 Ų32.53%0.02720%0.195CC..Hα-helixtrans-61.9-36175.9-68.3-53.2000112.2L19 D23 T24 S31 K117 T218L19-D27 HydrophobicContact CD2-CB 4.36Å; D23-D27 WeakPolarHBondContact CA-OD2 3.4Å; D23-D27 HydrophobicContact CB-CB 3.85Å; T24-D27 PolarHBondContact N-OD2 2.97Å; T24-D27 WeakPolarHBondContact O-CB 3.4Å; T24-D27 PolarHBondContact O-N 2.63Å; T24-D27 VanDerWaalsContact O-N 3.15Å; T24-D27 PolarHBondContact OG1-N 3.13Å; T24-D27 PolarHBondContact OG1-OD2 3.21Å; D27-S31 WeakPolarHBondContact O-CB 3.48Å; D27-S31 PolarHBondContact O-N 3.12Å; D27-S31 PolarHBondContact O-OG 2.93Å; D27-K117 IonicContact OD1-NZ 3.56Å; D27-K117 PolarHBondContact OD1-NZ 3.44Å; D27-K117 WeakPolarHBondContact OD2-CE 3.49Å; D27-K117 IonicContact OD2-NZ 2.55Å; D27-K117 PolarHBondContact OD2-NZ 3.44Å; D27-T218 VanDerWaalsContact CG-OG1 3.31Å; D27-T218 PolarHBondContact OD1-OG1 3.02Å
28L95.1Very high91.6Very high1 Ų128.5 Ų28.51%0.00517%0.167CC..Hα-helixtrans-63.9-47.3172175.562.3000111.2V5 I7 I16 L19 T24 V25 M26 Q30 S31 I32 L45 L48 L61 I72V5-L28 HydrophobicContact CG2-CD1 3.83Å; I7-L28 HydrophobicContact CD1-CD1 4.43Å; I16-L28 HydrophobicContact CD1-CD1 3.8Å; L19-L28 HydrophobicContact CD1-CB 3.98Å; L19-L28 HydrophobicContact CD1-CD1 3.87Å; T24-L28 PolarHBondContact O-N 3.22Å; T24-L28 VanDerWaalsContact O-N 3.11Å; V25-L28 WeakPolarHBondContact O-CB 3.33Å; V25-L28 PolarHBondContact O-N 3.22Å; M26-L28 VanDerWaalsContact C-N 3.26Å; M26-L28 PolarHBondContact O-N 3Å; L28-Q30 VanDerWaalsContact C-N 3.33Å; L28-Q30 PolarHBondContact O-N 2.94Å; L28-S31 WeakPolarHBondContact O-CB 3.32Å; L28-S31 PolarHBondContact O-N 2.78Å; L28-I32 HydrophobicContact CD1-CD1 4.24Å; L28-I32 HydrophobicContact CD1-CG1 4.43Å; L28-I32 HydrophobicContact CG-CD1 4.08Å; L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.42Å; L28-I32 PolarHBondContact O-N 3.22Å; L28-L45 HydrophobicContact CD2-CD1 3.99Å; L28-L45 HydrophobicContact CG-CD1 4.42Å; L28-L48 HydrophobicContact CD2-CD2 4.11Å; L28-L61 HydrophobicContact CB-CD1 4.46Å; L28-L61 HydrophobicContact CB-CD2 4.14Å; L28-L61 HydrophobicContact CD2-CD2 4.18Å; L28-I72 HydrophobicContact CD2-CD1 4.43Å
29K95.2Very high91.6Very high28 Ų2827 Ų2712%0.12216%0.155CC..Hα-helixtrans-60.7-41.2177.1-72.7178.3170.6178.20112.4V25 M26 S31 I32 K33 P40 Q43 L45 D57V25-K29 PolarHBondContact O-N 3.38Å; M26-K29 PolarHBondContact O-N 2.8Å; M26-K29 VanDerWaalsContact O-N 3.13Å; M26-K29 HydrophobicContact SD-CD 4.49Å; K29-S31 PolarHBondContact O-N 3.32Å; K29-I32 WeakPolarHBondContact O-CB 3.24Å; K29-I32 PolarHBondContact O-N 3.19Å; K29-K33 PolarHBondContact O-N 3.33Å; K29-P40 HydrophobicContact CB-CB 3.93Å; K29-P40 HydrophobicContact CB-CG 4.47Å; K29-P40 HydrophobicContact CD-CB 4.21Å; K29-Q43 VanDerWaalsContact CB-OE1 3.31Å; K29-Q43 PolarHBondContact O-NE2 3.08Å; K29-Q43 PolarHBondContact O-OE1 3.36Å; K29-L45 HydrophobicContact CG-CD1 4.2Å; K29-D57 WeakPolarHBondContact CD-OD1 3.41Å; K29-D57 WeakPolarHBondContact CE-OD1 3.15Å; K29-D57 VanDerWaalsContact NZ-CG 3.33Å; K29-D57 IonicContact NZ-OD1 3.04Å; K29-D57 PolarHBondContact NZ-OD1 3.22Å; K29-D57 IonicContact NZ-OD2 2.75Å; K29-D57 PolarHBondContact NZ-OD2 3.42Å; K29-D57 VanDerWaalsContact NZ-OD2 3.16Å
30Q91.9Very high91.6Very high14 Ų1427.3 Ų27.37%0.06516%0.157CC..Hα-helixtrans-63.2-42.1175.2-71.9-71.74.600111.6M26 L28 I32 K33 S34 P40 T218 E228M26-Q30 HydrophobicContact CG-CG 4.45Å; M26-Q30 WeakPolarHBondContact O-CG 3.48Å; M26-Q30 PolarHBondContact O-N 2.69Å; L28-Q30 VanDerWaalsContact C-N 3.33Å; L28-Q30 PolarHBondContact O-N 2.94Å; Q30-I32 VanDerWaalsContact C-N 3.28Å; Q30-I32 PolarHBondContact O-N 2.85Å; Q30-K33 WeakPolarHBondContact O-CB 3.21Å; Q30-K33 PolarHBondContact O-N 2.82Å; Q30-K33 VanDerWaalsContact O-N 3.17Å; Q30-S34 PolarHBondContact O-N 2.86Å; Q30-S34 PolarHBondContact O-OG 3.26Å; Q30-P40 HydrophobicContact CG-CG 4.46Å; Q30-T218 HydrophobicContact CG-CG2 4.17Å; Q30-E228 PolarHBondContact NE2-OE1 2.83Å
31S91.8Very high91.4Very high13 Ų1331.6 Ų31.69%0.09117%0.173CC..Hα-helixtrans-62.8-36.4174.5-580000112.2L19 D27 L28 K29 S34 L35L19-S31 WeakPolarHBondContact CD2-OG 3.25Å; D27-S31 WeakPolarHBondContact O-CB 3.48Å; D27-S31 PolarHBondContact O-N 3.12Å; D27-S31 PolarHBondContact O-OG 2.93Å; L28-S31 WeakPolarHBondContact O-CB 3.32Å; L28-S31 PolarHBondContact O-N 2.78Å; K29-S31 PolarHBondContact O-N 3.32Å; S31-S34 PolarHBondContact O-N 3.33Å; S31-L35 WeakPolarHBondContact O-CG 3.18Å; S31-L35 PolarHBondContact O-N 3.14Å
32I93.8Very high91.2Very high2 Ų233.3 Ų33.31%0.0118%0.177CC..Hα-helixtrans-66.6-42.2173.5-69168.9000111.2I7 I16 L28 K29 Q30 S34 L35 T36 Q43 L45 M74I7-I32 HydrophobicContact CB-CG1 4.5Å; I7-I32 HydrophobicContact CD1-CD1 3.84Å; I7-I32 HydrophobicContact CD1-CG1 4.35Å; I7-I32 HydrophobicContact CG1-CD1 3.86Å; I7-I32 HydrophobicContact CG1-CG1 3.82Å; I7-I32 HydrophobicContact CG2-CD1 4.1Å; I7-I32 HydrophobicContact CG2-CG1 4.22Å; I16-I32 HydrophobicContact CD1-CG1 3.71Å; L28-I32 HydrophobicContact CD1-CD1 4.24Å; L28-I32 HydrophobicContact CD1-CG1 4.43Å; L28-I32 HydrophobicContact CG-CD1 4.08Å; L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.42Å; L28-I32 PolarHBondContact O-N 3.22Å; K29-I32 WeakPolarHBondContact O-CB 3.24Å; K29-I32 PolarHBondContact O-N 3.19Å; Q30-I32 VanDerWaalsContact C-N 3.28Å; Q30-I32 PolarHBondContact O-N 2.85Å; I32-S34 VanDerWaalsContact C-N 3.32Å; I32-S34 PolarHBondContact O-N 3.42Å; I32-L35 PolarHBondContact O-N 3.49Å; I32-T36 HydrophobicContact CG2-CG2 4.05Å; I32-T36 WeakPolarHBondContact O-CB 3.48Å; I32-T36 WeakPolarHBondContact O-CG2 3.48Å; I32-T36 PolarHBondContact O-N 3.05Å; I32-T36 PolarHBondContact O-OG1 2.59Å; I32-Q43 HydrophobicContact CG2-CG 4.26Å; I32-L45 HydrophobicContact CD1-CD1 4.36Å; I32-L45 HydrophobicContact CD1-CD2 3.51Å; I32-M74 HydrophobicContact CG2-CE 3.64Å
33K91.2Very high91.4Very high37 Ų3729.4 Ų29.416%0.16116%0.159CC..Hα-helixtrans-57.5-46.5175.5178.9-161.4178.4173.10110.3K29 Q30 L35 T36 G37 V38 L39 P40 S213K29-K33 PolarHBondContact O-N 3.33Å; Q30-K33 WeakPolarHBondContact O-CB 3.21Å; Q30-K33 PolarHBondContact O-N 2.82Å; Q30-K33 VanDerWaalsContact O-N 3.17Å; K33-L35 PolarHBondContact O-N 2.89Å; K33-T36 PolarHBondContact O-N 3.33Å; K33-G37 VanDerWaalsContact O-CA 3.27Å; K33-G37 WeakPolarHBondContact O-CA 3.48Å; K33-G37 PolarHBondContact O-N 2.75Å; K33-V38 WeakPolarHBondContact CA-O 3.33Å; K33-V38 WeakPolarHBondContact CB-O 3.48Å; K33-L39 HydrophobicContact CD-CD2 4.29Å; K33-L39 HydrophobicContact CG-CD2 4.48Å; K33-P40 HydrophobicContact CD-CG 4.37Å; K33-S213 PolarHBondContact NZ-OG 2.79Å
34S85.3Confident91.3Very high79 Ų7935.6 Ų35.655%0.55219%0.185SC*.Hα-helixtrans-61.2-30.4179.2-56.20000113.7Q30 S31 I32Q30-S34 PolarHBondContact O-N 2.86Å; Q30-S34 PolarHBondContact O-OG 3.26Å; S31-S34 PolarHBondContact O-N 3.33Å; I32-S34 VanDerWaalsContact C-N 3.32Å; I32-S34 PolarHBondContact O-N 3.42Å
35L88.7Confident91.3Very high84 Ų8436.3 Ų36.344%0.4419%0.189SC..Hα-helixtrans-91.3-32.1-179.3-65.8174.9000113.3Y14 I16 S31 I32 K33Y14-L35 HydrophobicContact CD1-CB 3.93Å; I16-L35 HydrophobicContact CD1-CD1 4.21Å; I16-L35 HydrophobicContact CG1-CD1 3.71Å; S31-L35 WeakPolarHBondContact O-CG 3.18Å; S31-L35 PolarHBondContact O-N 3.14Å; I32-L35 PolarHBondContact O-N 3.49Å; K33-L35 PolarHBondContact O-N 2.89Å
36T89.6Confident91.1Very high3 Ų339.7 Ų39.72%0.01821%0.206CC..Hα-helixtrans-112.2-19.7-170.467.40000113.5W9 Y14 I32 K33 V38 M74 R78W9-T36 HydrophobicContact CD2-CG2 4.36Å; W9-T36 HydrophobicContact CE3-CG2 3.8Å; W9-T36 HydrophobicContact CZ3-CG2 4.41Å; Y14-T36 HydrophobicContact CD1-CG2 4.33Å; Y14-T36 HydrophobicContact CD2-CG2 4.05Å; Y14-T36 HydrophobicContact CE1-CG2 4.19Å; Y14-T36 HydrophobicContact CE2-CG2 3.93Å; Y14-T36 HydrophobicContact CG-CG2 4.25Å; I32-T36 HydrophobicContact CG2-CG2 4.05Å; I32-T36 WeakPolarHBondContact O-CB 3.48Å; I32-T36 WeakPolarHBondContact O-CG2 3.48Å; I32-T36 PolarHBondContact O-N 3.05Å; I32-T36 PolarHBondContact O-OG1 2.59Å; K33-T36 PolarHBondContact O-N 3.33Å; T36-V38 PolarHBondContact O-N 3.46Å; T36-V38 PolarHBondContact OG1-N 3.39Å; T36-M74 HydrophobicContact CG2-CE 4.16Å; T36-R78 WeakPolarHBondContact O-CG 3.28Å; T36-R78 PolarHBondContact O-NE 3.13Å; T36-R78 PolarHBondContact O-NH2 2.93Å
37G85.6Confident90.6Very high41 Ų4141 Ų4142%0.42323%0.23SC..  trans73.52.6-171.600000114.7K33K33-G37 VanDerWaalsContact O-CA 3.27Å; K33-G37 WeakPolarHBondContact O-CA 3.48Å; K33-G37 PolarHBondContact O-N 2.75Å
38V88.9Confident90.3Very high0 Ų041.2 Ų41.20%023%0.231CC..  trans-82.5125.9177.2-178.40000109.1W9 K33 T36 R42 Q43 M74 R78W9-V38 HydrophobicContact CD2-CG2 4.4Å; W9-V38 HydrophobicContact CH2-CG2 4.1Å; W9-V38 HydrophobicContact CZ2-CG2 3.51Å; K33-V38 WeakPolarHBondContact CA-O 3.33Å; K33-V38 WeakPolarHBondContact CB-O 3.48Å; T36-V38 PolarHBondContact O-N 3.46Å; T36-V38 PolarHBondContact OG1-N 3.39Å; V38-R42 HydrophobicContact CG1-CB 4.05Å; V38-Q43 HydrophobicContact CB-CG 4.22Å; V38-Q43 HydrophobicContact CG1-CG 3.71Å; V38-Q43 PolarHBondContact O-NE2 3.2Å; V38-M74 HydrophobicContact CB-CE 4.18Å; V38-M74 HydrophobicContact CG1-CE 4.46Å; V38-M74 HydrophobicContact CG1-SD 4.49Å; V38-M74 HydrophobicContact CG2-CE 4.05Å; V38-R78 HydrophobicContact CG2-CG 4.03Å
39L87.3Confident89.9Confident23 Ų2347.3 Ų47.312%0.1226%0.257CS..  trans-66.3144.3-178.8-61.4-178.1000112.7K33 E41 R42 Q43 E79K33-L39 HydrophobicContact CD-CD2 4.29Å; K33-L39 HydrophobicContact CG-CD2 4.48Å; L39-E41 VanDerWaalsContact C-N 3.27Å; L39-E41 VanDerWaalsContact CB-CD 3.5Å; L39-E41 WeakPolarHBondContact CB-OE1 2.79Å; L39-E41 WeakPolarHBondContact CB-OE2 3.33Å; L39-E41 WeakPolarHBondContact CD1-OE1 3.47Å; L39-E41 PolarHBondContact O-N 3.34Å; L39-E41 VanDerWaalsContact O-N 3.17Å; L39-R42 HydrophobicContact CB-CG 4.41Å; L39-R42 CarbonylContact O-C 3.55Å; L39-R42 WeakPolarHBondContact O-CA 3.36Å; L39-R42 WeakPolarHBondContact O-CB 3.12Å; L39-R42 PolarHBondContact O-N 3.43Å; L39-Q43 WeakPolarHBondContact O-CG 3.49Å; L39-Q43 PolarHBondContact O-N 2.85Å; L39-E79 HydrophobicContact CD1-CG 4.34Å; L39-E79 WeakPolarHBondContact CD1-OE1 3.15Å
40P90.6Very high89.5Confident9 Ų948.5 Ų48.56%0.05827%0.265CS..G310 helixtrans-49.2-41.4-176.3-31.437.8000115M26 K29 Q30 K33 R42 Q43M26-P40 HydrophobicContact SD-CB 4.06Å; K29-P40 HydrophobicContact CB-CB 3.93Å; K29-P40 HydrophobicContact CB-CG 4.47Å; K29-P40 HydrophobicContact CD-CB 4.21Å; Q30-P40 HydrophobicContact CG-CG 4.46Å; K33-P40 HydrophobicContact CD-CG 4.37Å; P40-R42 VanDerWaalsContact C-N 3.27Å; P40-R42 PolarHBondContact O-N 3.27Å; P40-Q43 WeakPolarHBondContact O-CB 3.28Å; P40-Q43 PolarHBondContact O-N 3.01Å
41E88.3Confident89Confident123 Ų12357.9 Ų57.958%0.57531%0.305SS*.G310 helixtrans-69.3-23.6178.566.6-80-175.500113.1L39L39-E41 VanDerWaalsContact C-N 3.27Å; L39-E41 VanDerWaalsContact CB-CD 3.5Å; L39-E41 WeakPolarHBondContact CB-OE1 2.79Å; L39-E41 WeakPolarHBondContact CB-OE2 3.33Å; L39-E41 WeakPolarHBondContact CD1-OE1 3.47Å; L39-E41 PolarHBondContact O-N 3.34Å; L39-E41 VanDerWaalsContact O-N 3.17Å
42R89.1Confident88.5Confident96 Ų9660 Ų6036%0.36233%0.329SS..G310 helixtrans-91.1-2.2174.4-57.7-171.3-174.2-170.14.7112.9V38 L39 P40 G76 E79V38-R42 HydrophobicContact CG1-CB 4.05Å; L39-R42 HydrophobicContact CB-CG 4.41Å; L39-R42 CarbonylContact O-C 3.55Å; L39-R42 WeakPolarHBondContact O-CA 3.36Å; L39-R42 WeakPolarHBondContact O-CB 3.12Å; L39-R42 PolarHBondContact O-N 3.43Å; P40-R42 VanDerWaalsContact C-N 3.27Å; P40-R42 PolarHBondContact O-N 3.27Å; R42-G76 WeakPolarHBondContact O-CA 3.42Å; R42-E79 IonicContact CZ-OE1 3.15Å; R42-E79 IonicContact NH2-OE1 3.4Å; R42-E79 PolarHBondContact NH2-OE1 2.76Å
43Q93.9Very high88.2Confident10 Ų1067.3 Ų67.35%0.04736%0.361CS..  trans-91.6116-179.7-65.6170.331.200111.9K29 I32 V38 L39 P40 M74K29-Q43 VanDerWaalsContact CB-OE1 3.31Å; K29-Q43 PolarHBondContact O-NE2 3.08Å; K29-Q43 PolarHBondContact O-OE1 3.36Å; I32-Q43 HydrophobicContact CG2-CG 4.26Å; V38-Q43 HydrophobicContact CB-CG 4.22Å; V38-Q43 HydrophobicContact CG1-CG 3.71Å; V38-Q43 PolarHBondContact O-NE2 3.2Å; L39-Q43 WeakPolarHBondContact O-CG 3.49Å; L39-Q43 PolarHBondContact O-N 2.85Å; P40-Q43 WeakPolarHBondContact O-CB 3.28Å; P40-Q43 PolarHBondContact O-N 3.01Å; Q43-M74 HydrophobicContact CB-CG 4.34Å; Q43-M74 HydrophobicContact CG-CG 4.5Å; Q43-M74 HydrophobicContact CG-SD 4.37Å
44K93.2Very high88.1Confident132 Ų13270.3 Ų70.357%0.57438%0.384SS*.EExtended strand (participates in β ladder)trans-104.7102170.9-170.8170-178.6174.70110.3L46 M74 M75K44-L46 HydrophobicContact CD-CD2 4.48Å; K44-L46 HydrophobicContact CG-CD2 4.16Å; K44-L46 PolarHBondContact O-N 3.44Å; K44-M74 WeakPolarHBondContact O-CA 3.46Å; K44-M75 HydrophobicContact CB-CB 4.35Å; K44-M75 HydrophobicContact CD-CE 3.84Å; K44-M75 PolarHBondContact N-O 3.47Å; K44-M75 PolarHBondContact O-N 3.42Å
45L94.2Very high88.4Confident23 Ų2367.4 Ų67.412%0.1237%0.365CS..EExtended strand (participates in β ladder)trans-82.4105.2178.8-55.1-178.7000110.6L28 K29 I32 L48 I72 M74L28-L45 HydrophobicContact CD2-CD1 3.99Å; L28-L45 HydrophobicContact CG-CD1 4.42Å; K29-L45 HydrophobicContact CG-CD1 4.2Å; I32-L45 HydrophobicContact CD1-CD1 4.36Å; I32-L45 HydrophobicContact CD1-CD2 3.51Å; L45-L48 HydrophobicContact CB-CB 4.13Å; L45-L48 HydrophobicContact CB-CD2 4.24Å; L45-L48 HydrophobicContact CD1-CD2 3.7Å; L45-I72 HydrophobicContact CB-CG2 4.18Å; L45-I72 HydrophobicContact CD2-CG2 4.46Å; L45-M74 HydrophobicContact CD2-CB 3.95Å; L45-M74 HydrophobicContact CD2-CG 3.71Å
46L91Very high88.6Confident73 Ų7369.9 Ų69.938%0.38237%0.374SS..EExtended strand (participates in β ladder)trans-78.7132.8-177.2-59.2-179.6000111.2K44 L48 M73 M75K44-L46 HydrophobicContact CD-CD2 4.48Å; K44-L46 HydrophobicContact CG-CD2 4.16Å; K44-L46 PolarHBondContact O-N 3.44Å; L46-L48 VanDerWaalsContact C-N 3.25Å; L46-L48 PolarHBondContact O-N 3.05Å; L46-M73 HydrophobicContact CB-CB 4.13Å; L46-M73 WeakPolarHBondContact CB-O 3.42Å; L46-M73 HydrophobicContact CD1-CB 4.09Å; L46-M73 HydrophobicContact CG-CB 4.49Å; L46-M73 PolarHBondContact N-O 2.83Å; L46-M75 HydrophobicContact CD1-CE 4.33Å; L46-M75 HydrophobicContact CD1-CG 4.04Å; L46-M75 HydrophobicContact CD1-SD 4.18Å; L46-M75 HydrophobicContact CD2-CE 4.11Å
47G83.5Confident88.7Confident66 Ų6671.6 Ų71.668%0.6838%0.383SS*.THydrogen-bonded Turntrans83.4-6.9177.900000114.6K49G47-K49 PolarHBondContact O-N 3.07Å
48L89.3Confident89Confident9 Ų973.8 Ų73.85%0.04738%0.383CS..  trans-80.795.1173.8-156.268.1000109.7V25 L28 L45 L46 A55 L64 L66 I72V25-L48 HydrophobicContact CG1-CD2 4.37Å; V25-L48 HydrophobicContact CG2-CD2 4.3Å; L28-L48 HydrophobicContact CD2-CD2 4.11Å; L45-L48 HydrophobicContact CB-CB 4.13Å; L45-L48 HydrophobicContact CB-CD2 4.24Å; L45-L48 HydrophobicContact CD1-CD2 3.7Å; L46-L48 VanDerWaalsContact C-N 3.25Å; L46-L48 PolarHBondContact O-N 3.05Å; L48-A55 HydrophobicContact CG-CB 4.29Å; L48-A55 PolarHBondContact O-N 2.98Å; L48-A55 VanDerWaalsContact O-N 3.09Å; L48-L64 HydrophobicContact CD1-CD1 3.82Å; L48-L64 HydrophobicContact CD2-CD1 4.14Å; L48-L64 HydrophobicContact CG-CD1 4.02Å; L48-L64 HydrophobicContact CG-CD2 4.49Å; L48-L66 HydrophobicContact CD1-CD1 4.24Å; L48-L66 HydrophobicContact CD1-CD2 3.83Å; L48-I72 HydrophobicContact CD1-CD1 3.96Å
49K86.8Confident89.2Confident128 Ų12875.1 Ų75.156%0.55739%0.39SS*.EExtended strand (participates in β ladder)trans-132.4144.5-171.6-65.8-177.3177.9-172.10113.1G47 K53G47-K49 PolarHBondContact O-N 3.07Å; K49-K53 CarbonylContact C-O 3.56Å; K49-K53 WeakPolarHBondContact CA-O 2.96Å; K49-K53 WeakPolarHBondContact CB-O 3.11Å
50I85.5Confident89.5Confident53 Ų5378 Ų7827%0.27240%0.402SS..EExtended strand (participates in β ladder)trans-115.3126.2165.8-67.5-168000109.1G52 K53 A55 V59 L64I50-G52 PolarHBondContact O-N 3.36Å; I50-K53 PolarHBondContact N-O 2.73Å; I50-K53 PolarHBondContact O-N 2.82Å; I50-A55 HydrophobicContact CG1-CB 4.41Å; I50-V59 HydrophobicContact CD1-CB 4.24Å; I50-V59 HydrophobicContact CD1-CG1 3.2Å; I50-V59 HydrophobicContact CD1-CG2 3.98Å; I50-V59 HydrophobicContact CG1-CG1 4.36Å; I50-L64 HydrophobicContact CD1-CD2 3.76Å; I50-L64 HydrophobicContact CG1-CD2 3.51Å
51K82.4Confident89.6Confident211 Ų21177.7 Ų77.792%0.91740%0.4SS*.THydrogen-bonded Turntrans48.738.4179.1-62.7176.7179.4177.30112.8K53K51-K53 VanDerWaalsContact C-N 3.31Å; K51-K53 PolarHBondContact O-N 3.18Å
52G81.6Confident89.7Confident58 Ų5873.1 Ų73.160%0.59839%0.386SS*.THydrogen-bonded Turntrans83.9-11.4179.100000116.1I50I50-G52 PolarHBondContact O-N 3.36Å
53K86.4Confident89.8Confident155 Ų15571.6 Ų71.667%0.67439%0.39SS*.EExtended strand (participates in β ladder)trans-96.5152.6175.4-65.3-175.1177.9-175.80111.4K49 I50 K51K49-K53 CarbonylContact C-O 3.56Å; K49-K53 WeakPolarHBondContact CA-O 2.96Å; K49-K53 WeakPolarHBondContact CB-O 3.11Å; I50-K53 PolarHBondContact N-O 2.73Å; I50-K53 PolarHBondContact O-N 2.82Å; K51-K53 VanDerWaalsContact C-N 3.31Å; K51-K53 PolarHBondContact O-N 3.18Å
54P88.4Confident89.6Confident101 Ų10172.3 Ų72.366%0.65639%0.394SS*.EExtended strand (participates in β ladder)trans-52.8142.1170.3-23.534.4000111.2
55A92.4Very high89.3Confident17 Ų1775 Ų7514%0.1441%0.406CS..PPolyproline II helixtrans-69.9130.7175.600000110.5V25 L48 I50 L64V25-A55 HydrophobicContact CG2-CB 3.87Å; L48-A55 HydrophobicContact CG-CB 4.29Å; L48-A55 PolarHBondContact O-N 2.98Å; L48-A55 VanDerWaalsContact O-N 3.09Å; I50-A55 HydrophobicContact CG1-CB 4.41Å; A55-L64 HydrophobicContact CB-CD2 3.8Å
56E92.1Very high89Confident137 Ų13776 Ų7664%0.6441%0.411SS*.PPolyproline II helixtrans-77.9165.1175.8-67.1172-173.200110.9V25 E58 V59V25-E56 VanDerWaalsContact CB-O 3.32Å; V25-E56 WeakPolarHBondContact CB-O 3.47Å; V25-E56 WeakPolarHBondContact CG2-O 3.44Å; E56-E58 VanDerWaalsContact C-N 3.31Å; E56-E58 PolarHBondContact O-N 3.48Å; E56-V59 HydrophobicContact CB-CG2 4.17Å; E56-V59 VanDerWaalsContact O-CB 3.26Å; E56-V59 WeakPolarHBondContact O-CB 3.46Å; E56-V59 WeakPolarHBondContact O-CG2 3.44Å; E56-V59 PolarHBondContact O-N 2.82Å
57D92.4Very high88.9Confident38 Ų3880.4 Ų80.420%0.20343%0.427CS..THydrogen-bonded Turntrans-71.7-25.1-167.2-81.1-15.9000113.7T24 M26 K29 V59T24-D57 VanDerWaalsContact CB-O 3.26Å; T24-D57 WeakPolarHBondContact CB-O 2.96Å; T24-D57 PolarHBondContact OG1-O 2.84Å; M26-D57 HydrophobicContact CB-CB 4.1Å; M26-D57 HydrophobicContact CE-CB 3.88Å; M26-D57 WeakPolarHBondContact CE-OD2 3.03Å; M26-D57 PolarHBondContact N-O 3.42Å; K29-D57 WeakPolarHBondContact CD-OD1 3.41Å; K29-D57 WeakPolarHBondContact CE-OD1 3.15Å; K29-D57 VanDerWaalsContact NZ-CG 3.33Å; K29-D57 IonicContact NZ-OD1 3.04Å; K29-D57 PolarHBondContact NZ-OD1 3.22Å; K29-D57 IonicContact NZ-OD2 2.75Å; K29-D57 PolarHBondContact NZ-OD2 3.42Å; K29-D57 VanDerWaalsContact NZ-OD2 3.16Å; D57-V59 VanDerWaalsContact C-N 3.32Å
58E91.8Very high89.2Confident88 Ų8882.4 Ų82.441%0.41143%0.428SS..THydrogen-bonded Turntrans-80.4-14.6179.1-58.867.8-151.700112.7E56 K60 V226E56-E58 VanDerWaalsContact C-N 3.31Å; E56-E58 PolarHBondContact O-N 3.48Å; E58-K60 PolarHBondContact O-N 3.29Å; E58-V226 HydrophobicContact CB-CG2 4.23Å; E58-V226 HydrophobicContact CG-CG2 4.05Å
59V92.9Very high89.2Confident27 Ų2786.4 Ų86.416%0.16445%0.449CS..  trans-66.6123.9-175.4169.80000110.5T24 V25 I50 E56 D57 S63 L64T24-V59 CarbonylContact C-O 3.58Å; T24-V59 VanDerWaalsContact CA-O 3.24Å; T24-V59 WeakPolarHBondContact CA-O 3.43Å; V25-V59 HydrophobicContact CG2-CB 3.98Å; V25-V59 HydrophobicContact CG2-CG1 4.24Å; V25-V59 PolarHBondContact N-O 3.04Å; I50-V59 HydrophobicContact CD1-CB 4.24Å; I50-V59 HydrophobicContact CD1-CG1 3.2Å; I50-V59 HydrophobicContact CD1-CG2 3.98Å; I50-V59 HydrophobicContact CG1-CG1 4.36Å; E56-V59 HydrophobicContact CB-CG2 4.17Å; E56-V59 VanDerWaalsContact O-CB 3.26Å; E56-V59 WeakPolarHBondContact O-CB 3.46Å; E56-V59 WeakPolarHBondContact O-CG2 3.44Å; E56-V59 PolarHBondContact O-N 2.82Å; D57-V59 VanDerWaalsContact C-N 3.32Å; V59-S63 WeakPolarHBondContact CG1-OG 3.32Å; V59-L64 HydrophobicContact CG1-CD2 4.08Å; V59-L64 HydrophobicContact CG1-CG 4.23Å
60K93.3Very high89.5Confident85 Ų8582.4 Ų82.437%0.3744%0.435SS..BIsolated β-bridgetrans-64.4137.5172.3-70.4-168.9169.9-167.30111.9E22 D23 E58 G62 S63 E113E22-K60 IonicContact OE2-NZ 3.04Å; E22-K60 PolarHBondContact OE2-NZ 2.55Å; D23-K60 CarbonylContact O-C 3.4Å; D23-K60 WeakPolarHBondContact O-CA 3.45Å; E58-K60 PolarHBondContact O-N 3.29Å; K60-G62 PolarHBondContact O-N 2.71Å; K60-S63 WeakPolarHBondContact O-CB 3.46Å; K60-S63 PolarHBondContact O-N 3.36Å; K60-S63 PolarHBondContact O-OG 3.35Å; K60-E113 IonicContact NZ-OE2 2.67Å
61L93Very high89.9Confident2 Ų285.1 Ų85.11%0.0145%0.445CS..G310 helixtrans-61.4-32.2-178.5-66.6179000112.6V3 L19 D23 V25 L28 S63 L64V3-L61 HydrophobicContact CG1-CD1 4.32Å; V3-L61 HydrophobicContact CG2-CB 4.22Å; L19-L61 HydrophobicContact CB-CD1 4.01Å; L19-L61 HydrophobicContact CD1-CD1 3.79Å; D23-L61 HydrophobicContact CB-CD1 4.09Å; D23-L61 VanDerWaalsContact O-CG 3.31Å; D23-L61 WeakPolarHBondContact O-CG 3.47Å; D23-L61 PolarHBondContact O-N 2.87Å; V25-L61 HydrophobicContact CG2-CD2 4.42Å; L28-L61 HydrophobicContact CB-CD1 4.46Å; L28-L61 HydrophobicContact CB-CD2 4.14Å; L28-L61 HydrophobicContact CD2-CD2 4.18Å; L61-S63 PolarHBondContact O-N 2.85Å; L61-L64 HydrophobicContact CD2-CD1 3.8Å; L61-L64 WeakPolarHBondContact O-CB 3.49Å; L61-L64 PolarHBondContact O-N 3.3Å; L61-L64 VanDerWaalsContact O-N 3.09Å
62G90.8Very high90.6Very high27 Ų2775.3 Ų75.328%0.27840%0.403SS..G310 helixtrans-59.8-29.8174.900000113.7E21 K60 L64 K65E21-G62 PolarHBondContact O-N 3.07Å; K60-G62 PolarHBondContact O-N 2.71Å; G62-L64 PolarHBondContact O-N 3.48Å; G62-K65 PolarHBondContact O-N 2.96Å
63S91.3Very high91.2Very high64 Ų6477.2 Ų77.245%0.44840%0.398SS..G310 helixtrans-70.9-21178.275.40000113.4V59 K60 L61 K65V59-S63 WeakPolarHBondContact CG1-OG 3.32Å; K60-S63 WeakPolarHBondContact O-CB 3.46Å; K60-S63 PolarHBondContact O-N 3.36Å; K60-S63 PolarHBondContact O-OG 3.35Å; L61-S63 PolarHBondContact O-N 2.85Å; S63-K65 VanDerWaalsContact C-N 3.29Å; S63-K65 PolarHBondContact O-N 2.77Å
64L89.7Confident91.7Very high25 Ų2570.2 Ų70.213%0.13137%0.367CS..G310 helixtrans-79.9-11.9-179.6-59.4170.4000112.6V25 L48 I50 A55 V59 L61 G62 L66V25-L64 HydrophobicContact CG2-CD1 3.94Å; L48-L64 HydrophobicContact CD1-CD1 3.82Å; L48-L64 HydrophobicContact CD2-CD1 4.14Å; L48-L64 HydrophobicContact CG-CD1 4.02Å; L48-L64 HydrophobicContact CG-CD2 4.49Å; I50-L64 HydrophobicContact CD1-CD2 3.76Å; I50-L64 HydrophobicContact CG1-CD2 3.51Å; A55-L64 HydrophobicContact CB-CD2 3.8Å; V59-L64 HydrophobicContact CG1-CD2 4.08Å; V59-L64 HydrophobicContact CG1-CG 4.23Å; L61-L64 HydrophobicContact CD2-CD1 3.8Å; L61-L64 WeakPolarHBondContact O-CB 3.49Å; L61-L64 PolarHBondContact O-N 3.3Å; L61-L64 VanDerWaalsContact O-N 3.09Å; G62-L64 PolarHBondContact O-N 3.48Å; L64-L66 HydrophobicContact CB-CD1 4.09Å; L64-L66 HydrophobicContact CB-CD2 4.31Å; L64-L66 HydrophobicContact CB-CG 3.78Å; L64-L66 HydrophobicContact CD1-CD1 4.17Å; L64-L66 PolarHBondContact O-N 3.5Å
65K86.8Confident91.8Very high188 Ų18870.1 Ų70.182%0.81736%0.359SS*.THydrogen-bonded Turntrans48.343.1179.4-61.5-178.1179.4-177.30112.6G62 S63 K67G62-K65 PolarHBondContact O-N 2.96Å; S63-K65 VanDerWaalsContact C-N 3.29Å; S63-K65 PolarHBondContact O-N 2.77Å; K65-K67 PolarHBondContact O-N 2.91Å
66L87.6Confident91.7Very high45 Ų4570.4 Ų70.424%0.23636%0.364CS..PPolyproline II helixtrans-67.3130.3-178.9-64.6167.7000109.8V3 V5 L48 L64 T70V3-L66 HydrophobicContact CG1-CD1 4.48Å; V5-L66 HydrophobicContact CG1-CD1 3.93Å; L48-L66 HydrophobicContact CD1-CD1 4.24Å; L48-L66 HydrophobicContact CD1-CD2 3.83Å; L64-L66 HydrophobicContact CB-CD1 4.09Å; L64-L66 HydrophobicContact CB-CD2 4.31Å; L64-L66 HydrophobicContact CB-CG 3.78Å; L64-L66 HydrophobicContact CD1-CD1 4.17Å; L64-L66 PolarHBondContact O-N 3.5Å; L66-T70 HydrophobicContact CD2-CG2 4.26Å
67K88.8Confident91.4Very high165 Ų16568.3 Ų68.372%0.71736%0.36SS*.PPolyproline II helixtrans-71.5150.6171.3-65.8-176.7-178.5-179.30109.5K65 N69 T70K65-K67 PolarHBondContact O-N 2.91Å; K67-N69 PolarHBondContact O-N 2.91Å; K67-T70 PolarHBondContact N-OG1 3.36Å; K67-T70 VanDerWaalsContact N-OG1 3.17Å; K67-T70 WeakPolarHBondContact O-CB 3.32Å; K67-T70 PolarHBondContact O-N 2.77Å; K67-T70 VanDerWaalsContact O-N 3.11Å; K67-T70 PolarHBondContact O-OG1 3.04Å
68P89.3Confident90.9Very high107 Ų10771.2 Ų71.270%0.69537%0.369SS*.THydrogen-bonded Turntrans-52.8137.3173.4-26.234.4000111.7T70P68-T70 PolarHBondContact O-N 3.2Å
69N90.4Very high90Very high93 Ų9369.3 Ų69.350%0.49736%0.36SS..THydrogen-bonded Turntrans59.826.3-178.3-57.3-47.8000114.5S4 I6 K67 K71S4-N69 PolarHBondContact O-N 3.34Å; S4-N69 PolarHBondContact OG-OD1 3.21Å; I6-N69 HydrophobicContact CD1-CB 4.01Å; I6-N69 HydrophobicContact CG1-CB 4.46Å; K67-N69 PolarHBondContact O-N 2.91Å; N69-K71 PolarHBondContact O-N 3.14Å
70T92.9Very high88.5Confident44 Ų4475.3 Ų75.327%0.2739%0.386SS..EExtended strand (participates in β ladder)trans-56.6127.2172.1-66.20000109.7I6 L66 K67 P68 I72I6-T70 PolarHBondContact N-O 2.86Å; L66-T70 HydrophobicContact CD2-CG2 4.26Å; K67-T70 PolarHBondContact N-OG1 3.36Å; K67-T70 VanDerWaalsContact N-OG1 3.17Å; K67-T70 WeakPolarHBondContact O-CB 3.32Å; K67-T70 PolarHBondContact O-N 2.77Å; K67-T70 VanDerWaalsContact O-N 3.11Å; K67-T70 PolarHBondContact O-OG1 3.04Å; P68-T70 PolarHBondContact O-N 3.2Å; T70-I72 HydrophobicContact CG2-CG1 4.31Å
71K94.5Very high87.1Confident110 Ų11073.1 Ų73.148%0.47838%0.381SS..EExtended strand (participates in β ladder)trans-85.7116.6178.4-67.9-177.7172.2-1480109.7I6 E13 N69I6-K71 HydrophobicContact CB-CG 4.08Å; I6-K71 HydrophobicContact CD1-CG 4.4Å; I6-K71 HydrophobicContact CG2-CG 4.31Å; I6-K71 CarbonylContact O-C 3.6Å; I6-K71 VanDerWaalsContact O-CA 3.32Å; I6-K71 WeakPolarHBondContact O-CA 3.2Å; E13-K71 VanDerWaalsContact CD-NZ 3.33Å; E13-K71 IonicContact OE1-NZ 2.86Å; E13-K71 PolarHBondContact OE1-NZ 3.12Å; E13-K71 IonicContact OE2-NZ 2.64Å; E13-K71 PolarHBondContact OE2-NZ 2.9Å; N69-K71 PolarHBondContact O-N 3.14Å
72I95.3Very high85.6Confident6 Ų679.4 Ų79.43%0.03141%0.414CS..EExtended strand (participates in β ladder)trans-110.5121.8178.3-57.6170.1000107.7V5 I6 I7 K8 L28 L45 L48 T70V5-I72 HydrophobicContact CB-CD1 4.19Å; V5-I72 HydrophobicContact CG1-CD1 4.1Å; I6-I72 PolarHBondContact O-N 3.14Å; I7-I72 WeakPolarHBondContact CA-O 3.34Å; I7-I72 HydrophobicContact CD1-CB 3.82Å; I7-I72 HydrophobicContact CD1-CD1 4.11Å; I7-I72 HydrophobicContact CD1-CG1 4.44Å; I7-I72 HydrophobicContact CD1-CG2 4.32Å; K8-I72 PolarHBondContact N-O 2.91Å; L28-I72 HydrophobicContact CD2-CD1 4.43Å; L45-I72 HydrophobicContact CB-CG2 4.18Å; L45-I72 HydrophobicContact CD2-CG2 4.46Å; L48-I72 HydrophobicContact CD1-CD1 3.96Å; T70-I72 HydrophobicContact CG2-CG1 4.31Å
73M95.9Very high84.4Confident98 Ų9885.8 Ų85.848%0.48344%0.437SS..EExtended strand (participates in β ladder)trans-78.3128.5172.6-62.4-66.6-59.500108.7K8 L46K8-M73 HydrophobicContact CB-CE 4.12Å; K8-M73 HydrophobicContact CB-SD 3.37Å; K8-M73 WeakPolarHBondContact CB-SD 3.42Å; K8-M73 HydrophobicContact CD-SD 3.33Å; K8-M73 WeakPolarHBondContact CD-SD 3.44Å; K8-M73 HydrophobicContact CG-SD 3.97Å; L46-M73 HydrophobicContact CB-CB 4.13Å; L46-M73 WeakPolarHBondContact CB-O 3.42Å; L46-M73 HydrophobicContact CD1-CB 4.09Å; L46-M73 HydrophobicContact CG-CB 4.49Å; L46-M73 PolarHBondContact N-O 2.83Å
74M95.6Very high83.1Confident7 Ų786.5 Ų86.53%0.03444%0.435CS..EExtended strand (participates in β ladder)trans-111.8134.8174.6-177-85.5-8200109.4I7 K8 W9 I32 T36 V38 Q43 K44 L45I7-M74 HydrophobicContact CG2-CB 3.77Å; K8-M74 PolarHBondContact O-N 2.81Å; W9-M74 HydrophobicContact CB-CB 4.38Å; W9-M74 HydrophobicContact CB-CE 3.66Å; W9-M74 HydrophobicContact CB-SD 4.36Å; W9-M74 HydrophobicContact CD2-CE 3.77Å; W9-M74 HydrophobicContact CG-CE 3.25Å; W9-M74 HydrophobicContact CG-SD 3.89Å; I32-M74 HydrophobicContact CG2-CE 3.64Å; T36-M74 HydrophobicContact CG2-CE 4.16Å; V38-M74 HydrophobicContact CB-CE 4.18Å; V38-M74 HydrophobicContact CG1-CE 4.46Å; V38-M74 HydrophobicContact CG1-SD 4.49Å; V38-M74 HydrophobicContact CG2-CE 4.05Å; Q43-M74 HydrophobicContact CB-CG 4.34Å; Q43-M74 HydrophobicContact CG-CG 4.5Å; Q43-M74 HydrophobicContact CG-SD 4.37Å; K44-M74 WeakPolarHBondContact O-CA 3.46Å; L45-M74 HydrophobicContact CD2-CB 3.95Å; L45-M74 HydrophobicContact CD2-CG 3.71Å
75M91.9Very high82.1Confident99 Ų9986 Ų8649%0.48843%0.434SS..EExtended strand (participates in β ladder)trans-110.8139.8166-61.3-168.2-53.300109.3K44 L46K44-M75 HydrophobicContact CB-CB 4.35Å; K44-M75 HydrophobicContact CD-CE 3.84Å; K44-M75 PolarHBondContact N-O 3.47Å; K44-M75 PolarHBondContact O-N 3.42Å; L46-M75 HydrophobicContact CD1-CE 4.33Å; L46-M75 HydrophobicContact CD1-CG 4.04Å; L46-M75 HydrophobicContact CD1-SD 4.18Å; L46-M75 HydrophobicContact CD2-CE 4.11Å
76G89.7Confident81.1Confident23 Ų2380.3 Ų80.324%0.23741%0.412CS..  trans166.3160-179.800000110.1W9 R42W9-G76 PolarHBondContact NE1-O 3.03Å; R42-G76 WeakPolarHBondContact O-CA 3.42Å
77T85.2Confident80.1Confident93 Ų9380.3 Ų80.357%0.57142%0.418SS*.  trans-118.1144.5178.147.20000110
78R83.1Confident78.9Confident100 Ų10076 Ų7638%0.37741%0.407SS..  trans-68.4162.9171.1-72.1173.8173.8172.4-0.7109.7W9 T36 V38 E80W9-R78 HydrophobicContact CH2-CG 3.75Å; W9-R78 HydrophobicContact CZ2-CG 4.1Å; T36-R78 WeakPolarHBondContact O-CG 3.28Å; T36-R78 PolarHBondContact O-NE 3.13Å; T36-R78 PolarHBondContact O-NH2 2.93Å; V38-R78 HydrophobicContact CG2-CG 4.03Å; R78-E80 HydrophobicContact CB-CG 3.61Å; R78-E80 PolarHBondContact O-N 3.15Å
79E72.9Confident77.7Confident47 Ų4772.8 Ų72.822%0.2239%0.386CS..  trans-78.298.7157.1-66-178.3155.700107.1L39 R42 D84 V85L39-E79 HydrophobicContact CD1-CG 4.34Å; L39-E79 WeakPolarHBondContact CD1-OE1 3.15Å; R42-E79 IonicContact CZ-OE1 3.15Å; R42-E79 IonicContact NH2-OE1 3.4Å; R42-E79 PolarHBondContact NH2-OE1 2.76Å; E79-D84 HydrophobicContact CB-CB 4.32Å; E79-V85 HydrophobicContact CB-CG2 3.79Å
80E60.7Low76.1Confident154 Ų15473 Ų7372%0.7239%0.392SS*.  trans-97-27.8-171.9-64.9-169.6167.800112.9R78R78-E80 HydrophobicContact CB-CG 3.61Å; R78-E80 PolarHBondContact O-N 3.15Å
81S63.1Low74.1Confident39 Ų3975.4 Ų75.427%0.27340%0.404SS..SBendtrans-86.5142.6176.580.60000111.1E83 D84 V85S81-E83 PolarHBondContact O-N 3.2Å; S81-D84 WeakPolarHBondContact CB-OD2 3.16Å; S81-D84 PolarHBondContact O-N 3.15Å; S81-D84 VanDerWaalsContact O-N 3.15Å; S81-D84 WeakPolarHBondContact OG-CB 3.39Å; S81-D84 PolarHBondContact OG-N 2.89Å; S81-D84 PolarHBondContact OG-OD2 3.08Å; S81-V85 PolarHBondContact O-N 3.3Å; S81-V85 VanDerWaalsContact O-N 3.1Å
82L62.8Low71.9Confident134 Ų13475.8 Ų75.870%0.70241%0.411SS*.Hα-helixtrans-56.3-34.5169.7-84.3153.2000110.6V85 L86L82-V85 PolarHBondContact O-N 3.26Å; L82-L86 WeakPolarHBondContact O-CB 3.4Å; L82-L86 WeakPolarHBondContact O-CG 3.23Å; L82-L86 PolarHBondContact O-N 3.42Å
83E64.2Low69.3Low161 Ų16181.9 Ų81.975%0.75244%0.444SS*.Hα-helixtrans-63.2-42176-68.5169.6-176.800112S81 L86 A87S81-E83 PolarHBondContact O-N 3.2Å; E83-L86 CarbonylContact O-C 3.59Å; E83-L86 PolarHBondContact O-N 2.79Å; E83-A87 WeakPolarHBondContact O-CB 3.37Å; E83-A87 PolarHBondContact O-N 3.17Å
84D65.6Low66.8Low78 Ų7881.3 Ų81.342%0.41744%0.443SS..Hα-helixtrans-67.7-40.2176.9-64.2-43.8000111.5E79 S81 L86 A87E79-D84 HydrophobicContact CB-CB 4.32Å; S81-D84 WeakPolarHBondContact CB-OD2 3.16Å; S81-D84 PolarHBondContact O-N 3.15Å; S81-D84 VanDerWaalsContact O-N 3.15Å; S81-D84 WeakPolarHBondContact OG-CB 3.39Å; S81-D84 PolarHBondContact OG-N 2.89Å; S81-D84 PolarHBondContact OG-OD2 3.08Å; D84-L86 VanDerWaalsContact C-N 3.31Å; D84-A87 PolarHBondContact O-N 3.33Å
85V66.9Low64.3Low15 Ų1587.9 Ų87.99%0.09148%0.483CS..Hα-helixtrans-71.2-29.4178.6175.30000111.6E79 S81 L82 K188 W189E79-V85 HydrophobicContact CB-CG2 3.79Å; S81-V85 PolarHBondContact O-N 3.3Å; S81-V85 VanDerWaalsContact O-N 3.1Å; L82-V85 PolarHBondContact O-N 3.26Å; V85-K188 HydrophobicContact CG1-CB 3.68Å; V85-K188 HydrophobicContact CG1-CD 4.17Å; V85-W189 VanDerWaalsContact O-CE3 3.26Å
86L66.9Low62.2Low69 Ų6984.6 Ų84.636%0.36147%0.468SS..THydrogen-bonded Turntrans-97.74.8178.5-62.7174.5000113.2L82 E83 D84 W189 A192L82-L86 WeakPolarHBondContact O-CB 3.4Å; L82-L86 WeakPolarHBondContact O-CG 3.23Å; L82-L86 PolarHBondContact O-N 3.42Å; E83-L86 CarbonylContact O-C 3.59Å; E83-L86 PolarHBondContact O-N 2.79Å; D84-L86 VanDerWaalsContact C-N 3.31Å; L86-W189 VanDerWaalsContact C-CZ3 3.41Å; L86-W189 VanDerWaalsContact O-CZ3 3.25Å; L86-W189 WeakPolarHBondContact O-CZ3 3.18Å; L86-A192 HydrophobicContact CD2-CB 3.29Å
87A67.2Low60Low44 Ų4488.5 Ų88.536%0.36448%0.484SS..SBendtrans-73.8143.3166.600000109.2E83 D84 W189E83-A87 WeakPolarHBondContact O-CB 3.37Å; E83-A87 PolarHBondContact O-N 3.17Å; D84-A87 PolarHBondContact O-N 3.33Å; A87-W189 VanDerWaalsContact C-CZ3 3.46Å; A87-W189 WeakPolarHBondContact O-CZ3 3.46Å
88P63.3Low58.3Low75 Ų7587.4 Ų87.449%0.48747%0.474SS..PPolyproline II helixtrans-47.7132.4172-25.533.5000110.2
89P63.6Low56.6Low39 Ų3991.6 Ų91.625%0.25350%0.496SS..PPolyproline II helixtrans-51.9144.5177.2-21.628.8000110.2T185 W189P89-T185 HydrophobicContact CB-CG2 4.21Å; P89-T185 HydrophobicContact CG-CG2 3.38Å; P89-W189 HydrophobicContact CG-CZ2 4.39Å
90P56.6Low55.5Low97 Ų9791.9 Ų91.963%0.6350%0.499SS*.PPolyproline II helixtrans-55.6147.3176.722.5-31.5000110.7N92P90-N92 PolarHBondContact O-N 3.05Å
91D51.1Low55.2Low95 Ų9585.8 Ų85.851%0.50847%0.471SS..  trans-51.6113-179.6-78.6-42.1000110.7D93 K152D91-D93 HydrophobicContact CB-CB 4.3Å; D91-D93 PolarHBondContact O-N 3.03Å; D91-D93 VanDerWaalsContact O-N 3.07Å; D91-K152 IonicContact OD1-NZ 2.82Å; D91-K152 PolarHBondContact OD1-NZ 2.89Å
92N49.4Very low54.8Low119 Ų11990.4 Ų90.464%0.63649%0.488SS*.  trans-73.586.9144.3-95.4-30.1000104.9P90 D94P90-N92 PolarHBondContact O-N 3.05Å; N92-D94 PolarHBondContact O-N 3.11Å
93D39.3Very low54.2Low133 Ų13391.6 Ų91.671%0.71149%0.49SS*.  trans-65.226.6-179.9-120.3-10000113.4D91 V95D91-D93 HydrophobicContact CB-CB 4.3Å; D91-D93 PolarHBondContact O-N 3.03Å; D91-D93 VanDerWaalsContact O-N 3.07Å; D93-V95 PolarHBondContact O-N 2.77Å
94D43.8Very low53.7Low87 Ų8784.4 Ų84.447%0.46546%0.456SS..  trans-87.473-175.4-92.3-23.9000107.4N92 V96 R256N92-D94 PolarHBondContact O-N 3.11Å; D94-V96 HydrophobicContact CB-CG2 3.48Å; D94-V96 VanDerWaalsContact CB-CG2 3.48Å; D94-V96 PolarHBondContact O-N 2.91Å; D94-R256 IonicContact OD2-CZ 3.54Å; D94-R256 IonicContact OD2-NH1 3.49Å; D94-R256 PolarHBondContact OD2-NH1 2.9Å; D94-R256 IonicContact OD2-NH2 2.92Å; D94-R256 PolarHBondContact OD2-NH2 2.8Å
95V43Very low53.2Low145 Ų14581.8 Ų81.888%0.87944%0.443SS*.  trans-61.774.9148.6-174.90000106.2D93 N97D93-V95 PolarHBondContact O-N 2.77Å; V95-N97 PolarHBondContact O-N 3.32Å
96V47.3Very low52.8Low30 Ų3087.6 Ų87.618%0.18247%0.473CS..  trans-75.3118-174.9162.90000107.1D94 D98 R224D94-V96 HydrophobicContact CB-CG2 3.48Å; D94-V96 VanDerWaalsContact CB-CG2 3.48Å; D94-V96 PolarHBondContact O-N 2.91Å; V96-D98 PolarHBondContact O-N 3Å; V96-R224 VanDerWaalsContact CG1-CZ 3.42Å
97N44.7Very low52.8Low104 Ų10489.6 Ų89.656%0.55648%0.48SS*.  trans-63.3103.7168-161.6-1.5000108.3V95 F99 R224V95-N97 PolarHBondContact O-N 3.32Å; N97-F99 PolarHBondContact O-N 3.04Å; N97-F99 WeakPolarHBondContact OD1-CD2 3.4Å; N97-R224 PolarHBondContact O-NH2 3.26Å
98D48.6Very low53.4Low71 Ų7187.5 Ų87.538%0.3846%0.462SS..G310 helixtrans-70.8-8.8-173.2-71.5-50.3000114.3V96 D100 I101 K267V96-D98 PolarHBondContact O-N 3Å; D98-D100 PolarHBondContact O-N 3.35Å; D98-D100 VanDerWaalsContact O-N 3.12Å; D98-I101 PolarHBondContact O-N 3.18Å; D98-K267 IonicContact OD1-NZ 2.66Å; D98-K267 PolarHBondContact OD1-NZ 3.06Å; D98-K267 IonicContact OD2-NZ 2.71Å; D98-K267 PolarHBondContact OD2-NZ 3.31Å
99F47Very low54.2Low187 Ų18786.9 Ų86.982%0.8245%0.453SS*.G310 helixtrans-62.9-14.5176.4-79.6-83.3000113.2N97N97-F99 PolarHBondContact O-N 3.04Å; N97-F99 WeakPolarHBondContact OD1-CD2 3.4Å
100D50.3Low55.2Low53 Ų5390.2 Ų90.228%0.28347%0.469SS..G310 helixtrans-91.4-10-176.4-74.8-48.4000115.4D98 E102 K223D98-D100 PolarHBondContact O-N 3.35Å; D98-D100 VanDerWaalsContact O-N 3.12Å; D100-E102 PolarHBondContact O-N 3.11Å; D100-K223 HydrophobicContact CB-CD 4.29Å; D100-K223 IonicContact OD1-NZ 2.63Å; D100-K223 PolarHBondContact OD1-NZ 3.31Å
101I55Low56.8Low27 Ų2788.3 Ų88.314%0.13845%0.449CS..Hα-helixtrans-76.2-24.3-170.3-59.1175.1000111.8D98 E103 V105 L259D98-I101 PolarHBondContact O-N 3.18Å; I101-E103 PolarHBondContact O-N 2.92Å; I101-V105 HydrophobicContact CG2-CG2 4.09Å; I101-V105 WeakPolarHBondContact O-CG2 3.32Å; I101-L259 HydrophobicContact CG2-CD2 4.12Å
102E54.2Low58.7Low135 Ų13591.8 Ų91.863%0.63146%0.462SS*.Hα-helixtrans-69.4-33.6-168.9-60-165.5161.300115D100 K306D100-E102 PolarHBondContact O-N 3.11Å; E102-K306 IonicContact OE1-NZ 2.89Å; E102-K306 PolarHBondContact OE1-NZ 3.43Å
103E50.4Low60.7Low160 Ų16088.7 Ų88.775%0.74844%0.444SS*.Hα-helixtrans-85.1-26.4-179.9-72.5179.6161.700113.3I101 V105I101-E103 PolarHBondContact O-N 2.92Å; E103-V105 VanDerWaalsContact C-N 3.28Å; E103-V105 PolarHBondContact O-N 2.85Å
104E52.9Low63.3Low9 Ų982.3 Ų82.34%0.04241%0.41CS..Hα-helixtrans-75.4-15.4-173.7-65-173.8161.800114K223E104-K223 WeakPolarHBondContact OE1-CB 3.24Å; E104-K223 WeakPolarHBondContact OE1-CD 3.46Å; E104-K223 WeakPolarHBondContact OE1-CG 3.26Å
105V56.4Low65.8Low24 Ų2482.3 Ų82.315%0.14541%0.41CS..Hα-helixtrans-73.6-35.2-162.3165.90000114.4I101 E103 L259 P262I101-V105 HydrophobicContact CG2-CG2 4.09Å; I101-V105 WeakPolarHBondContact O-CG2 3.32Å; E103-V105 VanDerWaalsContact C-N 3.28Å; E103-V105 PolarHBondContact O-N 2.85Å; V105-L259 HydrophobicContact CG2-CD2 4.45Å; V105-P262 HydrophobicContact CG1-CB 3.38Å; V105-P262 HydrophobicContact CG1-CG 3.24Å; V105-P262 HydrophobicContact CG2-CB 4.25Å
106I57.8Low68.2Low137 Ų13778 Ų7870%0.70339%0.389SS*.Hα-helixtrans-81-26.6-177.3-59.9175.5000110.9
107E66.1Low70.5Confident110 Ų11077.2 Ų77.251%0.51438%0.383SS..Hα-helixtrans-77.5-36.1-175.2-69.4-163.3166.500114R111E107-R111 WeakPolarHBondContact O-CD 3.45Å; E107-R111 WeakPolarHBondContact O-CG 3.46Å; E107-R111 PolarHBondContact O-NE 3.39Å; E107-R111 IonicContact OE2-NH2 3.56Å; E107-R111 PolarHBondContact OE2-NH2 3.45Å; E107-R111 VanDerWaalsContact OE2-NH2 3.15Å
108V80.4Confident73Confident0 Ų073.2 Ų73.20%036%0.361CS..Hα-helixtrans-86.6-36-172-64.70000113.4N110 R111 N114 T221 L259 M260V108-N110 VanDerWaalsContact C-N 3.27Å; V108-N110 PolarHBondContact O-N 2.64Å; V108-R111 PolarHBondContact O-N 3.48Å; V108-N114 PolarHBondContact O-ND2 2.81Å; V108-T221 HydrophobicContact CG1-CG2 4.36Å; V108-L259 HydrophobicContact CG2-CB 4.44Å; V108-M260 HydrophobicContact CB-SD 4.3Å; V108-M260 HydrophobicContact CG2-SD 4.27Å; V108-M260 VanDerWaalsContact O-SD 3.41Å
109Q81.1Confident75.3Confident62 Ų6272.6 Ų72.629%0.2937%0.366SS..Hα-helixtrans-61-34.2-173-177.4173.840.600113.3M260Q109-M260 WeakPolarHBondContact CG-O 3.26Å; Q109-M260 PolarHBondContact NE2-O 3.48Å; Q109-M260 WeakPolarHBondContact O-CE 3.38Å
110N84.6Confident77.6Confident109 Ų10965.4 Ų65.458%0.58333%0.333SS*.THydrogen-bonded Turntrans-103.44.8-172.2-60.9-49.2000113.9V108 E112V108-N110 VanDerWaalsContact C-N 3.27Å; V108-N110 PolarHBondContact O-N 2.64Å; N110-E112 PolarHBondContact O-N 2.93Å
111R90.1Very high79.8Confident58 Ų5864.3 Ų64.322%0.21933%0.325CS..  trans-70.7130.5178.5-53.2-170.2-180165.30.3110.2E107 V108 E113 N114 L115 H220E107-R111 WeakPolarHBondContact O-CD 3.45Å; E107-R111 WeakPolarHBondContact O-CG 3.46Å; E107-R111 PolarHBondContact O-NE 3.39Å; E107-R111 IonicContact OE2-NH2 3.56Å; E107-R111 PolarHBondContact OE2-NH2 3.45Å; E107-R111 VanDerWaalsContact OE2-NH2 3.15Å; V108-R111 PolarHBondContact O-N 3.48Å; R111-E113 HydrophobicContact CB-CG 3.97Å; R111-E113 PolarHBondContact O-N 3.48Å; R111-N114 HydrophobicContact CB-CB 4.49Å; R111-N114 PolarHBondContact O-N 2.83Å; R111-L115 PolarHBondContact O-N 2.75Å; R111-H220 PolarHBondContact NH1-O 2.83Å
112E91.4Very high81.8Confident168 Ų16864.7 Ų64.779%0.78533%0.329SS*.Hα-helixtrans-55.8-38.2-179.8-64.7-173.8169.400112.4N110 N114 L115 A116N110-E112 PolarHBondContact O-N 2.93Å; E112-N114 VanDerWaalsContact C-N 3.33Å; E112-N114 PolarHBondContact O-N 2.96Å; E112-L115 PolarHBondContact O-N 2.81Å; E112-A116 WeakPolarHBondContact O-CB 3.26Å; E112-A116 PolarHBondContact O-N 2.96Å
113E91Very high83.8Confident53 Ų5366.5 Ų66.525%0.24833%0.334CS..Hα-helixtrans-58.7-41.8175.965.2-171.3-165.600112.2K60 R111 A116 K117K60-E113 IonicContact NZ-OE2 2.67Å; R111-E113 HydrophobicContact CB-CG 3.97Å; R111-E113 PolarHBondContact O-N 3.48Å; E113-A116 PolarHBondContact O-N 3.3Å; E113-K117 WeakPolarHBondContact O-CG 3.13Å; E113-K117 PolarHBondContact O-N 3.41Å; E113-K117 VanDerWaalsContact O-N 3.08Å
114N94.3Very high85.8Confident0 Ų062.8 Ų62.80%032%0.32CS..Hα-helixtrans-74.5-39.4-179.9-65.9-24.1000111.4V108 R111 E112 A116 K117 I118 V219 M260V108-N114 PolarHBondContact O-ND2 2.81Å; R111-N114 HydrophobicContact CB-CB 4.49Å; R111-N114 PolarHBondContact O-N 2.83Å; E112-N114 VanDerWaalsContact C-N 3.33Å; E112-N114 PolarHBondContact O-N 2.96Å; N114-A116 VanDerWaalsContact C-N 3.3Å; N114-A116 PolarHBondContact O-N 3.38Å; N114-K117 WeakPolarHBondContact O-CB 3.28Å; N114-K117 PolarHBondContact O-N 3.28Å; N114-I118 WeakPolarHBondContact O-CG1 3.07Å; N114-I118 PolarHBondContact O-N 2.99Å; N114-V219 HydrophobicContact CB-CG1 4.48Å; N114-M260 HydrophobicContact CB-CE 3.6Å; N114-M260 HydrophobicContact CB-SD 4.1Å
115L95.1Very high87.8Confident87 Ų8764 Ų6446%0.45532%0.324SS..Hα-helixtrans-62.2-38.7174-64.7176.1000111.5R111 E112 I118 A119R111-L115 PolarHBondContact O-N 2.75Å; E112-L115 PolarHBondContact O-N 2.81Å; L115-I118 PolarHBondContact O-N 2.86Å; L115-A119 PolarHBondContact O-N 3.31Å
116A94.6Very high89.7Confident53 Ų5372 Ų7244%0.43836%0.357SS..Hα-helixtrans-64.8-40.1174.100000112.1E112 E113 N114 A119 R120E112-A116 WeakPolarHBondContact O-CB 3.26Å; E112-A116 PolarHBondContact O-N 2.96Å; E113-A116 PolarHBondContact O-N 3.3Å; N114-A116 VanDerWaalsContact C-N 3.3Å; N114-A116 PolarHBondContact O-N 3.38Å; A116-A119 PolarHBondContact O-N 2.98Å; A116-R120 WeakPolarHBondContact O-CB 3.03Å; A116-R120 PolarHBondContact O-N 3.44Å
117K95.4Very high91.6Very high14 Ų1467 Ų676%0.06133%0.333CS..Hα-helixtrans-61-43.2172.8-70.2178.5-173.7-1630111.8D23 D27 E113 N114 R120 R121 I217 T218D23-K117 WeakPolarHBondContact OD1-CE 3.31Å; D27-K117 IonicContact OD1-NZ 3.56Å; D27-K117 PolarHBondContact OD1-NZ 3.44Å; D27-K117 WeakPolarHBondContact OD2-CE 3.49Å; D27-K117 IonicContact OD2-NZ 2.55Å; D27-K117 PolarHBondContact OD2-NZ 3.44Å; E113-K117 WeakPolarHBondContact O-CG 3.13Å; E113-K117 PolarHBondContact O-N 3.41Å; E113-K117 VanDerWaalsContact O-N 3.08Å; N114-K117 WeakPolarHBondContact O-CB 3.28Å; N114-K117 PolarHBondContact O-N 3.28Å; K117-R120 WeakPolarHBondContact O-CB 3.26Å; K117-R120 PolarHBondContact O-N 2.55Å; K117-R121 WeakPolarHBondContact O-CG 3.36Å; K117-R121 PolarHBondContact O-N 3.48Å; K117-I217 HydrophobicContact CB-CB 4.21Å; K117-I217 HydrophobicContact CB-CD1 4.27Å; K117-I217 HydrophobicContact CB-CG2 3.98Å; K117-I217 HydrophobicContact CD-CB 4.48Å; K117-T218 VanDerWaalsContact CD-O 3.31Å; K117-T218 WeakPolarHBondContact CD-O 3.14Å; K117-T218 PolarHBondContact NZ-O 3.13Å; K117-T218 PolarHBondContact NZ-OG1 3.05Å
118I97Very high93.1Very high21 Ų2168.6 Ų68.611%0.10834%0.34CS..Hα-helixtrans-60.9-49.7174.5-66.1173.8000110.4N114 L115 R120 R121 V122 I217 P231 V234 M260N114-I118 WeakPolarHBondContact O-CG1 3.07Å; N114-I118 PolarHBondContact O-N 2.99Å; L115-I118 PolarHBondContact O-N 2.86Å; I118-R120 VanDerWaalsContact C-N 3.26Å; I118-R120 PolarHBondContact O-N 3.44Å; I118-R121 WeakPolarHBondContact O-CB 3.22Å; I118-R121 PolarHBondContact O-N 3.41Å; I118-V122 HydrophobicContact CG2-CG2 4.15Å; I118-V122 WeakPolarHBondContact O-CG2 3.12Å; I118-V122 PolarHBondContact O-N 2.77Å; I118-I217 HydrophobicContact CD1-CD1 4.38Å; I118-I217 HydrophobicContact CG1-CD1 3.79Å; I118-P231 HydrophobicContact CD1-CB 3.79Å; I118-P231 HydrophobicContact CG1-CB 3.83Å; I118-P231 HydrophobicContact CG1-CG 4.19Å; I118-V234 HydrophobicContact CG2-CG2 4.15Å; I118-M260 HydrophobicContact CD1-CE 3.83Å
119A96.8Very high94Very high57 Ų5772.9 Ų72.947%0.47136%0.36SS..Hα-helixtrans-58-39.2179.200000112.2L115 A116 V122 K123L115-A119 PolarHBondContact O-N 3.31Å; A116-A119 PolarHBondContact O-N 2.98Å; A119-V122 PolarHBondContact O-N 2.84Å; A119-K123 WeakPolarHBondContact O-CB 3.31Å; A119-K123 PolarHBondContact O-N 2.77Å
120R94.8Very high94.8Very high36 Ų3673.5 Ų73.514%0.13637%0.365CS..Hα-helixtrans-61.4-46.1173.3-169.3-170.3-64.1153-0.6111.5S18 L19 D23 A116 K117 I118 K123 D124S18-R120 PolarHBondContact O-NE 3.5Å; S18-R120 PolarHBondContact O-NH2 3.45Å; L19-R120 VanDerWaalsContact CD2-NH1 3.27Å; D23-R120 IonicContact OD1-CZ 3.48Å; D23-R120 IonicContact OD1-NH1 3.31Å; D23-R120 PolarHBondContact OD1-NH1 3.47Å; D23-R120 IonicContact OD1-NH2 3.83Å; D23-R120 IonicContact OD2-CZ 3.36Å; D23-R120 IonicContact OD2-NH1 3.34Å; D23-R120 PolarHBondContact OD2-NH1 3.47Å; D23-R120 IonicContact OD2-NH2 3.79Å; D23-R120 PolarHBondContact OD2-NH2 3.39Å; A116-R120 WeakPolarHBondContact O-CB 3.03Å; A116-R120 PolarHBondContact O-N 3.44Å; K117-R120 WeakPolarHBondContact O-CB 3.26Å; K117-R120 PolarHBondContact O-N 2.55Å; I118-R120 VanDerWaalsContact C-N 3.26Å; I118-R120 PolarHBondContact O-N 3.44Å; R120-K123 PolarHBondContact O-N 3.27Å; R120-D124 WeakPolarHBondContact CG-OD2 3.37Å; R120-D124 WeakPolarHBondContact O-CB 3.46Å; R120-D124 PolarHBondContact O-N 2.84Å
121R96Very high95.4Very high31 Ų3170.1 Ų70.112%0.11735%0.347CS..Hα-helixtrans-64.3-41.9175.8-68.9-64.6-177.1-94.2-1.8112.7K117 I118 K123 D124 Y125 G214 M216 I217 V234K117-R121 WeakPolarHBondContact O-CG 3.36Å; K117-R121 PolarHBondContact O-N 3.48Å; I118-R121 WeakPolarHBondContact O-CB 3.22Å; I118-R121 PolarHBondContact O-N 3.41Å; R121-K123 PolarHBondContact O-N 2.88Å; R121-D124 PolarHBondContact O-N 2.81Å; R121-Y125 WeakPolarHBondContact O-CB 3.19Å; R121-Y125 PolarHBondContact O-N 3.24Å; R121-G214 WeakPolarHBondContact CD-O 3.47Å; R121-G214 PolarHBondContact NE-O 2.84Å; R121-M216 PolarHBondContact NE-O 3.04Å; R121-M216 PolarHBondContact NH2-O 3.39Å; R121-I217 HydrophobicContact CG-CG2 3.68Å; R121-V234 HydrophobicContact CB-CG1 4.31Å; R121-V234 HydrophobicContact CB-CG2 3.61Å; R121-V234 HydrophobicContact CG-CG2 4.35Å
122V97.6Very high95.8Very high35 Ų3571.4 Ų71.421%0.21236%0.363CS..Hα-helixtrans-57.4-39.7174.4171.40000110.8I118 A119 K238I118-V122 HydrophobicContact CG2-CG2 4.15Å; I118-V122 WeakPolarHBondContact O-CG2 3.12Å; I118-V122 PolarHBondContact O-N 2.77Å; A119-V122 PolarHBondContact O-N 2.84Å; V122-K238 HydrophobicContact CG1-CG 4.13Å; V122-K238 WeakPolarHBondContact O-CE 3.37Å; V122-K238 PolarHBondContact O-NZ 3.27Å
123K96.1Very high96.1Very high172 Ų17264.3 Ų64.375%0.74833%0.331SS*.Hα-helixtrans-74.6-48.3178.6-174.3-172.3172.4-172.50113.2A119 R120 R121A119-K123 WeakPolarHBondContact O-CB 3.31Å; A119-K123 PolarHBondContact O-N 2.77Å; R120-K123 PolarHBondContact O-N 3.27Å; R121-K123 PolarHBondContact O-N 2.88Å
124D92.4Very high96.5Very high83 Ų8364.4 Ų64.444%0.44433%0.33SS..Hα-helixtrans-99.1-31.2-161.8-60-23000113.5R120 R121 K126R120-D124 WeakPolarHBondContact CG-OD2 3.37Å; R120-D124 WeakPolarHBondContact O-CB 3.46Å; R120-D124 PolarHBondContact O-N 2.84Å; R121-D124 PolarHBondContact O-N 2.81Å; D124-K126 PolarHBondContact O-N 2.86Å
125Y95.6Very high96.6Very high35 Ų3573.2 Ų73.214%0.13737%0.371CS..PPolyproline II helixtrans-72.9129.9-179.7-171-93.6000110.1R121 V127 L211 D212 G214 A215 K238R121-Y125 WeakPolarHBondContact O-CB 3.19Å; R121-Y125 PolarHBondContact O-N 3.24Å; Y125-V127 HydrophobicContact CD1-CG2 3.91Å; Y125-V127 HydrophobicContact CE1-CG2 4.08Å; Y125-L211 HydrophobicContact CD1-CD2 4.3Å; Y125-L211 HydrophobicContact CE1-CD2 3.54Å; Y125-D212 WeakPolarHBondContact CE2-OD1 3.5Å; Y125-D212 PolarHBondContact OH-N 3.37Å; Y125-D212 PolarHBondContact OH-OD1 3.28Å; Y125-G214 VanDerWaalsContact CD2-C 3.49Å; Y125-G214 WeakPolarHBondContact CD2-O 3.46Å; Y125-A215 HydrophobicContact CD1-CB 4.2Å; Y125-A215 HydrophobicContact CD2-CB 4.18Å; Y125-A215 HydrophobicContact CE1-CB 3.95Å; Y125-A215 HydrophobicContact CE2-CB 3.92Å; Y125-A215 VanDerWaalsContact CE2-N 3.3Å; Y125-A215 HydrophobicContact CG-CB 4.3Å; Y125-K238 WeakPolarHBondContact O-CE 3.49Å; Y125-K238 PolarHBondContact O-NZ 3.08Å
126K96Very high96.6Very high190 Ų19072.6 Ų72.683%0.82639%0.385SS*.PPolyproline II helixtrans-99.3120.9178.5-65.5-177.2-179.6-179.50109.1D124D124-K126 PolarHBondContact O-N 2.86Å
127V97.8Very high96.8Very high32 Ų3273.1 Ų73.119%0.19438%0.377CS..PPolyproline II helixtrans-90.9127.5175.5-177.60000107.8Y125 F209 L211 K238 Y239Y125-V127 HydrophobicContact CD1-CG2 3.91Å; Y125-V127 HydrophobicContact CE1-CG2 4.08Å; V127-F209 HydrophobicContact CG1-CB 3.53Å; V127-F209 HydrophobicContact CG1-CD1 3.97Å; V127-F209 HydrophobicContact CG1-CD2 3.6Å; V127-F209 HydrophobicContact CG1-CE2 4.28Å; V127-F209 HydrophobicContact CG1-CG 3.43Å; V127-F209 VanDerWaalsContact CG1-CG 3.43Å; V127-L211 HydrophobicContact CG1-CD2 4.43Å; V127-L211 HydrophobicContact CG2-CD2 3.94Å; V127-K238 HydrophobicContact CG2-CD 3.65Å; V127-Y239 HydrophobicContact CG1-CE2 4.31Å; V127-Y239 WeakPolarHBondContact CG1-OH 3.5Å; V127-Y239 HydrophobicContact CG2-CE2 4.43Å
128E97.8Very high97Very high144 Ų14474.8 Ų74.867%0.67338%0.383SS*.  trans-88.6110.1169.1-174.1171167.400108.6L130 F209E128-L130 PolarHBondContact O-N 3.29Å; E128-F209 VanDerWaalsContact O-CB 3.3Å; E128-F209 WeakPolarHBondContact O-CB 3.47Å
129E97.9Very high97.1Very high91 Ų9173.8 Ų73.843%0.42538%0.378SS..BIsolated β-bridgetrans-79.9116.7178.5-170.8173.4105.200110N131 P132E129-N131 VanDerWaalsContact CG-O 3.32Å; E129-N131 WeakPolarHBondContact CG-O 3.38Å; E129-P132 VanDerWaalsContact OE1-CA 3.25Å; E129-P132 WeakPolarHBondContact OE1-CA 3.48Å
130L98Very high97.2Very high75 Ų7571.1 Ų71.139%0.39336%0.356SS..SBendtrans-82.2-39.9175.2-59179.2000110.7E128 I207 T208 M210E128-L130 PolarHBondContact O-N 3.29Å; L130-I207 WeakPolarHBondContact CB-O 3.34Å; L130-I207 HydrophobicContact CD1-CB 4.37Å; L130-I207 HydrophobicContact CD1-CG2 4.32Å; L130-T208 PolarHBondContact N-O 3.41Å; L130-M210 HydrophobicContact CD1-CE 4.12Å; L130-M210 HydrophobicContact CD1-CG 4.21Å; L130-M210 HydrophobicContact CD1-SD 4.4Å
131N98.3Very high97.4Very high38 Ų3869.4 Ų69.420%0.20335%0.349CS..SBendtrans-145.7143.4178.1-61.7-85.5000109.5E129 K206 I207 T208E129-N131 VanDerWaalsContact CG-O 3.32Å; E129-N131 WeakPolarHBondContact CG-O 3.38Å; N131-K206 HydrophobicContact CB-CB 4.25Å; N131-K206 HydrophobicContact CB-CD 4.37Å; N131-K206 VanDerWaalsContact CG-CD 3.44Å; N131-K206 WeakPolarHBondContact OD1-CD 3.37Å; N131-K206 PolarHBondContact OD1-NZ 2.89Å; N131-I207 PolarHBondContact ND2-O 3.26Å; N131-T208 PolarHBondContact N-O 2.75Å; N131-T208 VanDerWaalsContact N-O 3.09Å; N131-T208 WeakPolarHBondContact O-CA 3.35Å; N131-T208 WeakPolarHBondContact O-CG2 3.36Å
132P98Very high97.5Very high85 Ų8567.9 Ų67.955%0.55234%0.344SS*.  trans-68.7148.3-176.228.3-35.4000112.3E129E129-P132 VanDerWaalsContact OE1-CA 3.25Å; E129-P132 WeakPolarHBondContact OE1-CA 3.48Å
133P98.4Very high97.5Very high18 Ų1866.6 Ų66.612%0.11734%0.335CS..  trans-49.7141.9163.4-28.637000112T208 Y239 F242 Y243P133-T208 HydrophobicContact CG-CG2 4.16Å; P133-Y239 HydrophobicContact CG-CD1 3.92Å; P133-Y239 HydrophobicContact CG-CE1 4.14Å; P133-F242 HydrophobicContact CB-CB 4.33Å; P133-F242 HydrophobicContact CB-CD1 3.8Å; P133-F242 HydrophobicContact CB-CD2 3.48Å; P133-F242 VanDerWaalsContact CB-CD2 3.48Å; P133-F242 HydrophobicContact CB-CE1 3.93Å; P133-F242 HydrophobicContact CB-CE2 3.62Å; P133-F242 HydrophobicContact CB-CG 3.59Å; P133-F242 HydrophobicContact CB-CZ 3.86Å; P133-F242 HydrophobicContact CG-CD2 3.76Å; P133-F242 HydrophobicContact CG-CE2 3.84Å; P133-F242 HydrophobicContact CG-CG 4.33Å; P133-F242 HydrophobicContact CG-CZ 4.48Å; P133-Y243 HydrophobicContact CB-CE2 4.44Å; P133-Y243 VanDerWaalsContact CB-OH 3.3Å; P133-Y243 WeakPolarHBondContact CB-OH 3.34Å; P133-Y243 HydrophobicContact CG-CE2 4.34Å
134R98.2Very high97.5Very high56 Ų5658.4 Ų58.421%0.21130%0.3CS..  trans-104.5133.8179.9-66.5175.8-62.2156.48.5109.8G136 K137 Y174 Y177 D178R134-G136 PolarHBondContact O-N 2.93Å; R134-K137 HydrophobicContact CB-CB 4.31Å; R134-K137 HydrophobicContact CB-CG 3.58Å; R134-K137 PolarHBondContact O-N 3.2Å; R134-Y174 VanDerWaalsContact CZ-O 3.3Å; R134-Y174 VanDerWaalsContact NH1-CZ 3.32Å; R134-Y174 PolarHBondContact NH1-O 3.17Å; R134-Y174 PolarHBondContact NH2-O 3.03Å; R134-Y177 PolarHBondContact NH2-O 3.04Å; R134-D178 IonicContact CZ-OD1 3.16Å; R134-D178 PolarHBondContact N-OD2 3.15Å; R134-D178 IonicContact NE-OD1 3.65Å; R134-D178 PolarHBondContact NE-OD1 2.97Å; R134-D178 IonicContact NH2-OD1 2.75Å; R134-D178 PolarHBondContact NH2-OD1 2.86Å
135E96.6Very high97.6Very high185 Ų18555.4 Ų55.486%0.86428%0.284SS*.THydrogen-bonded Turntrans-56.8134179.9-169176.2-178.100111.8K137E135-K137 PolarHBondContact O-N 3.23Å
136G96.1Very high97.6Very high73 Ų7355.3 Ų55.375%0.75328%0.284SS*.THydrogen-bonded Turntrans74.6-1.1177.800000115.7R134R134-G136 PolarHBondContact O-N 2.93Å
137K98.4Very high97.7Very high64 Ų6446.3 Ų46.328%0.27824%0.244SC..  trans-80.5150.2176.6-60-57.9177.5-171.90112.2R134 E135 E175R134-K137 HydrophobicContact CB-CB 4.31Å; R134-K137 HydrophobicContact CB-CG 3.58Å; R134-K137 PolarHBondContact O-N 3.2Å; E135-K137 PolarHBondContact O-N 3.23Å; K137-E175 WeakPolarHBondContact CE-O 3.05Å; K137-E175 PolarHBondContact NZ-O 3.05Å
138R98.8Very high97.7Very high50 Ų5044.8 Ų44.819%0.18924%0.235CC..EExtended strand (participates in β ladder)trans-80.7172.5172.5-53.6-61.3178.3-174.3-5.4109.1D176 Y177 D178 N247 L297 E298 F300R138-D176 PolarHBondContact N-O 2.81Å; R138-Y177 HydrophobicContact CB-CD1 3.35Å; R138-Y177 HydrophobicContact CB-CE1 3.41Å; R138-Y177 VanDerWaalsContact CB-CE1 3.41Å; R138-Y177 HydrophobicContact CB-CG 4.01Å; R138-Y177 HydrophobicContact CG-CD1 4.42Å; R138-Y177 HydrophobicContact CG-CE1 4.13Å; R138-Y177 CarbonylContact O-C 3.04Å; R138-Y177 VanDerWaalsContact O-CA 3.25Å; R138-Y177 WeakPolarHBondContact O-CA 3.45Å; R138-D178 PolarHBondContact O-N 2.89Å; R138-N247 WeakPolarHBondContact CB-O 3.47Å; R138-L297 VanDerWaalsContact CZ-O 3.28Å; R138-L297 PolarHBondContact NH2-O 2.93Å; R138-E298 PolarHBondContact NH1-O 3.41Å; R138-E298 VanDerWaalsContact NH1-O 3.15Å; R138-F300 HydrophobicContact CB-CZ 4.33Å; R138-F300 HydrophobicContact CG-CZ 4.07Å
139L98.9Very high97.7Very high0 Ų038 Ų380%020%0.203CC..EExtended strand (participates in β ladder)trans-112.1126175.9177.762.4000111V141 V180 I235 Y243 N247 T248 I249L139-V141 HydrophobicContact CD1-CG2 4.28Å; L139-V141 HydrophobicContact CD2-CG2 3.98Å; L139-V141 HydrophobicContact CG-CG2 3.91Å; L139-V180 HydrophobicContact CD1-CB 4.25Å; L139-V180 HydrophobicContact CD1-CG2 3.67Å; L139-I235 HydrophobicContact CD2-CD1 4.37Å; L139-I235 HydrophobicContact CD2-CG2 3.67Å; L139-Y243 HydrophobicContact CB-CD1 3.62Å; L139-Y243 HydrophobicContact CB-CE1 4.06Å; L139-Y243 HydrophobicContact CB-CG 3.89Å; L139-Y243 HydrophobicContact CD1-CD2 4.39Å; L139-Y243 HydrophobicContact CD1-CE1 4.45Å; L139-Y243 HydrophobicContact CD1-CE2 4.28Å; L139-Y243 HydrophobicContact CD2-CD1 4.42Å; L139-Y243 HydrophobicContact CD2-CD2 3.93Å; L139-Y243 HydrophobicContact CD2-CG 3.82Å; L139-Y243 HydrophobicContact CG-CD1 4.41Å; L139-Y243 HydrophobicContact CG-CG 4.29Å; L139-N247 PolarHBondContact N-O 3.27Å; L139-T248 HydrophobicContact CB-CG2 4.07Å; L139-T248 HydrophobicContact CD2-CG2 3.63Å; L139-T248 HydrophobicContact CG-CG2 3.88Å; L139-T248 CarbonylContact O-C 3.44Å; L139-T248 WeakPolarHBondContact O-CA 3.48Å; L139-I249 PolarHBondContact O-N 3.06Å
140L98.9Very high97.6Very high0 Ų033.7 Ų33.70%018%0.183CC..EExtended strand (participates in β ladder)trans-111.1117.1169176.764.4000109.1L142 F169 A173 Y177 D178 I179 V180 I249 F251 L291L140-L142 HydrophobicContact CD1-CD2 3.82Å; L140-L142 HydrophobicContact CD1-CG 4.42Å; L140-L142 HydrophobicContact CD2-CD1 4.08Å; L140-L142 HydrophobicContact CD2-CD2 4.01Å; L140-L142 HydrophobicContact CD2-CG 4.14Å; L140-L142 HydrophobicContact CG-CD1 4.38Å; L140-L142 HydrophobicContact CG-CD2 3.84Å; L140-L142 HydrophobicContact CG-CG 3.93Å; L140-F169 HydrophobicContact CD2-CE1 4.32Å; L140-F169 HydrophobicContact CD2-CZ 3.92Å; L140-A173 HydrophobicContact CD2-CB 3.68Å; L140-Y177 HydrophobicContact CB-CD1 3.89Å; L140-Y177 HydrophobicContact CB-CG 4.01Å; L140-D178 PolarHBondContact N-O 2.93Å; L140-I179 WeakPolarHBondContact O-CA 3.45Å; L140-V180 PolarHBondContact O-N 2.75Å; L140-I249 WeakPolarHBondContact CA-O 3.48Å; L140-I249 HydrophobicContact CD1-CG2 3.85Å; L140-F251 HydrophobicContact CD1-CD1 4.47Å; L140-F251 HydrophobicContact CD1-CD2 4.25Å; L140-F251 HydrophobicContact CD1-CE1 4.45Å; L140-F251 HydrophobicContact CD1-CE2 4.2Å; L140-F251 HydrophobicContact CD1-CG 4.39Å; L140-F251 HydrophobicContact CD1-CZ 4.32Å; L140-L291 HydrophobicContact CD1-CD1 4.06Å; L140-L291 HydrophobicContact CD1-CD2 4.22Å; L140-L291 HydrophobicContact CD2-CD1 3.71Å; L140-L291 HydrophobicContact CG-CD1 4.48Å
141V98.9Very high97.1Very high0 Ų031.2 Ų31.20%017%0.17CC..EExtended strand (participates in β ladder)trans-102.8127.8173.2-1760000109L139 V180 W182 L232 I235 T248 I249 M250 F251L139-V141 HydrophobicContact CD1-CG2 4.28Å; L139-V141 HydrophobicContact CD2-CG2 3.98Å; L139-V141 HydrophobicContact CG-CG2 3.91Å; V141-V180 CarbonylContact C-O 3.45Å; V141-V180 WeakPolarHBondContact CA-O 3.45Å; V141-V180 HydrophobicContact CG1-CG1 4.44Å; V141-V180 HydrophobicContact CG2-CB 4.34Å; V141-W182 HydrophobicContact CG1-CB 3.86Å; V141-W182 HydrophobicContact CG1-CE3 4.13Å; V141-L232 HydrophobicContact CB-CD2 4.21Å; V141-L232 HydrophobicContact CG1-CD2 4.36Å; V141-L232 HydrophobicContact CG2-CD2 3.68Å; V141-I235 HydrophobicContact CG2-CD1 3.81Å; V141-T248 HydrophobicContact CG2-CG2 4.31Å; V141-I249 PolarHBondContact N-O 2.84Å; V141-M250 HydrophobicContact CB-CB 4.08Å; V141-M250 HydrophobicContact CB-CG 4.02Å; V141-M250 HydrophobicContact CG1-CG 4.07Å; V141-M250 CarbonylContact O-C 3.21Å; V141-M250 VanDerWaalsContact O-CA 3.23Å; V141-M250 WeakPolarHBondContact O-CA 3.4Å; V141-F251 PolarHBondContact O-N 3.09Å
142L98.9Very high96.7Very high0 Ų033.7 Ų33.70%018%0.179CC..EExtended strand (participates in β ladder)trans-120.3125.6-177.2-61.7172.9000110.4L140 L148 F169 L170 I179 V180 I181 W182 F251L140-L142 HydrophobicContact CD1-CD2 3.82Å; L140-L142 HydrophobicContact CD1-CG 4.42Å; L140-L142 HydrophobicContact CD2-CD1 4.08Å; L140-L142 HydrophobicContact CD2-CD2 4.01Å; L140-L142 HydrophobicContact CD2-CG 4.14Å; L140-L142 HydrophobicContact CG-CD1 4.38Å; L140-L142 HydrophobicContact CG-CD2 3.84Å; L140-L142 HydrophobicContact CG-CG 3.93Å; L142-L148 HydrophobicContact CB-CD1 4.4Å; L142-L148 HydrophobicContact CD1-CD2 4.21Å; L142-F169 HydrophobicContact CD1-CE1 3.89Å; L142-F169 HydrophobicContact CD2-CE1 4.06Å; L142-F169 HydrophobicContact CD2-CZ 4.11Å; L142-L170 HydrophobicContact CD1-CD2 3.46Å; L142-L170 VanDerWaalsContact CD1-CD2 3.46Å; L142-I179 HydrophobicContact CD1-CG2 3.92Å; L142-V180 PolarHBondContact N-O 2.88Å; L142-I181 HydrophobicContact CB-CD1 4.11Å; L142-I181 HydrophobicContact CD1-CD1 4.39Å; L142-I181 CarbonylContact O-C 3.59Å; L142-I181 WeakPolarHBondContact O-CA 3.43Å; L142-W182 PolarHBondContact O-N 2.85Å; L142-F251 HydrophobicContact CD2-CB 3.84Å; L142-F251 HydrophobicContact CD2-CD2 3.75Å; L142-F251 HydrophobicContact CD2-CG 4.06Å
143D98.5Very high96.2Very high7 Ų730.7 Ų30.74%0.03716%0.16CC..  trans-66.1169.1157.5177.958.9000111.5D145 T147 L148 W182 K230 F251 D252D143-D145 VanDerWaalsContact OD2-O 3.04Å; D143-T147 HydrophobicContact CB-CG2 4.27Å; D143-T147 WeakPolarHBondContact CB-OG1 3.46Å; D143-T147 WeakPolarHBondContact O-CB 3.26Å; D143-T147 VanDerWaalsContact O-CG2 3.26Å; D143-T147 WeakPolarHBondContact O-CG2 3.41Å; D143-T147 PolarHBondContact OD2-OG1 2.69Å; D143-L148 WeakPolarHBondContact O-CG 3.37Å; D143-W182 WeakPolarHBondContact CA-O 3.13Å; D143-K230 IonicContact OD1-NZ 2.73Å; D143-K230 PolarHBondContact OD1-NZ 2.82Å; D143-F251 WeakPolarHBondContact CB-O 3.18Å; D143-F251 PolarHBondContact N-O 2.8Å; D143-D252 HydrophobicContact CB-CB 3.99Å; D143-D252 WeakPolarHBondContact CB-OD2 3.11Å
144V96.2Very high95.7Very high0 Ų036.2 Ų36.20%020%0.197CC..  trans-113.5-63.8-171.2176.10000111.5Y146 T147 L148 F149 I181 M194V144-Y146 PolarHBondContact O-N 2.78Å; V144-T147 PolarHBondContact O-N 2.86Å; V144-L148 PolarHBondContact O-N 2.79Å; V144-F149 HydrophobicContact CG1-CD1 4.02Å; V144-F149 HydrophobicContact CG1-CE1 3.63Å; V144-I181 HydrophobicContact CG2-CG2 3.26Å; V144-M194 HydrophobicContact CB-CE 4.4Å; V144-M194 HydrophobicContact CG1-CE 3.63Å; V144-M194 HydrophobicContact CG2-CE 3.91Å
145D93.1Very high95.2Very high21 Ų2135.6 Ų35.611%0.11220%0.204CC..BIsolated β-bridgetrans-70.5124.8-172.1-63.8-33.1000110D143 T147 F149 H151 W189D143-D145 VanDerWaalsContact OD2-O 3.04Å; D145-T147 PolarHBondContact O-N 2.98Å; D145-F149 VanDerWaalsContact OD1-CE1 3.22Å; D145-F149 WeakPolarHBondContact OD1-CE1 3.45Å; D145-H151 HydrophobicContact CB-CB 4.25Å; D145-H151 IonicContact OD1-CG 2.85Å; D145-W189 PolarHBondContact OD1-NE1 2.9Å
146Y96Very high94.8Very high33 Ų3335.6 Ų35.613%0.12920%0.204CC..THydrogen-bonded Turntrans60.7-10.7-171.3-65.3-24.2000116.7V144 F149 H151 K152 R163 P270 F271 M272V144-Y146 PolarHBondContact O-N 2.78Å; Y146-F149 VanDerWaalsContact CA-O 3.28Å; Y146-F149 WeakPolarHBondContact CA-O 3.25Å; Y146-F149 PolarHBondContact N-O 2.86Å; Y146-H151 AromaticContact CD1-CE1 3.8Å; Y146-H151 AromaticContact CD1-ND1 3.46Å; Y146-H151 WeakPolarHBondContact CD1-ND1 3.42Å; Y146-H151 AromaticContact CD2-CE1 3.75Å; Y146-H151 AromaticContact CE1-CE1 3.62Å; Y146-H151 AromaticContact CE1-ND1 3.49Å; Y146-H151 WeakPolarHBondContact CE1-ND1 3.43Å; Y146-H151 AromaticContact CE2-CE1 3.59Å; Y146-H151 AromaticContact CG-CE1 3.88Å; Y146-H151 AromaticContact CG-ND1 3.84Å; Y146-H151 AromaticContact CZ-CE1 3.53Å; Y146-H151 AromaticContact CZ-ND1 3.91Å; Y146-K152 HydrophobicContact CE1-CG 4.3Å; Y146-K152 WeakPolarHBondContact OH-CD 3.28Å; Y146-K152 WeakPolarHBondContact OH-CE 3.37Å; Y146-K152 VanDerWaalsContact OH-CG 3.31Å; Y146-K152 WeakPolarHBondContact OH-CG 3.47Å; Y146-R163 PolarHBondContact O-NH1 2.81Å; Y146-P270 HydrophobicContact CD2-CB 4.23Å; Y146-P270 HydrophobicContact CG-CB 4.25Å; Y146-F271 WeakPolarHBondContact CD1-O 3.4Å; Y146-F271 PolarHBondContact O-N 2.85Å; Y146-M272 HydrophobicContact CD1-CG 3.91Å; Y146-M272 HydrophobicContact CD2-CG 4.09Å; Y146-M272 HydrophobicContact CE1-CB 4.15Å; Y146-M272 HydrophobicContact CE1-CG 3.65Å; Y146-M272 HydrophobicContact CE2-CG 3.82Å; Y146-M272 HydrophobicContact CE2-SD 3.97Å; Y146-M272 HydrophobicContact CG-CG 4.12Å
147T97.6Very high94.5Very high0 Ų035.2 Ų35.20%019%0.187CC..THydrogen-bonded Turntrans-82.8-55.1169.7-650000111.2D143 V144 D145 R163 F251 D253 I268D143-T147 HydrophobicContact CB-CG2 4.27Å; D143-T147 WeakPolarHBondContact CB-OG1 3.46Å; D143-T147 WeakPolarHBondContact O-CB 3.26Å; D143-T147 VanDerWaalsContact O-CG2 3.26Å; D143-T147 WeakPolarHBondContact O-CG2 3.41Å; D143-T147 PolarHBondContact OD2-OG1 2.69Å; V144-T147 PolarHBondContact O-N 2.86Å; D145-T147 PolarHBondContact O-N 2.98Å; T147-R163 WeakPolarHBondContact O-CD 3.29Å; T147-R163 PolarHBondContact O-NH1 3.45Å; T147-F251 HydrophobicContact CG2-CB 4.44Å; T147-D253 PolarHBondContact OG1-N 2.83Å; T147-I268 HydrophobicContact CG2-CD1 4.49Å; T147-I268 HydrophobicContact CG2-CG2 4.13Å
148L98.2Very high94Very high0 Ų032.5 Ų32.50%018%0.178CC..THydrogen-bonded Turntrans-106.3-20-175.6-55.4179.9000113.9L142 D143 V144 R163 L166 I181 M194L142-L148 HydrophobicContact CB-CD1 4.4Å; L142-L148 HydrophobicContact CD1-CD2 4.21Å; D143-L148 WeakPolarHBondContact O-CG 3.37Å; V144-L148 PolarHBondContact O-N 2.79Å; L148-R163 WeakPolarHBondContact O-CB 3.39Å; L148-R163 PolarHBondContact O-N 2.85Å; L148-L166 HydrophobicContact CB-CD1 4.01Å; L148-L166 HydrophobicContact CD1-CD1 4.42Å; L148-L166 HydrophobicContact CD2-CD1 3.68Å; L148-L166 HydrophobicContact CG-CD1 4.22Å; L148-I181 HydrophobicContact CD1-CD1 4.12Å; L148-M194 HydrophobicContact CD1-CE 4.42Å
149F97.1Very high93.6Very high2 Ų236.6 Ų36.61%0.00920%0.199CC..BIsolated β-bridgetrans-159.3164.4179.186.6-62.9000112V144 D145 Y146 H151 L161 W189 K193 L197V144-F149 HydrophobicContact CG1-CD1 4.02Å; V144-F149 HydrophobicContact CG1-CE1 3.63Å; D145-F149 VanDerWaalsContact OD1-CE1 3.22Å; D145-F149 WeakPolarHBondContact OD1-CE1 3.45Å; Y146-F149 VanDerWaalsContact CA-O 3.28Å; Y146-F149 WeakPolarHBondContact CA-O 3.25Å; Y146-F149 PolarHBondContact N-O 2.86Å; F149-H151 HydrophobicContact CE1-CB 3.9Å; F149-H151 VanDerWaalsContact CE2-CA 3.47Å; F149-H151 HydrophobicContact CE2-CB 3.78Å; F149-H151 HydrophobicContact CZ-CB 3.36Å; F149-H151 PolarHBondContact O-N 2.75Å; F149-L161 CarbonylContact C-O 3.53Å; F149-L161 VanDerWaalsContact CA-O 3.27Å; F149-L161 WeakPolarHBondContact CA-O 3.46Å; F149-L161 VanDerWaalsContact CB-O 3.31Å; F149-L161 WeakPolarHBondContact CB-O 3.28Å; F149-L161 HydrophobicContact CD2-CB 4.07Å; F149-W189 HydrophobicContact CZ-CZ2 4.22Å; F149-K193 HydrophobicContact CE2-CD 4.11Å; F149-K193 HydrophobicContact CZ-CD 3.95Å; F149-K193 HydrophobicContact CZ-CG 4.14Å; F149-L197 HydrophobicContact CB-CD1 3.87Å; F149-L197 HydrophobicContact CB-CD2 3.97Å; F149-L197 HydrophobicContact CD1-CD1 4.01Å; F149-L197 HydrophobicContact CD2-CD2 4.45Å; F149-L197 HydrophobicContact CG-CD1 3.88Å; F149-L197 HydrophobicContact CG-CD2 4.33Å
150D95.6Very high93.4Very high1 Ų140.4 Ų40.41%0.00522%0.217CC..  trans-86.3102.1173-178.9-2.1000110.4K152 S153 L161 F271 K273 A274D150-K152 VanDerWaalsContact C-N 3.32Å; D150-K152 PolarHBondContact O-N 2.84Å; D150-K152 PolarHBondContact OD1-N 2.68Å; D150-S153 PolarHBondContact OD1-N 2.81Å; D150-S153 VanDerWaalsContact OD1-N 3.13Å; D150-S153 WeakPolarHBondContact OD2-CB 3.24Å; D150-S153 PolarHBondContact OD2-OG 2.87Å; D150-L161 HydrophobicContact CB-CD2 4.41Å; D150-L161 PolarHBondContact N-O 2.78Å; D150-F271 HydrophobicContact CB-CD1 4.07Å; D150-F271 HydrophobicContact CB-CE1 4.1Å; D150-K273 WeakPolarHBondContact OD2-CA 3.48Å; D150-K273 PolarHBondContact OD2-N 2.91Å; D150-A274 HydrophobicContact CB-CB 3.83Å; D150-A274 PolarHBondContact OD2-N 2.86Å
151H88.9Confident93.2Very high22 Ų2241.2 Ų41.210%0.10222%0.221CC..SBendtrans-78.9-10-177.772.7-78.3000114.6D145 Y146 F149 W189D145-H151 HydrophobicContact CB-CB 4.25Å; D145-H151 IonicContact OD1-CG 2.85Å; Y146-H151 AromaticContact CD1-CE1 3.8Å; Y146-H151 AromaticContact CD1-ND1 3.46Å; Y146-H151 WeakPolarHBondContact CD1-ND1 3.42Å; Y146-H151 AromaticContact CD2-CE1 3.75Å; Y146-H151 AromaticContact CE1-CE1 3.62Å; Y146-H151 AromaticContact CE1-ND1 3.49Å; Y146-H151 WeakPolarHBondContact CE1-ND1 3.43Å; Y146-H151 AromaticContact CE2-CE1 3.59Å; Y146-H151 AromaticContact CG-CE1 3.88Å; Y146-H151 AromaticContact CG-ND1 3.84Å; Y146-H151 AromaticContact CZ-CE1 3.53Å; Y146-H151 AromaticContact CZ-ND1 3.91Å; F149-H151 HydrophobicContact CE1-CB 3.9Å; F149-H151 VanDerWaalsContact CE2-CA 3.47Å; F149-H151 HydrophobicContact CE2-CB 3.78Å; F149-H151 HydrophobicContact CZ-CB 3.36Å; F149-H151 PolarHBondContact O-N 2.75Å; H151-W189 HydrophobicContact CB-CZ2 4.49Å
152K88.8Confident93.1Very high91 Ų9142.5 Ų42.540%0.39623%0.227SC..SBendtrans-104.2-29.1-174.5-63.5-156.3-166.3-179.70114D91 Y146 D150D91-K152 IonicContact OD1-NZ 2.82Å; D91-K152 PolarHBondContact OD1-NZ 2.89Å; Y146-K152 HydrophobicContact CE1-CG 4.3Å; Y146-K152 WeakPolarHBondContact OH-CD 3.28Å; Y146-K152 WeakPolarHBondContact OH-CE 3.37Å; Y146-K152 VanDerWaalsContact OH-CG 3.31Å; Y146-K152 WeakPolarHBondContact OH-CG 3.47Å; D150-K152 VanDerWaalsContact C-N 3.32Å; D150-K152 PolarHBondContact O-N 2.84Å; D150-K152 PolarHBondContact OD1-N 2.68Å
153S88.6Confident93.1Very high22 Ų2242.5 Ų42.515%0.15423%0.227CC..SBendtrans-69.1141.4177-68.70000110.7D150 L161D150-S153 PolarHBondContact OD1-N 2.81Å; D150-S153 VanDerWaalsContact OD1-N 3.13Å; D150-S153 WeakPolarHBondContact OD2-CB 3.24Å; D150-S153 PolarHBondContact OD2-OG 2.87Å; S153-L161 WeakPolarHBondContact O-CD2 3.34Å
154C87.8Confident93.1Very high134 Ų13442.7 Ų42.791%0.90523%0.229SC*.  trans-77.1141.8165.5-59.30000109.7
155A88.1Confident93.2Very high43 Ų4345.9 Ų45.936%0.35524%0.243SC..  trans-149.8161.6176.100000110.1E160 L161A155-E160 HydrophobicContact CB-CB 3.79Å; A155-E160 WeakPolarHBondContact CB-OE2 3.32Å; A155-L161 HydrophobicContact CB-CD1 3.98Å; A155-L161 HydrophobicContact CB-CD2 3.65Å; A155-L161 HydrophobicContact CB-CG 3.55Å
156E87.3Confident93.5Very high185 Ų18544.9 Ų44.986%0.86424%0.238SC*.SBendtrans-78.2-30.4173.3-64.3-174.4174.100111.3E160E156-E160 PolarHBondContact N-OE2 3.07Å
157T89.2Confident93.6Very high64 Ų6445.6 Ų45.639%0.39324%0.242SC..SBendtrans-135.5149.2-17969.10000112.7Q159 E160T157-Q159 PolarHBondContact O-N 3.33Å; T157-Q159 VanDerWaalsContact O-N 3.14Å; T157-E160 PolarHBondContact N-OE1 2.87Å; T157-E160 VanDerWaalsContact N-OE1 3.13Å; T157-E160 WeakPolarHBondContact O-CB 3.41Å; T157-E160 PolarHBondContact O-N 3.12Å; T157-E160 VanDerWaalsContact O-N 3.14Å; T157-E160 PolarHBondContact OG1-OE1 2.71Å
158G88.2Confident93.7Very high8 Ų851.2 Ų51.28%0.08227%0.268CS..Hα-helixtrans-59.7-24.3174.600000114E160 L161 M162 E196G158-E160 VanDerWaalsContact C-N 3.27Å; G158-E160 PolarHBondContact O-N 2.89Å; G158-L161 CarbonylContact O-C 3.53Å; G158-L161 PolarHBondContact O-N 3.01Å; G158-L161 VanDerWaalsContact O-N 3.14Å; G158-M162 PolarHBondContact O-N 2.87Å; G158-E196 WeakPolarHBondContact CA-OE1 3.22Å
159Q90.8Very high93.7Very high136 Ų13651.2 Ų51.264%0.63627%0.268SS*.Hα-helixtrans-65.7-28.4177.4-68-174.7-2.100113.5T157 L161 R278T157-Q159 PolarHBondContact O-N 3.33Å; T157-Q159 VanDerWaalsContact O-N 3.14Å; Q159-L161 VanDerWaalsContact C-N 3.32Å; Q159-R278 PolarHBondContact O-NE 2.67Å; Q159-R278 PolarHBondContact O-NH2 2.84Å
160E93.8Very high93.8Very high80 Ų8051.1 Ų51.137%0.37427%0.268SS..Hα-helixtrans-71.7-31.5175.1-70.2156.8-124.800111.4A155 E156 T157 G158 A274A155-E160 HydrophobicContact CB-CB 3.79Å; A155-E160 WeakPolarHBondContact CB-OE2 3.32Å; E156-E160 PolarHBondContact N-OE2 3.07Å; T157-E160 PolarHBondContact N-OE1 2.87Å; T157-E160 VanDerWaalsContact N-OE1 3.13Å; T157-E160 WeakPolarHBondContact O-CB 3.41Å; T157-E160 PolarHBondContact O-N 3.12Å; T157-E160 VanDerWaalsContact O-N 3.14Å; T157-E160 PolarHBondContact OG1-OE1 2.71Å; G158-E160 VanDerWaalsContact C-N 3.27Å; G158-E160 PolarHBondContact O-N 2.89Å; E160-A274 VanDerWaalsContact O-CB 3.31Å; E160-A274 WeakPolarHBondContact O-CB 3.43Å
161L95.8Very high94Very high17 Ų1753.2 Ų53.29%0.08928%0.281CS..Hα-helixtrans-88.8-21.2178.9-58.2179.2000113F149 D150 S153 A155 G158 Q159 R163 F271 A274F149-L161 CarbonylContact C-O 3.53Å; F149-L161 VanDerWaalsContact CA-O 3.27Å; F149-L161 WeakPolarHBondContact CA-O 3.46Å; F149-L161 VanDerWaalsContact CB-O 3.31Å; F149-L161 WeakPolarHBondContact CB-O 3.28Å; F149-L161 HydrophobicContact CD2-CB 4.07Å; D150-L161 HydrophobicContact CB-CD2 4.41Å; D150-L161 PolarHBondContact N-O 2.78Å; S153-L161 WeakPolarHBondContact O-CD2 3.34Å; A155-L161 HydrophobicContact CB-CD1 3.98Å; A155-L161 HydrophobicContact CB-CD2 3.65Å; A155-L161 HydrophobicContact CB-CG 3.55Å; G158-L161 CarbonylContact O-C 3.53Å; G158-L161 PolarHBondContact O-N 3.01Å; G158-L161 VanDerWaalsContact O-N 3.14Å; Q159-L161 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 3.47Å; L161-F271 WeakPolarHBondContact O-CE1 3.46Å; L161-A274 HydrophobicContact CD2-CB 4.49Å
162M97.6Very high94.4Very high26 Ų2653.1 Ų53.113%0.12828%0.282CS..BIsolated β-bridgetrans-58.9130179-173.2170.165.600111.1G158 L166 L197G158-M162 PolarHBondContact O-N 2.87Å; M162-L166 HydrophobicContact CG-CB 3.8Å; M162-L166 HydrophobicContact CG-CD2 3.55Å; M162-L166 HydrophobicContact CG-CG 4.3Å; M162-L166 HydrophobicContact SD-CB 3.99Å; M162-L166 HydrophobicContact SD-CD2 3.71Å; M162-L166 HydrophobicContact SD-CG 4.36Å; M162-L197 HydrophobicContact CB-CD2 3.85Å; M162-L197 HydrophobicContact CG-CD2 4.16Å
163R98.5Very high94.9Very high0 Ų048.8 Ų48.80%026%0.264CS..PPolyproline II helixtrans-62.6135.2176.2-170.3170.9-170.115615.5109.7Y146 T147 L148 L161 F165 L166 R269 F271 D281 E283 L284Y146-R163 PolarHBondContact O-NH1 2.81Å; T147-R163 WeakPolarHBondContact O-CD 3.29Å; T147-R163 PolarHBondContact O-NH1 3.45Å; L148-R163 WeakPolarHBondContact O-CB 3.39Å; L148-R163 PolarHBondContact O-N 2.85Å; L161-R163 PolarHBondContact O-N 3.47Å; R163-F165 PolarHBondContact O-N 2.89Å; R163-L166 WeakPolarHBondContact O-CB 3.22Å; R163-L166 PolarHBondContact O-N 3.06Å; R163-R269 VanDerWaalsContact CZ-O 3.29Å; R163-R269 PolarHBondContact NH1-O 3.36Å; R163-R269 PolarHBondContact NH2-O 3.17Å; R163-F271 HydrophobicContact CB-CB 4.45Å; R163-F271 HydrophobicContact CB-CD1 3.76Å; R163-F271 HydrophobicContact CB-CE1 4.15Å; R163-F271 HydrophobicContact CB-CG 4.04Å; R163-F271 HydrophobicContact CG-CB 3.98Å; R163-F271 HydrophobicContact CG-CD1 3.96Å; R163-F271 HydrophobicContact CG-CD2 4.01Å; R163-F271 HydrophobicContact CG-CE1 4.47Å; R163-F271 HydrophobicContact CG-CG 3.7Å; R163-D281 IonicContact CZ-OD2 2.94Å; R163-D281 IonicContact NE-OD1 2.75Å; R163-D281 PolarHBondContact NE-OD1 3.5Å; R163-D281 IonicContact NE-OD2 2.69Å; R163-D281 PolarHBondContact NE-OD2 3.19Å; R163-D281 IonicContact NH2-OD1 3.9Å; R163-D281 IonicContact NH2-OD2 3.21Å; R163-D281 PolarHBondContact NH2-OD2 2.91Å; R163-E283 VanDerWaalsContact NH2-CB 3.27Å; R163-L284 HydrophobicContact CB-CD1 3.98Å; R163-L284 HydrophobicContact CG-CD1 3.87Å; R163-L284 HydrophobicContact CG-CG 4.09Å
164P98.5Very high95.4Very high12 Ų1250.1 Ų50.18%0.07827%0.266CS..THydrogen-bonded Turntrans-51.7141.6178.4-28.534.4000112.8L166 F271 R278 D281P164-L166 VanDerWaalsContact C-N 3.29Å; P164-L166 PolarHBondContact O-N 2.83Å; P164-F271 HydrophobicContact CG-CE2 4.43Å; P164-R278 HydrophobicContact CG-CB 4.34Å; P164-R278 HydrophobicContact CG-CG 3.73Å; P164-R278 WeakPolarHBondContact CG-O 3.06Å; P164-D281 HydrophobicContact CG-CB 4.12Å
165F98.5Very high95.9Very high67 Ų6748.3 Ų48.329%0.29424%0.244SC..THydrogen-bonded Turntrans67.218.2179.3-47.8-83.9000115.3R163 H167 E168 F169 R282 L284R163-F165 PolarHBondContact O-N 2.89Å; F165-H167 PolarHBondContact O-N 2.91Å; F165-E168 VanDerWaalsContact C-OE2 3.29Å; F165-E168 VanDerWaalsContact CA-OE2 3.26Å; F165-E168 WeakPolarHBondContact CA-OE2 3.31Å; F165-E168 PolarHBondContact O-N 3.37Å; F165-F169 WeakPolarHBondContact O-CB 3.27Å; F165-F169 PolarHBondContact O-N 3.14Å; F165-R282 VanDerWaalsContact CE2-CD 3.4Å; F165-L284 HydrophobicContact CB-CB 4.47Å
166L98.7Very high96.4Very high0 Ų048.7 Ų48.70%024%0.24CC..Hα-helixtrans-53.9-53.4-177.7177.660000112.7L148 M162 R163 P164 F169 L170 L197 V199 L284L148-L166 HydrophobicContact CB-CD1 4.01Å; L148-L166 HydrophobicContact CD1-CD1 4.42Å; L148-L166 HydrophobicContact CD2-CD1 3.68Å; L148-L166 HydrophobicContact CG-CD1 4.22Å; M162-L166 HydrophobicContact CG-CB 3.8Å; M162-L166 HydrophobicContact CG-CD2 3.55Å; M162-L166 HydrophobicContact CG-CG 4.3Å; M162-L166 HydrophobicContact SD-CB 3.99Å; M162-L166 HydrophobicContact SD-CD2 3.71Å; M162-L166 HydrophobicContact SD-CG 4.36Å; R163-L166 WeakPolarHBondContact O-CB 3.22Å; R163-L166 PolarHBondContact O-N 3.06Å; P164-L166 VanDerWaalsContact C-N 3.29Å; P164-L166 PolarHBondContact O-N 2.83Å; L166-F169 PolarHBondContact O-N 3.14Å; L166-L170 HydrophobicContact CD1-CD1 3.82Å; L166-L170 HydrophobicContact CD1-CG 4.14Å; L166-L170 HydrophobicContact CG-CD1 4.11Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 2.74Å; L166-L197 HydrophobicContact CD2-CB 4.35Å; L166-V199 HydrophobicContact CD2-CG2 3.9Å; L166-L284 HydrophobicContact CB-CD1 4.28Å; L166-L284 HydrophobicContact CD1-CD1 4.11Å
167H98.8Very high97Very high48 Ų4839.9 Ų39.922%0.22220%0.199CC..Hα-helixtrans-71.5-36.9-175.7-63.7-53.6000112.3F165 F169 L170 T171 L197 N202 Y205F165-H167 PolarHBondContact O-N 2.91Å; H167-F169 VanDerWaalsContact C-N 3.34Å; H167-L170 PolarHBondContact O-N 3.13Å; H167-T171 VanDerWaalsContact O-CB 3.28Å; H167-T171 WeakPolarHBondContact O-CB 3.43Å; H167-T171 PolarHBondContact O-N 2.66Å; H167-T171 PolarHBondContact O-OG1 3.45Å; H167-L197 PolarHBondContact CE1-O 2.87Å; H167-L197 PolarHBondContact NE2-O 2.88Å; H167-N202 PolarHBondContact ND1-ND2 2.6Å; H167-Y205 HydrophobicContact CB-CE1 4.41Å; H167-Y205 AromaticContact ND1-CZ 3.89Å; H167-Y205 PolarHBondContact ND1-OH 3.46Å
168E98.8Very high97.5Very high117 Ų11736.9 Ų36.955%0.54718%0.181SC..Hα-helixtrans-64.3-41.5175.1-62.190.2152.100111F165 S172F165-E168 VanDerWaalsContact C-OE2 3.29Å; F165-E168 VanDerWaalsContact CA-OE2 3.26Å; F165-E168 WeakPolarHBondContact CA-OE2 3.31Å; F165-E168 PolarHBondContact O-N 3.37Å; E168-S172 VanDerWaalsContact O-CB 3.26Å; E168-S172 WeakPolarHBondContact O-CB 3.39Å; E168-S172 PolarHBondContact O-N 3.14Å
169F98.9Very high98Very high1 Ų136.5 Ų36.50%0.00418%0.177CC..Hα-helixtrans-61.9-51174.1165-102.4000111.6L140 L142 F165 L166 H167 T171 S172 A173 F251 L284 L287 A288 L291L140-F169 HydrophobicContact CD2-CE1 4.32Å; L140-F169 HydrophobicContact CD2-CZ 3.92Å; L142-F169 HydrophobicContact CD1-CE1 3.89Å; L142-F169 HydrophobicContact CD2-CE1 4.06Å; L142-F169 HydrophobicContact CD2-CZ 4.11Å; F165-F169 WeakPolarHBondContact O-CB 3.27Å; F165-F169 PolarHBondContact O-N 3.14Å; L166-F169 PolarHBondContact O-N 3.14Å; H167-F169 VanDerWaalsContact C-N 3.34Å; F169-T171 PolarHBondContact O-N 3.36Å; F169-S172 PolarHBondContact O-N 3.28Å; F169-A173 WeakPolarHBondContact O-CB 3.38Å; F169-A173 PolarHBondContact O-N 3.4Å; F169-F251 AromaticContact CE2-CE2 3.9Å; F169-F251 HydrophobicContact CE2-CE2 3.9Å; F169-F251 AromaticContact CZ-CD2 3.94Å; F169-F251 HydrophobicContact CZ-CD2 3.94Å; F169-F251 AromaticContact CZ-CE2 3.71Å; F169-F251 HydrophobicContact CZ-CE2 3.71Å; F169-L284 HydrophobicContact CB-CB 3.89Å; F169-L284 HydrophobicContact CD1-CD1 4.43Å; F169-L284 HydrophobicContact CD1-CD2 4.15Å; F169-L284 HydrophobicContact CD2-CB 4.31Å; F169-L284 HydrophobicContact CD2-CD2 4.49Å; F169-L284 VanDerWaalsContact CD2-O 3.28Å; F169-L284 WeakPolarHBondContact CD2-O 3.3Å; F169-L284 HydrophobicContact CE1-CD2 4.28Å; F169-L284 HydrophobicContact CG-CB 4.02Å; F169-L284 HydrophobicContact CG-CD2 4.27Å; F169-L287 HydrophobicContact CD2-CB 4.5Å; F169-L287 HydrophobicContact CE2-CB 4.05Å; F169-A288 HydrophobicContact CD2-CB 3.95Å; F169-L291 HydrophobicContact CE2-CD1 3.61Å; F169-L291 HydrophobicContact CZ-CD1 3.89Å
170L98.9Very high98.4Very high0 Ų030 Ų300%015%0.147CC..Hα-helixtrans-65.3-39.3-179.4-68.7175.1000112L142 L166 H167 A173 Y174 I179 V199 Y205L142-L170 HydrophobicContact CD1-CD2 3.46Å; L142-L170 VanDerWaalsContact CD1-CD2 3.46Å; L166-L170 HydrophobicContact CD1-CD1 3.82Å; L166-L170 HydrophobicContact CD1-CG 4.14Å; L166-L170 HydrophobicContact CG-CD1 4.11Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 2.74Å; H167-L170 PolarHBondContact O-N 3.13Å; L170-A173 PolarHBondContact O-N 2.99Å; L170-Y174 VanDerWaalsContact O-CB 3.24Å; L170-Y174 WeakPolarHBondContact O-CB 3.36Å; L170-Y174 PolarHBondContact O-N 3.21Å; L170-I179 HydrophobicContact CB-CD1 4.49Å; L170-I179 HydrophobicContact CD2-CD1 4.07Å; L170-I179 HydrophobicContact CD2-CG2 4.23Å; L170-V199 HydrophobicContact CD1-CG1 4.04Å; L170-V199 HydrophobicContact CD1-CG2 4.13Å; L170-Y205 HydrophobicContact CB-CD1 3.73Å; L170-Y205 HydrophobicContact CB-CD2 4.05Å; L170-Y205 HydrophobicContact CB-CE1 3.58Å; L170-Y205 HydrophobicContact CB-CE2 3.93Å; L170-Y205 HydrophobicContact CB-CG 3.96Å; L170-Y205 HydrophobicContact CD1-CE1 4.27Å; L170-Y205 HydrophobicContact CD1-CE2 3.7Å; L170-Y205 WeakPolarHBondContact CD1-OH 3.46Å; L170-Y205 HydrophobicContact CG-CE2 4.42Å
171T98.9Very high98.6Very high45 Ų4526.2 Ų26.228%0.27613%0.129SC..Hα-helixtrans-60.4-49.3173.9-57.30000110.8H167 F169 A173 Y174 S204 Y205H167-T171 VanDerWaalsContact O-CB 3.28Å; H167-T171 WeakPolarHBondContact O-CB 3.43Å; H167-T171 PolarHBondContact O-N 2.66Å; H167-T171 PolarHBondContact O-OG1 3.45Å; F169-T171 PolarHBondContact O-N 3.36Å; T171-A173 PolarHBondContact O-N 3.08Å; T171-Y174 PolarHBondContact O-N 3.35Å; T171-S204 WeakPolarHBondContact OG1-CB 3.42Å; T171-Y205 WeakPolarHBondContact OG1-CD1 3.4Å
172S98.9Very high98.7Very high19 Ų1925.4 Ų25.413%0.13312%0.124CC..Hα-helixtrans-63.9-39.4178.4178.60000112.4E168 F169 K292E168-S172 VanDerWaalsContact O-CB 3.26Å; E168-S172 WeakPolarHBondContact O-CB 3.39Å; E168-S172 PolarHBondContact O-N 3.14Å; F169-S172 PolarHBondContact O-N 3.28Å; S172-K292 WeakPolarHBondContact OG-CE 3.32Å
173A98.9Very high98.6Very high1 Ų124.2 Ų24.21%0.00812%0.119CC..Hα-helixtrans-67.8-40.1177.600000111.1L140 F169 L170 T171 E175 D176 Y177 I179 L291L140-A173 HydrophobicContact CD2-CB 3.68Å; F169-A173 WeakPolarHBondContact O-CB 3.38Å; F169-A173 PolarHBondContact O-N 3.4Å; L170-A173 PolarHBondContact O-N 2.99Å; T171-A173 PolarHBondContact O-N 3.08Å; A173-E175 PolarHBondContact O-N 3.47Å; A173-E175 VanDerWaalsContact O-N 3.12Å; A173-D176 PolarHBondContact O-N 2.88Å; A173-Y177 WeakPolarHBondContact O-CB 3.47Å; A173-Y177 WeakPolarHBondContact O-CD2 3.5Å; A173-Y177 PolarHBondContact O-N 3.3Å; A173-I179 HydrophobicContact CB-CD1 4.31Å; A173-L291 HydrophobicContact CB-CD1 3.96Å
174Y98.9Very high98.3Very high49 Ų4926.1 Ų26.119%0.19213%0.134CC..Hα-helixtrans-63.1-21.7-177.5-172.1-113.1000113.5R134 L170 T171 D176 Y177 I179 Y205 K206R134-Y174 VanDerWaalsContact CZ-O 3.3Å; R134-Y174 VanDerWaalsContact NH1-CZ 3.32Å; R134-Y174 PolarHBondContact NH1-O 3.17Å; R134-Y174 PolarHBondContact NH2-O 3.03Å; L170-Y174 VanDerWaalsContact O-CB 3.24Å; L170-Y174 WeakPolarHBondContact O-CB 3.36Å; L170-Y174 PolarHBondContact O-N 3.21Å; T171-Y174 PolarHBondContact O-N 3.35Å; Y174-D176 PolarHBondContact O-N 2.9Å; Y174-Y177 WeakPolarHBondContact CA-O 3.44Å; Y174-I179 HydrophobicContact CD2-CD1 4.29Å; Y174-I179 HydrophobicContact CD2-CG1 4.5Å; Y174-Y205 VanDerWaalsContact CB-CB 3.5Å; Y174-K206 WeakPolarHBondContact CD2-O 3.46Å; Y174-K206 HydrophobicContact CE2-CB 3.89Å; Y174-K206 WeakPolarHBondContact CE2-O 3.16Å
175E98.8Very high97.9Very high97 Ų9726.4 Ų26.445%0.45314%0.136SC..THydrogen-bonded Turntrans-55.7-37.7171.1-68.2175.5-147.800111.9K137 A173 K292K137-E175 WeakPolarHBondContact CE-O 3.05Å; K137-E175 PolarHBondContact NZ-O 3.05Å; A173-E175 PolarHBondContact O-N 3.47Å; A173-E175 VanDerWaalsContact O-N 3.12Å; E175-K292 VanDerWaalsContact CD-NZ 3.28Å; E175-K292 IonicContact OE1-NZ 2.69Å; E175-K292 PolarHBondContact OE1-NZ 3.38Å; E175-K292 WeakPolarHBondContact OE2-CE 3.37Å; E175-K292 IonicContact OE2-NZ 2.8Å; E175-K292 PolarHBondContact OE2-NZ 2.87Å
176D98.8Very high97.4Very high51 Ų5125 Ų2527%0.27314%0.135SC..THydrogen-bonded Turntrans-121-19.2-171-64.6-54.4000114.1R138 A173 Y174 A295R138-D176 PolarHBondContact N-O 2.81Å; A173-D176 PolarHBondContact O-N 2.88Å; Y174-D176 PolarHBondContact O-N 2.9Å; D176-A295 HydrophobicContact CB-CB 3.62Å
177Y98.9Very high97.1Very high0 Ų027.3 Ų27.30%015%0.146CC..EExtended strand (participates in β ladder)trans-125.8136.3-172.1-60.4-101.6000111.7R134 R138 L140 A173 Y174 I249 L291 I294 A295 F300R134-Y177 PolarHBondContact NH2-O 3.04Å; R138-Y177 HydrophobicContact CB-CD1 3.35Å; R138-Y177 HydrophobicContact CB-CE1 3.41Å; R138-Y177 VanDerWaalsContact CB-CE1 3.41Å; R138-Y177 HydrophobicContact CB-CG 4.01Å; R138-Y177 HydrophobicContact CG-CD1 4.42Å; R138-Y177 HydrophobicContact CG-CE1 4.13Å; R138-Y177 CarbonylContact O-C 3.04Å; R138-Y177 VanDerWaalsContact O-CA 3.25Å; R138-Y177 WeakPolarHBondContact O-CA 3.45Å; L140-Y177 HydrophobicContact CB-CD1 3.89Å; L140-Y177 HydrophobicContact CB-CG 4.01Å; A173-Y177 WeakPolarHBondContact O-CB 3.47Å; A173-Y177 WeakPolarHBondContact O-CD2 3.5Å; A173-Y177 PolarHBondContact O-N 3.3Å; Y174-Y177 WeakPolarHBondContact CA-O 3.44Å; Y177-I249 HydrophobicContact CE1-CG2 4.02Å; Y177-L291 HydrophobicContact CD2-CB 4.48Å; Y177-L291 HydrophobicContact CE1-CD2 4.13Å; Y177-L291 HydrophobicContact CE2-CB 3.76Å; Y177-L291 HydrophobicContact CE2-CD2 4.19Å; Y177-L291 HydrophobicContact CE2-CG 4.42Å; Y177-L291 WeakPolarHBondContact CE2-O 3.39Å; Y177-L291 PolarHBondContact OH-O 2.86Å; Y177-I294 WeakPolarHBondContact OH-CG1 3.46Å; Y177-A295 HydrophobicContact CE2-CB 3.89Å; Y177-A295 PolarHBondContact OH-N 3.3Å; Y177-F300 AromaticContact CE1-CE2 3.97Å; Y177-F300 HydrophobicContact CE1-CE2 3.97Å; Y177-F300 AromaticContact CE1-CZ 3.92Å; Y177-F300 HydrophobicContact CE1-CZ 3.92Å
178D98.9Very high96.7Very high1 Ų131.4 Ų31.41%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-72.1140154.2-72.6-28.8000109.7R134 R138 L140 Y243R134-D178 IonicContact CZ-OD1 3.16Å; R134-D178 PolarHBondContact N-OD2 3.15Å; R134-D178 IonicContact NE-OD1 3.65Å; R134-D178 PolarHBondContact NE-OD1 2.97Å; R134-D178 IonicContact NH2-OD1 2.75Å; R134-D178 PolarHBondContact NH2-OD1 2.86Å; R138-D178 PolarHBondContact O-N 2.89Å; L140-D178 PolarHBondContact N-O 2.93Å; D178-Y243 HydrophobicContact CB-CE1 4.14Å; D178-Y243 WeakPolarHBondContact CB-OH 3.19Å; D178-Y243 VanDerWaalsContact CG-OH 3.32Å; D178-Y243 PolarHBondContact OD2-OH 2.67Å
179I98.9Very high96.3Very high0 Ų026.1 Ų26.10%014%0.138CC..EExtended strand (participates in β ladder)trans-115124.1-167.3-54.5177000109.1L140 L142 L170 A173 Y174 I207 T208L140-I179 WeakPolarHBondContact O-CA 3.45Å; L142-I179 HydrophobicContact CD1-CG2 3.92Å; L170-I179 HydrophobicContact CB-CD1 4.49Å; L170-I179 HydrophobicContact CD2-CD1 4.07Å; L170-I179 HydrophobicContact CD2-CG2 4.23Å; A173-I179 HydrophobicContact CB-CD1 4.31Å; Y174-I179 HydrophobicContact CD2-CD1 4.29Å; Y174-I179 HydrophobicContact CD2-CG1 4.5Å; I179-I207 HydrophobicContact CB-CD1 4.09Å; I179-I207 HydrophobicContact CG2-CD1 3.7Å; I179-T208 PolarHBondContact O-N 3.13Å; I179-T208 PolarHBondContact O-OG1 3.39Å
180V98.9Very high96.1Very high0 Ų026 Ų260%014%0.138CC..EExtended strand (participates in β ladder)trans-118.4132.9175.5169.30000109L139 L140 V141 L142 F209 L211 I235L139-V180 HydrophobicContact CD1-CB 4.25Å; L139-V180 HydrophobicContact CD1-CG2 3.67Å; L140-V180 PolarHBondContact O-N 2.75Å; V141-V180 CarbonylContact C-O 3.45Å; V141-V180 WeakPolarHBondContact CA-O 3.45Å; V141-V180 HydrophobicContact CG1-CG1 4.44Å; V141-V180 HydrophobicContact CG2-CB 4.34Å; L142-V180 PolarHBondContact N-O 2.88Å; V180-F209 WeakPolarHBondContact CA-O 3.45Å; V180-F209 HydrophobicContact CB-CD2 4.41Å; V180-F209 HydrophobicContact CB-CE2 4.11Å; V180-F209 HydrophobicContact CG1-CD2 3.77Å; V180-F209 HydrophobicContact CG1-CE2 3.52Å; V180-F209 HydrophobicContact CG1-CZ 4.38Å; V180-F209 HydrophobicContact CG2-CD1 4.28Å; V180-F209 HydrophobicContact CG2-CD2 3.79Å; V180-F209 HydrophobicContact CG2-CE1 3.9Å; V180-F209 HydrophobicContact CG2-CE2 3.37Å; V180-F209 HydrophobicContact CG2-CG 4.21Å; V180-F209 HydrophobicContact CG2-CZ 3.42Å; V180-F209 VanDerWaalsContact CG2-CZ 3.42Å; V180-L211 HydrophobicContact CG1-CD1 4.39Å; V180-L211 HydrophobicContact CG1-CG 4.37Å; V180-I235 HydrophobicContact CG1-CD1 4.22Å
181I98.9Very high95.9Very high0 Ų030.3 Ų30.30%016%0.158CC..EExtended strand (participates in β ladder)trans-94.4130171.3-56.1-58.3000108.4L142 V144 L148 I190 M194 I207 F209 M210 L211L142-I181 HydrophobicContact CB-CD1 4.11Å; L142-I181 HydrophobicContact CD1-CD1 4.39Å; L142-I181 CarbonylContact O-C 3.59Å; L142-I181 WeakPolarHBondContact O-CA 3.43Å; V144-I181 HydrophobicContact CG2-CG2 3.26Å; L148-I181 HydrophobicContact CD1-CD1 4.12Å; I181-I190 HydrophobicContact CG2-CG2 3.9Å; I181-M194 HydrophobicContact CD1-SD 4.04Å; I181-M194 HydrophobicContact CG1-CG 4.47Å; I181-M194 HydrophobicContact CG1-SD 3.9Å; I181-M194 HydrophobicContact CG2-CG 4.4Å; I181-M194 HydrophobicContact CG2-SD 4.06Å; I181-I207 HydrophobicContact CD1-CD1 4.37Å; I181-I207 HydrophobicContact CG1-CD1 4.37Å; I181-I207 HydrophobicContact CG1-CG2 4.01Å; I181-F209 PolarHBondContact N-O 3.37Å; I181-M210 HydrophobicContact CB-CB 4.44Å; I181-M210 HydrophobicContact CB-CG 4.07Å; I181-M210 HydrophobicContact CG1-CG 4.45Å; I181-M210 CarbonylContact O-C 3.49Å; I181-M210 VanDerWaalsContact O-CA 3.3Å; I181-M210 WeakPolarHBondContact O-CA 3.34Å; I181-L211 PolarHBondContact O-N 2.71Å
182W98.6Very high95.6Very high0 Ų029.7 Ų29.70%016%0.157CC..EExtended strand (participates in β ladder)trans-134.6104.4175.7-164.2-7.9000111.5V141 L142 D143 L211 D212 A215 M216 K230 P231 L232 V234 I235V141-W182 HydrophobicContact CG1-CB 3.86Å; V141-W182 HydrophobicContact CG1-CE3 4.13Å; L142-W182 PolarHBondContact O-N 2.85Å; D143-W182 WeakPolarHBondContact CA-O 3.13Å; W182-L211 VanDerWaalsContact CA-O 3.3Å; W182-L211 WeakPolarHBondContact CA-O 3.3Å; W182-L211 HydrophobicContact CB-CB 4.12Å; W182-L211 VanDerWaalsContact CD1-CB 3.47Å; W182-L211 VanDerWaalsContact CD1-O 3.3Å; W182-L211 HydrophobicContact CD2-CB 3.9Å; W182-L211 HydrophobicContact CD2-CD1 3.69Å; W182-L211 HydrophobicContact CD2-CG 4.45Å; W182-L211 HydrophobicContact CE3-CD1 3.7Å; W182-L211 HydrophobicContact CG-CB 3.6Å; W182-L211 HydrophobicContact CG-CD1 4.18Å; W182-L211 HydrophobicContact CG-CG 4.49Å; W182-L211 HydrophobicContact CH2-CD1 4.25Å; W182-L211 HydrophobicContact CZ2-CD1 4.26Å; W182-L211 HydrophobicContact CZ3-CD1 3.99Å; W182-D212 PolarHBondContact NE1-O 2.94Å; W182-A215 HydrophobicContact CZ2-CB 3.73Å; W182-M216 HydrophobicContact CZ2-CG 4.3Å; W182-K230 HydrophobicContact CB-CD 4.41Å; W182-K230 HydrophobicContact CD2-CB 3.83Å; W182-K230 HydrophobicContact CD2-CD 4.12Å; W182-K230 HydrophobicContact CD2-CG 4.01Å; W182-K230 HydrophobicContact CE3-CB 3.91Å; W182-K230 HydrophobicContact CG-CD 3.93Å; W182-K230 HydrophobicContact CG-CG 4.25Å; W182-K230 VanDerWaalsContact CH2-C 3.45Å; W182-K230 HydrophobicContact CH2-CB 4Å; W182-K230 HydrophobicContact CZ2-CB 3.9Å; W182-K230 HydrophobicContact CZ2-CG 4.31Å; W182-K230 HydrophobicContact CZ3-CB 3.99Å; W182-K230 WeakPolarHBondContact O-CE 3.13Å; W182-K230 PolarHBondContact O-NZ 2.88Å; W182-P231 HydrophobicContact CH2-CG 4.29Å; W182-P231 WeakPolarHBondContact CH2-O 3.25Å; W182-L232 HydrophobicContact CZ3-CD2 4.33Å; W182-V234 HydrophobicContact CH2-CB 4.45Å; W182-I235 HydrophobicContact CE3-CD1 4.1Å; W182-I235 HydrophobicContact CZ3-CD1 4.06Å; W182-I235 HydrophobicContact CZ3-CG1 4.37Å
183S95.8Very high95.4Very high1 Ų130 Ų301%0.00716%0.156CC..  trans-107.5152175.8-176.60000112.1T185 L211 D212 S213S183-T185 PolarHBondContact O-N 2.83Å; S183-T185 PolarHBondContact OG-N 2.98Å; S183-T185 PolarHBondContact OG-OG1 3.04Å; S183-L211 PolarHBondContact N-O 2.96Å; S183-D212 CarbonylContact O-C 3.58Å; S183-D212 WeakPolarHBondContact O-CA 3.4Å; S183-S213 PolarHBondContact O-N 2.73Å
184A91.8Very high95.3Very high40 Ų4030 Ų3033%0.33116%0.156SC..SBendtrans-80.212.4172.900000113.4S213 M216A184-S213 WeakPolarHBondContact O-CB 3.26Å; A184-M216 HydrophobicContact CB-CE 4.03Å; A184-M216 HydrophobicContact CB-SD 3.62Å
185T89.2Confident95.1Very high18 Ų1834 Ų3411%0.1117%0.174CC..SBendtrans-101.5-163.618063.60000111.5P89 S183 W189 D212 S213P89-T185 HydrophobicContact CB-CG2 4.21Å; P89-T185 HydrophobicContact CG-CG2 3.38Å; S183-T185 PolarHBondContact O-N 2.83Å; S183-T185 PolarHBondContact OG-N 2.98Å; S183-T185 PolarHBondContact OG-OG1 3.04Å; T185-W189 HydrophobicContact CG2-CG 4.26Å; T185-D212 WeakPolarHBondContact O-CB 3.43Å; T185-S213 WeakPolarHBondContact O-CB 3.37Å; T185-S213 PolarHBondContact O-N 3.5Å; T185-S213 PolarHBondContact O-OG 3.21Å
186S88.8Confident94.9Very high38 Ų3833.5 Ų33.527%0.26617%0.172SC..  trans-84.6152.8174.871.50000111.3K188 W189 I190S186-K188 PolarHBondContact O-N 2.97Å; S186-W189 WeakPolarHBondContact O-CB 3.05Å; S186-W189 PolarHBondContact O-N 3.14Å; S186-W189 PolarHBondContact OG-N 2.79Å; S186-I190 WeakPolarHBondContact O-CG1 3.3Å; S186-I190 PolarHBondContact O-N 2.87Å
187M92.9Very high94.7Very high48 Ų4831.4 Ų31.424%0.23616%0.161CC..Hα-helixtrans-53.6-37.9174.5-17157.471.700113W189 I190 E191 M210 D212M187-W189 VanDerWaalsContact C-N 3.33Å; M187-W189 PolarHBondContact O-N 2.96Å; M187-I190 WeakPolarHBondContact O-CB 3.35Å; M187-I190 PolarHBondContact O-N 2.97Å; M187-I190 VanDerWaalsContact O-N 3.12Å; M187-I190 HydrophobicContact SD-CB 4.42Å; M187-I190 HydrophobicContact SD-CD1 4.4Å; M187-E191 HydrophobicContact CG-CG 4.25Å; M187-E191 WeakPolarHBondContact O-CG 3.37Å; M187-E191 PolarHBondContact O-N 2.85Å; M187-E191 HydrophobicContact SD-CG 4.45Å; M187-M210 HydrophobicContact CE-CB 4.23Å; M187-M210 WeakPolarHBondContact CE-O 3.31Å; M187-M210 HydrophobicContact SD-CB 4Å; M187-M210 HydrophobicContact SD-CE 4.13Å; M187-D212 HydrophobicContact CB-CB 4.27Å; M187-D212 HydrophobicContact CE-CB 4.15Å; M187-D212 PolarHBondContact N-OD2 3.41Å
188K89.9Confident94.6Very high133 Ų13332.8 Ų32.858%0.57818%0.175SC*.Hα-helixtrans-59.9-40.7177.1-68.8-177.6179.3179.80112.8V85 S186 A192V85-K188 HydrophobicContact CG1-CB 3.68Å; V85-K188 HydrophobicContact CG1-CD 4.17Å; S186-K188 PolarHBondContact O-N 2.97Å; K188-A192 WeakPolarHBondContact O-CB 3.48Å; K188-A192 PolarHBondContact O-N 3.48Å
189W89.3Confident94.6Very high6 Ų632.8 Ų32.82%0.02318%0.175CC..Hα-helixtrans-62.2-47.1174173.4-88.8000110.7V85 L86 A87 P89 D145 F149 H151 T185 S186 M187 E191 A192 K193V85-W189 VanDerWaalsContact O-CE3 3.26Å; L86-W189 VanDerWaalsContact C-CZ3 3.41Å; L86-W189 VanDerWaalsContact O-CZ3 3.25Å; L86-W189 WeakPolarHBondContact O-CZ3 3.18Å; A87-W189 VanDerWaalsContact C-CZ3 3.46Å; A87-W189 WeakPolarHBondContact O-CZ3 3.46Å; P89-W189 HydrophobicContact CG-CZ2 4.39Å; D145-W189 PolarHBondContact OD1-NE1 2.9Å; F149-W189 HydrophobicContact CZ-CZ2 4.22Å; H151-W189 HydrophobicContact CB-CZ2 4.49Å; T185-W189 HydrophobicContact CG2-CG 4.26Å; S186-W189 WeakPolarHBondContact O-CB 3.05Å; S186-W189 PolarHBondContact O-N 3.14Å; S186-W189 PolarHBondContact OG-N 2.79Å; M187-W189 VanDerWaalsContact C-N 3.33Å; M187-W189 PolarHBondContact O-N 2.96Å; W189-E191 PolarHBondContact O-N 3.25Å; W189-A192 PolarHBondContact O-N 2.81Å; W189-K193 HydrophobicContact CD2-CG 4.06Å; W189-K193 HydrophobicContact CG-CG 4.38Å; W189-K193 VanDerWaalsContact CH2-CE 3.46Å; W189-K193 HydrophobicContact CZ2-CD 4.25Å; W189-K193 HydrophobicContact CZ2-CG 4.01Å; W189-K193 WeakPolarHBondContact O-CB 3.45Å; W189-K193 WeakPolarHBondContact O-CG 3.2Å; W189-K193 PolarHBondContact O-N 2.59Å
190I94.9Very high94.3Very high0 Ų035.5 Ų35.50%019%0.191CC..Hα-helixtrans-60.1-50.5-179.2-57.6173000110.2I181 S186 M187 A192 K193 M194 M210 L211 D212I181-I190 HydrophobicContact CG2-CG2 3.9Å; S186-I190 WeakPolarHBondContact O-CG1 3.3Å; S186-I190 PolarHBondContact O-N 2.87Å; M187-I190 WeakPolarHBondContact O-CB 3.35Å; M187-I190 PolarHBondContact O-N 2.97Å; M187-I190 VanDerWaalsContact O-N 3.12Å; M187-I190 HydrophobicContact SD-CB 4.42Å; M187-I190 HydrophobicContact SD-CD1 4.4Å; I190-A192 VanDerWaalsContact C-N 3.34Å; I190-A192 PolarHBondContact O-N 2.69Å; I190-K193 PolarHBondContact O-N 3.36Å; I190-M194 HydrophobicContact CG2-CG 3.89Å; I190-M194 VanDerWaalsContact O-CB 3.31Å; I190-M194 WeakPolarHBondContact O-CB 3.48Å; I190-M194 VanDerWaalsContact O-CG 3.22Å; I190-M194 WeakPolarHBondContact O-CG 3.39Å; I190-M194 PolarHBondContact O-N 3.35Å; I190-M210 HydrophobicContact CG2-CB 4.22Å; I190-M210 HydrophobicContact CG2-CG 4.38Å; I190-M210 HydrophobicContact CG2-SD 3.68Å; I190-L211 WeakPolarHBondContact CD1-O 3.47Å; I190-D212 HydrophobicContact CD1-CB 3.73Å
191E95.3Very high94Very high89 Ų8942.5 Ų42.542%0.41622%0.224SC..Hα-helixtrans-57.3-47178.2-72.5172168.500111.7M187 W189 K195 M210M187-E191 HydrophobicContact CG-CG 4.25Å; M187-E191 WeakPolarHBondContact O-CG 3.37Å; M187-E191 PolarHBondContact O-N 2.85Å; M187-E191 HydrophobicContact SD-CG 4.45Å; W189-E191 PolarHBondContact O-N 3.25Å; E191-K195 VanDerWaalsContact O-CB 3.22Å; E191-K195 WeakPolarHBondContact O-CB 3.3Å; E191-K195 PolarHBondContact O-N 3.18Å; E191-M210 HydrophobicContact CG-CE 3.85Å
192A93Very high93.9Very high32 Ų3244 Ų4426%0.26423%0.233SC..Hα-helixtrans-61.7-46.4179.100000111.8L86 K188 W189 I190 K195 E196L86-A192 HydrophobicContact CD2-CB 3.29Å; K188-A192 WeakPolarHBondContact O-CB 3.48Å; K188-A192 PolarHBondContact O-N 3.48Å; W189-A192 PolarHBondContact O-N 2.81Å; I190-A192 VanDerWaalsContact C-N 3.34Å; I190-A192 PolarHBondContact O-N 2.69Å; A192-K195 PolarHBondContact O-N 3.45Å; A192-E196 VanDerWaalsContact O-CB 3.28Å; A192-E196 WeakPolarHBondContact O-CB 3.45Å; A192-E196 PolarHBondContact O-N 2.75Å
193K93.6Very high93.9Very high25 Ų2550.1 Ų50.111%0.10927%0.272CS..Hα-helixtrans-73-40.3-178.8-64.7-59.2168.7-1690113.2F149 W189 I190 K195 E196 L197F149-K193 HydrophobicContact CE2-CD 4.11Å; F149-K193 HydrophobicContact CZ-CD 3.95Å; F149-K193 HydrophobicContact CZ-CG 4.14Å; W189-K193 HydrophobicContact CD2-CG 4.06Å; W189-K193 HydrophobicContact CG-CG 4.38Å; W189-K193 VanDerWaalsContact CH2-CE 3.46Å; W189-K193 HydrophobicContact CZ2-CD 4.25Å; W189-K193 HydrophobicContact CZ2-CG 4.01Å; W189-K193 WeakPolarHBondContact O-CB 3.45Å; W189-K193 WeakPolarHBondContact O-CG 3.2Å; W189-K193 PolarHBondContact O-N 2.59Å; I190-K193 PolarHBondContact O-N 3.36Å; K193-K195 PolarHBondContact O-N 3.29Å; K193-E196 WeakPolarHBondContact CD-OE2 3.22Å; K193-E196 IonicContact NZ-OE2 2.91Å; K193-E196 PolarHBondContact NZ-OE2 2.85Å; K193-E196 PolarHBondContact O-N 2.78Å; K193-L197 VanDerWaalsContact O-CB 3.31Å; K193-L197 WeakPolarHBondContact O-CB 3.34Å; K193-L197 WeakPolarHBondContact O-CG 3.48Å; K193-L197 PolarHBondContact O-N 3.31Å
194M96.9Very high94Very high1 Ų153.3 Ų53.31%0.00529%0.294CS..Hα-helixtrans-65.4-31.9175.1-65.8-58.398.500111.3V144 L148 I181 I190 L197 G198 V199 T200 M210V144-M194 HydrophobicContact CB-CE 4.4Å; V144-M194 HydrophobicContact CG1-CE 3.63Å; V144-M194 HydrophobicContact CG2-CE 3.91Å; L148-M194 HydrophobicContact CD1-CE 4.42Å; I181-M194 HydrophobicContact CD1-SD 4.04Å; I181-M194 HydrophobicContact CG1-CG 4.47Å; I181-M194 HydrophobicContact CG1-SD 3.9Å; I181-M194 HydrophobicContact CG2-CG 4.4Å; I181-M194 HydrophobicContact CG2-SD 4.06Å; I190-M194 HydrophobicContact CG2-CG 3.89Å; I190-M194 VanDerWaalsContact O-CB 3.31Å; I190-M194 WeakPolarHBondContact O-CB 3.48Å; I190-M194 VanDerWaalsContact O-CG 3.22Å; I190-M194 WeakPolarHBondContact O-CG 3.39Å; I190-M194 PolarHBondContact O-N 3.35Å; M194-L197 HydrophobicContact CE-CD1 4.06Å; M194-G198 PolarHBondContact O-N 3.31Å; M194-V199 HydrophobicContact CB-CB 4.25Å; M194-V199 WeakPolarHBondContact O-CA 3.31Å; M194-V199 WeakPolarHBondContact O-CB 3.47Å; M194-V199 PolarHBondContact O-N 3.33Å; M194-V199 HydrophobicContact SD-CB 3.96Å; M194-V199 HydrophobicContact SD-CG1 3.78Å; M194-V199 HydrophobicContact SD-CG2 4.24Å; M194-T200 HydrophobicContact CB-CG2 3.51Å; M194-T200 PolarHBondContact O-N 3.01Å; M194-M210 HydrophobicContact CB-SD 4.45Å; M194-M210 HydrophobicContact CG-SD 4.03Å
195K95.1Very high94.3Very high133 Ų13351.5 Ų51.558%0.57828%0.279SS*.Hα-helixtrans-71.6-48.1171.7-173.9175.3-175.1174.50112.4E191 A192 K193 L197 G198E191-K195 VanDerWaalsContact O-CB 3.22Å; E191-K195 WeakPolarHBondContact O-CB 3.3Å; E191-K195 PolarHBondContact O-N 3.18Å; A192-K195 PolarHBondContact O-N 3.45Å; K193-K195 PolarHBondContact O-N 3.29Å; K195-L197 VanDerWaalsContact C-N 3.28Å; K195-L197 PolarHBondContact O-N 2.91Å; K195-G198 PolarHBondContact O-N 3.46Å
196E93.7Very high94.8Very high88 Ų8855.8 Ų55.841%0.41130%0.296SS..Hα-helixtrans-58.7-40179.6-173.3-175.2167.800112.1G158 A192 K193 G198G158-E196 WeakPolarHBondContact CA-OE1 3.22Å; A192-E196 VanDerWaalsContact O-CB 3.28Å; A192-E196 WeakPolarHBondContact O-CB 3.45Å; A192-E196 PolarHBondContact O-N 2.75Å; K193-E196 WeakPolarHBondContact CD-OE2 3.22Å; K193-E196 IonicContact NZ-OE2 2.91Å; K193-E196 PolarHBondContact NZ-OE2 2.85Å; K193-E196 PolarHBondContact O-N 2.78Å; E196-G198 PolarHBondContact O-N 3.38Å
197L95.9Very high95.2Very high6 Ų654.2 Ų54.23%0.03129%0.285CS..THydrogen-bonded Turntrans-80.21.2176.2-62.3173000113.2F149 M162 L166 H167 K193 M194 K195 V199F149-L197 HydrophobicContact CB-CD1 3.87Å; F149-L197 HydrophobicContact CB-CD2 3.97Å; F149-L197 HydrophobicContact CD1-CD1 4.01Å; F149-L197 HydrophobicContact CD2-CD2 4.45Å; F149-L197 HydrophobicContact CG-CD1 3.88Å; F149-L197 HydrophobicContact CG-CD2 4.33Å; M162-L197 HydrophobicContact CB-CD2 3.85Å; M162-L197 HydrophobicContact CG-CD2 4.16Å; L166-L197 HydrophobicContact CD2-CB 4.35Å; H167-L197 PolarHBondContact CE1-O 2.87Å; H167-L197 PolarHBondContact NE2-O 2.88Å; K193-L197 VanDerWaalsContact O-CB 3.31Å; K193-L197 WeakPolarHBondContact O-CB 3.34Å; K193-L197 WeakPolarHBondContact O-CG 3.48Å; K193-L197 PolarHBondContact O-N 3.31Å; M194-L197 HydrophobicContact CE-CD1 4.06Å; K195-L197 VanDerWaalsContact C-N 3.28Å; K195-L197 PolarHBondContact O-N 2.91Å; L197-V199 HydrophobicContact CB-CG2 3.95Å; L197-V199 PolarHBondContact O-N 2.91Å
198G96.7Very high95.5Very high29 Ų2952 Ų5230%0.29927%0.274SS..THydrogen-bonded Turntrans6622.3-179.200000114.6M194 K195 E196M194-G198 PolarHBondContact O-N 3.31Å; K195-G198 PolarHBondContact O-N 3.46Å; E196-G198 PolarHBondContact O-N 3.38Å
199V98Very high95.9Very high2 Ų245.7 Ų45.71%0.01225%0.246CC..  trans-79.7-39.1-177.8174.60000111.9L166 L170 M194 L197 Y205 I207L166-V199 HydrophobicContact CD2-CG2 3.9Å; L170-V199 HydrophobicContact CD1-CG1 4.04Å; L170-V199 HydrophobicContact CD1-CG2 4.13Å; M194-V199 HydrophobicContact CB-CB 4.25Å; M194-V199 WeakPolarHBondContact O-CA 3.31Å; M194-V199 WeakPolarHBondContact O-CB 3.47Å; M194-V199 PolarHBondContact O-N 3.33Å; M194-V199 HydrophobicContact SD-CB 3.96Å; M194-V199 HydrophobicContact SD-CG1 3.78Å; M194-V199 HydrophobicContact SD-CG2 4.24Å; L197-V199 HydrophobicContact CB-CG2 3.95Å; L197-V199 PolarHBondContact O-N 2.91Å; V199-Y205 HydrophobicContact CG1-CE2 4.2Å; V199-Y205 WeakPolarHBondContact O-CE2 3.38Å; V199-I207 HydrophobicContact CG1-CD1 3.91Å; V199-I207 HydrophobicContact CG1-CG1 3.99Å
200T93.9Very high96.4Very high56 Ų5646.1 Ų46.134%0.34425%0.249SC..THydrogen-bonded Turntrans-72.1-28-176.549.90000114.4M194M194-T200 HydrophobicContact CB-CG2 3.51Å; M194-T200 PolarHBondContact O-N 3.01Å
201E91Very high96.6Very high147 Ų14746.2 Ų46.269%0.68725%0.249SC*.THydrogen-bonded Turntrans-112.514.1-170.8-64.9178.2-172.400112.9
202N97.4Very high96.6Very high33 Ų3343.2 Ų43.218%0.17624%0.236CC..  trans-73.5131.3-177.4-160.8-69.8000111.7H167 S204 Y205H167-N202 PolarHBondContact ND1-ND2 2.6Å; N202-S204 VanDerWaalsContact C-N 3.32Å; N202-S204 PolarHBondContact O-N 2.77Å; N202-S204 VanDerWaalsContact OD1-CB 3.29Å; N202-S204 WeakPolarHBondContact OD1-CB 3.44Å; N202-S204 PolarHBondContact OD1-N 3.29Å; N202-Y205 HydrophobicContact CB-CD1 4.26Å; N202-Y205 HydrophobicContact CB-CD2 4.39Å; N202-Y205 HydrophobicContact CB-CE1 3.68Å; N202-Y205 HydrophobicContact CB-CE2 3.8Å; N202-Y205 VanDerWaalsContact CB-CZ 3.42Å
203P97.8Very high96.6Very high128 Ų12841.9 Ų41.983%0.83123%0.225SC*.THydrogen-bonded Turntrans-75.6-16.8179.629.8-35.7000114.1
204S98.5Very high96.5Very high67 Ų6741.6 Ų41.647%0.46923%0.229SC..THydrogen-bonded Turntrans-87.2-15.7-172.7-60.70000114.2T171 N202T171-S204 WeakPolarHBondContact OG1-CB 3.42Å; N202-S204 VanDerWaalsContact C-N 3.32Å; N202-S204 PolarHBondContact O-N 2.77Å; N202-S204 VanDerWaalsContact OD1-CB 3.29Å; N202-S204 WeakPolarHBondContact OD1-CB 3.44Å; N202-S204 PolarHBondContact OD1-N 3.29Å
205Y98.8Very high96.5Very high3 Ų341.5 Ų41.51%0.01223%0.229CC..  trans-154.4167.9178.756.2-96.1000111.1H167 L170 T171 Y174 V199 N202 I207H167-Y205 HydrophobicContact CB-CE1 4.41Å; H167-Y205 AromaticContact ND1-CZ 3.89Å; H167-Y205 PolarHBondContact ND1-OH 3.46Å; L170-Y205 HydrophobicContact CB-CD1 3.73Å; L170-Y205 HydrophobicContact CB-CD2 4.05Å; L170-Y205 HydrophobicContact CB-CE1 3.58Å; L170-Y205 HydrophobicContact CB-CE2 3.93Å; L170-Y205 HydrophobicContact CB-CG 3.96Å; L170-Y205 HydrophobicContact CD1-CE1 4.27Å; L170-Y205 HydrophobicContact CD1-CE2 3.7Å; L170-Y205 WeakPolarHBondContact CD1-OH 3.46Å; L170-Y205 HydrophobicContact CG-CE2 4.42Å; T171-Y205 WeakPolarHBondContact OG1-CD1 3.4Å; Y174-Y205 VanDerWaalsContact CB-CB 3.5Å; V199-Y205 HydrophobicContact CG1-CE2 4.2Å; V199-Y205 WeakPolarHBondContact O-CE2 3.38Å; N202-Y205 HydrophobicContact CB-CD1 4.26Å; N202-Y205 HydrophobicContact CB-CD2 4.39Å; N202-Y205 HydrophobicContact CB-CE1 3.68Å; N202-Y205 HydrophobicContact CB-CE2 3.8Å; N202-Y205 VanDerWaalsContact CB-CZ 3.42Å; Y205-I207 HydrophobicContact CD2-CD1 4.42Å; Y205-I207 HydrophobicContact CE2-CD1 4.44Å
206K98.6Very high96.6Very high107 Ų10735.3 Ų35.347%0.46520%0.201SC..  trans-131.7143.4177.4-59.2-138.9175.3-163.40111.6N131 Y174N131-K206 HydrophobicContact CB-CB 4.25Å; N131-K206 HydrophobicContact CB-CD 4.37Å; N131-K206 VanDerWaalsContact CG-CD 3.44Å; N131-K206 WeakPolarHBondContact OD1-CD 3.37Å; N131-K206 PolarHBondContact OD1-NZ 2.89Å; Y174-K206 WeakPolarHBondContact CD2-O 3.46Å; Y174-K206 HydrophobicContact CE2-CB 3.89Å; Y174-K206 WeakPolarHBondContact CE2-O 3.16Å
207I98.7Very high96.7Very high6 Ų631.1 Ų31.13%0.03118%0.182CC..EExtended strand (participates in β ladder)trans-90.2129.8171.2-53.9-54.8000108.1L130 N131 I179 I181 V199 Y205 M210L130-I207 WeakPolarHBondContact CB-O 3.34Å; L130-I207 HydrophobicContact CD1-CB 4.37Å; L130-I207 HydrophobicContact CD1-CG2 4.32Å; N131-I207 PolarHBondContact ND2-O 3.26Å; I179-I207 HydrophobicContact CB-CD1 4.09Å; I179-I207 HydrophobicContact CG2-CD1 3.7Å; I181-I207 HydrophobicContact CD1-CD1 4.37Å; I181-I207 HydrophobicContact CG1-CD1 4.37Å; I181-I207 HydrophobicContact CG1-CG2 4.01Å; V199-I207 HydrophobicContact CG1-CD1 3.91Å; V199-I207 HydrophobicContact CG1-CG1 3.99Å; Y205-I207 HydrophobicContact CD2-CD1 4.42Å; Y205-I207 HydrophobicContact CE2-CD1 4.44Å; I207-M210 HydrophobicContact CG2-CG 4.12Å
208T98.7Very high96.5Very high2 Ų230.9 Ų30.91%0.01218%0.181CC..EExtended strand (participates in β ladder)trans-71.9-54.1-178.3-50.60000110.2L130 N131 P133 I179L130-T208 PolarHBondContact N-O 3.41Å; N131-T208 PolarHBondContact N-O 2.75Å; N131-T208 VanDerWaalsContact N-O 3.09Å; N131-T208 WeakPolarHBondContact O-CA 3.35Å; N131-T208 WeakPolarHBondContact O-CG2 3.36Å; P133-T208 HydrophobicContact CG-CG2 4.16Å; I179-T208 PolarHBondContact O-N 3.13Å; I179-T208 PolarHBondContact O-OG1 3.39Å
209F98.8Very high96.3Very high0 Ų029.5 Ų29.50%017%0.167CC..EExtended strand (participates in β ladder)trans-160.5170.1173.350.2-99.3000110.4V127 E128 V180 I181 L211 I235 Y239V127-F209 HydrophobicContact CG1-CB 3.53Å; V127-F209 HydrophobicContact CG1-CD1 3.97Å; V127-F209 HydrophobicContact CG1-CD2 3.6Å; V127-F209 HydrophobicContact CG1-CE2 4.28Å; V127-F209 HydrophobicContact CG1-CG 3.43Å; V127-F209 VanDerWaalsContact CG1-CG 3.43Å; E128-F209 VanDerWaalsContact O-CB 3.3Å; E128-F209 WeakPolarHBondContact O-CB 3.47Å; V180-F209 WeakPolarHBondContact CA-O 3.45Å; V180-F209 HydrophobicContact CB-CD2 4.41Å; V180-F209 HydrophobicContact CB-CE2 4.11Å; V180-F209 HydrophobicContact CG1-CD2 3.77Å; V180-F209 HydrophobicContact CG1-CE2 3.52Å; V180-F209 HydrophobicContact CG1-CZ 4.38Å; V180-F209 HydrophobicContact CG2-CD1 4.28Å; V180-F209 HydrophobicContact CG2-CD2 3.79Å; V180-F209 HydrophobicContact CG2-CE1 3.9Å; V180-F209 HydrophobicContact CG2-CE2 3.37Å; V180-F209 HydrophobicContact CG2-CG 4.21Å; V180-F209 HydrophobicContact CG2-CZ 3.42Å; V180-F209 VanDerWaalsContact CG2-CZ 3.42Å; I181-F209 PolarHBondContact N-O 3.37Å; F209-L211 HydrophobicContact CD2-CD2 4.14Å; F209-L211 HydrophobicContact CD2-CG 4.13Å; F209-L211 HydrophobicContact CE2-CD1 4.26Å; F209-L211 HydrophobicContact CE2-CD2 4.31Å; F209-L211 HydrophobicContact CE2-CG 4.18Å; F209-I235 HydrophobicContact CE2-CD1 4.49Å; F209-I235 HydrophobicContact CE2-CG1 4.32Å; F209-I235 HydrophobicContact CZ-CG2 4.02Å; F209-Y239 HydrophobicContact CD1-CE1 4.49Å; F209-Y239 HydrophobicContact CD1-CE2 4.11Å; F209-Y239 AromaticContact CD1-CZ 3.88Å; F209-Y239 HydrophobicContact CE1-CD1 4.4Å; F209-Y239 AromaticContact CE1-CD2 3.87Å; F209-Y239 HydrophobicContact CE1-CD2 3.87Å; F209-Y239 HydrophobicContact CE1-CE1 4.03Å; F209-Y239 AromaticContact CE1-CE2 3.45Å; F209-Y239 HydrophobicContact CE1-CE2 3.45Å; F209-Y239 VanDerWaalsContact CE1-CE2 3.45Å; F209-Y239 HydrophobicContact CE1-CG 4.33Å; F209-Y239 AromaticContact CE1-CZ 3.54Å; F209-Y239 HydrophobicContact CE2-CE2 4.38Å; F209-Y239 AromaticContact CZ-CD2 3.82Å; F209-Y239 HydrophobicContact CZ-CD2 3.82Å; F209-Y239 AromaticContact CZ-CE2 3.61Å; F209-Y239 HydrophobicContact CZ-CE2 3.61Å
210M98.7Very high95.8Very high15 Ų1533 Ų337%0.07418%0.183CC..EExtended strand (participates in β ladder)trans-120145.6177.6-54.9-176.3-6500109.7L130 I181 M187 I190 E191 M194 I207L130-M210 HydrophobicContact CD1-CE 4.12Å; L130-M210 HydrophobicContact CD1-CG 4.21Å; L130-M210 HydrophobicContact CD1-SD 4.4Å; I181-M210 HydrophobicContact CB-CB 4.44Å; I181-M210 HydrophobicContact CB-CG 4.07Å; I181-M210 HydrophobicContact CG1-CG 4.45Å; I181-M210 CarbonylContact O-C 3.49Å; I181-M210 VanDerWaalsContact O-CA 3.3Å; I181-M210 WeakPolarHBondContact O-CA 3.34Å; M187-M210 HydrophobicContact CE-CB 4.23Å; M187-M210 WeakPolarHBondContact CE-O 3.31Å; M187-M210 HydrophobicContact SD-CB 4Å; M187-M210 HydrophobicContact SD-CE 4.13Å; I190-M210 HydrophobicContact CG2-CB 4.22Å; I190-M210 HydrophobicContact CG2-CG 4.38Å; I190-M210 HydrophobicContact CG2-SD 3.68Å; E191-M210 HydrophobicContact CG-CE 3.85Å; M194-M210 HydrophobicContact CB-SD 4.45Å; M194-M210 HydrophobicContact CG-SD 4.03Å; I207-M210 HydrophobicContact CG2-CG 4.12Å
211L98.6Very high95.3Very high1 Ų130.4 Ų30.41%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-124.6138176.6-60.9-179.8000109.2Y125 V127 V180 I181 W182 S183 I190 F209 A215 I235Y125-L211 HydrophobicContact CD1-CD2 4.3Å; Y125-L211 HydrophobicContact CE1-CD2 3.54Å; V127-L211 HydrophobicContact CG1-CD2 4.43Å; V127-L211 HydrophobicContact CG2-CD2 3.94Å; V180-L211 HydrophobicContact CG1-CD1 4.39Å; V180-L211 HydrophobicContact CG1-CG 4.37Å; I181-L211 PolarHBondContact O-N 2.71Å; W182-L211 VanDerWaalsContact CA-O 3.3Å; W182-L211 WeakPolarHBondContact CA-O 3.3Å; W182-L211 HydrophobicContact CB-CB 4.12Å; W182-L211 VanDerWaalsContact CD1-CB 3.47Å; W182-L211 VanDerWaalsContact CD1-O 3.3Å; W182-L211 HydrophobicContact CD2-CB 3.9Å; W182-L211 HydrophobicContact CD2-CD1 3.69Å; W182-L211 HydrophobicContact CD2-CG 4.45Å; W182-L211 HydrophobicContact CE3-CD1 3.7Å; W182-L211 HydrophobicContact CG-CB 3.6Å; W182-L211 HydrophobicContact CG-CD1 4.18Å; W182-L211 HydrophobicContact CG-CG 4.49Å; W182-L211 HydrophobicContact CH2-CD1 4.25Å; W182-L211 HydrophobicContact CZ2-CD1 4.26Å; W182-L211 HydrophobicContact CZ3-CD1 3.99Å; S183-L211 PolarHBondContact N-O 2.96Å; I190-L211 WeakPolarHBondContact CD1-O 3.47Å; F209-L211 HydrophobicContact CD2-CD2 4.14Å; F209-L211 HydrophobicContact CD2-CG 4.13Å; F209-L211 HydrophobicContact CE2-CD1 4.26Å; F209-L211 HydrophobicContact CE2-CD2 4.31Å; F209-L211 HydrophobicContact CE2-CG 4.18Å; L211-A215 HydrophobicContact CB-CB 4.08Å; L211-A215 HydrophobicContact CD1-CB 4.4Å; L211-A215 HydrophobicContact CD2-CB 4.23Å; L211-A215 HydrophobicContact CG-CB 4.48Å; L211-I235 HydrophobicContact CD1-CD1 3.85Å; L211-I235 HydrophobicContact CD1-CG1 3.72Å
212D95.8Very high94.8Very high27 Ų2727.4 Ų27.414%0.14416%0.16CC..  trans-109.5-172.8177.774.3-12.6000111.4Y125 W182 S183 T185 M187 I190 G214 A215Y125-D212 WeakPolarHBondContact CE2-OD1 3.5Å; Y125-D212 PolarHBondContact OH-N 3.37Å; Y125-D212 PolarHBondContact OH-OD1 3.28Å; W182-D212 PolarHBondContact NE1-O 2.94Å; S183-D212 CarbonylContact O-C 3.58Å; S183-D212 WeakPolarHBondContact O-CA 3.4Å; T185-D212 WeakPolarHBondContact O-CB 3.43Å; M187-D212 HydrophobicContact CB-CB 4.27Å; M187-D212 HydrophobicContact CE-CB 4.15Å; M187-D212 PolarHBondContact N-OD2 3.41Å; I190-D212 HydrophobicContact CD1-CB 3.73Å; D212-G214 PolarHBondContact O-N 2.94Å; D212-G214 VanDerWaalsContact O-N 3.09Å; D212-G214 WeakPolarHBondContact OD1-CA 3.31Å; D212-G214 PolarHBondContact OD1-N 3.34Å; D212-A215 PolarHBondContact O-N 3.45Å
213S93.1Very high93.7Very high3 Ų331.1 Ų31.12%0.02117%0.174CC..G310 helixtrans-56.6-22.5175.1490000113.8K33 S183 A184 T185 A215 M216K33-S213 PolarHBondContact NZ-OG 2.79Å; S183-S213 PolarHBondContact O-N 2.73Å; A184-S213 WeakPolarHBondContact O-CB 3.26Å; T185-S213 WeakPolarHBondContact O-CB 3.37Å; T185-S213 PolarHBondContact O-N 3.5Å; T185-S213 PolarHBondContact O-OG 3.21Å; S213-A215 PolarHBondContact O-N 3.32Å; S213-M216 WeakPolarHBondContact O-CB 3.49Å; S213-M216 PolarHBondContact O-N 2.91Å; S213-M216 VanDerWaalsContact O-N 3.08Å
214G92.7Very high92.6Very high19 Ų1927.9 Ų27.920%0.19615%0.146CC..G310 helixtrans-65.1-24.2176.300000113.7R121 Y125 D212 M216R121-G214 WeakPolarHBondContact CD-O 3.47Å; R121-G214 PolarHBondContact NE-O 2.84Å; Y125-G214 VanDerWaalsContact CD2-C 3.49Å; Y125-G214 WeakPolarHBondContact CD2-O 3.46Å; D212-G214 PolarHBondContact O-N 2.94Å; D212-G214 VanDerWaalsContact O-N 3.09Å; D212-G214 WeakPolarHBondContact OD1-CA 3.31Å; D212-G214 PolarHBondContact OD1-N 3.34Å; G214-M216 VanDerWaalsContact C-N 3.34Å
215A96.6Very high92Very high0 Ų025.5 Ų25.50%013%0.131CC..G310 helixtrans-82.5-13.8175.700000112.9Y125 W182 L211 D212 S213Y125-A215 HydrophobicContact CD1-CB 4.2Å; Y125-A215 HydrophobicContact CD2-CB 4.18Å; Y125-A215 HydrophobicContact CE1-CB 3.95Å; Y125-A215 HydrophobicContact CE2-CB 3.92Å; Y125-A215 VanDerWaalsContact CE2-N 3.3Å; Y125-A215 HydrophobicContact CG-CB 4.3Å; W182-A215 HydrophobicContact CZ2-CB 3.73Å; L211-A215 HydrophobicContact CB-CB 4.08Å; L211-A215 HydrophobicContact CD1-CB 4.4Å; L211-A215 HydrophobicContact CD2-CB 4.23Å; L211-A215 HydrophobicContact CG-CB 4.48Å; D212-A215 PolarHBondContact O-N 3.45Å; S213-A215 PolarHBondContact O-N 3.32Å
216M96.6Very high91.4Very high2 Ų226.4 Ų26.41%0.0114%0.137CC..  trans-75.7163-179.2-64.6177.273.400111.9R121 W182 A184 S213 G214 E228 V229 K230R121-M216 PolarHBondContact NE-O 3.04Å; R121-M216 PolarHBondContact NH2-O 3.39Å; W182-M216 HydrophobicContact CZ2-CG 4.3Å; A184-M216 HydrophobicContact CB-CE 4.03Å; A184-M216 HydrophobicContact CB-SD 3.62Å; S213-M216 WeakPolarHBondContact O-CB 3.49Å; S213-M216 PolarHBondContact O-N 2.91Å; S213-M216 VanDerWaalsContact O-N 3.08Å; G214-M216 VanDerWaalsContact C-N 3.34Å; M216-E228 HydrophobicContact CB-CG 3.8Å; M216-E228 HydrophobicContact CE-CB 3.99Å; M216-E228 HydrophobicContact CE-CG 3.64Å; M216-E228 HydrophobicContact SD-CG 4.31Å; M216-V229 WeakPolarHBondContact CA-O 3.45Å; M216-V229 WeakPolarHBondContact CB-O 3.41Å; M216-V229 WeakPolarHBondContact CG-O 3.45Å; M216-K230 HydrophobicContact CE-CG 3.82Å; M216-K230 HydrophobicContact CG-CG 3.93Å; M216-K230 HydrophobicContact SD-CG 4.05Å
217I95.2Very high91Very high0 Ų022.1 Ų22.10%012%0.12CC..EExtended strand (participates in β ladder)trans-127.3157.4172.669.6176.8000109.6K117 I118 R121 V219 E228 V229 P231 M260K117-I217 HydrophobicContact CB-CB 4.21Å; K117-I217 HydrophobicContact CB-CD1 4.27Å; K117-I217 HydrophobicContact CB-CG2 3.98Å; K117-I217 HydrophobicContact CD-CB 4.48Å; I118-I217 HydrophobicContact CD1-CD1 4.38Å; I118-I217 HydrophobicContact CG1-CD1 3.79Å; R121-I217 HydrophobicContact CG-CG2 3.68Å; I217-V219 HydrophobicContact CD1-CG1 4Å; I217-V219 HydrophobicContact CG1-CG1 4.11Å; I217-E228 WeakPolarHBondContact O-CA 3.35Å; I217-V229 HydrophobicContact CD1-CG2 4.25Å; I217-V229 HydrophobicContact CG1-CG2 3.58Å; I217-V229 PolarHBondContact N-O 2.63Å; I217-V229 PolarHBondContact O-N 3.04Å; I217-P231 HydrophobicContact CB-CG 4.49Å; I217-P231 HydrophobicContact CD1-CB 4.15Å; I217-P231 HydrophobicContact CD1-CG 4.01Å; I217-P231 HydrophobicContact CG1-CB 4.43Å; I217-P231 HydrophobicContact CG1-CG 3.88Å; I217-P231 HydrophobicContact CG2-CG 4.05Å; I217-M260 HydrophobicContact CD1-CG 4.46Å
218T93.3Very high90.6Very high2 Ų224.1 Ų24.11%0.01213%0.129CC..EExtended strand (participates in β ladder)trans-94.2144.3167.9800000110.4M26 D27 Q30 K117 V226 V227M26-T218 HydrophobicContact CG-CG2 3.84Å; D27-T218 VanDerWaalsContact CG-OG1 3.31Å; D27-T218 PolarHBondContact OD1-OG1 3.02Å; Q30-T218 HydrophobicContact CG-CG2 4.17Å; K117-T218 VanDerWaalsContact CD-O 3.31Å; K117-T218 WeakPolarHBondContact CD-O 3.14Å; K117-T218 PolarHBondContact NZ-O 3.13Å; K117-T218 PolarHBondContact NZ-OG1 3.05Å; T218-V226 HydrophobicContact CG2-CG1 4.22Å; T218-V227 CarbonylContact C-O 3.5Å; T218-V227 VanDerWaalsContact CA-O 3.26Å; T218-V227 WeakPolarHBondContact CA-O 3.26Å
219V91.6Very high90.5Very high0 Ų024 Ų240%013%0.129CC..EExtended strand (participates in β ladder)trans-133144.6175.5-57.50000109.2N114 I217 T221 V226 V227 V229 M260N114-V219 HydrophobicContact CB-CG1 4.48Å; I217-V219 HydrophobicContact CD1-CG1 4Å; I217-V219 HydrophobicContact CG1-CG1 4.11Å; V219-T221 HydrophobicContact CG2-CG2 4.46Å; V219-V226 WeakPolarHBondContact O-CA 3.43Å; V219-V227 HydrophobicContact CG2-CG2 3.6Å; V219-V227 PolarHBondContact N-O 3.03Å; V219-V227 PolarHBondContact O-N 3.25Å; V219-V229 HydrophobicContact CG1-CG2 3.86Å; V219-V229 HydrophobicContact CG2-CG1 3.73Å; V219-V229 HydrophobicContact CG2-CG2 4.34Å; V219-M260 HydrophobicContact CG1-CG 4.2Å; V219-M260 HydrophobicContact CG1-SD 4.02Å
220H88.5Confident90.4Very high76 Ų7624 Ų2435%0.35213%0.129SC..EExtended strand (participates in β ladder)trans-91119.9175.9-178.8-77.7000110.6R111R111-H220 PolarHBondContact NH1-O 2.83Å
221T83.3Confident90.3Very high0 Ų023.3 Ų23.30%013%0.125CC..EExtended strand (participates in β ladder)trans-105.4143.6171.373.60000110.9V108 V219 K223 R224 G225 V227 L259V108-T221 HydrophobicContact CG1-CG2 4.36Å; V219-T221 HydrophobicContact CG2-CG2 4.46Å; T221-K223 VanDerWaalsContact C-N 3.32Å; T221-K223 PolarHBondContact O-N 3.25Å; T221-R224 WeakPolarHBondContact OG1-CB 3.39Å; T221-R224 PolarHBondContact OG1-N 2.97Å; T221-R224 VanDerWaalsContact OG1-N 3.17Å; T221-G225 PolarHBondContact N-O 2.92Å; T221-G225 PolarHBondContact O-N 2.81Å; T221-V227 HydrophobicContact CG2-CG2 3.81Å; T221-L259 HydrophobicContact CG2-CD1 4.49Å
222P79.3Confident90.3Very high84 Ų8423.3 Ų23.355%0.54513%0.125SC..THydrogen-bonded Turntrans-59.2-36.7-179.4-26.335.5000114.5
223K75.8Confident90.4Very high111 Ų11122.8 Ų22.848%0.48313%0.126SC..THydrogen-bonded Turntrans-89.5-29.8-175.9-62.3-179.6175.4172.50114D100 E104 T221D100-K223 HydrophobicContact CB-CD 4.29Å; D100-K223 IonicContact OD1-NZ 2.63Å; D100-K223 PolarHBondContact OD1-NZ 3.31Å; E104-K223 WeakPolarHBondContact OE1-CB 3.24Å; E104-K223 WeakPolarHBondContact OE1-CD 3.46Å; E104-K223 WeakPolarHBondContact OE1-CG 3.26Å; T221-K223 VanDerWaalsContact C-N 3.32Å; T221-K223 PolarHBondContact O-N 3.25Å
224R73.9Confident90.7Very high61 Ų6122.7 Ų22.723%0.2313%0.125CC..THydrogen-bonded Turntrans-116.82.2-169.3-50.7179.7179.3175.9-2.4113.9V96 N97 T221 V227V96-R224 VanDerWaalsContact CG1-CZ 3.42Å; N97-R224 PolarHBondContact O-NH2 3.26Å; T221-R224 WeakPolarHBondContact OG1-CB 3.39Å; T221-R224 PolarHBondContact OG1-N 2.97Å; T221-R224 VanDerWaalsContact OG1-N 3.17Å; R224-V227 HydrophobicContact CB-CG1 3.89Å
225G85.3Confident91Very high16 Ų1621.9 Ų21.917%0.16512%0.117CC..EExtended strand (participates in β ladder)trans68.4-140.5-177.700000111.4T221T221-G225 PolarHBondContact N-O 2.92Å; T221-G225 PolarHBondContact O-N 2.81Å
226V87.4Confident91.1Very high23 Ų2324.3 Ų24.314%0.13913%0.126CC..EExtended strand (participates in β ladder)trans-82.8119.7-179.2176.80000110.3T24 M26 E58 T218 V219T24-V226 HydrophobicContact CG2-CG2 4.16Å; M26-V226 HydrophobicContact CB-CG1 3.98Å; M26-V226 HydrophobicContact CG-CG1 4.02Å; E58-V226 HydrophobicContact CB-CG2 4.23Å; E58-V226 HydrophobicContact CG-CG2 4.05Å; T218-V226 HydrophobicContact CG2-CG1 4.22Å; V219-V226 WeakPolarHBondContact O-CA 3.43Å
227V89.1Confident91.2Very high17 Ų1726.5 Ų26.510%0.10315%0.149CC..EExtended strand (participates in β ladder)trans-121151.5176.4-58.40000110.8T218 V219 T221 R224 V229 L259T218-V227 CarbonylContact C-O 3.5Å; T218-V227 VanDerWaalsContact CA-O 3.26Å; T218-V227 WeakPolarHBondContact CA-O 3.26Å; V219-V227 HydrophobicContact CG2-CG2 3.6Å; V219-V227 PolarHBondContact N-O 3.03Å; V219-V227 PolarHBondContact O-N 3.25Å; T221-V227 HydrophobicContact CG2-CG2 3.81Å; R224-V227 HydrophobicContact CB-CG1 3.89Å; V227-V229 HydrophobicContact CG2-CG1 4.27Å; V227-L259 HydrophobicContact CG2-CD1 4.11Å
228E91.4Very high91.3Very high47 Ų4729.6 Ų29.622%0.2216%0.162CC..EExtended strand (participates in β ladder)trans-95140.6175.7-153.5174.2-15200110.9Q30 M216 I217Q30-E228 PolarHBondContact NE2-OE1 2.83Å; M216-E228 HydrophobicContact CB-CG 3.8Å; M216-E228 HydrophobicContact CE-CB 3.99Å; M216-E228 HydrophobicContact CE-CG 3.64Å; M216-E228 HydrophobicContact SD-CG 4.31Å; I217-E228 WeakPolarHBondContact O-CA 3.35Å
229V94.9Very high91.5Very high0 Ų030.8 Ų30.80%017%0.167CC..EExtended strand (participates in β ladder)trans-137.9159.6-175.4-55.20000111M216 I217 V219 V227 P231 R256 L259 M260M216-V229 WeakPolarHBondContact CA-O 3.45Å; M216-V229 WeakPolarHBondContact CB-O 3.41Å; M216-V229 WeakPolarHBondContact CG-O 3.45Å; I217-V229 HydrophobicContact CD1-CG2 4.25Å; I217-V229 HydrophobicContact CG1-CG2 3.58Å; I217-V229 PolarHBondContact N-O 2.63Å; I217-V229 PolarHBondContact O-N 3.04Å; V219-V229 HydrophobicContact CG1-CG2 3.86Å; V219-V229 HydrophobicContact CG2-CG1 3.73Å; V219-V229 HydrophobicContact CG2-CG2 4.34Å; V227-V229 HydrophobicContact CG2-CG1 4.27Å; V229-P231 WeakPolarHBondContact O-CD 3.35Å; V229-R256 WeakPolarHBondContact CG1-O 3.31Å; V229-L259 HydrophobicContact CG1-CB 4.06Å; V229-L259 HydrophobicContact CG1-CD1 4.09Å; V229-M260 HydrophobicContact CG2-CG 3.74Å
230K97.8Very high91.8Very high0 Ų033 Ų330%019%0.189CC..  trans-103.483.1177.7-63.6177.5-173.1171.10109.8D143 W182 M216 L232 M250 D252 N257 N261D143-K230 IonicContact OD1-NZ 2.73Å; D143-K230 PolarHBondContact OD1-NZ 2.82Å; W182-K230 HydrophobicContact CB-CD 4.41Å; W182-K230 HydrophobicContact CD2-CB 3.83Å; W182-K230 HydrophobicContact CD2-CD 4.12Å; W182-K230 HydrophobicContact CD2-CG 4.01Å; W182-K230 HydrophobicContact CE3-CB 3.91Å; W182-K230 HydrophobicContact CG-CD 3.93Å; W182-K230 HydrophobicContact CG-CG 4.25Å; W182-K230 VanDerWaalsContact CH2-C 3.45Å; W182-K230 HydrophobicContact CH2-CB 4Å; W182-K230 HydrophobicContact CZ2-CB 3.9Å; W182-K230 HydrophobicContact CZ2-CG 4.31Å; W182-K230 HydrophobicContact CZ3-CB 3.99Å; W182-K230 WeakPolarHBondContact O-CE 3.13Å; W182-K230 PolarHBondContact O-NZ 2.88Å; M216-K230 HydrophobicContact CE-CG 3.82Å; M216-K230 HydrophobicContact CG-CG 3.93Å; M216-K230 HydrophobicContact SD-CG 4.05Å; K230-L232 PolarHBondContact O-N 3.22Å; K230-L232 VanDerWaalsContact O-N 3.17Å; K230-M250 HydrophobicContact CB-CE 3.8Å; K230-M250 HydrophobicContact CD-CE 3.38Å; K230-M250 HydrophobicContact CG-CE 4.2Å; K230-D252 IonicContact NZ-OD2 3.72Å; K230-D252 PolarHBondContact NZ-OD2 3.17Å; K230-N257 WeakPolarHBondContact CA-O 3.25Å; K230-N257 HydrophobicContact CD-CB 4.09Å; K230-N257 HydrophobicContact CG-CB 4.25Å; K230-N257 PolarHBondContact N-O 3.32Å; K230-N261 PolarHBondContact O-OD1 3.44Å
231P97.4Very high92.2Very high1 Ų137 Ų371%0.00621%0.209CC..  trans-73.9108-174.330.6-37.1000111.5I118 W182 I217 V229 G233 V234 M260I118-P231 HydrophobicContact CD1-CB 3.79Å; I118-P231 HydrophobicContact CG1-CB 3.83Å; I118-P231 HydrophobicContact CG1-CG 4.19Å; W182-P231 HydrophobicContact CH2-CG 4.29Å; W182-P231 WeakPolarHBondContact CH2-O 3.25Å; I217-P231 HydrophobicContact CB-CG 4.49Å; I217-P231 HydrophobicContact CD1-CB 4.15Å; I217-P231 HydrophobicContact CD1-CG 4.01Å; I217-P231 HydrophobicContact CG1-CB 4.43Å; I217-P231 HydrophobicContact CG1-CG 3.88Å; I217-P231 HydrophobicContact CG2-CG 4.05Å; V229-P231 WeakPolarHBondContact O-CD 3.35Å; P231-G233 PolarHBondContact O-N 3.31Å; P231-V234 HydrophobicContact CB-CG2 4.49Å; P231-V234 HydrophobicContact CG-CG2 3.72Å; P231-V234 WeakPolarHBondContact O-CB 3.32Å; P231-V234 PolarHBondContact O-N 3.34Å; P231-M260 HydrophobicContact CB-CB 4.33Å
232L98.5Very high92.9Very high0 Ų039.9 Ų39.90%022%0.221CC..THydrogen-bonded Turntrans-56.1-21.3175.6-67.8177.1000113.3V141 W182 K230 V234 I235 W236 T248 M250 N261 N264V141-L232 HydrophobicContact CB-CD2 4.21Å; V141-L232 HydrophobicContact CG1-CD2 4.36Å; V141-L232 HydrophobicContact CG2-CD2 3.68Å; W182-L232 HydrophobicContact CZ3-CD2 4.33Å; K230-L232 PolarHBondContact O-N 3.22Å; K230-L232 VanDerWaalsContact O-N 3.17Å; L232-V234 PolarHBondContact O-N 3.34Å; L232-V234 VanDerWaalsContact O-N 3.14Å; L232-I235 HydrophobicContact CD2-CD1 4.1Å; L232-I235 WeakPolarHBondContact O-CB 3.32Å; L232-I235 PolarHBondContact O-N 3.4Å; L232-W236 HydrophobicContact CB-CD2 4.19Å; L232-W236 HydrophobicContact CB-CE3 4.46Å; L232-W236 HydrophobicContact CB-CH2 3.8Å; L232-W236 HydrophobicContact CB-CZ2 3.47Å; L232-W236 VanDerWaalsContact CB-CZ2 3.47Å; L232-W236 HydrophobicContact CB-CZ3 4.28Å; L232-W236 HydrophobicContact CD1-CH2 4.29Å; L232-W236 HydrophobicContact CD1-CZ2 3.76Å; L232-W236 HydrophobicContact CG-CZ2 4.28Å; L232-W236 PolarHBondContact O-N 3.03Å; L232-T248 HydrophobicContact CD1-CG2 3.79Å; L232-T248 HydrophobicContact CD2-CG2 4.19Å; L232-M250 HydrophobicContact CD1-CB 4.3Å; L232-M250 HydrophobicContact CD2-CB 4.46Å; L232-M250 HydrophobicContact CD2-SD 4.3Å; L232-N261 HydrophobicContact CB-CB 4.23Å; L232-N261 HydrophobicContact CD1-CB 4.01Å; L232-N261 VanDerWaalsContact CD1-ND2 3.35Å; L232-N261 WeakPolarHBondContact CD1-ND2 3.43Å; L232-N261 HydrophobicContact CG-CB 4.29Å; L232-N261 WeakPolarHBondContact CG-ND2 3.46Å; L232-N261 PolarHBondContact N-OD1 3.45Å; L232-N264 HydrophobicContact CD1-CB 3.5Å
233G98.1Very high93.9Very high16 Ų1635.9 Ų35.917%0.16520%0.195CC..Hα-helixtrans-55.6-24170.100000114.4P231 G237P231-G233 PolarHBondContact O-N 3.31Å; G233-G237 PolarHBondContact O-N 3.15Å
234V98.5Very high94.9Very high1 Ų133.6 Ų33.61%0.00619%0.188CC..Hα-helixtrans-67.4-43172.2173.40000111.1I118 R121 W182 P231 L232 K238I118-V234 HydrophobicContact CG2-CG2 4.15Å; R121-V234 HydrophobicContact CB-CG1 4.31Å; R121-V234 HydrophobicContact CB-CG2 3.61Å; R121-V234 HydrophobicContact CG-CG2 4.35Å; W182-V234 HydrophobicContact CH2-CB 4.45Å; P231-V234 HydrophobicContact CB-CG2 4.49Å; P231-V234 HydrophobicContact CG-CG2 3.72Å; P231-V234 WeakPolarHBondContact O-CB 3.32Å; P231-V234 PolarHBondContact O-N 3.34Å; L232-V234 PolarHBondContact O-N 3.34Å; L232-V234 VanDerWaalsContact O-N 3.14Å; V234-K238 WeakPolarHBondContact O-CG 3.17Å; V234-K238 PolarHBondContact O-N 3.25Å
235I98.8Very high96.1Very high2 Ų238.2 Ų38.21%0.0121%0.206CC..Hα-helixtrans-68.2-49.7176-61.3171.3000109.6L139 V141 V180 W182 F209 L211 L232 G237 K238 Y239 Y243L139-I235 HydrophobicContact CD2-CD1 4.37Å; L139-I235 HydrophobicContact CD2-CG2 3.67Å; V141-I235 HydrophobicContact CG2-CD1 3.81Å; V180-I235 HydrophobicContact CG1-CD1 4.22Å; W182-I235 HydrophobicContact CE3-CD1 4.1Å; W182-I235 HydrophobicContact CZ3-CD1 4.06Å; W182-I235 HydrophobicContact CZ3-CG1 4.37Å; F209-I235 HydrophobicContact CE2-CD1 4.49Å; F209-I235 HydrophobicContact CE2-CG1 4.32Å; F209-I235 HydrophobicContact CZ-CG2 4.02Å; L211-I235 HydrophobicContact CD1-CD1 3.85Å; L211-I235 HydrophobicContact CD1-CG1 3.72Å; L232-I235 HydrophobicContact CD2-CD1 4.1Å; L232-I235 WeakPolarHBondContact O-CB 3.32Å; L232-I235 PolarHBondContact O-N 3.4Å; I235-G237 VanDerWaalsContact C-N 3.28Å; I235-G237 PolarHBondContact O-N 2.83Å; I235-K238 PolarHBondContact O-N 2.87Å; I235-Y239 HydrophobicContact CG2-CD2 4.28Å; I235-Y239 PolarHBondContact O-N 3.39Å; I235-Y243 HydrophobicContact CG2-CD2 4.07Å
236W98.6Very high96.7Very high52 Ų5241.9 Ų41.920%0.19722%0.217CC..Hα-helixtrans-63.2-32.8-178.3-55.1-28.6000113.1L232 K238 G240 R245 T248 N261L232-W236 HydrophobicContact CB-CD2 4.19Å; L232-W236 HydrophobicContact CB-CE3 4.46Å; L232-W236 HydrophobicContact CB-CH2 3.8Å; L232-W236 HydrophobicContact CB-CZ2 3.47Å; L232-W236 VanDerWaalsContact CB-CZ2 3.47Å; L232-W236 HydrophobicContact CB-CZ3 4.28Å; L232-W236 HydrophobicContact CD1-CH2 4.29Å; L232-W236 HydrophobicContact CD1-CZ2 3.76Å; L232-W236 HydrophobicContact CG-CZ2 4.28Å; L232-W236 PolarHBondContact O-N 3.03Å; W236-K238 VanDerWaalsContact C-N 3.3Å; W236-G240 WeakPolarHBondContact O-CA 3.38Å; W236-G240 PolarHBondContact O-N 3.11Å; W236-R245 HydrophobicContact CH2-CB 3.67Å; W236-R245 HydrophobicContact CZ2-CB 3.95Å; W236-R245 HydrophobicContact CZ3-CB 4.11Å; W236-T248 HydrophobicContact CZ2-CG2 4.47Å; W236-T248 PolarHBondContact NE1-OG1 3.29Å; W236-N261 HydrophobicContact CH2-CB 4.1Å
237G98.1Very high97.2Very high48 Ų4841.5 Ų41.550%0.49521%0.214SC..Hα-helixtrans-70.2-26.3175.100000113.5G233 I235G233-G237 PolarHBondContact O-N 3.15Å; I235-G237 VanDerWaalsContact C-N 3.28Å; I235-G237 PolarHBondContact O-N 2.83Å
238K97.9Very high97.7Very high64 Ų6440.7 Ų40.728%0.27821%0.209SC..Hα-helixtrans-93.7-34.4179.5-71.8-179.2170.8-62.50113.5V122 Y125 V127 V234 I235 W236V122-K238 HydrophobicContact CG1-CG 4.13Å; V122-K238 WeakPolarHBondContact O-CE 3.37Å; V122-K238 PolarHBondContact O-NZ 3.27Å; Y125-K238 WeakPolarHBondContact O-CE 3.49Å; Y125-K238 PolarHBondContact O-NZ 3.08Å; V127-K238 HydrophobicContact CG2-CD 3.65Å; V234-K238 WeakPolarHBondContact O-CG 3.17Å; V234-K238 PolarHBondContact O-N 3.25Å; I235-K238 PolarHBondContact O-N 2.87Å; W236-K238 VanDerWaalsContact C-N 3.3Å
239Y98.3Very high98Very high27 Ų2738.4 Ų38.411%0.10620%0.199CC..SBendtrans-125.733.4-171.8-63.3-85.6000111.7V127 P133 F209 I235 E241 F242 Y243V127-Y239 HydrophobicContact CG1-CE2 4.31Å; V127-Y239 WeakPolarHBondContact CG1-OH 3.5Å; V127-Y239 HydrophobicContact CG2-CE2 4.43Å; P133-Y239 HydrophobicContact CG-CD1 3.92Å; P133-Y239 HydrophobicContact CG-CE1 4.14Å; F209-Y239 HydrophobicContact CD1-CE1 4.49Å; F209-Y239 HydrophobicContact CD1-CE2 4.11Å; F209-Y239 AromaticContact CD1-CZ 3.88Å; F209-Y239 HydrophobicContact CE1-CD1 4.4Å; F209-Y239 AromaticContact CE1-CD2 3.87Å; F209-Y239 HydrophobicContact CE1-CD2 3.87Å; F209-Y239 HydrophobicContact CE1-CE1 4.03Å; F209-Y239 AromaticContact CE1-CE2 3.45Å; F209-Y239 HydrophobicContact CE1-CE2 3.45Å; F209-Y239 VanDerWaalsContact CE1-CE2 3.45Å; F209-Y239 HydrophobicContact CE1-CG 4.33Å; F209-Y239 AromaticContact CE1-CZ 3.54Å; F209-Y239 HydrophobicContact CE2-CE2 4.38Å; F209-Y239 AromaticContact CZ-CD2 3.82Å; F209-Y239 HydrophobicContact CZ-CD2 3.82Å; F209-Y239 AromaticContact CZ-CE2 3.61Å; F209-Y239 HydrophobicContact CZ-CE2 3.61Å; I235-Y239 HydrophobicContact CG2-CD2 4.28Å; I235-Y239 PolarHBondContact O-N 3.39Å; Y239-E241 PolarHBondContact O-N 2.95Å; Y239-E241 VanDerWaalsContact O-N 3.13Å; Y239-F242 PolarHBondContact O-N 3.06Å; Y239-Y243 HydrophobicContact CG-CD2 4.43Å; Y239-Y243 HydrophobicContact CG-CE2 4.39Å; Y239-Y243 PolarHBondContact O-N 3.09Å
240G97.6Very high98.2Very high46 Ų4638.4 Ų38.447%0.47420%0.199SC..THydrogen-bonded Turntrans-64.4-17.1-172.500000115.1W236 F242W236-G240 WeakPolarHBondContact O-CA 3.38Å; W236-G240 PolarHBondContact O-N 3.11Å; G240-F242 VanDerWaalsContact C-N 3.3Å
241E97.1Very high98.3Very high162 Ų16238.4 Ų38.476%0.75720%0.199SC*.THydrogen-bonded Turntrans-68.8-29.1171.872-169.2136.600112.4Y239Y239-E241 PolarHBondContact O-N 2.95Å; Y239-E241 VanDerWaalsContact O-N 3.13Å
242F98.2Very high98.3Very high59 Ų5938.4 Ų38.426%0.25920%0.198SC..THydrogen-bonded Turntrans-103.2-41.9-179.4-59.5-74.2000112.2P133 Y239 G240 N247P133-F242 HydrophobicContact CB-CB 4.33Å; P133-F242 HydrophobicContact CB-CD1 3.8Å; P133-F242 HydrophobicContact CB-CD2 3.48Å; P133-F242 VanDerWaalsContact CB-CD2 3.48Å; P133-F242 HydrophobicContact CB-CE1 3.93Å; P133-F242 HydrophobicContact CB-CE2 3.62Å; P133-F242 HydrophobicContact CB-CG 3.59Å; P133-F242 HydrophobicContact CB-CZ 3.86Å; P133-F242 HydrophobicContact CG-CD2 3.76Å; P133-F242 HydrophobicContact CG-CE2 3.84Å; P133-F242 HydrophobicContact CG-CG 4.33Å; P133-F242 HydrophobicContact CG-CZ 4.48Å; Y239-F242 PolarHBondContact O-N 3.06Å; G240-F242 VanDerWaalsContact C-N 3.3Å; F242-N247 PolarHBondContact O-ND2 2.68Å
243Y98.6Very high98.1Very high0 Ų039.3 Ų39.30%020%0.203CC..  trans-128.1138.8-164.6-42.5-53.4000113P133 L139 D178 I235 Y239 N247P133-Y243 HydrophobicContact CB-CE2 4.44Å; P133-Y243 VanDerWaalsContact CB-OH 3.3Å; P133-Y243 WeakPolarHBondContact CB-OH 3.34Å; P133-Y243 HydrophobicContact CG-CE2 4.34Å; L139-Y243 HydrophobicContact CB-CD1 3.62Å; L139-Y243 HydrophobicContact CB-CE1 4.06Å; L139-Y243 HydrophobicContact CB-CG 3.89Å; L139-Y243 HydrophobicContact CD1-CD2 4.39Å; L139-Y243 HydrophobicContact CD1-CE1 4.45Å; L139-Y243 HydrophobicContact CD1-CE2 4.28Å; L139-Y243 HydrophobicContact CD2-CD1 4.42Å; L139-Y243 HydrophobicContact CD2-CD2 3.93Å; L139-Y243 HydrophobicContact CD2-CG 3.82Å; L139-Y243 HydrophobicContact CG-CD1 4.41Å; L139-Y243 HydrophobicContact CG-CG 4.29Å; D178-Y243 HydrophobicContact CB-CE1 4.14Å; D178-Y243 WeakPolarHBondContact CB-OH 3.19Å; D178-Y243 VanDerWaalsContact CG-OH 3.32Å; D178-Y243 PolarHBondContact OD2-OH 2.67Å; I235-Y243 HydrophobicContact CG2-CD2 4.07Å; Y239-Y243 HydrophobicContact CG-CD2 4.43Å; Y239-Y243 HydrophobicContact CG-CE2 4.39Å; Y239-Y243 PolarHBondContact O-N 3.09Å; Y243-N247 WeakPolarHBondContact CA-OD1 3.46Å
244N98.4Very high97.8Very high64 Ų6440.8 Ų40.834%0.34221%0.207SC..  trans-153.3-177.8172.863.467.1000110.3K246 N247 T248N244-K246 PolarHBondContact O-N 3.09Å; N244-K246 WeakPolarHBondContact OD1-CA 3.3Å; N244-K246 WeakPolarHBondContact OD1-CB 3.49Å; N244-K246 WeakPolarHBondContact OD1-CG 3.4Å; N244-K246 PolarHBondContact OD1-N 3Å; N244-N247 PolarHBondContact N-OD1 2.85Å; N244-N247 PolarHBondContact O-N 2.94Å; N244-N247 PolarHBondContact O-OD1 3.13Å; N244-T248 WeakPolarHBondContact O-CB 3.42Å; N244-T248 PolarHBondContact O-N 2.93Å; N244-T248 PolarHBondContact O-OG1 3.27Å
245R97.4Very high97.4Very high158 Ų15841 Ų4160%0.59621%0.209SC*.THydrogen-bonded Turntrans-57.1-20.7-179.770-179.6-177.1-122.52115.3W236 N264W236-R245 HydrophobicContact CH2-CB 3.67Å; W236-R245 HydrophobicContact CZ2-CB 3.95Å; W236-R245 HydrophobicContact CZ3-CB 4.11Å; R245-N264 PolarHBondContact O-ND2 3.05Å
246K98.4Very high97Very high93 Ų9341.7 Ų41.740%0.40421%0.211SC..THydrogen-bonded Turntrans-84-19.8-177-57.4-177.7165-161.70113.3N244 D299 F300N244-K246 PolarHBondContact O-N 3.09Å; N244-K246 WeakPolarHBondContact OD1-CA 3.3Å; N244-K246 WeakPolarHBondContact OD1-CB 3.49Å; N244-K246 WeakPolarHBondContact OD1-CG 3.4Å; N244-K246 PolarHBondContact OD1-N 3Å; K246-D299 HydrophobicContact CB-CB 4.35Å; K246-D299 WeakPolarHBondContact CB-OD1 3.37Å; K246-D299 WeakPolarHBondContact CD-OD2 3.47Å; K246-D299 WeakPolarHBondContact CE-OD2 3.27Å; K246-D299 WeakPolarHBondContact CG-OD1 3.45Å; K246-D299 WeakPolarHBondContact CG-OD2 3.37Å; K246-D299 IonicContact NZ-OD2 3.67Å; K246-D299 PolarHBondContact NZ-OD2 2.69Å; K246-D299 CarbonylContact O-C 3.48Å; K246-D299 WeakPolarHBondContact O-CA 3.45Å; K246-F300 WeakPolarHBondContact O-CB 2.95Å; K246-F300 WeakPolarHBondContact O-CG 3.48Å; K246-F300 PolarHBondContact O-N 2.82Å
247N98.6Very high96.7Very high14 Ų1439.7 Ų39.78%0.07520%0.204CC..THydrogen-bonded Turntrans-128.612.9-175.272-15.3000113.6R138 L139 F242 Y243 N244R138-N247 WeakPolarHBondContact CB-O 3.47Å; L139-N247 PolarHBondContact N-O 3.27Å; F242-N247 PolarHBondContact O-ND2 2.68Å; Y243-N247 WeakPolarHBondContact CA-OD1 3.46Å; N244-N247 PolarHBondContact N-OD1 2.85Å; N244-N247 PolarHBondContact O-N 2.94Å; N244-N247 PolarHBondContact O-OD1 3.13Å
248T98.9Very high96.5Very high0 Ų038.3 Ų38.30%019%0.185CC..EExtended strand (participates in β ladder)trans-111.6136.8-178.9-56.10000110.7L139 V141 L232 W236 N244 N264L139-T248 HydrophobicContact CB-CG2 4.07Å; L139-T248 HydrophobicContact CD2-CG2 3.63Å; L139-T248 HydrophobicContact CG-CG2 3.88Å; L139-T248 CarbonylContact O-C 3.44Å; L139-T248 WeakPolarHBondContact O-CA 3.48Å; V141-T248 HydrophobicContact CG2-CG2 4.31Å; L232-T248 HydrophobicContact CD1-CG2 3.79Å; L232-T248 HydrophobicContact CD2-CG2 4.19Å; W236-T248 HydrophobicContact CZ2-CG2 4.47Å; W236-T248 PolarHBondContact NE1-OG1 3.29Å; N244-T248 WeakPolarHBondContact O-CB 3.42Å; N244-T248 PolarHBondContact O-N 2.93Å; N244-T248 PolarHBondContact O-OG1 3.27Å; T248-N264 PolarHBondContact O-ND2 3.35Å
249I98.9Very high96.2Very high0 Ų035.4 Ų35.40%017%0.172CC..EExtended strand (participates in β ladder)trans-133142.4167.4-169.1169000109.9L139 L140 V141 Y177 F251 N264 L266 Y290 L291 I294 F300 H305L139-I249 PolarHBondContact O-N 3.06Å; L140-I249 WeakPolarHBondContact CA-O 3.48Å; L140-I249 HydrophobicContact CD1-CG2 3.85Å; V141-I249 PolarHBondContact N-O 2.84Å; Y177-I249 HydrophobicContact CE1-CG2 4.02Å; I249-F251 HydrophobicContact CD1-CE1 3.64Å; I249-F251 HydrophobicContact CD1-CZ 4.43Å; I249-F251 HydrophobicContact CG1-CD1 4.27Å; I249-F251 HydrophobicContact CG1-CE1 3.83Å; I249-N264 CarbonylContact C-O 3.56Å; I249-N264 WeakPolarHBondContact CA-O 3.49Å; I249-L266 HydrophobicContact CD1-CB 4.46Å; I249-L266 HydrophobicContact CD1-CD1 4.47Å; I249-Y290 HydrophobicContact CD1-CE1 3.92Å; I249-L291 HydrophobicContact CD1-CD2 4.44Å; I249-L291 HydrophobicContact CG2-CD2 3.7Å; I249-I294 HydrophobicContact CD1-CD1 3.75Å; I249-F300 HydrophobicContact CB-CD2 4.35Å; I249-F300 HydrophobicContact CB-CE2 4.31Å; I249-F300 HydrophobicContact CG2-CE2 4.35Å; I249-H305 VanDerWaalsContact CD1-CE1 3.48Å; I249-H305 WeakPolarHBondContact CD1-CE1 3.45Å
250M98.9Very high96Very high0 Ų034.5 Ų34.50%017%0.169CC..EExtended strand (participates in β ladder)trans-122.2128.6-178.5179.1-177.6177.300110.2V141 K230 L232 D252 N257 F258 N264 L266V141-M250 HydrophobicContact CB-CB 4.08Å; V141-M250 HydrophobicContact CB-CG 4.02Å; V141-M250 HydrophobicContact CG1-CG 4.07Å; V141-M250 CarbonylContact O-C 3.21Å; V141-M250 VanDerWaalsContact O-CA 3.23Å; V141-M250 WeakPolarHBondContact O-CA 3.4Å; K230-M250 HydrophobicContact CB-CE 3.8Å; K230-M250 HydrophobicContact CD-CE 3.38Å; K230-M250 HydrophobicContact CG-CE 4.2Å; L232-M250 HydrophobicContact CD1-CB 4.3Å; L232-M250 HydrophobicContact CD2-CB 4.46Å; L232-M250 HydrophobicContact CD2-SD 4.3Å; M250-D252 HydrophobicContact CE-CB 3.93Å; M250-D252 VanDerWaalsContact CE-OD2 3.26Å; M250-D252 WeakPolarHBondContact CE-OD2 3.14Å; M250-N257 HydrophobicContact CE-CB 4.31Å; M250-F258 HydrophobicContact SD-CB 4.05Å; M250-F258 HydrophobicContact SD-CD1 4.42Å; M250-N264 PolarHBondContact N-O 3.28Å; M250-L266 PolarHBondContact O-N 3.02Å
251F98.8Very high95.8Very high0 Ų032.3 Ų32.30%015%0.147CC..EExtended strand (participates in β ladder)trans-104.2125.4172-62.7-8.4000109.7L140 V141 L142 D143 T147 F169 I249 L266 L287 L291L140-F251 HydrophobicContact CD1-CD1 4.47Å; L140-F251 HydrophobicContact CD1-CD2 4.25Å; L140-F251 HydrophobicContact CD1-CE1 4.45Å; L140-F251 HydrophobicContact CD1-CE2 4.2Å; L140-F251 HydrophobicContact CD1-CG 4.39Å; L140-F251 HydrophobicContact CD1-CZ 4.32Å; V141-F251 PolarHBondContact O-N 3.09Å; L142-F251 HydrophobicContact CD2-CB 3.84Å; L142-F251 HydrophobicContact CD2-CD2 3.75Å; L142-F251 HydrophobicContact CD2-CG 4.06Å; D143-F251 WeakPolarHBondContact CB-O 3.18Å; D143-F251 PolarHBondContact N-O 2.8Å; T147-F251 HydrophobicContact CG2-CB 4.44Å; F169-F251 AromaticContact CE2-CE2 3.9Å; F169-F251 HydrophobicContact CE2-CE2 3.9Å; F169-F251 AromaticContact CZ-CD2 3.94Å; F169-F251 HydrophobicContact CZ-CD2 3.94Å; F169-F251 AromaticContact CZ-CE2 3.71Å; F169-F251 HydrophobicContact CZ-CE2 3.71Å; I249-F251 HydrophobicContact CD1-CE1 3.64Å; I249-F251 HydrophobicContact CD1-CZ 4.43Å; I249-F251 HydrophobicContact CG1-CD1 4.27Å; I249-F251 HydrophobicContact CG1-CE1 3.83Å; F251-L266 HydrophobicContact CD1-CB 3.68Å; F251-L266 HydrophobicContact CD1-CD1 4.4Å; F251-L266 HydrophobicContact CD1-CD2 4.04Å; F251-L266 HydrophobicContact CD1-CG 4.25Å; F251-L266 HydrophobicContact CE1-CB 3.78Å; F251-L266 HydrophobicContact CE1-CD1 3.76Å; F251-L266 HydrophobicContact CE1-CD2 4.12Å; F251-L266 HydrophobicContact CE1-CG 4.1Å; F251-L266 HydrophobicContact CZ-CD1 4.34Å; F251-L287 HydrophobicContact CD2-CD1 4.05Å; F251-L287 HydrophobicContact CE1-CD2 4.47Å; F251-L287 HydrophobicContact CE2-CB 3.85Å; F251-L287 HydrophobicContact CE2-CD1 3.86Å; F251-L287 HydrophobicContact CE2-CD2 4.03Å; F251-L287 HydrophobicContact CE2-CG 4.14Å; F251-L287 HydrophobicContact CZ-CB 4.29Å; F251-L287 HydrophobicContact CZ-CD1 4.48Å; F251-L287 HydrophobicContact CZ-CD2 3.84Å; F251-L287 HydrophobicContact CZ-CG 4.43Å; F251-L291 HydrophobicContact CE1-CD2 4.34Å; F251-L291 HydrophobicContact CE2-CD1 4.06Å; F251-L291 HydrophobicContact CE2-CD2 4.44Å; F251-L291 HydrophobicContact CE2-CG 4.3Å; F251-L291 HydrophobicContact CZ-CD1 4.13Å; F251-L291 HydrophobicContact CZ-CD2 3.7Å; F251-L291 HydrophobicContact CZ-CG 3.9Å
252D98.1Very high95.6Very high0 Ų026.4 Ų26.40%012%0.122CC..EExtended strand (participates in β ladder)trans-153.7135.4-179.4-160.1-62.3000108D143 K230 M250 I254 N257 F258 L266 K267 I268D143-D252 HydrophobicContact CB-CB 3.99Å; D143-D252 WeakPolarHBondContact CB-OD2 3.11Å; K230-D252 IonicContact NZ-OD2 3.72Å; K230-D252 PolarHBondContact NZ-OD2 3.17Å; M250-D252 HydrophobicContact CE-CB 3.93Å; M250-D252 VanDerWaalsContact CE-OD2 3.26Å; M250-D252 WeakPolarHBondContact CE-OD2 3.14Å; D252-I254 PolarHBondContact O-N 3.39Å; D252-I254 WeakPolarHBondContact OD1-CB 3.37Å; D252-I254 PolarHBondContact OD1-N 2.79Å; D252-N257 PolarHBondContact OD1-ND2 3.5Å; D252-N257 VanDerWaalsContact OD2-CB 3.28Å; D252-N257 WeakPolarHBondContact OD2-CB 3.04Å; D252-N257 PolarHBondContact OD2-ND2 3.31Å; D252-F258 HydrophobicContact CB-CD1 4Å; D252-F258 HydrophobicContact CB-CE1 3.95Å; D252-L266 PolarHBondContact N-O 3.42Å; D252-K267 WeakPolarHBondContact O-CA 3.33Å; D252-I268 PolarHBondContact O-N 3.16Å
253D94.7Very high95.4Very high19 Ų1927.3 Ų27.310%0.10213%0.127CC..SBendtrans-76-13.9179.776.3-52.9000111.5T147 K267 I268 P270T147-D253 PolarHBondContact OG1-N 2.83Å; D253-K267 WeakPolarHBondContact O-CE 3.18Å; D253-I268 WeakPolarHBondContact CA-O 3.36Å; D253-I268 HydrophobicContact CB-CG2 4.06Å; D253-P270 HydrophobicContact CB-CB 4.04Å
254I91.4Very high95.4Very high48 Ų4827.6 Ų27.625%0.24613%0.129CC..  trans-106.5108.5178.8-60.6175.1000109.9D252 R256 N257D252-I254 PolarHBondContact O-N 3.39Å; D252-I254 WeakPolarHBondContact OD1-CB 3.37Å; D252-I254 PolarHBondContact OD1-N 2.79Å; I254-R256 HydrophobicContact CG2-CB 3.93Å; I254-R256 HydrophobicContact CG2-CG 3.72Å; I254-R256 VanDerWaalsContact CG2-NE 3.34Å; I254-R256 PolarHBondContact O-N 3.04Å; I254-N257 WeakPolarHBondContact O-CB 3.22Å; I254-N257 PolarHBondContact O-N 3.17Å
255G89.9Confident95.3Very high4 Ų424.9 Ų24.94%0.04112%0.116CC..G310 helixtrans-58.5-26.7-179.400000114.6N257 F258G255-N257 PolarHBondContact O-N 3.18Å; G255-F258 VanDerWaalsContact CA-CZ 3.49Å; G255-F258 WeakPolarHBondContact O-CD2 3.28Å; G255-F258 WeakPolarHBondContact O-CE2 3.43Å
256R89.4Confident95.3Very high18 Ų1817.4 Ų17.47%0.0689%0.088CC..G310 helixtrans-59.9-34.8177.3109.4-179.892.6-139.715.9112.1D94 V229 I254 F258 L259D94-R256 IonicContact OD2-CZ 3.54Å; D94-R256 IonicContact OD2-NH1 3.49Å; D94-R256 PolarHBondContact OD2-NH1 2.9Å; D94-R256 IonicContact OD2-NH2 2.92Å; D94-R256 PolarHBondContact OD2-NH2 2.8Å; V229-R256 WeakPolarHBondContact CG1-O 3.31Å; I254-R256 HydrophobicContact CG2-CB 3.93Å; I254-R256 HydrophobicContact CG2-CG 3.72Å; I254-R256 VanDerWaalsContact CG2-NE 3.34Å; I254-R256 PolarHBondContact O-N 3.04Å; R256-F258 PolarHBondContact O-N 2.79Å; R256-F258 VanDerWaalsContact O-N 3.11Å; R256-L259 HydrophobicContact CB-CD1 4.02Å; R256-L259 WeakPolarHBondContact O-CB 3.32Å; R256-L259 WeakPolarHBondContact O-CD1 3.45Å; R256-L259 WeakPolarHBondContact O-CG 3.25Å; R256-L259 PolarHBondContact O-N 3.29Å
257N93.3Very high95.2Very high9 Ų917 Ų175%0.0489%0.086CC..G310 helixtrans-64-25.9-168.4-77.7-16.4000111.9K230 M250 D252 I254 G255K230-N257 WeakPolarHBondContact CA-O 3.25Å; K230-N257 HydrophobicContact CD-CB 4.09Å; K230-N257 HydrophobicContact CG-CB 4.25Å; K230-N257 PolarHBondContact N-O 3.32Å; M250-N257 HydrophobicContact CE-CB 4.31Å; D252-N257 PolarHBondContact OD1-ND2 3.5Å; D252-N257 VanDerWaalsContact OD2-CB 3.28Å; D252-N257 WeakPolarHBondContact OD2-CB 3.04Å; D252-N257 PolarHBondContact OD2-ND2 3.31Å; I254-N257 WeakPolarHBondContact O-CB 3.22Å; I254-N257 PolarHBondContact O-N 3.17Å; G255-N257 PolarHBondContact O-N 3.18Å
258F93.8Very high95.2Very high19 Ų1916.4 Ų16.48%0.0838%0.083CC..G310 helixtrans-108.825.6177.347.2-102.7000113.7M250 D252 G255 R256 M260 N261 P262 K267M250-F258 HydrophobicContact SD-CB 4.05Å; M250-F258 HydrophobicContact SD-CD1 4.42Å; D252-F258 HydrophobicContact CB-CD1 4Å; D252-F258 HydrophobicContact CB-CE1 3.95Å; G255-F258 VanDerWaalsContact CA-CZ 3.49Å; G255-F258 WeakPolarHBondContact O-CD2 3.28Å; G255-F258 WeakPolarHBondContact O-CE2 3.43Å; R256-F258 PolarHBondContact O-N 2.79Å; R256-F258 VanDerWaalsContact O-N 3.11Å; F258-M260 PolarHBondContact O-N 3.41Å; F258-M260 VanDerWaalsContact O-N 3.15Å; F258-N261 WeakPolarHBondContact CB-ND2 3.14Å; F258-N261 CarbonylContact O-C 3.59Å; F258-N261 WeakPolarHBondContact O-CA 3.39Å; F258-N261 PolarHBondContact O-N 3.05Å; F258-P262 WeakPolarHBondContact O-CA 3.37Å; F258-K267 HydrophobicContact CZ-CB 4.13Å
259L92.1Very high95.1Very high3 Ų323.3 Ų23.32%0.01611%0.109CC..THydrogen-bonded Turntrans-53.8-32.6175.4-85.3162.9000113.7I101 V105 V108 T221 V227 V229 R256 N261I101-L259 HydrophobicContact CG2-CD2 4.12Å; V105-L259 HydrophobicContact CG2-CD2 4.45Å; V108-L259 HydrophobicContact CG2-CB 4.44Å; T221-L259 HydrophobicContact CG2-CD1 4.49Å; V227-L259 HydrophobicContact CG2-CD1 4.11Å; V229-L259 HydrophobicContact CG1-CB 4.06Å; V229-L259 HydrophobicContact CG1-CD1 4.09Å; R256-L259 HydrophobicContact CB-CD1 4.02Å; R256-L259 WeakPolarHBondContact O-CB 3.32Å; R256-L259 WeakPolarHBondContact O-CD1 3.45Å; R256-L259 WeakPolarHBondContact O-CG 3.25Å; R256-L259 PolarHBondContact O-N 3.29Å; L259-N261 VanDerWaalsContact C-N 3.32Å
260M93.4Very high95Very high8 Ų825.8 Ų25.84%0.03913%0.125CC..THydrogen-bonded Turntrans-83.4-5.2177.4-68.9-66.6-63.800113.7V108 Q109 N114 I118 I217 V219 V229 P231 F258V108-M260 HydrophobicContact CB-SD 4.3Å; V108-M260 HydrophobicContact CG2-SD 4.27Å; V108-M260 VanDerWaalsContact O-SD 3.41Å; Q109-M260 WeakPolarHBondContact CG-O 3.26Å; Q109-M260 PolarHBondContact NE2-O 3.48Å; Q109-M260 WeakPolarHBondContact O-CE 3.38Å; N114-M260 HydrophobicContact CB-CE 3.6Å; N114-M260 HydrophobicContact CB-SD 4.1Å; I118-M260 HydrophobicContact CD1-CE 3.83Å; I217-M260 HydrophobicContact CD1-CG 4.46Å; V219-M260 HydrophobicContact CG1-CG 4.2Å; V219-M260 HydrophobicContact CG1-SD 4.02Å; V229-M260 HydrophobicContact CG2-CG 3.74Å; P231-M260 HydrophobicContact CB-CB 4.33Å; F258-M260 PolarHBondContact O-N 3.41Å; F258-M260 VanDerWaalsContact O-N 3.15Å
261N94.6Very high94.9Very high1 Ų125.9 Ų25.91%0.00513%0.126CC..SBendtrans-152.557.7-178.445.2-101000110.5K230 L232 W236 F258 L259 Q263 N264 G265K230-N261 PolarHBondContact O-OD1 3.44Å; L232-N261 HydrophobicContact CB-CB 4.23Å; L232-N261 HydrophobicContact CD1-CB 4.01Å; L232-N261 VanDerWaalsContact CD1-ND2 3.35Å; L232-N261 WeakPolarHBondContact CD1-ND2 3.43Å; L232-N261 HydrophobicContact CG-CB 4.29Å; L232-N261 WeakPolarHBondContact CG-ND2 3.46Å; L232-N261 PolarHBondContact N-OD1 3.45Å; W236-N261 HydrophobicContact CH2-CB 4.1Å; F258-N261 WeakPolarHBondContact CB-ND2 3.14Å; F258-N261 CarbonylContact O-C 3.59Å; F258-N261 WeakPolarHBondContact O-CA 3.39Å; F258-N261 PolarHBondContact O-N 3.05Å; L259-N261 VanDerWaalsContact C-N 3.32Å; N261-Q263 VanDerWaalsContact C-N 3.29Å; N261-Q263 PolarHBondContact O-N 3.39Å; N261-N264 HydrophobicContact CB-CB 4.43Å; N261-N264 PolarHBondContact O-N 2.76Å; N261-N264 VanDerWaalsContact O-N 3.08Å; N261-G265 PolarHBondContact O-N 2.98Å
262P92.6Very high94.7Very high37 Ų3729.8 Ų29.824%0.2415%0.145CC..G310 helixtrans-58.1-39.4-171.229.2-43.8000113V105 F258 N264 G265V105-P262 HydrophobicContact CG1-CB 3.38Å; V105-P262 HydrophobicContact CG1-CG 3.24Å; V105-P262 HydrophobicContact CG2-CB 4.25Å; F258-P262 WeakPolarHBondContact O-CA 3.37Å; P262-N264 PolarHBondContact O-N 2.93Å; P262-G265 PolarHBondContact O-N 2.85Å
263Q94Very high94.5Very high78 Ų7835.6 Ų35.636%0.36417%0.17SC..G310 helixtrans-69.8-19.8-176.7-177.253.641.500112.5N261 S301 L303 H305N261-Q263 VanDerWaalsContact C-N 3.29Å; N261-Q263 PolarHBondContact O-N 3.39Å; Q263-S301 PolarHBondContact NE2-O 3.35Å; Q263-L303 PolarHBondContact NE2-O 2.97Å; Q263-H305 PolarHBondContact O-CD2 2.86Å; Q263-H305 PolarHBondContact O-NE2 2.87Å
264N97.6Very high94.5Very high6 Ų634.7 Ų34.73%0.03217%0.165CC..G310 helixtrans-99.1-7.8179.9-6497.8000112.4L232 R245 T248 I249 M250 N261 P262L232-N264 HydrophobicContact CD1-CB 3.5Å; R245-N264 PolarHBondContact O-ND2 3.05Å; T248-N264 PolarHBondContact O-ND2 3.35Å; I249-N264 CarbonylContact C-O 3.56Å; I249-N264 WeakPolarHBondContact CA-O 3.49Å; M250-N264 PolarHBondContact N-O 3.28Å; N261-N264 HydrophobicContact CB-CB 4.43Å; N261-N264 PolarHBondContact O-N 2.76Å; N261-N264 VanDerWaalsContact O-N 3.08Å; P262-N264 PolarHBondContact O-N 2.93Å
265G96.9Very high94.5Very high7 Ų739.2 Ų39.27%0.07219%0.185CC..EExtended strand (participates in β ladder)trans-91.1133.6179.800000112.4N261 P262 H305N261-G265 PolarHBondContact O-N 2.98Å; P262-G265 PolarHBondContact O-N 2.85Å; G265-H305 WeakPolarHBondContact O-CB 3.32Å
266L97.9Very high94.8Very high1 Ų143.8 Ų43.81%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-113.3117.7164.1-177.1155.7000107.6I249 M250 F251 D252 I268 L287 Y290 H305 W308I249-L266 HydrophobicContact CD1-CB 4.46Å; I249-L266 HydrophobicContact CD1-CD1 4.47Å; M250-L266 PolarHBondContact O-N 3.02Å; F251-L266 HydrophobicContact CD1-CB 3.68Å; F251-L266 HydrophobicContact CD1-CD1 4.4Å; F251-L266 HydrophobicContact CD1-CD2 4.04Å; F251-L266 HydrophobicContact CD1-CG 4.25Å; F251-L266 HydrophobicContact CE1-CB 3.78Å; F251-L266 HydrophobicContact CE1-CD1 3.76Å; F251-L266 HydrophobicContact CE1-CD2 4.12Å; F251-L266 HydrophobicContact CE1-CG 4.1Å; F251-L266 HydrophobicContact CZ-CD1 4.34Å; D252-L266 PolarHBondContact N-O 3.42Å; L266-I268 HydrophobicContact CD2-CB 4.34Å; L266-I268 PolarHBondContact O-N 3.49Å; L266-I268 VanDerWaalsContact O-N 3.11Å; L266-L287 HydrophobicContact CD1-CD2 3.87Å; L266-L287 HydrophobicContact CD2-CD2 3.89Å; L266-Y290 HydrophobicContact CD1-CD1 4.05Å; L266-Y290 HydrophobicContact CD1-CE1 3.75Å; L266-H305 HydrophobicContact CB-CB 3.93Å; L266-H305 HydrophobicContact CD1-CB 4.29Å; L266-H305 HydrophobicContact CG-CB 4.2Å; L266-W308 HydrophobicContact CD1-CB 3.86Å; L266-W308 HydrophobicContact CD1-CD2 4.38Å; L266-W308 HydrophobicContact CD1-CG 3.72Å
267K96.6Very high95Very high86 Ų8646 Ų4637%0.37422%0.221SC..EExtended strand (participates in β ladder)trans-73.1101.4174.4-166.5177.7-172.81780109.6D98 D252 D253 F258D98-K267 IonicContact OD1-NZ 2.66Å; D98-K267 PolarHBondContact OD1-NZ 3.06Å; D98-K267 IonicContact OD2-NZ 2.71Å; D98-K267 PolarHBondContact OD2-NZ 3.31Å; D252-K267 WeakPolarHBondContact O-CA 3.33Å; D253-K267 WeakPolarHBondContact O-CE 3.18Å; F258-K267 HydrophobicContact CZ-CB 4.13Å
268I97.7Very high95.1Very high1 Ų150.7 Ų50.71%0.00524%0.238CC..PPolyproline II helixtrans-75.7149.2177.1-170.4169.5000109.6T147 D252 D253 L266 E283 L284 L287T147-I268 HydrophobicContact CG2-CD1 4.49Å; T147-I268 HydrophobicContact CG2-CG2 4.13Å; D252-I268 PolarHBondContact O-N 3.16Å; D253-I268 WeakPolarHBondContact CA-O 3.36Å; D253-I268 HydrophobicContact CB-CG2 4.06Å; L266-I268 HydrophobicContact CD2-CB 4.34Å; L266-I268 PolarHBondContact O-N 3.49Å; L266-I268 VanDerWaalsContact O-N 3.11Å; I268-E283 HydrophobicContact CD1-CG 4.26Å; I268-E283 HydrophobicContact CG1-CG 3.86Å; I268-L284 HydrophobicContact CD1-CD2 3.88Å; I268-L287 HydrophobicContact CD1-CD1 3.32Å; I268-L287 HydrophobicContact CG1-CD1 3.73Å
269R96.4Very high95.2Very high144 Ų14457.6 Ų57.654%0.54327%0.271SS..PPolyproline II helixtrans-66.2132171.6-65.8176.3-166.4-88.10.1109.3R163 F271 E283 E309R163-R269 VanDerWaalsContact CZ-O 3.29Å; R163-R269 PolarHBondContact NH1-O 3.36Å; R163-R269 PolarHBondContact NH2-O 3.17Å; R269-F271 PolarHBondContact O-N 3.35Å; R269-E283 VanDerWaalsContact CD-OE1 3.31Å; R269-E283 WeakPolarHBondContact CD-OE1 3.09Å; R269-E283 VanDerWaalsContact CG-OE1 3.25Å; R269-E283 WeakPolarHBondContact CG-OE1 3.35Å; R269-E283 IonicContact NE-OE1 3.24Å; R269-E309 IonicContact NH2-OE2 2.68Å; R269-E309 PolarHBondContact NH2-OE2 2.88Å
270P96.4Very high95.4Very high53 Ų5365.3 Ų65.334%0.34430%0.304SS..PPolyproline II helixtrans-66135.3179.826.6-34.8000111Y146 D253 M272Y146-P270 HydrophobicContact CD2-CB 4.23Å; Y146-P270 HydrophobicContact CG-CB 4.25Å; D253-P270 HydrophobicContact CB-CB 4.04Å; P270-M272 HydrophobicContact CB-CG 4.13Å; P270-M272 HydrophobicContact CB-SD 4.49Å; P270-M272 HydrophobicContact CG-CE 4.05Å; P270-M272 PolarHBondContact O-N 3.09Å
271F97.3Very high95.7Very high2 Ų266.1 Ų66.11%0.00931%0.309CS..  trans-91.896174.2-178.8-114.3000110.5Y146 D150 L161 R163 P164 R269 A274 N277 R278 D281Y146-F271 WeakPolarHBondContact CD1-O 3.4Å; Y146-F271 PolarHBondContact O-N 2.85Å; D150-F271 HydrophobicContact CB-CD1 4.07Å; D150-F271 HydrophobicContact CB-CE1 4.1Å; L161-F271 WeakPolarHBondContact O-CE1 3.46Å; R163-F271 HydrophobicContact CB-CB 4.45Å; R163-F271 HydrophobicContact CB-CD1 3.76Å; R163-F271 HydrophobicContact CB-CE1 4.15Å; R163-F271 HydrophobicContact CB-CG 4.04Å; R163-F271 HydrophobicContact CG-CB 3.98Å; R163-F271 HydrophobicContact CG-CD1 3.96Å; R163-F271 HydrophobicContact CG-CD2 4.01Å; R163-F271 HydrophobicContact CG-CE1 4.47Å; R163-F271 HydrophobicContact CG-CG 3.7Å; P164-F271 HydrophobicContact CG-CE2 4.43Å; R269-F271 PolarHBondContact O-N 3.35Å; F271-A274 HydrophobicContact CE1-CB 3.66Å; F271-A274 HydrophobicContact CZ-CB 3.64Å; F271-N277 HydrophobicContact CE2-CB 4.4Å; F271-R278 HydrophobicContact CZ-CB 4.24Å; F271-D281 HydrophobicContact CD2-CB 4.01Å; F271-D281 HydrophobicContact CE2-CB 3.97Å
272M93.9Very high95.8Very high81 Ų8171.4 Ų71.440%0.39933%0.329SS..  trans-115.5156.7-178.1-53.3-177-76.700110.9Y146 P270 N277Y146-M272 HydrophobicContact CD1-CG 3.91Å; Y146-M272 HydrophobicContact CD2-CG 4.09Å; Y146-M272 HydrophobicContact CE1-CB 4.15Å; Y146-M272 HydrophobicContact CE1-CG 3.65Å; Y146-M272 HydrophobicContact CE2-CG 3.82Å; Y146-M272 HydrophobicContact CE2-SD 3.97Å; Y146-M272 HydrophobicContact CG-CG 4.12Å; P270-M272 HydrophobicContact CB-CG 4.13Å; P270-M272 HydrophobicContact CB-SD 4.49Å; P270-M272 HydrophobicContact CG-CE 4.05Å; P270-M272 PolarHBondContact O-N 3.09Å; M272-N277 PolarHBondContact O-ND2 2.96Å
273K93.9Very high96.1Very high122 Ų12270.1 Ų70.153%0.5332%0.32SS..  trans52.959175.5-55-179.7-177.4-178.90110.9D150 H275 L276 N277D150-K273 WeakPolarHBondContact OD2-CA 3.48Å; D150-K273 PolarHBondContact OD2-N 2.91Å; K273-H275 PolarHBondContact O-N 3.48Å; K273-H275 VanDerWaalsContact O-N 3.14Å; K273-L276 HydrophobicContact CB-CB 4.43Å; K273-L276 HydrophobicContact CB-CD1 4.26Å; K273-L276 HydrophobicContact CB-CG 4.43Å; K273-L276 HydrophobicContact CD-CD1 4.1Å; K273-L276 PolarHBondContact O-N 3.43Å; K273-N277 PolarHBondContact O-N 2.69Å; K273-N277 VanDerWaalsContact O-N 3.12Å
274A94.8Very high96.3Very high1 Ų166.5 Ų66.51%0.00830%0.303CS..Hα-helixtrans-50-42.8-174.700000112.3D150 E160 L161 F271 L276 N277 R278D150-A274 HydrophobicContact CB-CB 3.83Å; D150-A274 PolarHBondContact OD2-N 2.86Å; E160-A274 VanDerWaalsContact O-CB 3.31Å; E160-A274 WeakPolarHBondContact O-CB 3.43Å; L161-A274 HydrophobicContact CD2-CB 4.49Å; F271-A274 HydrophobicContact CE1-CB 3.66Å; F271-A274 HydrophobicContact CZ-CB 3.64Å; A274-L276 PolarHBondContact O-N 2.86Å; A274-N277 PolarHBondContact O-N 3.33Å; A274-N277 VanDerWaalsContact O-N 3.14Å; A274-R278 WeakPolarHBondContact O-CB 3.21Å; A274-R278 PolarHBondContact O-N 2.69Å
275H92.4Very high96.3Very high142 Ų14268 Ų6866%0.65731%0.314SS*.Hα-helixtrans-54.6-24.817663.6-81.7000115K273K273-H275 PolarHBondContact O-N 3.48Å; K273-H275 VanDerWaalsContact O-N 3.14Å
276L95Very high96.4Very high101 Ų10171.5 Ų71.553%0.52933%0.327SS..Hα-helixtrans-100.2-30.8176.6-58179.6000113.6K273 A274K273-L276 HydrophobicContact CB-CB 4.43Å; K273-L276 HydrophobicContact CB-CD1 4.26Å; K273-L276 HydrophobicContact CB-CG 4.43Å; K273-L276 HydrophobicContact CD-CD1 4.1Å; K273-L276 PolarHBondContact O-N 3.43Å; A274-L276 PolarHBondContact O-N 2.86Å
277N95.5Very high96.5Very high64 Ų6471.5 Ų71.534%0.34233%0.327SS..Hα-helixtrans-111-17-163.3-69.1-36.7000114.1F271 M272 K273 A274 E279 K280 D281F271-N277 HydrophobicContact CE2-CB 4.4Å; M272-N277 PolarHBondContact O-ND2 2.96Å; K273-N277 PolarHBondContact O-N 2.69Å; K273-N277 VanDerWaalsContact O-N 3.12Å; A274-N277 PolarHBondContact O-N 3.33Å; A274-N277 VanDerWaalsContact O-N 3.14Å; N277-E279 VanDerWaalsContact C-N 3.27Å; N277-E279 PolarHBondContact O-N 3.25Å; N277-K280 PolarHBondContact O-N 3.35Å; N277-D281 PolarHBondContact O-N 2.97Å
278R94.9Very high96.6Very high107 Ų10767.9 Ų67.940%0.40431%0.313SS..THydrogen-bonded Turntrans-54.9-39-175.4-171.2-179.8-173.8-81.81.2113.2Q159 P164 F271 A274 K280Q159-R278 PolarHBondContact O-NE 2.67Å; Q159-R278 PolarHBondContact O-NH2 2.84Å; P164-R278 HydrophobicContact CG-CB 4.34Å; P164-R278 HydrophobicContact CG-CG 3.73Å; P164-R278 WeakPolarHBondContact CG-O 3.06Å; F271-R278 HydrophobicContact CZ-CB 4.24Å; A274-R278 WeakPolarHBondContact O-CB 3.21Å; A274-R278 PolarHBondContact O-N 2.69Å; R278-K280 PolarHBondContact O-N 3.22Å
279E95.4Very high96.6Very high165 Ų16571.7 Ų71.777%0.77133%0.331SS*.THydrogen-bonded Turntrans-71.7-20.3179.7-63.7-171.6164.200113.6N277 R282N277-E279 VanDerWaalsContact C-N 3.27Å; N277-E279 PolarHBondContact O-N 3.25Å; E279-R282 VanDerWaalsContact O-CZ 3.24Å; E279-R282 PolarHBondContact O-NH1 3.17Å; E279-R282 PolarHBondContact O-NH2 3.5Å
280K96.8Very high96.7Very high164 Ų16464.9 Ų64.971%0.71331%0.305SS*.THydrogen-bonded Turntrans-104.8-27.2-173-60.4174.5-173.1167.10113.2N277 R278 R282N277-K280 PolarHBondContact O-N 3.35Å; R278-K280 PolarHBondContact O-N 3.22Å; K280-R282 PolarHBondContact O-N 2.86Å
281D98.3Very high96.8Very high26 Ų2662.4 Ų62.414%0.13929%0.289CS..  trans-66.4126.9179.8-169.4-61.7000110.3R163 P164 F271 N277 E283R163-D281 IonicContact CZ-OD2 2.94Å; R163-D281 IonicContact NE-OD1 2.75Å; R163-D281 PolarHBondContact NE-OD1 3.5Å; R163-D281 IonicContact NE-OD2 2.69Å; R163-D281 PolarHBondContact NE-OD2 3.19Å; R163-D281 IonicContact NH2-OD1 3.9Å; R163-D281 IonicContact NH2-OD2 3.21Å; R163-D281 PolarHBondContact NH2-OD2 2.91Å; P164-D281 HydrophobicContact CG-CB 4.12Å; F271-D281 HydrophobicContact CD2-CB 4.01Å; F271-D281 HydrophobicContact CE2-CB 3.97Å; N277-D281 PolarHBondContact O-N 2.97Å; D281-E283 WeakPolarHBondContact OD1-CB 3.42Å; D281-E283 PolarHBondContact OD1-N 2.81Å
282R97.9Very high96.8Very high112 Ų11265.5 Ų65.542%0.42330%0.303SS..  trans-129.815177.3-63.4-66.3177.5-78.4-5110.9F165 E279 K280 S285 K286F165-R282 VanDerWaalsContact CE2-CD 3.4Å; E279-R282 VanDerWaalsContact O-CZ 3.24Å; E279-R282 PolarHBondContact O-NH1 3.17Å; E279-R282 PolarHBondContact O-NH2 3.5Å; K280-R282 PolarHBondContact O-N 2.86Å; R282-S285 PolarHBondContact O-N 3.2Å; R282-K286 WeakPolarHBondContact O-CG 3.38Å; R282-K286 PolarHBondContact O-N 3.2Å; R282-K286 VanDerWaalsContact O-N 3.08Å
283E98.3Very high97Very high10 Ų1063.8 Ų63.85%0.04729%0.294CS..Hα-helixtrans-65.6-48.5-167.4-161.578.1158.100110.8R163 I268 R269 D281 S285 K286 L287R163-E283 VanDerWaalsContact NH2-CB 3.27Å; I268-E283 HydrophobicContact CD1-CG 4.26Å; I268-E283 HydrophobicContact CG1-CG 3.86Å; R269-E283 VanDerWaalsContact CD-OE1 3.31Å; R269-E283 WeakPolarHBondContact CD-OE1 3.09Å; R269-E283 VanDerWaalsContact CG-OE1 3.25Å; R269-E283 WeakPolarHBondContact CG-OE1 3.35Å; R269-E283 IonicContact NE-OE1 3.24Å; D281-E283 WeakPolarHBondContact OD1-CB 3.42Å; D281-E283 PolarHBondContact OD1-N 2.81Å; E283-S285 VanDerWaalsContact C-N 3.3Å; E283-S285 PolarHBondContact O-N 3.44Å; E283-K286 PolarHBondContact O-N 3.21Å; E283-L287 HydrophobicContact CG-CD1 4.01Å; E283-L287 WeakPolarHBondContact O-CB 3.49Å; E283-L287 WeakPolarHBondContact O-CG 3.36Å; E283-L287 PolarHBondContact O-N 3.22Å
284L98.7Very high97.2Very high1 Ų158 Ų581%0.00527%0.268CS..Hα-helixtrans-62.1-36.4177.6-65.5-172.7000112.6R163 F165 L166 F169 I268 L287 A288R163-L284 HydrophobicContact CB-CD1 3.98Å; R163-L284 HydrophobicContact CG-CD1 3.87Å; R163-L284 HydrophobicContact CG-CG 4.09Å; F165-L284 HydrophobicContact CB-CB 4.47Å; L166-L284 HydrophobicContact CB-CD1 4.28Å; L166-L284 HydrophobicContact CD1-CD1 4.11Å; F169-L284 HydrophobicContact CB-CB 3.89Å; F169-L284 HydrophobicContact CD1-CD1 4.43Å; F169-L284 HydrophobicContact CD1-CD2 4.15Å; F169-L284 HydrophobicContact CD2-CB 4.31Å; F169-L284 HydrophobicContact CD2-CD2 4.49Å; F169-L284 VanDerWaalsContact CD2-O 3.28Å; F169-L284 WeakPolarHBondContact CD2-O 3.3Å; F169-L284 HydrophobicContact CE1-CD2 4.28Å; F169-L284 HydrophobicContact CG-CB 4.02Å; F169-L284 HydrophobicContact CG-CD2 4.27Å; I268-L284 HydrophobicContact CD1-CD2 3.88Å; L284-L287 HydrophobicContact CD2-CD1 4.46Å; L284-L287 PolarHBondContact O-N 3.01Å; L284-A288 WeakPolarHBondContact O-CB 3.38Å; L284-A288 PolarHBondContact O-N 3.38Å
285S98.3Very high97.4Very high39 Ų3958.5 Ų58.527%0.27327%0.273SS..Hα-helixtrans-62.9-44.5175.4179.60000112R282 E283 Q289R282-S285 PolarHBondContact O-N 3.2Å; E283-S285 VanDerWaalsContact C-N 3.3Å; E283-S285 PolarHBondContact O-N 3.44Å; S285-Q289 PolarHBondContact O-N 3.45Å
286K98.4Very high97.6Very high80 Ų8058.6 Ų58.635%0.34827%0.271SS..Hα-helixtrans-68.6-38.6175.9-67.3175.2177.6179.80112R282 E283 A288 Q289 Y290 W308 E309R282-K286 WeakPolarHBondContact O-CG 3.38Å; R282-K286 PolarHBondContact O-N 3.2Å; R282-K286 VanDerWaalsContact O-N 3.08Å; E283-K286 PolarHBondContact O-N 3.21Å; K286-A288 VanDerWaalsContact C-N 3.34Å; K286-Q289 WeakPolarHBondContact O-CB 3.45Å; K286-Q289 PolarHBondContact O-N 2.83Å; K286-Y290 PolarHBondContact O-N 2.92Å; K286-W308 HydrophobicContact CB-CH2 3.51Å; K286-W308 HydrophobicContact CB-CZ3 3.74Å; K286-W308 HydrophobicContact CD-CH2 4.02Å; K286-W308 HydrophobicContact CG-CH2 4.48Å; K286-E309 IonicContact NZ-OE1 3.15Å; K286-E309 PolarHBondContact NZ-OE1 3.4Å
287L98.7Very high97.7Very high0 Ų056 Ų560%026%0.257CS..Hα-helixtrans-67.7-33.5178.1-74169.9000112.2F169 F251 L266 I268 E283 L284 Q289 Y290 L291 W308F169-L287 HydrophobicContact CD2-CB 4.5Å; F169-L287 HydrophobicContact CE2-CB 4.05Å; F251-L287 HydrophobicContact CD2-CD1 4.05Å; F251-L287 HydrophobicContact CE1-CD2 4.47Å; F251-L287 HydrophobicContact CE2-CB 3.85Å; F251-L287 HydrophobicContact CE2-CD1 3.86Å; F251-L287 HydrophobicContact CE2-CD2 4.03Å; F251-L287 HydrophobicContact CE2-CG 4.14Å; F251-L287 HydrophobicContact CZ-CB 4.29Å; F251-L287 HydrophobicContact CZ-CD1 4.48Å; F251-L287 HydrophobicContact CZ-CD2 3.84Å; F251-L287 HydrophobicContact CZ-CG 4.43Å; L266-L287 HydrophobicContact CD1-CD2 3.87Å; L266-L287 HydrophobicContact CD2-CD2 3.89Å; I268-L287 HydrophobicContact CD1-CD1 3.32Å; I268-L287 HydrophobicContact CG1-CD1 3.73Å; E283-L287 HydrophobicContact CG-CD1 4.01Å; E283-L287 WeakPolarHBondContact O-CB 3.49Å; E283-L287 WeakPolarHBondContact O-CG 3.36Å; E283-L287 PolarHBondContact O-N 3.22Å; L284-L287 HydrophobicContact CD2-CD1 4.46Å; L284-L287 PolarHBondContact O-N 3.01Å; L287-Q289 VanDerWaalsContact C-N 3.29Å; L287-Q289 PolarHBondContact O-N 3.48Å; L287-Y290 HydrophobicContact CD2-CD1 4.49Å; L287-Y290 PolarHBondContact O-N 3.45Å; L287-L291 WeakPolarHBondContact O-CB 3.35Å; L287-L291 WeakPolarHBondContact O-CG 3.41Å; L287-L291 PolarHBondContact O-N 3.41Å; L287-W308 HydrophobicContact CD2-CD2 3.91Å; L287-W308 HydrophobicContact CD2-CE3 3.99Å; L287-W308 HydrophobicContact CD2-CH2 3.93Å; L287-W308 HydrophobicContact CD2-CZ2 3.85Å; L287-W308 HydrophobicContact CD2-CZ3 4Å; L287-W308 HydrophobicContact CG-CH2 4.02Å; L287-W308 HydrophobicContact CG-CZ2 4.17Å; L287-W308 HydrophobicContact CG-CZ3 4.36Å
288A98.7Very high97.7Very high10 Ų1061.1 Ų61.18%0.08328%0.279CS..Hα-helixtrans-56.8-45.2170.600000111.3F169 L284 K286 L291 K292F169-A288 HydrophobicContact CD2-CB 3.95Å; L284-A288 WeakPolarHBondContact O-CB 3.38Å; L284-A288 PolarHBondContact O-N 3.38Å; K286-A288 VanDerWaalsContact C-N 3.34Å; A288-L291 PolarHBondContact O-N 2.77Å; A288-K292 PolarHBondContact O-N 3.21Å
289Q98.3Very high97.8Very high81 Ų8158.7 Ų58.738%0.37927%0.274SS..Hα-helixtrans-64.8-42.5176.7-60.3173.128.700111.4S285 K286 L287 K292 E293 L312S285-Q289 PolarHBondContact O-N 3.45Å; K286-Q289 WeakPolarHBondContact O-CB 3.45Å; K286-Q289 PolarHBondContact O-N 2.83Å; L287-Q289 VanDerWaalsContact C-N 3.29Å; L287-Q289 PolarHBondContact O-N 3.48Å; Q289-K292 PolarHBondContact O-N 3.12Å; Q289-E293 PolarHBondContact O-N 3.31Å; Q289-L312 HydrophobicContact CB-CD1 3.93Å; Q289-L312 HydrophobicContact CB-CD2 4.01Å
290Y98.6Very high97.9Very high1 Ų150.9 Ų50.90%0.00424%0.238CC..Hα-helixtrans-60.6-45.5176.4178.2-110.4000112.2I249 L266 K286 L287 K292 E293 I294 H305 W308 Y311I249-Y290 HydrophobicContact CD1-CE1 3.92Å; L266-Y290 HydrophobicContact CD1-CD1 4.05Å; L266-Y290 HydrophobicContact CD1-CE1 3.75Å; K286-Y290 PolarHBondContact O-N 2.92Å; L287-Y290 HydrophobicContact CD2-CD1 4.49Å; L287-Y290 PolarHBondContact O-N 3.45Å; Y290-K292 PolarHBondContact O-N 2.8Å; Y290-E293 PolarHBondContact O-N 3.17Å; Y290-I294 HydrophobicContact CD1-CD1 4.33Å; Y290-I294 HydrophobicContact CD2-CG2 4.11Å; Y290-I294 HydrophobicContact CE1-CD1 3.73Å; Y290-I294 HydrophobicContact CE1-CG2 4.28Å; Y290-I294 HydrophobicContact CE2-CG2 3.56Å; Y290-I294 PolarHBondContact O-N 3.25Å; Y290-H305 AromaticContact CZ-ND1 3.85Å; Y290-H305 PolarHBondContact OH-CE1 3.24Å; Y290-H305 PolarHBondContact OH-ND1 2.74Å; Y290-W308 HydrophobicContact CD1-CB 4.14Å; Y290-W308 HydrophobicContact CD1-CE3 4.48Å; Y290-W308 HydrophobicContact CD2-CB 3.89Å; Y290-W308 HydrophobicContact CD2-CE3 4.27Å; Y290-W308 HydrophobicContact CE1-CB 3.91Å; Y290-W308 HydrophobicContact CE2-CB 3.65Å; Y290-W308 HydrophobicContact CG-CB 4.14Å; Y290-W308 AromaticContact CG-CE3 3.94Å; Y290-W308 HydrophobicContact CG-CE3 3.94Å; Y290-Y311 AromaticContact CD2-CD1 3.95Å; Y290-Y311 HydrophobicContact CD2-CD1 3.95Å; Y290-Y311 AromaticContact CE2-CD1 3.66Å; Y290-Y311 HydrophobicContact CE2-CD1 3.66Å; Y290-Y311 HydrophobicContact CE2-CE1 4.36Å; Y290-Y311 HydrophobicContact CE2-CG 4.14Å
291L98.8Very high97.8Very high1 Ų145.5 Ų45.51%0.00522%0.221CC..Hα-helixtrans-60.3-43.7176.8-73.7-179.4000112.2L140 F169 A173 Y177 I249 F251 L287 A288 E293 I294 A295L140-L291 HydrophobicContact CD1-CD1 4.06Å; L140-L291 HydrophobicContact CD1-CD2 4.22Å; L140-L291 HydrophobicContact CD2-CD1 3.71Å; L140-L291 HydrophobicContact CG-CD1 4.48Å; F169-L291 HydrophobicContact CE2-CD1 3.61Å; F169-L291 HydrophobicContact CZ-CD1 3.89Å; A173-L291 HydrophobicContact CB-CD1 3.96Å; Y177-L291 HydrophobicContact CD2-CB 4.48Å; Y177-L291 HydrophobicContact CE1-CD2 4.13Å; Y177-L291 HydrophobicContact CE2-CB 3.76Å; Y177-L291 HydrophobicContact CE2-CD2 4.19Å; Y177-L291 HydrophobicContact CE2-CG 4.42Å; Y177-L291 WeakPolarHBondContact CE2-O 3.39Å; Y177-L291 PolarHBondContact OH-O 2.86Å; I249-L291 HydrophobicContact CD1-CD2 4.44Å; I249-L291 HydrophobicContact CG2-CD2 3.7Å; F251-L291 HydrophobicContact CE1-CD2 4.34Å; F251-L291 HydrophobicContact CE2-CD1 4.06Å; F251-L291 HydrophobicContact CE2-CD2 4.44Å; F251-L291 HydrophobicContact CE2-CG 4.3Å; F251-L291 HydrophobicContact CZ-CD1 4.13Å; F251-L291 HydrophobicContact CZ-CD2 3.7Å; F251-L291 HydrophobicContact CZ-CG 3.9Å; L287-L291 WeakPolarHBondContact O-CB 3.35Å; L287-L291 WeakPolarHBondContact O-CG 3.41Å; L287-L291 PolarHBondContact O-N 3.41Å; A288-L291 PolarHBondContact O-N 2.77Å; L291-E293 VanDerWaalsContact C-N 3.32Å; L291-E293 PolarHBondContact O-N 3.1Å; L291-I294 HydrophobicContact CD2-CD1 4.28Å; L291-I294 PolarHBondContact O-N 3.15Å; L291-A295 VanDerWaalsContact O-CB 3.28Å; L291-A295 WeakPolarHBondContact O-CB 3.17Å; L291-A295 PolarHBondContact O-N 2.62Å
292K98.3Very high97.5Very high68 Ų6848 Ų4830%0.29625%0.253SS..Hα-helixtrans-60.5-39.6175-79.8-166.9161.7179.20112.5S172 E175 A288 Q289 Y290S172-K292 WeakPolarHBondContact OG-CE 3.32Å; E175-K292 VanDerWaalsContact CD-NZ 3.28Å; E175-K292 IonicContact OE1-NZ 2.69Å; E175-K292 PolarHBondContact OE1-NZ 3.38Å; E175-K292 WeakPolarHBondContact OE2-CE 3.37Å; E175-K292 IonicContact OE2-NZ 2.8Å; E175-K292 PolarHBondContact OE2-NZ 2.87Å; A288-K292 PolarHBondContact O-N 3.21Å; Q289-K292 PolarHBondContact O-N 3.12Å; Y290-K292 PolarHBondContact O-N 2.8Å
293E97.8Very high97.4Very high45 Ų4543.3 Ų43.321%0.2124%0.236CC..Hα-helixtrans-71.4-39.4179.4-73.7-52128.300113.3Q289 Y290 L291 K296 Y311 L312 R315Q289-E293 PolarHBondContact O-N 3.31Å; Y290-E293 PolarHBondContact O-N 3.17Å; L291-E293 VanDerWaalsContact C-N 3.32Å; L291-E293 PolarHBondContact O-N 3.1Å; E293-K296 IonicContact OE1-NZ 3.4Å; E293-K296 PolarHBondContact OE1-NZ 2.81Å; E293-K296 IonicContact OE2-NZ 2.6Å; E293-K296 PolarHBondContact OE2-NZ 3.4Å; E293-Y311 HydrophobicContact CB-CE1 4.08Å; E293-L312 HydrophobicContact CG-CD1 4.03Å; E293-R315 HydrophobicContact CG-CB 4.47Å
294I98.2Very high97.3Very high0 Ų047.1 Ų47.10%026%0.257CS..Hα-helixtrans-80.7-23.5-179.973.2176.8000112.5Y177 I249 Y290 L291 K296 L297 F300 L303 Y311Y177-I294 WeakPolarHBondContact OH-CG1 3.46Å; I249-I294 HydrophobicContact CD1-CD1 3.75Å; Y290-I294 HydrophobicContact CD1-CD1 4.33Å; Y290-I294 HydrophobicContact CD2-CG2 4.11Å; Y290-I294 HydrophobicContact CE1-CD1 3.73Å; Y290-I294 HydrophobicContact CE1-CG2 4.28Å; Y290-I294 HydrophobicContact CE2-CG2 3.56Å; Y290-I294 PolarHBondContact O-N 3.25Å; L291-I294 HydrophobicContact CD2-CD1 4.28Å; L291-I294 PolarHBondContact O-N 3.15Å; I294-K296 PolarHBondContact O-N 2.91Å; I294-K296 VanDerWaalsContact O-N 3.13Å; I294-L297 HydrophobicContact CB-CD1 4.23Å; I294-L297 HydrophobicContact CG2-CD1 4.49Å; I294-L297 VanDerWaalsContact O-CB 3.24Å; I294-L297 WeakPolarHBondContact O-CB 3.44Å; I294-L297 WeakPolarHBondContact O-CG 3.28Å; I294-L297 PolarHBondContact O-N 3.48Å; I294-F300 HydrophobicContact CB-CE1 4.35Å; I294-F300 HydrophobicContact CD1-CD2 4.5Å; I294-F300 HydrophobicContact CD1-CE2 4.17Å; I294-F300 HydrophobicContact CD1-CZ 4.17Å; I294-F300 HydrophobicContact CG1-CE1 4.19Å; I294-F300 HydrophobicContact CG1-CZ 4.05Å; I294-F300 WeakPolarHBondContact O-CE1 3.08Å; I294-L303 HydrophobicContact CB-CD1 3.87Å; I294-L303 HydrophobicContact CD1-CD1 4.01Å; I294-L303 HydrophobicContact CG1-CD1 4.49Å; I294-L303 HydrophobicContact CG2-CD1 3.79Å; I294-L303 HydrophobicContact CG2-CD2 4.08Å; I294-Y311 HydrophobicContact CG2-CD1 4.28Å; I294-Y311 HydrophobicContact CG2-CE1 3.75Å
295A97.9Very high97.1Very high12 Ų1247.5 Ų47.510%0.09926%0.259CS..Hα-helixtrans-57.1-28.8176.500000113.2D176 Y177 L291 L297D176-A295 HydrophobicContact CB-CB 3.62Å; Y177-A295 HydrophobicContact CE2-CB 3.89Å; Y177-A295 PolarHBondContact OH-N 3.3Å; L291-A295 VanDerWaalsContact O-CB 3.28Å; L291-A295 WeakPolarHBondContact O-CB 3.17Å; L291-A295 PolarHBondContact O-N 2.62Å; A295-L297 PolarHBondContact O-N 3.17Å
296K96.6Very high96.8Very high144 Ų14452.1 Ų52.163%0.62627%0.274SS*.THydrogen-bonded Turntrans-67-17.5175.3-57.4171.3-166.6168.90113.2E293 I294E293-K296 IonicContact OE1-NZ 3.4Å; E293-K296 PolarHBondContact OE1-NZ 2.81Å; E293-K296 IonicContact OE2-NZ 2.6Å; E293-K296 PolarHBondContact OE2-NZ 3.4Å; I294-K296 PolarHBondContact O-N 2.91Å; I294-K296 VanDerWaalsContact O-N 3.13Å
297L96.8Very high96.6Very high45 Ų4553.4 Ų53.424%0.23628%0.281CS..SBendtrans-83.7143.3179.3-55176000110.2R138 I294 A295 D299 L303R138-L297 VanDerWaalsContact CZ-O 3.28Å; R138-L297 PolarHBondContact NH2-O 2.93Å; I294-L297 HydrophobicContact CB-CD1 4.23Å; I294-L297 HydrophobicContact CG2-CD1 4.49Å; I294-L297 VanDerWaalsContact O-CB 3.24Å; I294-L297 WeakPolarHBondContact O-CB 3.44Å; I294-L297 WeakPolarHBondContact O-CG 3.28Å; I294-L297 PolarHBondContact O-N 3.48Å; A295-L297 PolarHBondContact O-N 3.17Å; L297-D299 VanDerWaalsContact C-N 3.35Å; L297-L303 HydrophobicContact CD1-CD1 4.18Å; L297-L303 HydrophobicContact CD1-CD2 3.73Å; L297-L303 HydrophobicContact CD1-CG 4.18Å
298E95.3Very high96.5Very high172 Ų17254 Ų5480%0.80428%0.283SS*.SBendtrans-72.2-31.2174.2-66.6-175.9174.500112.7R138R138-E298 PolarHBondContact NH1-O 3.41Å; R138-E298 VanDerWaalsContact NH1-O 3.15Å
299D97.1Very high96.2Very high57 Ų5756.8 Ų56.831%0.30529%0.294SS..  trans-141.4127.1-172.4-165.7-26.7000111.3K246 L297 S301K246-D299 HydrophobicContact CB-CB 4.35Å; K246-D299 WeakPolarHBondContact CB-OD1 3.37Å; K246-D299 WeakPolarHBondContact CD-OD2 3.47Å; K246-D299 WeakPolarHBondContact CE-OD2 3.27Å; K246-D299 WeakPolarHBondContact CG-OD1 3.45Å; K246-D299 WeakPolarHBondContact CG-OD2 3.37Å; K246-D299 IonicContact NZ-OD2 3.67Å; K246-D299 PolarHBondContact NZ-OD2 2.69Å; K246-D299 CarbonylContact O-C 3.48Å; K246-D299 WeakPolarHBondContact O-CA 3.45Å; L297-D299 VanDerWaalsContact C-N 3.35Å; D299-S301 WeakPolarHBondContact OD1-CB 3.46Å; D299-S301 PolarHBondContact OD1-N 3.19Å; D299-S301 PolarHBondContact OD1-OG 3.23Å
300F97.9Very high96Very high1 Ų160.8 Ų60.80%0.00431%0.306CS..SBendtrans-85-8.7179.3-66.5-0.8000113.5R138 Y177 K246 I249 I294 G302 L303R138-F300 HydrophobicContact CB-CZ 4.33Å; R138-F300 HydrophobicContact CG-CZ 4.07Å; Y177-F300 AromaticContact CE1-CE2 3.97Å; Y177-F300 HydrophobicContact CE1-CE2 3.97Å; Y177-F300 AromaticContact CE1-CZ 3.92Å; Y177-F300 HydrophobicContact CE1-CZ 3.92Å; K246-F300 WeakPolarHBondContact O-CB 2.95Å; K246-F300 WeakPolarHBondContact O-CG 3.48Å; K246-F300 PolarHBondContact O-N 2.82Å; I249-F300 HydrophobicContact CB-CD2 4.35Å; I249-F300 HydrophobicContact CB-CE2 4.31Å; I249-F300 HydrophobicContact CG2-CE2 4.35Å; I294-F300 HydrophobicContact CB-CE1 4.35Å; I294-F300 HydrophobicContact CD1-CD2 4.5Å; I294-F300 HydrophobicContact CD1-CE2 4.17Å; I294-F300 HydrophobicContact CD1-CZ 4.17Å; I294-F300 HydrophobicContact CG1-CE1 4.19Å; I294-F300 HydrophobicContact CG1-CZ 4.05Å; I294-F300 WeakPolarHBondContact O-CE1 3.08Å; F300-G302 PolarHBondContact O-N 2.82Å; F300-L303 HydrophobicContact CB-CD1 3.91Å; F300-L303 HydrophobicContact CD1-CD1 4.09Å; F300-L303 HydrophobicContact CG-CD1 4.02Å; F300-L303 WeakPolarHBondContact O-CB 3.36Å; F300-L303 PolarHBondContact O-N 3.39Å
301S94.4Very high95.8Very high50 Ų5063.1 Ų63.135%0.3532%0.315SS..THydrogen-bonded Turntrans-61.7-21.2-173.4-52.30000113.7Q263 D299Q263-S301 PolarHBondContact NE2-O 3.35Å; D299-S301 WeakPolarHBondContact OD1-CB 3.46Å; D299-S301 PolarHBondContact OD1-N 3.19Å; D299-S301 PolarHBondContact OD1-OG 3.23Å
302G93.4Very high95.4Very high79 Ų7963.6 Ų63.681%0.81432%0.318SS*.THydrogen-bonded Turntrans-88.1-3.1176.800000115F300F300-G302 PolarHBondContact O-N 2.82Å
303L95.3Very high94.9Very high14 Ų1463.3 Ų63.37%0.07332%0.324CS..  trans-79.5151-177.8-65171.6000111.2Q263 I294 L297 F300 Y311Q263-L303 PolarHBondContact NE2-O 2.97Å; I294-L303 HydrophobicContact CB-CD1 3.87Å; I294-L303 HydrophobicContact CD1-CD1 4.01Å; I294-L303 HydrophobicContact CG1-CD1 4.49Å; I294-L303 HydrophobicContact CG2-CD1 3.79Å; I294-L303 HydrophobicContact CG2-CD2 4.08Å; L297-L303 HydrophobicContact CD1-CD1 4.18Å; L297-L303 HydrophobicContact CD1-CD2 3.73Å; L297-L303 HydrophobicContact CD1-CG 4.18Å; F300-L303 HydrophobicContact CB-CD1 3.91Å; F300-L303 HydrophobicContact CD1-CD1 4.09Å; F300-L303 HydrophobicContact CG-CD1 4.02Å; F300-L303 WeakPolarHBondContact O-CB 3.36Å; F300-L303 PolarHBondContact O-N 3.39Å; L303-Y311 HydrophobicContact CD2-CD2 4.3Å; L303-Y311 HydrophobicContact CD2-CE2 3.99Å
304N94.9Very high94.5Very high89 Ų8966.6 Ų66.648%0.47634%0.337SS..  trans-116.996.7165.7-176-15.2000108.7K306 H307N304-K306 PolarHBondContact O-N 2.68Å; N304-K306 WeakPolarHBondContact OD1-CB 3.44Å; N304-K306 PolarHBondContact OD1-N 3.4Å; N304-K306 VanDerWaalsContact OD1-N 3.13Å; N304-H307 PolarHBondContact ND2-CD2 3.3Å; N304-H307 PolarHBondContact O-N 2.82Å
305H95.4Very high93.8Very high10 Ų1072.2 Ų72.25%0.04636%0.359CS..G310 helixtrans-64.5-20.3-175.9-62.6-39.4000113.6I249 Q263 G265 L266 Y290 H307 W308I249-H305 VanDerWaalsContact CD1-CE1 3.48Å; I249-H305 WeakPolarHBondContact CD1-CE1 3.45Å; Q263-H305 PolarHBondContact O-CD2 2.86Å; Q263-H305 PolarHBondContact O-NE2 2.87Å; G265-H305 WeakPolarHBondContact O-CB 3.32Å; L266-H305 HydrophobicContact CB-CB 3.93Å; L266-H305 HydrophobicContact CD1-CB 4.29Å; L266-H305 HydrophobicContact CG-CB 4.2Å; Y290-H305 AromaticContact CZ-ND1 3.85Å; Y290-H305 PolarHBondContact OH-CE1 3.24Å; Y290-H305 PolarHBondContact OH-ND1 2.74Å; H305-H307 PolarHBondContact O-N 3.27Å; H305-W308 PolarHBondContact O-N 3.39Å
306K92.1Very high92.8Very high136 Ų13677.3 Ų77.359%0.59138%0.38SS*.G310 helixtrans-64.3-21.6172.4-62.6179.8175.41740112.8E102 N304E102-K306 IonicContact OE1-NZ 2.89Å; E102-K306 PolarHBondContact OE1-NZ 3.43Å; N304-K306 PolarHBondContact O-N 2.68Å; N304-K306 WeakPolarHBondContact OD1-CB 3.44Å; N304-K306 PolarHBondContact OD1-N 3.4Å; N304-K306 VanDerWaalsContact OD1-N 3.13Å
307H93.4Very high91.3Very high106 Ų10678 Ų7849%0.49139%0.386SS..G310 helixtrans-121.231.1-177.9-57.7-43.2000112N304 H305 E309 R310 Y311N304-H307 PolarHBondContact ND2-CD2 3.3Å; N304-H307 PolarHBondContact O-N 2.82Å; H305-H307 PolarHBondContact O-N 3.27Å; H307-E309 PolarHBondContact O-N 2.6Å; H307-R310 HydrophobicContact CB-CB 4.35Å; H307-R310 WeakPolarHBondContact O-CB 3.37Å; H307-R310 PolarHBondContact O-N 3.28Å; H307-Y311 PolarHBondContact O-N 3.11Å
308W96.3Very high89Confident13 Ų1386.5 Ų86.55%0.04942%0.424CS..Hα-helixtrans-55.9-37.6-179.571.8-93.9000112.7L266 K286 L287 Y290 H305 R310 Y311 L312L266-W308 HydrophobicContact CD1-CB 3.86Å; L266-W308 HydrophobicContact CD1-CD2 4.38Å; L266-W308 HydrophobicContact CD1-CG 3.72Å; K286-W308 HydrophobicContact CB-CH2 3.51Å; K286-W308 HydrophobicContact CB-CZ3 3.74Å; K286-W308 HydrophobicContact CD-CH2 4.02Å; K286-W308 HydrophobicContact CG-CH2 4.48Å; L287-W308 HydrophobicContact CD2-CD2 3.91Å; L287-W308 HydrophobicContact CD2-CE3 3.99Å; L287-W308 HydrophobicContact CD2-CH2 3.93Å; L287-W308 HydrophobicContact CD2-CZ2 3.85Å; L287-W308 HydrophobicContact CD2-CZ3 4Å; L287-W308 HydrophobicContact CG-CH2 4.02Å; L287-W308 HydrophobicContact CG-CZ2 4.17Å; L287-W308 HydrophobicContact CG-CZ3 4.36Å; Y290-W308 HydrophobicContact CD1-CB 4.14Å; Y290-W308 HydrophobicContact CD1-CE3 4.48Å; Y290-W308 HydrophobicContact CD2-CB 3.89Å; Y290-W308 HydrophobicContact CD2-CE3 4.27Å; Y290-W308 HydrophobicContact CE1-CB 3.91Å; Y290-W308 HydrophobicContact CE2-CB 3.65Å; Y290-W308 HydrophobicContact CG-CB 4.14Å; Y290-W308 AromaticContact CG-CE3 3.94Å; Y290-W308 HydrophobicContact CG-CE3 3.94Å; H305-W308 PolarHBondContact O-N 3.39Å; W308-R310 VanDerWaalsContact C-N 3.34Å; W308-R310 PolarHBondContact O-N 3.19Å; W308-Y311 WeakPolarHBondContact O-CB 3.45Å; W308-Y311 PolarHBondContact O-N 3.25Å; W308-L312 HydrophobicContact CZ3-CD2 4.48Å; W308-L312 PolarHBondContact O-N 2.82Å
309E94.4Very high88.6Confident68 Ų6882.3 Ų82.332%0.31841%0.405SS..Hα-helixtrans-61-42.4176.2-63.8-174.8104.500111.3R269 K286 H307 Y311 L312 S313R269-E309 IonicContact NH2-OE2 2.68Å; R269-E309 PolarHBondContact NH2-OE2 2.88Å; K286-E309 IonicContact NZ-OE1 3.15Å; K286-E309 PolarHBondContact NZ-OE1 3.4Å; H307-E309 PolarHBondContact O-N 2.6Å; E309-Y311 VanDerWaalsContact C-N 3.35Å; E309-Y311 PolarHBondContact O-N 2.91Å; E309-L312 PolarHBondContact O-N 2.83Å; E309-S313 PolarHBondContact O-N 2.81Å; E309-S313 PolarHBondContact O-OG 2.89Å; E309-S313 VanDerWaalsContact O-OG 3.07Å
310R93.9Very high88.2Confident165 Ų16583.6 Ų83.662%0.62341%0.41SS*.Hα-helixtrans-67.1-37.1177.1-174.3-179-178.1-171.90.9111.7H307 W308 L312 K314H307-R310 HydrophobicContact CB-CB 4.35Å; H307-R310 WeakPolarHBondContact O-CB 3.37Å; H307-R310 PolarHBondContact O-N 3.28Å; W308-R310 VanDerWaalsContact C-N 3.34Å; W308-R310 PolarHBondContact O-N 3.19Å; R310-L312 VanDerWaalsContact C-N 3.34Å; R310-K314 WeakPolarHBondContact O-CG 3.48Å; R310-K314 PolarHBondContact O-N 3.06Å
311Y92.7Very high87.7Confident51 Ų5188.2 Ų88.220%0.243%0.433CS..Hα-helixtrans-60.3-47.3174.1179.2-89.6000110.4Y290 E293 I294 L303 H307 W308 E309 K314 R315Y290-Y311 AromaticContact CD2-CD1 3.95Å; Y290-Y311 HydrophobicContact CD2-CD1 3.95Å; Y290-Y311 AromaticContact CE2-CD1 3.66Å; Y290-Y311 HydrophobicContact CE2-CD1 3.66Å; Y290-Y311 HydrophobicContact CE2-CE1 4.36Å; Y290-Y311 HydrophobicContact CE2-CG 4.14Å; E293-Y311 HydrophobicContact CB-CE1 4.08Å; I294-Y311 HydrophobicContact CG2-CD1 4.28Å; I294-Y311 HydrophobicContact CG2-CE1 3.75Å; L303-Y311 HydrophobicContact CD2-CD2 4.3Å; L303-Y311 HydrophobicContact CD2-CE2 3.99Å; H307-Y311 PolarHBondContact O-N 3.11Å; W308-Y311 WeakPolarHBondContact O-CB 3.45Å; W308-Y311 PolarHBondContact O-N 3.25Å; E309-Y311 VanDerWaalsContact C-N 3.35Å; E309-Y311 PolarHBondContact O-N 2.91Å; Y311-K314 PolarHBondContact O-N 2.96Å; Y311-R315 HydrophobicContact CD1-CG 4.43Å; Y311-R315 HydrophobicContact CE1-CG 4.02Å; Y311-R315 PolarHBondContact O-N 2.86Å; Y311-R315 PolarHBondContact OH-NE 3.04Å; Y311-R315 PolarHBondContact OH-NH2 2.79Å
312L90.4Very high87.3Confident11 Ų1190.4 Ų90.46%0.05844%0.438CS..Hα-helixtrans-62.8-46.3179.2-172.464.4000112Q289 E293 W308 E309 R310 K314 R315 Q316Q289-L312 HydrophobicContact CB-CD1 3.93Å; Q289-L312 HydrophobicContact CB-CD2 4.01Å; E293-L312 HydrophobicContact CG-CD1 4.03Å; W308-L312 HydrophobicContact CZ3-CD2 4.48Å; W308-L312 PolarHBondContact O-N 2.82Å; E309-L312 PolarHBondContact O-N 2.83Å; R310-L312 VanDerWaalsContact C-N 3.34Å; L312-K314 VanDerWaalsContact C-N 3.28Å; L312-K314 PolarHBondContact O-N 3.17Å; L312-R315 PolarHBondContact O-N 3.29Å; L312-R315 VanDerWaalsContact O-N 3.08Å; L312-Q316 WeakPolarHBondContact O-CG 3.33Å; L312-Q316 PolarHBondContact O-N 2.75Å; L312-Q316 VanDerWaalsContact O-N 3.08Å
313S89.3Confident86.9Confident61 Ų6191.1 Ų91.143%0.42741%0.414SS..Hα-helixtrans-58.9-37.7178.4-56.60000113.1E309 R315 Q317E309-S313 PolarHBondContact O-N 2.81Å; E309-S313 PolarHBondContact O-OG 2.89Å; E309-S313 VanDerWaalsContact O-OG 3.07Å; S313-R315 VanDerWaalsContact C-N 3.35Å; S313-Q317 WeakPolarHBondContact O-CG 2.74Å; S313-Q317 PolarHBondContact O-N 3.4Å
314K88.4Confident86.3Confident114 Ų11496.3 Ų96.350%0.49644%0.437SS..Hα-helixtrans-67.6-34.5177-75-178.6177.5-173.40112.7R310 Y311 L312 H318R310-K314 WeakPolarHBondContact O-CG 3.48Å; R310-K314 PolarHBondContact O-N 3.06Å; Y311-K314 PolarHBondContact O-N 2.96Å; L312-K314 VanDerWaalsContact C-N 3.28Å; L312-K314 PolarHBondContact O-N 3.17Å; K314-H318 PolarHBondContact O-CD2 3.33Å
315R84.4Confident85.7Confident119 Ų11996.8 Ų96.845%0.44943%0.434SS..Hα-helixtrans-75.2-29.6179.2-72-71.7-170.6170.64.5112.6E293 Y311 L312 S313 Q317 H318E293-R315 HydrophobicContact CG-CB 4.47Å; Y311-R315 HydrophobicContact CD1-CG 4.43Å; Y311-R315 HydrophobicContact CE1-CG 4.02Å; Y311-R315 PolarHBondContact O-N 2.86Å; Y311-R315 PolarHBondContact OH-NE 3.04Å; Y311-R315 PolarHBondContact OH-NH2 2.79Å; L312-R315 PolarHBondContact O-N 3.29Å; L312-R315 VanDerWaalsContact O-N 3.08Å; S313-R315 VanDerWaalsContact C-N 3.35Å; R315-Q317 VanDerWaalsContact C-N 3.32Å; R315-H318 VanDerWaalsContact O-OXT 3.08Å
316Q76.3Confident85Confident118 Ų118103.5 Ų103.555%0.55146%0.464SS*.Hα-helixtrans-79.5-13177.8-69.7176.1-10.800113.8L312 H318L312-Q316 WeakPolarHBondContact O-CG 3.33Å; L312-Q316 PolarHBondContact O-N 2.75Å; L312-Q316 VanDerWaalsContact O-N 3.08Å; Q316-H318 VanDerWaalsContact C-N 3.34Å
317Q66.1Low84.4Confident159 Ų159100.8 Ų100.874%0.74345%0.453SS*.THydrogen-bonded Turntrans-86.8-5.3175.6-73.4176.60.900113.4S313 R315S313-Q317 WeakPolarHBondContact O-CG 2.74Å; S313-Q317 PolarHBondContact O-N 3.4Å; R315-Q317 VanDerWaalsContact C-N 3.32Å
318H46.6Very low83.5Confident224 Ų224100.3 Ų100.3100%1.03745%0.45SS*.  trans-122.50180-71.9-59.9000110.2K314 R315 Q316K314-H318 PolarHBondContact O-CD2 3.33Å; R315-H318 VanDerWaalsContact O-OXT 3.08Å; Q316-H318 VanDerWaalsContact C-N 3.34Å

Retrieved 318 of 318 residues in 143.3 ms (Link to these results)

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