A0A087X6G3_POEFO Loading...

Neurotrophin receptor associated death domain

AlphaFold DB , UniProt , Accession A0A087X6G3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 399 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
1M56.8Low59.9Low198 Ų198116 Ų11698%0.97560%0.604SS**  0-50.30-65.3177.3-168.900112.7L3 I4 V5M1-L3 PolarHBondContact O-N 3.16Å; M1-I4 PolarHBondContact O-N 3.08Å; M1-V5 WeakPolarHBondContact O-CG2 3.49Å; M1-V5 PolarHBondContact O-N 3.43Å; M1-V5 VanDerWaalsContact O-N 3.17Å
2R58.3Low59.4Low221 Ų221115.7 Ų115.783%0.83460%0.602SS**Hα-helixtrans-60.2-40.4179.8-68.3-176.8176.7174.6-1.3115.2I4 V5 I6R2-I4 PolarHBondContact O-N 2.99Å; R2-V5 PolarHBondContact O-N 2.94Å; R2-I6 WeakPolarHBondContact O-CD1 3.42Å; R2-I6 VanDerWaalsContact O-CG1 3.26Å; R2-I6 WeakPolarHBondContact O-CG1 3.2Å; R2-I6 PolarHBondContact O-N 2.68Å; R2-I6 VanDerWaalsContact O-N 3.07Å
3L55.8Low58.7Low149 Ų149118.8 Ų118.878%0.7861%0.608SS**Hα-helixtrans-66-35.4176.2-95.497.5000113.5M1 I6 S7M1-L3 PolarHBondContact O-N 3.16Å; L3-I6 PolarHBondContact O-N 2.76Å; L3-S7 WeakPolarHBondContact O-CB 3.28Å; L3-S7 PolarHBondContact O-N 2.92Å; L3-S7 PolarHBondContact O-OG 2.81Å
4I63.9Low58.3Low119 Ų119118.2 Ų118.261%0.6161%0.613SS**Hα-helixtrans-71.6-35.8-179.5-57.3172.9000110.3M1 R2 S7 A8M1-I4 PolarHBondContact O-N 3.08Å; R2-I4 PolarHBondContact O-N 2.99Å; I4-S7 WeakPolarHBondContact CA-OG 3.3Å; I4-S7 PolarHBondContact O-OG 3.33Å; I4-A8 WeakPolarHBondContact O-CB 3.49Å; I4-A8 PolarHBondContact O-N 2.95Å
5V65.1Low57.8Low90 Ų90117.7 Ų117.755%0.54562%0.617SS.*Hα-helixtrans-68.7-40.6174.4176.90000110.7M1 R2 A8 V9M1-V5 WeakPolarHBondContact O-CG2 3.49Å; M1-V5 PolarHBondContact O-N 3.43Å; M1-V5 VanDerWaalsContact O-N 3.17Å; R2-V5 PolarHBondContact O-N 2.94Å; V5-A8 PolarHBondContact O-N 2.87Å; V5-V9 HydrophobicContact CG1-CG2 4.31Å; V5-V9 WeakPolarHBondContact O-CB 3.06Å; V5-V9 WeakPolarHBondContact O-CG2 3.4Å; V5-V9 PolarHBondContact O-N 3.47Å
6I64.6Low57.3Low101 Ų101118.6 Ų118.652%0.51862%0.622SS.*Hα-helixtrans-67.3-41.5176.6-64.8162.6000110.9R2 L3 V9 L10R2-I6 WeakPolarHBondContact O-CD1 3.42Å; R2-I6 VanDerWaalsContact O-CG1 3.26Å; R2-I6 WeakPolarHBondContact O-CG1 3.2Å; R2-I6 PolarHBondContact O-N 2.68Å; R2-I6 VanDerWaalsContact O-N 3.07Å; L3-I6 PolarHBondContact O-N 2.76Å; I6-V9 PolarHBondContact O-N 3.15Å; I6-L10 HydrophobicContact CG2-CD1 3.84Å; I6-L10 HydrophobicContact CG2-CG 4.49Å; I6-L10 WeakPolarHBondContact O-CB 3.34Å; I6-L10 VanDerWaalsContact O-CG 3.32Å; I6-L10 WeakPolarHBondContact O-CG 3.1Å; I6-L10 PolarHBondContact O-N 2.7Å
7S60Low56.9Low56 Ų56114.7 Ų114.739%0.39262%0.617SS.*Hα-helixtrans-66.6-39174.964.10000112L3 I4 L10 L11L3-S7 WeakPolarHBondContact O-CB 3.28Å; L3-S7 PolarHBondContact O-N 2.92Å; L3-S7 PolarHBondContact O-OG 2.81Å; I4-S7 WeakPolarHBondContact CA-OG 3.3Å; I4-S7 PolarHBondContact O-OG 3.33Å; S7-L10 PolarHBondContact O-N 3.11Å; S7-L11 VanDerWaalsContact O-CB 3.27Å; S7-L11 WeakPolarHBondContact O-CB 3.43Å; S7-L11 WeakPolarHBondContact O-CD1 3.26Å; S7-L11 WeakPolarHBondContact O-CG 3.04Å; S7-L11 PolarHBondContact O-N 3.01Å
8A60.7Low56.9Low44 Ų44118.7 Ų118.736%0.36463%0.627SS.*Hα-helixtrans-67.6-37.5175.700000112.2I4 V5 L11 L12I4-A8 WeakPolarHBondContact O-CB 3.49Å; I4-A8 PolarHBondContact O-N 2.95Å; V5-A8 PolarHBondContact O-N 2.87Å; A8-L11 PolarHBondContact O-N 2.87Å; A8-L12 WeakPolarHBondContact O-CB 3.36Å; A8-L12 PolarHBondContact O-N 3.2Å
9V60.2Low57.5Low76 Ų76118.5 Ų118.546%0.46164%0.637SS.*Hα-helixtrans-71.5-37.4175.4170.40000111.5V5 I6 L12 K13V5-V9 HydrophobicContact CG1-CG2 4.31Å; V5-V9 WeakPolarHBondContact O-CB 3.06Å; V5-V9 WeakPolarHBondContact O-CG2 3.4Å; V5-V9 PolarHBondContact O-N 3.47Å; I6-V9 PolarHBondContact O-N 3.15Å; V9-L12 PolarHBondContact O-N 2.88Å; V9-K13 HydrophobicContact CG1-CG 4.48Å; V9-K13 WeakPolarHBondContact O-CB 3.26Å; V9-K13 WeakPolarHBondContact O-CG 3.23Å; V9-K13 PolarHBondContact O-N 2.93Å
10L57.5Low58.7Low107 Ų107113.5 Ų113.556%0.5661%0.611SS**Hα-helixtrans-66.5-42.1172-78.5163.9000111.3I6 S7 K13 V14I6-L10 HydrophobicContact CG2-CD1 3.84Å; I6-L10 HydrophobicContact CG2-CG 4.49Å; I6-L10 WeakPolarHBondContact O-CB 3.34Å; I6-L10 VanDerWaalsContact O-CG 3.32Å; I6-L10 WeakPolarHBondContact O-CG 3.1Å; I6-L10 PolarHBondContact O-N 2.7Å; S7-L10 PolarHBondContact O-N 3.11Å; L10-K13 PolarHBondContact O-N 2.99Å; L10-V14 WeakPolarHBondContact O-CB 3.46Å; L10-V14 WeakPolarHBondContact O-CG2 3.09Å; L10-V14 PolarHBondContact O-N 2.86Å
11L56.5Low59.8Low115 Ų115112.5 Ų112.560%0.60262%0.619SS**Hα-helixtrans-63.6-41173-74.6163.2000111.2S7 A8 V14 T15S7-L11 VanDerWaalsContact O-CB 3.27Å; S7-L11 WeakPolarHBondContact O-CB 3.43Å; S7-L11 WeakPolarHBondContact O-CD1 3.26Å; S7-L11 WeakPolarHBondContact O-CG 3.04Å; S7-L11 PolarHBondContact O-N 3.01Å; A8-L11 PolarHBondContact O-N 2.87Å; L11-V14 PolarHBondContact O-N 3.28Å; L11-T15 WeakPolarHBondContact O-CG2 3.44Å; L11-T15 PolarHBondContact O-N 2.04Å; L11-T15 PolarHBondContact O-OG1 2.76Å; L11-T15 VanDerWaalsContact O-OG1 3.1Å
12L53.2Low61Low112 Ų112104 Ų10459%0.58658%0.579SS**Hα-helixtrans-63-42173.9-116.2105.7000112.3A8 V9 V14 T15 L16A8-L12 WeakPolarHBondContact O-CB 3.36Å; A8-L12 PolarHBondContact O-N 3.2Å; V9-L12 PolarHBondContact O-N 2.88Å; L12-V14 VanDerWaalsContact C-N 3.33Å; L12-T15 VanDerWaalsContact CA-OG1 3.31Å; L12-T15 WeakPolarHBondContact CA-OG1 3Å; L12-T15 PolarHBondContact O-N 3.25Å; L12-T15 PolarHBondContact O-OG1 2.88Å; L12-L16 WeakPolarHBondContact O-CD1 3.08Å; L12-L16 PolarHBondContact O-N 3.46Å
13K50.7Low62.3Low157 Ų15796.3 Ų96.368%0.68357%0.568SS**Hα-helixtrans-67.3-33.7176.5-73.3-112.8177.7175.90112.1V9 L10 G17V9-K13 HydrophobicContact CG1-CG 4.48Å; V9-K13 WeakPolarHBondContact O-CB 3.26Å; V9-K13 WeakPolarHBondContact O-CG 3.23Å; V9-K13 PolarHBondContact O-N 2.93Å; L10-K13 PolarHBondContact O-N 2.99Å; K13-G17 PolarHBondContact O-N 3.48Å
14V52.6Low63.7Low110 Ų11094.8 Ų94.867%0.66756%0.555SS**Hα-helixtrans-74-34.8175170.90000111.3L10 L11 L12 L16 G17L10-V14 WeakPolarHBondContact O-CB 3.46Å; L10-V14 WeakPolarHBondContact O-CG2 3.09Å; L10-V14 PolarHBondContact O-N 2.86Å; L11-V14 PolarHBondContact O-N 3.28Å; L12-V14 VanDerWaalsContact C-N 3.33Å; V14-L16 VanDerWaalsContact C-N 3.34Å; V14-G17 PolarHBondContact O-N 3.28Å
15T50.8Low64.8Low111 Ų11194.9 Ų94.968%0.68155%0.549SS*.Hα-helixtrans-74.4-20.5173.253.40000113.9L11 L12L11-T15 WeakPolarHBondContact O-CG2 3.44Å; L11-T15 PolarHBondContact O-N 2.04Å; L11-T15 PolarHBondContact O-OG1 2.76Å; L11-T15 VanDerWaalsContact O-OG1 3.1Å; L12-T15 VanDerWaalsContact CA-OG1 3.31Å; L12-T15 WeakPolarHBondContact CA-OG1 3Å; L12-T15 PolarHBondContact O-N 3.25Å; L12-T15 PolarHBondContact O-OG1 2.88Å
16L49.9Very low65.9Low132 Ų13291.1 Ų91.169%0.69153%0.526SS*.THydrogen-bonded Turntrans-88.3-6.5171.6-96.875000113.1L12 V14 K18L12-L16 WeakPolarHBondContact O-CD1 3.08Å; L12-L16 PolarHBondContact O-N 3.46Å; V14-L16 VanDerWaalsContact C-N 3.34Å; L16-K18 VanDerWaalsContact C-N 3.34Å; L16-K18 PolarHBondContact O-N 3.41Å
17G50.5Low66.9Low52 Ų5293.4 Ų93.454%0.53654%0.535SS..THydrogen-bonded Turntrans-83.670.9-177.400000113K13 V14K13-G17 PolarHBondContact O-N 3.48Å; V14-G17 PolarHBondContact O-N 3.28Å
18K58Low68.1Low186 Ų18694.3 Ų94.381%0.80954%0.541SS*.THydrogen-bonded Turntrans128.463.8165.3-73.8169.5172.7166.40112.2L16 C20 Y25L16-K18 VanDerWaalsContact C-N 3.34Å; L16-K18 PolarHBondContact O-N 3.41Å; K18-C20 PolarHBondContact O-N 3.26Å; K18-Y25 PolarHBondContact O-OH 2.69Å
19S67.1Low69.2Low115 Ų11594.8 Ų94.880%0.80455%0.55SS**  trans-67.1102.3158.756.20000108.5A21S19-A21 PolarHBondContact O-N 2.89Å
20C81.7Confident70.5Confident19 Ų1997.1 Ų97.113%0.12856%0.555CS.*  trans-71.6117.9174.5179.40000109.7K18 S22 G23 K24 Y25 C31K18-C20 PolarHBondContact O-N 3.26Å; C20-S22 PolarHBondContact O-N 2.72Å; C20-S22 PolarHBondContact SG-OG 3.38Å; C20-G23 PolarHBondContact O-N 2.89Å; C20-K24 PolarHBondContact SG-O 3.41Å; C20-Y25 HydrophobicContact CB-CE1 3.64Å; C20-Y25 HydrophobicContact CB-CE2 4.15Å; C20-Y25 VanDerWaalsContact CB-CZ 3.4Å; C20-Y25 WeakPolarHBondContact CB-OH 3.5Å; C20-C31 WeakPolarHBondContact CA-SG 3.35Å; C20-C31 HydrophobicContact CB-CB 3.82Å; C20-C31 WeakPolarHBondContact CB-SG 3.36Å; C20-C31 VanDerWaalsContact SG-CA 3.55Å; C20-C31 WeakPolarHBondContact SG-CB 3.32Å; C20-C31 CovalentContact SG-SG 2.03Å; C20-C31 PolarHBondContact SG-SG 3.48Å
21A82.3Confident72Confident93 Ų9394.3 Ų94.377%0.76955%0.545SS*.THydrogen-bonded Turntrans-60.2-30.5-177.300000112.9S19 L34S19-A21 PolarHBondContact O-N 2.89Å; A21-L34 HydrophobicContact CB-CD1 4.3Å
22S82.3Confident73.6Confident20 Ų2089 Ų8914%0.1452%0.517CS..THydrogen-bonded Turntrans-83-11.2177.763.80000114.5C20 K24 C32 L34C20-S22 PolarHBondContact O-N 2.72Å; C20-S22 PolarHBondContact SG-OG 3.38Å; S22-K24 PolarHBondContact O-N 3.42Å; S22-K24 PolarHBondContact OG-O 3.01Å; S22-C32 VanDerWaalsContact CB-O 3.23Å; S22-C32 WeakPolarHBondContact CB-O 3.28Å; S22-C32 PolarHBondContact OG-O 2.82Å; S22-L34 VanDerWaalsContact CB-CD2 3.44Å
23G84.2Confident75.4Confident59 Ų5988.2 Ų88.261%0.60851%0.513SS*.SBendtrans64.34.6-175.600000115C20C20-G23 PolarHBondContact O-N 2.89Å
24K85.6Confident77.4Confident116 Ų11683 Ų8350%0.50449%0.493SS..  trans-122.5151-179.2-65.4-166.2-175.6178.60111.3C20 S22 C32 L66C20-K24 PolarHBondContact SG-O 3.41Å; S22-K24 PolarHBondContact O-N 3.42Å; S22-K24 PolarHBondContact OG-O 3.01Å; K24-C32 HydrophobicContact CB-CB 4.09Å; K24-C32 VanDerWaalsContact CB-SG 3.53Å; K24-C32 PolarHBondContact O-N 2.97Å; K24-C32 PolarHBondContact O-SG 3.42Å; K24-L66 HydrophobicContact CB-CD1 4.44Å; K24-L66 HydrophobicContact CD-CD1 3.8Å; K24-L66 HydrophobicContact CG-CD1 4.22Å
25Y87.4Confident79.4Confident122 Ų12277.9 Ų77.948%0.47846%0.462SS..BIsolated β-bridgetrans-129.8149.2179.8-60.8-90.6000111K18 C20 H30 C31 C32K18-Y25 PolarHBondContact O-OH 2.69Å; C20-Y25 HydrophobicContact CB-CE1 3.64Å; C20-Y25 HydrophobicContact CB-CE2 4.15Å; C20-Y25 VanDerWaalsContact CB-CZ 3.4Å; C20-Y25 WeakPolarHBondContact CB-OH 3.5Å; Y25-H30 CarbonylContact C-O 3.58Å; Y25-H30 WeakPolarHBondContact CA-O 3.23Å; Y25-C31 HydrophobicContact CD1-CB 4.47Å; Y25-C31 HydrophobicContact CE1-CB 4.37Å; Y25-C32 VanDerWaalsContact C-SG 3.55Å; Y25-C32 PolarHBondContact N-SG 2.92Å; Y25-C32 VanDerWaalsContact N-SG 3.44Å
26T87.9Confident81.6Confident10 Ų1075.8 Ų75.86%0.06145%0.45CS..  trans-69.4163.1168.961.60000110.7S28 G29 H30 C45 G46T26-S28 WeakPolarHBondContact CB-OG 3.18Å; T26-S28 PolarHBondContact O-N 3.35Å; T26-S28 VanDerWaalsContact O-N 3.15Å; T26-S28 PolarHBondContact OG1-OG 3.49Å; T26-G29 PolarHBondContact O-N 3.06Å; T26-G29 PolarHBondContact OG1-N 3.43Å; T26-H30 HydrophobicContact CG2-CB 4.48Å; T26-H30 PolarHBondContact N-O 3.48Å; T26-H30 WeakPolarHBondContact OG1-CB 3.36Å; T26-H30 PolarHBondContact OG1-N 3.25Å; T26-H30 PolarHBondContact OG1-O 3.49Å; T26-C45 WeakPolarHBondContact CG2-SG 3.44Å; T26-G46 CarbonylContact C-O 3.46Å; T26-G46 WeakPolarHBondContact CA-O 3.42Å; T26-G46 WeakPolarHBondContact CB-O 3.03Å
27E86.9Confident83.8Confident150 Ų15073 Ų7370%0.70144%0.438SS*.THydrogen-bonded Turntrans-58.7-25.3172.2-67.6-178.9-168.200112.5G29 G46 K47E27-G29 VanDerWaalsContact C-N 3.32Å; E27-G46 PolarHBondContact N-O 2.87Å; E27-K47 WeakPolarHBondContact OE2-CG 2.98Å
28S84.4Confident85.9Confident75 Ų7570.9 Ų70.952%0.52442%0.416SS..THydrogen-bonded Turntrans-82-1.1174.245.50000114.5T26 H30T26-S28 WeakPolarHBondContact CB-OG 3.18Å; T26-S28 PolarHBondContact O-N 3.35Å; T26-S28 VanDerWaalsContact O-N 3.15Å; T26-S28 PolarHBondContact OG1-OG 3.49Å; S28-H30 PolarHBondContact OG-CD2 2.99Å
29G83.6Confident87.7Confident54 Ų5467 Ų6756%0.55740%0.397SS*.SBendtrans81.515.7177.300000115T26 E27T26-G29 PolarHBondContact O-N 3.06Å; T26-G29 PolarHBondContact OG1-N 3.43Å; E27-G29 VanDerWaalsContact C-N 3.32Å
30H87.1Confident89Confident124 Ų12461.6 Ų61.657%0.57436%0.359SS*.PPolyproline II helixtrans-88.1147.3172.9-60.9-66.7000110.7Y25 T26 S28Y25-H30 CarbonylContact C-O 3.58Å; Y25-H30 WeakPolarHBondContact CA-O 3.23Å; T26-H30 HydrophobicContact CG2-CB 4.48Å; T26-H30 PolarHBondContact N-O 3.48Å; T26-H30 WeakPolarHBondContact OG1-CB 3.36Å; T26-H30 PolarHBondContact OG1-N 3.25Å; T26-H30 PolarHBondContact OG1-O 3.49Å; S28-H30 PolarHBondContact OG-CD2 2.99Å
31C88.9Confident89.6Confident49 Ų4961 Ų6133%0.33135%0.354SS..BIsolated β-bridgetrans-69.6135.3176.21770000109.9C20 Y25C20-C31 WeakPolarHBondContact CA-SG 3.35Å; C20-C31 HydrophobicContact CB-CB 3.82Å; C20-C31 WeakPolarHBondContact CB-SG 3.36Å; C20-C31 VanDerWaalsContact SG-CA 3.55Å; C20-C31 WeakPolarHBondContact SG-CB 3.32Å; C20-C31 CovalentContact SG-SG 2.03Å; C20-C31 PolarHBondContact SG-SG 3.48Å; Y25-C31 HydrophobicContact CD1-CB 4.47Å; Y25-C31 HydrophobicContact CE1-CB 4.37Å
32C91Very high90.1Very high3 Ų361.4 Ų61.42%0.0234%0.34CS..PPolyproline II helixtrans-69.6134.4177.5-57.90000110.2S22 K24 Y25 C45 N49S22-C32 VanDerWaalsContact CB-O 3.23Å; S22-C32 WeakPolarHBondContact CB-O 3.28Å; S22-C32 PolarHBondContact OG-O 2.82Å; K24-C32 HydrophobicContact CB-CB 4.09Å; K24-C32 VanDerWaalsContact CB-SG 3.53Å; K24-C32 PolarHBondContact O-N 2.97Å; K24-C32 PolarHBondContact O-SG 3.42Å; Y25-C32 VanDerWaalsContact C-SG 3.55Å; Y25-C32 PolarHBondContact N-SG 2.92Å; Y25-C32 VanDerWaalsContact N-SG 3.44Å; C32-C45 HydrophobicContact CB-CB 3.54Å; C32-C45 WeakPolarHBondContact CB-SG 3.38Å; C32-C45 WeakPolarHBondContact SG-CB 3.42Å; C32-C45 CovalentContact SG-SG 2.02Å; C32-C45 PolarHBondContact SG-SG 2.82Å; C32-N49 WeakPolarHBondContact CA-OD1 3.38Å
33N91.4Very high90.6Very high95 Ų9564.9 Ų64.951%0.50835%0.354SS..PPolyproline II helixtrans-71.5141.1175.4-66-16.1000109.9N49 T50 L66N33-N49 VanDerWaalsContact CG-ND2 3.33Å; N33-N49 PolarHBondContact N-OD1 3.25Å; N33-N49 PolarHBondContact ND2-ND2 3.07Å; N33-N49 PolarHBondContact OD1-ND2 3.43Å; N33-T50 WeakPolarHBondContact O-CB 3.26Å; N33-T50 WeakPolarHBondContact O-CG2 3.36Å; N33-T50 PolarHBondContact O-OG1 3.42Å; N33-L66 VanDerWaalsContact O-CD2 3.29Å; N33-L66 WeakPolarHBondContact O-CD2 3.16Å
34L92.9Very high90.8Very high49 Ų4966.8 Ų66.826%0.25735%0.354SS..PPolyproline II helixtrans-81.6145.9168.7-64.6176.7000109.3A21 S22 E64 L66A21-L34 HydrophobicContact CB-CD1 4.3Å; S22-L34 VanDerWaalsContact CB-CD2 3.44Å; L34-E64 HydrophobicContact CB-CB 4.46Å; L34-E64 HydrophobicContact CD1-CG 4.25Å; L34-L66 HydrophobicContact CD2-CD2 4.15Å; L34-L66 HydrophobicContact CD2-CG 3.8Å
35C94.7Very high91.1Very high2 Ų262.3 Ų62.31%0.01434%0.338CS..BIsolated β-bridgetrans-75.4133.6168.4-61.20000109.2C52 E64 G65C35-C52 WeakPolarHBondContact CA-SG 3.4Å; C35-C52 HydrophobicContact CB-CB 3.75Å; C35-C52 WeakPolarHBondContact CB-SG 3.31Å; C35-C52 WeakPolarHBondContact SG-CB 3.09Å; C35-C52 CovalentContact SG-SG 2.04Å; C35-C52 PolarHBondContact SG-SG 2.91Å; C35-E64 CarbonylContact O-C 3.57Å; C35-E64 WeakPolarHBondContact O-CA 3.32Å; C35-G65 WeakPolarHBondContact CB-O 3.38Å; C35-G65 PolarHBondContact N-O 3.17Å; C35-G65 PolarHBondContact O-N 2.86Å
36P95.4Very high91.1Very high66 Ų6657.7 Ų57.743%0.42933%0.327SS..PPolyproline II helixtrans-70.4165.8177.929.7-34.5000111.3G38 Y39P36-G38 PolarHBondContact O-N 2.93Å; P36-Y39 HydrophobicContact CG-CD2 3.74Å; P36-Y39 HydrophobicContact CG-CE2 4.46Å; P36-Y39 HydrophobicContact CG-CG 3.99Å; P36-Y39 WeakPolarHBondContact O-CB 3.44Å; P36-Y39 PolarHBondContact O-N 2.59Å
37V95.9Very high91.1Very high75 Ų7565 Ų6546%0.45536%0.358SS..THydrogen-bonded Turntrans-52.7140.5172.2-59.50000110.8Y39 T88V37-Y39 PolarHBondContact O-N 3.02Å; V37-T88 HydrophobicContact CB-CG2 4.15Å; V37-T88 HydrophobicContact CG2-CG2 4.12Å
38G94.8Very high91.1Very high6 Ų663.6 Ų63.66%0.06235%0.351CS..THydrogen-bonded Turntrans82.9-7.4-17400000115.3P36 C55 S61 A87P36-G38 PolarHBondContact O-N 2.93Å; G38-C55 PolarHBondContact O-N 3.24Å; G38-C55 PolarHBondContact O-SG 3.27Å; G38-S61 PolarHBondContact N-O 2.82Å; G38-S61 VanDerWaalsContact N-O 3.07Å; G38-A87 VanDerWaalsContact CA-O 3.29Å; G38-A87 WeakPolarHBondContact CA-O 3.29Å
39Y96.2Very high91.4Very high106 Ų10662.5 Ų62.542%0.41634%0.339SS..EExtended strand (participates in β ladder)trans-121.8141.5176.8-68-108.5000110P36 V37 Q53 P54 S61P36-Y39 HydrophobicContact CG-CD2 3.74Å; P36-Y39 HydrophobicContact CG-CE2 4.46Å; P36-Y39 HydrophobicContact CG-CG 3.99Å; P36-Y39 WeakPolarHBondContact O-CB 3.44Å; P36-Y39 PolarHBondContact O-N 2.59Å; V37-Y39 PolarHBondContact O-N 3.02Å; Y39-Q53 CarbonylContact C-O 3.4Å; Y39-Q53 WeakPolarHBondContact CA-O 3.31Å; Y39-Q53 WeakPolarHBondContact CB-O 3.25Å; Y39-Q53 VanDerWaalsContact CD1-C 3.44Å; Y39-P54 HydrophobicContact CD1-CB 4.22Å; Y39-P54 HydrophobicContact CE1-CB 3.89Å; Y39-P54 HydrophobicContact CE1-CG 4.43Å; Y39-S61 WeakPolarHBondContact O-CB 3.03Å; Y39-S61 PolarHBondContact O-OG 3.49Å
40G94.2Very high91.8Very high0 Ų060.5 Ų60.50%032%0.317CS..EExtended strand (participates in β ladder)trans-115.1165.1175.100000111.4E42 C52 Q53 C69G40-E42 PolarHBondContact O-N 3.25Å; G40-C52 WeakPolarHBondContact O-CA 3.24Å; G40-Q53 PolarHBondContact N-O 3.42Å; G40-Q53 PolarHBondContact O-N 2.93Å; G40-C69 VanDerWaalsContact CA-SG 3.51Å; G40-C69 PolarHBondContact N-SG 2.79Å; G40-C69 VanDerWaalsContact N-SG 3.38Å
41L94.8Very high92.1Very high7 Ų758.2 Ų58.24%0.03731%0.305CS..EExtended strand (participates in β ladder)trans-60.6135.3173.6-170.266.9000111E43 T44 T50 Q53 L66 D67 F68L41-E43 VanDerWaalsContact CD1-O 3.24Å; L41-E43 WeakPolarHBondContact CD1-O 3.2Å; L41-T44 HydrophobicContact CD2-CG2 3.67Å; L41-T50 HydrophobicContact CD1-CG2 3.26Å; L41-Q53 PolarHBondContact O-NE2 2.95Å; L41-L66 VanDerWaalsContact CD2-O 3.27Å; L41-L66 WeakPolarHBondContact CD2-O 3.27Å; L41-D67 PolarHBondContact N-O 3.42Å; L41-F68 HydrophobicContact CB-CD1 4.11Å; L41-F68 HydrophobicContact CB-CE1 4.16Å; L41-F68 HydrophobicContact CB-CG 4.27Å; L41-F68 HydrophobicContact CB-CZ 4.4Å; L41-F68 HydrophobicContact CD2-CD2 4.48Å; L41-F68 HydrophobicContact CD2-CE1 4.34Å; L41-F68 HydrophobicContact CD2-CE2 3.88Å; L41-F68 HydrophobicContact CD2-CZ 3.8Å; L41-F68 HydrophobicContact CG-CE1 4.23Å; L41-F68 HydrophobicContact CG-CZ 4.18Å; L41-F68 WeakPolarHBondContact O-CD1 3.18Å; L41-F68 VanDerWaalsContact O-CE1 3.31Å; L41-F68 WeakPolarHBondContact O-CE1 3.38Å
42E93.6Very high92.4Very high101 Ų10158 Ų5847%0.47230%0.303SS..EExtended strand (participates in β ladder)trans-109.4-52.4168-173.9179-169.100109.6G40 K51 Q53G40-E42 PolarHBondContact O-N 3.25Å; E42-K51 PolarHBondContact N-O 2.8Å; E42-Q53 HydrophobicContact CB-CB 4.15Å; E42-Q53 HydrophobicContact CB-CG 3.98Å
43E91.3Very high92.7Very high93 Ų9361.1 Ų61.144%0.43532%0.318SS..EExtended strand (participates in β ladder)trans-126.1130176.1-63.5-177.8174.100110.6L41 K51L41-E43 VanDerWaalsContact CD1-O 3.24Å; L41-E43 WeakPolarHBondContact CD1-O 3.2Å; E43-K51 HydrophobicContact CB-CB 4.12Å; E43-K51 HydrophobicContact CB-CG 4.49Å; E43-K51 HydrophobicContact CG-CD 4.47Å; E43-K51 PolarHBondContact N-O 3.16Å; E43-K51 PolarHBondContact O-N 2.73Å; E43-K51 IonicContact OE1-NZ 3.07Å; E43-K51 WeakPolarHBondContact OE2-CD 3.17Å; E43-K51 WeakPolarHBondContact OE2-CE 3.49Å; E43-K51 IonicContact OE2-NZ 3.77Å; E43-K51 PolarHBondContact OE2-NZ 3.07Å
44T90.1Very high92.9Very high99 Ų9960.3 Ų60.361%0.60732%0.318SS*.  trans-63.5140175.753.60000111.4L41 G46L41-T44 HydrophobicContact CD2-CG2 3.67Å; T44-G46 PolarHBondContact O-N 3.47Å
45C90.4Very high93.1Very high23 Ų2358.8 Ų58.816%0.15531%0.311CS..SBendtrans-56.7132.8169.9-1750000112.3T26 C32T26-C45 WeakPolarHBondContact CG2-SG 3.44Å; C32-C45 HydrophobicContact CB-CB 3.54Å; C32-C45 WeakPolarHBondContact CB-SG 3.38Å; C32-C45 WeakPolarHBondContact SG-CB 3.42Å; C32-C45 CovalentContact SG-SG 2.02Å; C32-C45 PolarHBondContact SG-SG 2.82Å
46G87.9Confident93.1Very high24 Ų2464.5 Ų64.525%0.24734%0.341CS..SBendtrans-165.1-101.9-178.700000110.8T26 E27 T44 E48T26-G46 CarbonylContact C-O 3.46Å; T26-G46 WeakPolarHBondContact CA-O 3.42Å; T26-G46 WeakPolarHBondContact CB-O 3.03Å; E27-G46 PolarHBondContact N-O 2.87Å; T44-G46 PolarHBondContact O-N 3.47Å; G46-E48 PolarHBondContact N-O 3.41Å
47K87.3Confident93Very high165 Ų16567.7 Ų67.772%0.71736%0.361SS*.SBendtrans-68-45.7170.8-69.8-177.8-179.9-179.60111.9E27E27-K47 WeakPolarHBondContact OE2-CG 2.98Å
48E88.4Confident92.9Very high119 Ų11966.3 Ų66.356%0.55636%0.363SS*.SBendtrans-99.6164.4173.1-62.2-173.9170.600110G46 K51G46-E48 PolarHBondContact N-O 3.41Å; E48-K51 VanDerWaalsContact OE2-CE 3.25Å; E48-K51 WeakPolarHBondContact OE2-CE 3.47Å; E48-K51 IonicContact OE2-NZ 2.87Å; E48-K51 PolarHBondContact OE2-NZ 2Å
49N89.1Confident92.9Very high52 Ų5267.8 Ų67.828%0.27837%0.37SS..PPolyproline II helixtrans-72164.5174.8-153.2-24000110.3C32 N33 K51C32-N49 WeakPolarHBondContact CA-OD1 3.38Å; N33-N49 VanDerWaalsContact CG-ND2 3.33Å; N33-N49 PolarHBondContact N-OD1 3.25Å; N33-N49 PolarHBondContact ND2-ND2 3.07Å; N33-N49 PolarHBondContact OD1-ND2 3.43Å; N49-K51 PolarHBondContact O-N 3.07Å
50T92.3Very high92.9Very high13 Ų1363.6 Ų63.68%0.0835%0.354CS..PPolyproline II helixtrans-50.2129.4177.3-45.10000111.2N33 L41 L66N33-T50 WeakPolarHBondContact O-CB 3.26Å; N33-T50 WeakPolarHBondContact O-CG2 3.36Å; N33-T50 PolarHBondContact O-OG1 3.42Å; L41-T50 HydrophobicContact CD1-CG2 3.26Å; T50-L66 HydrophobicContact CG2-CD2 3.59Å
51K94.3Very high93Very high76 Ų7664.1 Ų64.133%0.3336%0.358SS..EExtended strand (participates in β ladder)trans-102.3133.9167.4-65-173.9-171.61390109.9E42 E43 E48 N49E42-K51 PolarHBondContact N-O 2.8Å; E43-K51 HydrophobicContact CB-CB 4.12Å; E43-K51 HydrophobicContact CB-CG 4.49Å; E43-K51 HydrophobicContact CG-CD 4.47Å; E43-K51 PolarHBondContact N-O 3.16Å; E43-K51 PolarHBondContact O-N 2.73Å; E43-K51 IonicContact OE1-NZ 3.07Å; E43-K51 WeakPolarHBondContact OE2-CD 3.17Å; E43-K51 WeakPolarHBondContact OE2-CE 3.49Å; E43-K51 IonicContact OE2-NZ 3.77Å; E43-K51 PolarHBondContact OE2-NZ 3.07Å; E48-K51 VanDerWaalsContact OE2-CE 3.25Å; E48-K51 WeakPolarHBondContact OE2-CE 3.47Å; E48-K51 IonicContact OE2-NZ 2.87Å; E48-K51 PolarHBondContact OE2-NZ 2Å; N49-K51 PolarHBondContact O-N 3.07Å
52C95.5Very high93Very high44 Ų4467.2 Ų67.230%0.29738%0.378SS..EExtended strand (participates in β ladder)trans-120.5139.6-176-55.40000109.6C35 G40C35-C52 WeakPolarHBondContact CA-SG 3.4Å; C35-C52 HydrophobicContact CB-CB 3.75Å; C35-C52 WeakPolarHBondContact CB-SG 3.31Å; C35-C52 WeakPolarHBondContact SG-CB 3.09Å; C35-C52 CovalentContact SG-SG 2.04Å; C35-C52 PolarHBondContact SG-SG 2.91Å; G40-C52 WeakPolarHBondContact O-CA 3.24Å
53Q95.6Very high93Very high68 Ų6865.6 Ų65.632%0.31838%0.378SS..EExtended strand (participates in β ladder)trans-120.7148.9177.664.1-178-40.300110.4Y39 G40 L41 E42Y39-Q53 CarbonylContact C-O 3.4Å; Y39-Q53 WeakPolarHBondContact CA-O 3.31Å; Y39-Q53 WeakPolarHBondContact CB-O 3.25Å; Y39-Q53 VanDerWaalsContact CD1-C 3.44Å; G40-Q53 PolarHBondContact N-O 3.42Å; G40-Q53 PolarHBondContact O-N 2.93Å; L41-Q53 PolarHBondContact O-NE2 2.95Å; E42-Q53 HydrophobicContact CB-CB 4.15Å; E42-Q53 HydrophobicContact CB-CG 3.98Å
54P96.7Very high93.1Very high79 Ų7967.7 Ų67.751%0.51339%0.388SS..EExtended strand (participates in β ladder)trans-64.7141.6174.728-34000110.1Y39 L56Y39-P54 HydrophobicContact CD1-CB 4.22Å; Y39-P54 HydrophobicContact CE1-CB 3.89Å; Y39-P54 HydrophobicContact CE1-CG 4.43Å; P54-L56 PolarHBondContact O-N 2.92Å
55C96.3Very high93.2Very high16 Ų1663.6 Ų63.611%0.10837%0.365CS..PPolyproline II helixtrans-66.1128.6176.7-64.50000111.1G38 T59 C69 A87G38-C55 PolarHBondContact O-N 3.24Å; G38-C55 PolarHBondContact O-SG 3.27Å; C55-T59 WeakPolarHBondContact CB-OG1 3.41Å; C55-C69 WeakPolarHBondContact CA-SG 3.39Å; C55-C69 HydrophobicContact CB-CB 3.85Å; C55-C69 WeakPolarHBondContact CB-SG 3.43Å; C55-C69 WeakPolarHBondContact SG-CB 3.48Å; C55-C69 CovalentContact SG-SG 2.05Å; C55-C69 PolarHBondContact SG-SG 2.89Å; C55-A87 HydrophobicContact CB-CB 4.33Å
56L95.3Very high93.3Very high122 Ų12264 Ų6464%0.63937%0.366SS*.PPolyproline II helixtrans-70.4157.6177.8-67.5172.8000110.6P54 G58 T59P54-L56 PolarHBondContact O-N 2.92Å; L56-G58 PolarHBondContact O-N 3.22Å; L56-T59 PolarHBondContact N-OG1 3.42Å; L56-T59 VanDerWaalsContact N-OG1 3.14Å; L56-T59 PolarHBondContact O-N 3.4Å; L56-T59 PolarHBondContact O-OG1 2.84Å
57P94.1Very high93.5Very high133 Ų13368.4 Ų68.486%0.86438%0.384SS*.THydrogen-bonded Turntrans-52.1129.4175.1-25.634.5000111.8
58G92.4Very high93.9Very high47 Ų4766.3 Ų66.349%0.48538%0.375SS..THydrogen-bonded Turntrans89.47.4-173.200000114.6L56 C72L56-G58 PolarHBondContact O-N 3.22Å; G58-C72 PolarHBondContact O-N 2.89Å; G58-C72 PolarHBondContact O-SG 3.4Å
59T95.8Very high94.2Very high36 Ų3662.1 Ų62.122%0.22136%0.358CS..EExtended strand (participates in β ladder)trans-133.6155.3170.465.50000112.5C55 L56 L70 C72C55-T59 WeakPolarHBondContact CB-OG1 3.41Å; L56-T59 PolarHBondContact N-OG1 3.42Å; L56-T59 VanDerWaalsContact N-OG1 3.14Å; L56-T59 PolarHBondContact O-N 3.4Å; L56-T59 PolarHBondContact O-OG1 2.84Å; T59-L70 CarbonylContact C-O 3.51Å; T59-L70 WeakPolarHBondContact CA-O 3.16Å; T59-L70 VanDerWaalsContact CB-O 3.26Å; T59-L70 WeakPolarHBondContact CB-O 3.28Å; T59-C72 PolarHBondContact N-SG 2.86Å; T59-C72 VanDerWaalsContact N-SG 3.39Å
60F96.3Very high94.5Very high19 Ų1963.6 Ų63.68%0.08337%0.366CS..EExtended strand (participates in β ladder)trans-143.6160.8-179.477.8-78.3000113.1P62 L70 S86 A87 D90F60-P62 HydrophobicContact CD2-CB 4.23Å; F60-P62 HydrophobicContact CD2-CG 4.29Å; F60-P62 HydrophobicContact CE2-CB 4.07Å; F60-P62 HydrophobicContact CE2-CG 3.89Å; F60-L70 HydrophobicContact CD1-CB 4.21Å; F60-L70 HydrophobicContact CE1-CB 3.86Å; F60-L70 HydrophobicContact CE2-CD1 4.4Å; F60-L70 HydrophobicContact CZ-CB 4.14Å; F60-L70 HydrophobicContact CZ-CD1 4.14Å; F60-L70 PolarHBondContact N-O 2.85Å; F60-L70 PolarHBondContact O-N 3.35Å; F60-S86 WeakPolarHBondContact CB-O 3.2Å; F60-A87 CarbonylContact C-O 3.5Å; F60-A87 WeakPolarHBondContact CA-O 3.48Å; F60-D90 HydrophobicContact CD1-CB 4.06Å; F60-D90 HydrophobicContact CD2-CB 4.28Å; F60-D90 HydrophobicContact CE1-CB 3.54Å; F60-D90 WeakPolarHBondContact CE1-OD1 3.32Å; F60-D90 HydrophobicContact CE2-CB 3.79Å; F60-D90 HydrophobicContact CG-CB 4.42Å; F60-D90 HydrophobicContact CZ-CB 3.4Å; F60-D90 VanDerWaalsContact CZ-CB 3.4Å
61S96.6Very high94.7Very high10 Ų1067.8 Ų67.87%0.0739%0.393CS..  trans-138.1106.2174.5177.70000108.9G38 Y39 S63 A87G38-S61 PolarHBondContact N-O 2.82Å; G38-S61 VanDerWaalsContact N-O 3.07Å; Y39-S61 WeakPolarHBondContact O-CB 3.03Å; Y39-S61 PolarHBondContact O-OG 3.49Å; S61-S63 PolarHBondContact OG-O 3.39Å; S61-A87 PolarHBondContact N-O 3.34Å
62P94.9Very high94.7Very high72 Ų7265.3 Ų65.347%0.46839%0.385SS..  trans-83-21.2-168.332.3-35.5000114.4F60 T88F60-P62 HydrophobicContact CD2-CB 4.23Å; F60-P62 HydrophobicContact CD2-CG 4.29Å; F60-P62 HydrophobicContact CE2-CB 4.07Å; F60-P62 HydrophobicContact CE2-CG 3.89Å; P62-T88 WeakPolarHBondContact CA-O 3.32Å
63S93.1Very high94.5Very high68 Ų6866.1 Ų66.148%0.47639%0.391SS..SBendtrans-138.3157.5-175.456.50000110.5S61 G65S61-S63 PolarHBondContact OG-O 3.39Å; S63-G65 PolarHBondContact O-N 2.83Å
64E93.8Very high94.1Very high137 Ų13769 Ų6964%0.6441%0.414SS*.SBendtrans-63.1134.1169.261.4-177.217100110.8L34 C35L34-E64 HydrophobicContact CB-CB 4.46Å; L34-E64 HydrophobicContact CD1-CG 4.25Å; C35-E64 CarbonylContact O-C 3.57Å; C35-E64 WeakPolarHBondContact O-CA 3.32Å
65G91.9Very high93.6Very high12 Ų1266.5 Ų66.512%0.12440%0.398CS..BIsolated β-bridgetrans-172.3-179.4-168.600000114.9C35 S63C35-G65 WeakPolarHBondContact CB-O 3.38Å; C35-G65 PolarHBondContact N-O 3.17Å; C35-G65 PolarHBondContact O-N 2.86Å; S63-G65 PolarHBondContact O-N 2.83Å
66L91.9Very high92.8Very high32 Ų3267.6 Ų67.617%0.16841%0.405CS..SBendtrans-111.520.3171.4-65.5178.8000111.2K24 N33 L34 L41 T50K24-L66 HydrophobicContact CB-CD1 4.44Å; K24-L66 HydrophobicContact CD-CD1 3.8Å; K24-L66 HydrophobicContact CG-CD1 4.22Å; N33-L66 VanDerWaalsContact O-CD2 3.29Å; N33-L66 WeakPolarHBondContact O-CD2 3.16Å; L34-L66 HydrophobicContact CD2-CD2 4.15Å; L34-L66 HydrophobicContact CD2-CG 3.8Å; L41-L66 VanDerWaalsContact CD2-O 3.27Å; L41-L66 WeakPolarHBondContact CD2-O 3.27Å; T50-L66 HydrophobicContact CG2-CD2 3.59Å
67D92.4Very high91.8Very high116 Ų11667.5 Ų67.562%0.6241%0.411SS*.PPolyproline II helixtrans-89.8152.3179.5-60.8-57.5000110.5L41L41-D67 PolarHBondContact N-O 3.42Å
68F94.6Very high90.7Very high122 Ų12264.6 Ų64.654%0.53541%0.406SS..PPolyproline II helixtrans-70.5158.7170.2-65.3-89.7000109.9L41 L70L41-F68 HydrophobicContact CB-CD1 4.11Å; L41-F68 HydrophobicContact CB-CE1 4.16Å; L41-F68 HydrophobicContact CB-CG 4.27Å; L41-F68 HydrophobicContact CB-CZ 4.4Å; L41-F68 HydrophobicContact CD2-CD2 4.48Å; L41-F68 HydrophobicContact CD2-CE1 4.34Å; L41-F68 HydrophobicContact CD2-CE2 3.88Å; L41-F68 HydrophobicContact CD2-CZ 3.8Å; L41-F68 HydrophobicContact CG-CE1 4.23Å; L41-F68 HydrophobicContact CG-CZ 4.18Å; L41-F68 WeakPolarHBondContact O-CD1 3.18Å; L41-F68 VanDerWaalsContact O-CE1 3.31Å; L41-F68 WeakPolarHBondContact O-CE1 3.38Å; F68-L70 PolarHBondContact O-N 3.47Å
69C95.7Very high90Very high31 Ų3163 Ų6321%0.20939%0.387CS..PPolyproline II helixtrans-57.6131.3173.4-63.40000110.3G40 C55G40-C69 VanDerWaalsContact CA-SG 3.51Å; G40-C69 PolarHBondContact N-SG 2.79Å; G40-C69 VanDerWaalsContact N-SG 3.38Å; C55-C69 WeakPolarHBondContact CA-SG 3.39Å; C55-C69 HydrophobicContact CB-CB 3.85Å; C55-C69 WeakPolarHBondContact CB-SG 3.43Å; C55-C69 WeakPolarHBondContact SG-CB 3.48Å; C55-C69 CovalentContact SG-SG 2.05Å; C55-C69 PolarHBondContact SG-SG 2.89Å
70L95.7Very high89.3Confident83 Ų8364.2 Ų64.244%0.43540%0.395SS..EExtended strand (participates in β ladder)trans-83.2141.6-179.7-63.5169.7000109.7T59 F60 F68T59-L70 CarbonylContact C-O 3.51Å; T59-L70 WeakPolarHBondContact CA-O 3.16Å; T59-L70 VanDerWaalsContact CB-O 3.26Å; T59-L70 WeakPolarHBondContact CB-O 3.28Å; F60-L70 HydrophobicContact CD1-CB 4.21Å; F60-L70 HydrophobicContact CE1-CB 3.86Å; F60-L70 HydrophobicContact CE2-CD1 4.4Å; F60-L70 HydrophobicContact CZ-CB 4.14Å; F60-L70 HydrophobicContact CZ-CD1 4.14Å; F60-L70 PolarHBondContact N-O 2.85Å; F60-L70 PolarHBondContact O-N 3.35Å; F68-L70 PolarHBondContact O-N 3.47Å
71P95.9Very high88.8Confident100 Ų10068.4 Ų68.465%0.64942%0.416SS*.EExtended strand (participates in β ladder)trans-65.9140.1172.829.3-33.9000110.2
72C94.6Very high88.2Confident24 Ų2472.8 Ų72.816%0.16244%0.438CS..PPolyproline II helixtrans-68.2142.3174.8-52.70000111G58 T59 C85 D90G58-C72 PolarHBondContact O-N 2.89Å; G58-C72 PolarHBondContact O-SG 3.4Å; T59-C72 PolarHBondContact N-SG 2.86Å; T59-C72 VanDerWaalsContact N-SG 3.39Å; C72-C85 HydrophobicContact CB-CB 3.51Å; C72-C85 WeakPolarHBondContact CB-SG 3.32Å; C72-C85 WeakPolarHBondContact SG-CB 3.05Å; C72-C85 CovalentContact SG-SG 2Å; C72-C85 PolarHBondContact SG-SG 3.35Å; C72-D90 VanDerWaalsContact CA-OD1 3.23Å; C72-D90 WeakPolarHBondContact CA-OD1 3.16Å
73S90.8Very high87.8Confident62 Ų6271.8 Ų71.843%0.43443%0.431SS..PPolyproline II helixtrans-66.1148.6169.9-62.50000110.7D90 T91S73-D90 WeakPolarHBondContact CB-OD2 3.25Å; S73-D90 PolarHBondContact N-OD1 2.95Å; S73-D90 PolarHBondContact OG-OD2 3.25Å; S73-T91 WeakPolarHBondContact O-CB 3.32Å; S73-T91 PolarHBondContact O-OG1 2.05Å
74T88.1Confident87.8Confident128 Ų12872 Ų7279%0.78543%0.432SS*.  trans-111.2135174.3-53.20000109.2
75C84.6Confident87.8Confident27 Ų2767 Ų6718%0.18241%0.413CS..PPolyproline II helixtrans-66134.2178.2-58.50000111.2C93C75-C93 WeakPolarHBondContact CA-SG 3.31Å; C75-C93 HydrophobicContact CB-CB 3.85Å; C75-C93 WeakPolarHBondContact CB-SG 3.33Å; C75-C93 WeakPolarHBondContact SG-CB 3.35Å; C75-C93 CovalentContact SG-SG 2.04Å; C75-C93 PolarHBondContact SG-SG 3.41Å
76P80.5Confident87.9Confident39 Ų3968.8 Ų68.825%0.25342%0.423SS..PPolyproline II helixtrans-58.2156.6174.7-25.335.4000112.3G78 V79 F101P76-G78 PolarHBondContact O-N 2.9Å; P76-V79 HydrophobicContact CB-CG2 4.08Å; P76-V79 HydrophobicContact CG-CG2 4.42Å; P76-V79 PolarHBondContact O-N 3.48Å; P76-V79 VanDerWaalsContact O-N 3.07Å; P76-F101 HydrophobicContact CB-CE2 3.88Å; P76-F101 HydrophobicContact CB-CZ 4.08Å; P76-F101 HydrophobicContact CG-CE2 3.66Å; P76-F101 HydrophobicContact CG-CZ 3.53Å
77P74.7Confident88Confident119 Ų11969.3 Ų69.377%0.77343%0.432SS*.THydrogen-bonded Turntrans-55.9125.2178.4-21.932.4000111.6
78G70.9Confident88.2Confident73 Ų7367.1 Ų67.175%0.75342%0.422SS*.THydrogen-bonded Turntrans85.25.2179.200000115.2P76P76-G78 PolarHBondContact O-N 2.9Å
79V76.6Confident88.1Confident14 Ų1465.5 Ų65.59%0.08542%0.417CS..  trans-104.4121.5168.8-1720000108.8P76 C93 F101P76-V79 HydrophobicContact CB-CG2 4.08Å; P76-V79 HydrophobicContact CG-CG2 4.42Å; P76-V79 PolarHBondContact O-N 3.48Å; P76-V79 VanDerWaalsContact O-N 3.07Å; V79-C93 HydrophobicContact CG1-CB 3.98Å; V79-F101 HydrophobicContact CG2-CD2 3.63Å; V79-F101 HydrophobicContact CG2-CE2 3.68Å
80P81.8Confident88Confident60 Ų6066 Ų6639%0.3942%0.417SS..  trans-68.9144.9178.326.4-29.4000111.2L82 E94P80-L82 PolarHBondContact O-N 2.91Å; P80-E94 WeakPolarHBondContact CD-O 3.38Å; P80-E94 WeakPolarHBondContact CG-O 3.18Å; P80-E94 PolarHBondContact O-N 2.87Å
81M85.8Confident87.8Confident108 Ų10863 Ų6353%0.53240%0.402SS..EExtended strand (participates in β ladder)trans-79.9116.7171.8-175.4-178.775.400108.5T91M81-T91 HydrophobicContact CG-CG2 3.69Å; M81-T91 HydrophobicContact SD-CG2 3.82Å
82L84.6Confident87.4Confident102 Ų10261.3 Ų61.353%0.53439%0.386SS..EExtended strand (participates in β ladder)trans-80.1-43.5177.5-177.566.3000111.1P80 Q92 E94P80-L82 PolarHBondContact O-N 2.91Å; L82-Q92 HydrophobicContact CD2-CG 4.48Å; L82-Q92 PolarHBondContact N-O 2.88Å; L82-E94 HydrophobicContact CB-CB 4.19Å; L82-E94 HydrophobicContact CD2-CB 4.06Å; L82-E94 WeakPolarHBondContact CD2-OE2 3.18Å
83T86.9Confident87Confident50 Ų5061.8 Ų61.831%0.30739%0.389SS..EExtended strand (participates in β ladder)trans-136.1127.4179.3-52.50000109.6Q92T83-Q92 PolarHBondContact N-O 3.47Å; T83-Q92 PolarHBondContact O-N 3.44Å
84S92Very high86.6Confident72 Ų7262.4 Ų62.450%0.50339%0.385SS..  trans-68.5145.8175.5580000111S86S84-S86 PolarHBondContact O-N 3.41Å
85C93.9Very high86.4Confident34 Ų3457 Ų5723%0.2335%0.353CS..  trans-55.7141.2173-162.30000112.3C72 Q89 T91C72-C85 HydrophobicContact CB-CB 3.51Å; C72-C85 WeakPolarHBondContact CB-SG 3.32Å; C72-C85 WeakPolarHBondContact SG-CB 3.05Å; C72-C85 CovalentContact SG-SG 2Å; C72-C85 PolarHBondContact SG-SG 3.35Å; C85-Q89 PolarHBondContact SG-O 3.35Å; C85-T91 WeakPolarHBondContact CB-OG1 3.05Å
86S94.6Very high86.2Confident48 Ų4861 Ų6134%0.33637%0.372SS..BIsolated β-bridgetrans-129.7169.8173.968.60000109.5F60 S84 T88 Q89F60-S86 WeakPolarHBondContact CB-O 3.2Å; S84-S86 PolarHBondContact O-N 3.41Å; S86-T88 PolarHBondContact O-N 2.91Å; S86-T88 PolarHBondContact OG-OG1 3.46Å; S86-Q89 PolarHBondContact N-O 2.93Å; S86-Q89 PolarHBondContact O-N 2.95Å; S86-Q89 WeakPolarHBondContact OG-CB 3.43Å; S86-Q89 PolarHBondContact OG-N 3.48Å; S86-Q89 VanDerWaalsContact OG-N 3.16Å
87A94.2Very high86.3Confident43 Ų4366 Ų6636%0.35540%0.402SS..THydrogen-bonded Turntrans-57.1-24.7178.100000113G38 C55 F60 S61G38-A87 VanDerWaalsContact CA-O 3.29Å; G38-A87 WeakPolarHBondContact CA-O 3.29Å; C55-A87 HydrophobicContact CB-CB 4.33Å; F60-A87 CarbonylContact C-O 3.5Å; F60-A87 WeakPolarHBondContact CA-O 3.48Å; S61-A87 PolarHBondContact N-O 3.34Å
88T95Very high86.8Confident70 Ų7062.5 Ų62.543%0.42939%0.388SS..THydrogen-bonded Turntrans-108-9.6-176.355.40000114.3V37 P62 S86V37-T88 HydrophobicContact CB-CG2 4.15Å; V37-T88 HydrophobicContact CG2-CG2 4.12Å; P62-T88 WeakPolarHBondContact CA-O 3.32Å; S86-T88 PolarHBondContact O-N 2.91Å; S86-T88 PolarHBondContact OG-OG1 3.46Å
89Q93.3Very high87.5Confident89 Ų8963.1 Ų63.142%0.41637%0.37SS..BIsolated β-bridgetrans-144.8136.8-172.4-169.1-176.913.200110.8C85 S86C85-Q89 PolarHBondContact SG-O 3.35Å; S86-Q89 PolarHBondContact N-O 2.93Å; S86-Q89 PolarHBondContact O-N 2.95Å; S86-Q89 WeakPolarHBondContact OG-CB 3.43Å; S86-Q89 PolarHBondContact OG-N 3.48Å; S86-Q89 VanDerWaalsContact OG-N 3.16Å
90D93.8Very high88.1Confident40 Ų4064.7 Ų64.721%0.21438%0.375CS..PPolyproline II helixtrans-64.3164.4174-156.3-0.4000112.3F60 C72 S73 Q92F60-D90 HydrophobicContact CD1-CB 4.06Å; F60-D90 HydrophobicContact CD2-CB 4.28Å; F60-D90 HydrophobicContact CE1-CB 3.54Å; F60-D90 WeakPolarHBondContact CE1-OD1 3.32Å; F60-D90 HydrophobicContact CE2-CB 3.79Å; F60-D90 HydrophobicContact CG-CB 4.42Å; F60-D90 HydrophobicContact CZ-CB 3.4Å; F60-D90 VanDerWaalsContact CZ-CB 3.4Å; C72-D90 VanDerWaalsContact CA-OD1 3.23Å; C72-D90 WeakPolarHBondContact CA-OD1 3.16Å; S73-D90 WeakPolarHBondContact CB-OD2 3.25Å; S73-D90 PolarHBondContact N-OD1 2.95Å; S73-D90 PolarHBondContact OG-OD2 3.25Å; D90-Q92 PolarHBondContact O-N 3.26Å
91T90.9Very high88.2Confident21 Ų2165 Ų6513%0.12937%0.37CS..PPolyproline II helixtrans-59.2127.4165-51.50000110S73 M81 C85S73-T91 WeakPolarHBondContact O-CB 3.32Å; S73-T91 PolarHBondContact O-OG1 2.05Å; M81-T91 HydrophobicContact CG-CG2 3.69Å; M81-T91 HydrophobicContact SD-CG2 3.82Å; C85-T91 WeakPolarHBondContact CB-OG1 3.05Å
92Q87.8Confident88.2Confident64 Ų6461.4 Ų61.430%0.29935%0.354SS..EExtended strand (participates in β ladder)trans-102.6121.5172.7-170.3169.4-4.900109.9L82 T83 D90L82-Q92 HydrophobicContact CD2-CG 4.48Å; L82-Q92 PolarHBondContact N-O 2.88Å; T83-Q92 PolarHBondContact N-O 3.47Å; T83-Q92 PolarHBondContact O-N 3.44Å; D90-Q92 PolarHBondContact O-N 3.26Å
93C86.1Confident88Confident35 Ų3561.3 Ų61.324%0.23636%0.362CS..EExtended strand (participates in β ladder)trans-109.4129.6176.5-48.20000108.3C75 V79C75-C93 WeakPolarHBondContact CA-SG 3.31Å; C75-C93 HydrophobicContact CB-CB 3.85Å; C75-C93 WeakPolarHBondContact CB-SG 3.33Å; C75-C93 WeakPolarHBondContact SG-CB 3.35Å; C75-C93 CovalentContact SG-SG 2.04Å; C75-C93 PolarHBondContact SG-SG 3.41Å; V79-C93 HydrophobicContact CG1-CB 3.98Å
94E81.9Confident87.7Confident75 Ų7562.7 Ų62.735%0.3539%0.386SS..  trans-139.5140.7179.9-168.8160.7171.600108.7P80 L82 L126P80-E94 WeakPolarHBondContact CD-O 3.38Å; P80-E94 WeakPolarHBondContact CG-O 3.18Å; P80-E94 PolarHBondContact O-N 2.87Å; L82-E94 HydrophobicContact CB-CB 4.19Å; L82-E94 HydrophobicContact CD2-CB 4.06Å; L82-E94 WeakPolarHBondContact CD2-OE2 3.18Å; E94-L126 HydrophobicContact CB-CD2 4.26Å; E94-L126 HydrophobicContact CG-CD2 3.93Å
95C84.3Confident87.2Confident15 Ų1565.3 Ų65.310%0.10139%0.394CS..PPolyproline II helixtrans-76.1154.9171.5-66.50000109.4F99 Y100 C108C95-F99 HydrophobicContact CB-CB 3.66Å; C95-Y100 VanDerWaalsContact SG-C 3.58Å; C95-C108 VanDerWaalsContact CA-SG 3.54Å; C95-C108 HydrophobicContact CB-CB 3.77Å; C95-C108 WeakPolarHBondContact CB-SG 3.36Å; C95-C108 VanDerWaalsContact SG-CA 3.59Å; C95-C108 WeakPolarHBondContact SG-CB 3.44Å; C95-C108 CovalentContact SG-SG 2.04Å; C95-C108 PolarHBondContact SG-SG 2.85Å
96D80.8Confident86.4Confident109 Ų10964.6 Ų64.658%0.58339%0.392SS*.PPolyproline II helixtrans-55.5157.6175.5-67.5-38.7000111.6G98 F99D96-G98 PolarHBondContact O-N 3.32Å; D96-G98 VanDerWaalsContact O-N 3.16Å; D96-F99 HydrophobicContact CB-CD2 4.13Å; D96-F99 WeakPolarHBondContact O-CB 3.31Å; D96-F99 PolarHBondContact O-N 2.87Å
97T82.8Confident85.9Confident144 Ų14465.9 Ų65.988%0.88340%0.395SS*.THydrogen-bonded Turntrans-52.4124.2178.652.40000110.9
98G84.1Confident85.5Confident46 Ų4665.3 Ų65.347%0.47439%0.388SS..THydrogen-bonded Turntrans90.411-176.400000114.8D96 C111D96-G98 PolarHBondContact O-N 3.32Å; D96-G98 VanDerWaalsContact O-N 3.16Å; G98-C111 PolarHBondContact O-N 2.96Å; G98-C111 PolarHBondContact O-SG 2.95Å
99F87.1Confident85.2Confident86 Ų8662.8 Ų62.838%0.37737%0.374SS..EExtended strand (participates in β ladder)trans-125.1152171.7-65.7-101.3000111.6C95 D96 C108 A109 P110 C111C95-F99 HydrophobicContact CB-CB 3.66Å; D96-F99 HydrophobicContact CB-CD2 4.13Å; D96-F99 WeakPolarHBondContact O-CB 3.31Å; D96-F99 PolarHBondContact O-N 2.87Å; F99-C108 HydrophobicContact CB-CB 4.19Å; F99-C108 HydrophobicContact CD1-CB 4.46Å; F99-A109 CarbonylContact C-O 3.5Å; F99-A109 WeakPolarHBondContact CA-O 3.42Å; F99-A109 WeakPolarHBondContact CB-O 3.5Å; F99-A109 VanDerWaalsContact CD1-C 3.45Å; F99-P110 HydrophobicContact CD1-CB 4.26Å; F99-P110 HydrophobicContact CE1-CB 4.05Å; F99-C111 PolarHBondContact N-SG 2.79Å; F99-C111 VanDerWaalsContact N-SG 3.41Å
100Y87.5Confident85Confident48 Ų4862.8 Ų62.819%0.18838%0.381CS..EExtended strand (participates in β ladder)trans-123.5157.417070.2-77.7000111.5C95 V102 C108 A109 P110 D129C95-Y100 VanDerWaalsContact SG-C 3.58Å; Y100-V102 HydrophobicContact CD2-CG2 4.14Å; Y100-V102 HydrophobicContact CE2-CG2 3.52Å; Y100-C108 CarbonylContact O-C 3.45Å; Y100-C108 WeakPolarHBondContact O-CA 3.37Å; Y100-A109 HydrophobicContact CD1-CB 4.42Å; Y100-A109 WeakPolarHBondContact CD1-O 3.34Å; Y100-A109 HydrophobicContact CE1-CB 3.89Å; Y100-A109 PolarHBondContact N-O 2.87Å; Y100-A109 PolarHBondContact O-N 3.1Å; Y100-P110 WeakPolarHBondContact CE1-O 3.02Å; Y100-D129 HydrophobicContact CD1-CB 3.82Å; Y100-D129 HydrophobicContact CD2-CB 3.99Å; Y100-D129 VanDerWaalsContact CD2-N 3.28Å; Y100-D129 HydrophobicContact CE1-CB 3.54Å; Y100-D129 WeakPolarHBondContact CE1-OD1 3.48Å; Y100-D129 HydrophobicContact CE2-CB 3.71Å; Y100-D129 HydrophobicContact CG-CB 4.04Å; Y100-D129 VanDerWaalsContact CZ-CB 3.48Å
101F85.7Confident84.8Confident65 Ų6562.1 Ų62.129%0.28538%0.38SS..EExtended strand (participates in β ladder)trans-83.1124.5178.8-178.2-112.2000111.7P76 V79P76-F101 HydrophobicContact CB-CE2 3.88Å; P76-F101 HydrophobicContact CB-CZ 4.08Å; P76-F101 HydrophobicContact CG-CE2 3.66Å; P76-F101 HydrophobicContact CG-CZ 3.53Å; V79-F101 HydrophobicContact CG2-CD2 3.63Å; V79-F101 HydrophobicContact CG2-CE2 3.68Å
102V85.7Confident84.9Confident33 Ų3363.9 Ų63.920%0.239%0.393CS..EExtended strand (participates in β ladder)trans-96.296.3174.7-1750000109.3Y100 G104 L105 G106 L107 A109Y100-V102 HydrophobicContact CD2-CG2 4.14Å; Y100-V102 HydrophobicContact CE2-CG2 3.52Å; V102-G104 PolarHBondContact O-N 3.38Å; V102-G104 VanDerWaalsContact O-N 3.11Å; V102-L105 HydrophobicContact CB-CB 4.45Å; V102-L105 HydrophobicContact CG1-CB 4.12Å; V102-L105 HydrophobicContact CG1-CD1 4.16Å; V102-L105 HydrophobicContact CG1-CG 4.18Å; V102-L105 PolarHBondContact O-N 3.03Å; V102-G106 PolarHBondContact O-N 2.81Å; V102-L107 HydrophobicContact CG2-CD1 4.49Å; V102-L107 PolarHBondContact N-O 2.87Å; V102-A109 HydrophobicContact CG2-CB 3.51Å
103S80.6Confident85Confident101 Ų10168.1 Ų68.171%0.70641%0.406SS*.THydrogen-bonded Turntrans-57.6-30.6-175-47.40000114.5L105S103-L105 VanDerWaalsContact C-N 3.33Å
104G80.1Confident85.4Confident78 Ų7866.5 Ų66.580%0.80440%0.395SS*.THydrogen-bonded Turntrans-72.4-23.4178.800000114.5V102V102-G104 PolarHBondContact O-N 3.38Å; V102-G104 VanDerWaalsContact O-N 3.11Å
105L80.4Confident85.9Confident128 Ų12872.1 Ų72.167%0.6741%0.413SS*.THydrogen-bonded Turntrans-113.1-12.1-178.9-66.3174.6000112.8V102 S103 L107V102-L105 HydrophobicContact CB-CB 4.45Å; V102-L105 HydrophobicContact CG1-CB 4.12Å; V102-L105 HydrophobicContact CG1-CD1 4.16Å; V102-L105 HydrophobicContact CG1-CG 4.18Å; V102-L105 PolarHBondContact O-N 3.03Å; S103-L105 VanDerWaalsContact C-N 3.33Å; L105-L107 VanDerWaalsContact C-N 3.27Å; L105-L107 HydrophobicContact CB-CD1 4.5Å; L105-L107 HydrophobicContact CB-CD2 3.67Å; L105-L107 HydrophobicContact CB-CG 3.68Å; L105-L107 HydrophobicContact CD1-CD2 4.24Å; L105-L107 PolarHBondContact O-N 3.48Å
106G78.5Confident86.4Confident19 Ų1973.5 Ų73.520%0.19642%0.421CS..THydrogen-bonded Turntrans6823.6-179.800000114V102V102-G106 PolarHBondContact O-N 2.81Å
107L83.6Confident87Confident74 Ų7468.3 Ų68.339%0.38739%0.394SS..EExtended strand (participates in β ladder)trans-130.7158.3-174.16185.4000112.4V102 L105 A109V102-L107 HydrophobicContact CG2-CD1 4.49Å; V102-L107 PolarHBondContact N-O 2.87Å; L105-L107 VanDerWaalsContact C-N 3.27Å; L105-L107 HydrophobicContact CB-CD1 4.5Å; L105-L107 HydrophobicContact CB-CD2 3.67Å; L105-L107 HydrophobicContact CB-CG 3.68Å; L105-L107 HydrophobicContact CD1-CD2 4.24Å; L105-L107 PolarHBondContact O-N 3.48Å; L107-A109 HydrophobicContact CD1-CB 4.31Å
108C86.4Confident87.6Confident32 Ų3264.7 Ų64.722%0.21637%0.366CS..EExtended strand (participates in β ladder)trans-82.5125.1171.3-66.80000110.2C95 F99 Y100C95-C108 VanDerWaalsContact CA-SG 3.54Å; C95-C108 HydrophobicContact CB-CB 3.77Å; C95-C108 WeakPolarHBondContact CB-SG 3.36Å; C95-C108 VanDerWaalsContact SG-CA 3.59Å; C95-C108 WeakPolarHBondContact SG-CB 3.44Å; C95-C108 CovalentContact SG-SG 2.04Å; C95-C108 PolarHBondContact SG-SG 2.85Å; F99-C108 HydrophobicContact CB-CB 4.19Å; F99-C108 HydrophobicContact CD1-CB 4.46Å; Y100-C108 CarbonylContact O-C 3.45Å; Y100-C108 WeakPolarHBondContact O-CA 3.37Å
109A87.1Confident88Confident16 Ų1662.5 Ų62.513%0.13234%0.344CS..EExtended strand (participates in β ladder)trans-112.4148.3175.400000110.3F99 Y100 V102 L107F99-A109 CarbonylContact C-O 3.5Å; F99-A109 WeakPolarHBondContact CA-O 3.42Å; F99-A109 WeakPolarHBondContact CB-O 3.5Å; F99-A109 VanDerWaalsContact CD1-C 3.45Å; Y100-A109 HydrophobicContact CD1-CB 4.42Å; Y100-A109 WeakPolarHBondContact CD1-O 3.34Å; Y100-A109 HydrophobicContact CE1-CB 3.89Å; Y100-A109 PolarHBondContact N-O 2.87Å; Y100-A109 PolarHBondContact O-N 3.1Å; V102-A109 HydrophobicContact CG2-CB 3.51Å; L107-A109 HydrophobicContact CD1-CB 4.31Å
110P89.6Confident88.4Confident89 Ų8959.2 Ų59.258%0.57833%0.331SS*.EExtended strand (participates in β ladder)trans-63.9141.7178.127.3-34.4000110.6F99 Y100 S112F99-P110 HydrophobicContact CD1-CB 4.26Å; F99-P110 HydrophobicContact CE1-CB 4.05Å; Y100-P110 WeakPolarHBondContact CE1-O 3.02Å; P110-S112 PolarHBondContact O-N 2.92Å
111C90.6Very high88.7Confident27 Ų2761 Ų6118%0.18235%0.347CS..PPolyproline II helixtrans-64132.7177.3-59.90000111.4G98 F99 C124 D129G98-C111 PolarHBondContact O-N 2.96Å; G98-C111 PolarHBondContact O-SG 2.95Å; F99-C111 PolarHBondContact N-SG 2.79Å; F99-C111 VanDerWaalsContact N-SG 3.41Å; C111-C124 HydrophobicContact CB-CB 3.54Å; C111-C124 WeakPolarHBondContact CB-SG 3.27Å; C111-C124 WeakPolarHBondContact SG-CB 3.37Å; C111-C124 CovalentContact SG-SG 2Å; C111-C124 PolarHBondContact SG-SG 3.29Å; C111-D129 WeakPolarHBondContact CA-OD1 3.47Å
112S91.4Very high88.9Confident58 Ų5861.5 Ų61.541%0.40635%0.347SS..PPolyproline II helixtrans-64.3150.5168.6-65.80000110.3P110 D129 T130P110-S112 PolarHBondContact O-N 2.92Å; S112-D129 WeakPolarHBondContact CB-OD1 3.25Å; S112-D129 WeakPolarHBondContact CB-OD2 3.37Å; S112-D129 PolarHBondContact N-OD1 2.92Å; S112-D129 PolarHBondContact OG-OD2 3.45Å; S112-T130 WeakPolarHBondContact O-CB 3.06Å; S112-T130 PolarHBondContact O-OG1 3.08Å
113R91.4Very high89.1Confident153 Ų15367.3 Ų67.358%0.57737%0.372SS*.  trans-121145.9177.2-60.6174.290.7-176.510108.4V145R113-V145 HydrophobicContact CB-CG1 3.33Å; R113-V145 HydrophobicContact CG-CG1 3.82Å; R113-V145 VanDerWaalsContact NE-CG1 3.34Å
114C93.3Very high89.5Confident0 Ų064.1 Ų64.10%035%0.349CS..BIsolated β-bridgetrans-77.5134.4-173.3-58.70000110.3H118 V120 C132 V145 S146C114-H118 HydrophobicContact CB-CB 4.24Å; C114-V120 VanDerWaalsContact SG-CG2 3.5Å; C114-C132 WeakPolarHBondContact CA-SG 3.32Å; C114-C132 HydrophobicContact CB-CB 3.87Å; C114-C132 WeakPolarHBondContact CB-SG 3.47Å; C114-C132 VanDerWaalsContact SG-CA 3.55Å; C114-C132 WeakPolarHBondContact SG-CB 3.27Å; C114-C132 CovalentContact SG-SG 2.04Å; C114-C132 PolarHBondContact SG-SG 2.86Å; C114-V145 CarbonylContact O-C 3.54Å; C114-V145 WeakPolarHBondContact O-CA 3.07Å; C114-S146 PolarHBondContact N-O 3.29Å; C114-S146 VanDerWaalsContact N-O 3.08Å; C114-S146 PolarHBondContact O-N 2.83Å
115R93.8Very high89.6Confident193 Ų19361.5 Ų61.573%0.72832%0.322SS*.  trans-75.6164176.2-57.6-177.3-174.6-164-0.2109.9G117 H118R115-G117 PolarHBondContact O-N 2.95Å; R115-H118 WeakPolarHBondContact O-CA 3.48Å; R115-H118 WeakPolarHBondContact O-CB 3.32Å; R115-H118 PolarHBondContact O-N 2.78Å
116T94.1Very high89.2Confident45 Ų4560.7 Ų60.728%0.27632%0.318SS..THydrogen-bonded Turntrans-45.2137.5168.7-27.80000110.9H118 S141 D144 N169T116-H118 VanDerWaalsContact C-N 3.26Å; T116-H118 PolarHBondContact O-N 2.89Å; T116-H118 PolarHBondContact O-ND1 2.87Å; T116-S141 VanDerWaalsContact CG2-O 3.32Å; T116-S141 WeakPolarHBondContact CG2-O 3.41Å; T116-D144 WeakPolarHBondContact OG1-CA 3.41Å; T116-D144 PolarHBondContact OG1-OD1 3.32Å; T116-N169 HydrophobicContact CG2-CB 3.9Å
117G92.8Very high89.1Confident0 Ų067 Ų670%035%0.346CS..THydrogen-bonded Turntrans83.3-6.3-174.600000115.6R115 K134 C135 S141 H168R115-G117 PolarHBondContact O-N 2.95Å; G117-K134 WeakPolarHBondContact O-CA 3.25Å; G117-C135 PolarHBondContact O-N 2.67Å; G117-S141 PolarHBondContact N-O 3.39Å; G117-H168 VanDerWaalsContact CA-O 3.25Å; G117-H168 WeakPolarHBondContact CA-O 3.44Å
118H95Very high89.2Confident67 Ų6764 Ų6431%0.3133%0.334SS..EExtended strand (participates in β ladder)trans-126.8144.5-179.8-58.969000111.1C114 R115 T116 C132 Q133 K134 S141C114-H118 HydrophobicContact CB-CB 4.24Å; R115-H118 WeakPolarHBondContact O-CA 3.48Å; R115-H118 WeakPolarHBondContact O-CB 3.32Å; R115-H118 PolarHBondContact O-N 2.78Å; T116-H118 VanDerWaalsContact C-N 3.26Å; T116-H118 PolarHBondContact O-N 2.89Å; T116-H118 PolarHBondContact O-ND1 2.87Å; H118-C132 HydrophobicContact CB-CB 4.29Å; H118-Q133 CarbonylContact C-O 3.37Å; H118-Q133 WeakPolarHBondContact CA-O 3.27Å; H118-Q133 WeakPolarHBondContact CB-O 3.31Å; H118-K134 PolarHBondContact CD2-N 3.33Å; H118-S141 WeakPolarHBondContact O-CB 2.9Å; H118-S141 PolarHBondContact O-OG 2.82Å
119G94Very high89.5Confident1 Ų164 Ų641%0.0133%0.331CS..EExtended strand (participates in β ladder)trans-119.8156.9176.100000111.9V121 C132 Q133 C150G119-V121 PolarHBondContact O-N 2.84Å; G119-C132 WeakPolarHBondContact O-CA 3.3Å; G119-Q133 PolarHBondContact N-O 3.42Å; G119-Q133 PolarHBondContact O-N 2.77Å; G119-C150 VanDerWaalsContact CA-SG 3.59Å; G119-C150 PolarHBondContact N-SG 3.19Å; G119-C150 VanDerWaalsContact N-SG 3.4Å
120V94.5Very high89.7Confident17 Ų1764.4 Ų64.410%0.10333%0.332CS..EExtended strand (participates in β ladder)trans-69.7125.7174.9-179.90000109.8C114 E123 T130 T147 K148 P149C114-V120 VanDerWaalsContact SG-CG2 3.5Å; V120-E123 HydrophobicContact CG1-CG 4.19Å; V120-T130 HydrophobicContact CB-CG2 4.49Å; V120-T130 HydrophobicContact CG1-CG2 3.99Å; V120-T130 HydrophobicContact CG2-CG2 3.9Å; V120-T147 VanDerWaalsContact CG2-C 3.46Å; V120-T147 WeakPolarHBondContact CG2-O 3.31Å; V120-K148 PolarHBondContact N-O 3.49Å; V120-P149 WeakPolarHBondContact O-CA 3.4Å
121V93.6Very high89.9Confident84 Ų8464.5 Ų64.551%0.50933%0.328SS..EExtended strand (participates in β ladder)trans-102.7-37.8171.9178.90000110.8G119 L131 Q133G119-V121 PolarHBondContact O-N 2.84Å; V121-L131 HydrophobicContact CB-CD2 4.29Å; V121-L131 HydrophobicContact CG1-CD2 4.31Å; V121-L131 PolarHBondContact N-O 3.19Å; V121-Q133 HydrophobicContact CG2-CB 3.37Å; V121-Q133 HydrophobicContact CG2-CG 4.42Å
122R91.2Very high90.1Very high77 Ų7765.5 Ų65.529%0.29133%0.334SS..EExtended strand (participates in β ladder)trans-133.4128174.2-171.6-178.356.769.9-4.9108.9G128 D129 T130 L131R122-G128 PolarHBondContact NH1-O 3.41Å; R122-D129 PolarHBondContact NH1-O 3.42Å; R122-D129 PolarHBondContact NH2-O 2.85Å; R122-T130 WeakPolarHBondContact O-CA 3.18Å; R122-L131 HydrophobicContact CB-CB 3.8Å; R122-L131 PolarHBondContact N-O 3.36Å; R122-L131 PolarHBondContact O-N 2.81Å
123E90.1Very high90.3Very high154 Ų15468.5 Ų68.572%0.7234%0.342SS*.  trans-67.4153.5174.1-63.1-177.8171.500111.1V120V120-E123 HydrophobicContact CG1-CG 4.19Å
124C88.8Confident90.5Very high34 Ų3467.1 Ų67.123%0.2334%0.34CS..SBendtrans-67.1143174.7-167.30000111.2C111 T130C111-C124 HydrophobicContact CB-CB 3.54Å; C111-C124 WeakPolarHBondContact CB-SG 3.27Å; C111-C124 WeakPolarHBondContact SG-CB 3.37Å; C111-C124 CovalentContact SG-SG 2Å; C111-C124 PolarHBondContact SG-SG 3.29Å; C124-T130 WeakPolarHBondContact CB-OG1 3.48Å
125G80.5Confident90.6Very high24 Ų2467.5 Ų67.525%0.24734%0.343CS..BIsolated β-bridgetrans168.8-144.1174.400000112.9L127 G128G125-L127 PolarHBondContact O-N 3.17Å; G125-G128 PolarHBondContact N-O 3.27Å; G125-G128 VanDerWaalsContact N-O 3.09Å; G125-G128 PolarHBondContact O-N 3.3Å
126L73.7Confident90.6Very high111 Ų11160.1 Ų60.158%0.58133%0.326SS*.THydrogen-bonded Turntrans-59-30.2-177.9-60.3177.6000113.5E94 G128E94-L126 HydrophobicContact CB-CD2 4.26Å; E94-L126 HydrophobicContact CG-CD2 3.93Å; L126-G128 PolarHBondContact O-N 3.03Å
127L76.1Confident90.6Very high150 Ų15064.6 Ų64.679%0.78536%0.356SS*.THydrogen-bonded Turntrans-81-3.2179.7-62.6175.5000113.1G125G125-L127 PolarHBondContact O-N 3.17Å
128G85.6Confident90.6Very high12 Ų1266.9 Ų66.912%0.12438%0.38CS..BIsolated β-bridgetrans112.9-166.9179.300000113.3R122 G125 L126R122-G128 PolarHBondContact NH1-O 3.41Å; G125-G128 PolarHBondContact N-O 3.27Å; G125-G128 VanDerWaalsContact N-O 3.09Å; G125-G128 PolarHBondContact O-N 3.3Å; L126-G128 PolarHBondContact O-N 3.03Å
129D91.7Very high90.6Very high32 Ų3265.6 Ų65.617%0.17138%0.377CS..SBendtrans-57.6163.4-173.3-157.92.1000114.1Y100 C111 S112 R122 L131Y100-D129 HydrophobicContact CD1-CB 3.82Å; Y100-D129 HydrophobicContact CD2-CB 3.99Å; Y100-D129 VanDerWaalsContact CD2-N 3.28Å; Y100-D129 HydrophobicContact CE1-CB 3.54Å; Y100-D129 WeakPolarHBondContact CE1-OD1 3.48Å; Y100-D129 HydrophobicContact CE2-CB 3.71Å; Y100-D129 HydrophobicContact CG-CB 4.04Å; Y100-D129 VanDerWaalsContact CZ-CB 3.48Å; C111-D129 WeakPolarHBondContact CA-OD1 3.47Å; S112-D129 WeakPolarHBondContact CB-OD1 3.25Å; S112-D129 WeakPolarHBondContact CB-OD2 3.37Å; S112-D129 PolarHBondContact N-OD1 2.92Å; S112-D129 PolarHBondContact OG-OD2 3.45Å; R122-D129 PolarHBondContact NH1-O 3.42Å; R122-D129 PolarHBondContact NH2-O 2.85Å; D129-L131 PolarHBondContact O-N 3.43Å
130T92.5Very high90.6Very high24 Ų2466.1 Ų66.115%0.14738%0.379CS..  trans-54.9128.3168.4-51.90000110.4S112 V120 R122 C124S112-T130 WeakPolarHBondContact O-CB 3.06Å; S112-T130 PolarHBondContact O-OG1 3.08Å; V120-T130 HydrophobicContact CB-CG2 4.49Å; V120-T130 HydrophobicContact CG1-CG2 3.99Å; V120-T130 HydrophobicContact CG2-CG2 3.9Å; R122-T130 WeakPolarHBondContact O-CA 3.18Å; C124-T130 WeakPolarHBondContact CB-OG1 3.48Å
131L94.2Very high90.7Very high92 Ų9265.4 Ų65.448%0.48238%0.375SS..EExtended strand (participates in β ladder)trans-95.8114.7173.1-169.277.9000109.5V121 R122 D129V121-L131 HydrophobicContact CB-CD2 4.29Å; V121-L131 HydrophobicContact CG1-CD2 4.31Å; V121-L131 PolarHBondContact N-O 3.19Å; R122-L131 HydrophobicContact CB-CB 3.8Å; R122-L131 PolarHBondContact N-O 3.36Å; R122-L131 PolarHBondContact O-N 2.81Å; D129-L131 PolarHBondContact O-N 3.43Å
132C94.9Very high90.6Very high47 Ų4766.3 Ų66.332%0.31837%0.373SS..EExtended strand (participates in β ladder)trans-101138.5177.3-59.70000111.2C114 H118 G119C114-C132 WeakPolarHBondContact CA-SG 3.32Å; C114-C132 HydrophobicContact CB-CB 3.87Å; C114-C132 WeakPolarHBondContact CB-SG 3.47Å; C114-C132 VanDerWaalsContact SG-CA 3.55Å; C114-C132 WeakPolarHBondContact SG-CB 3.27Å; C114-C132 CovalentContact SG-SG 2.04Å; C114-C132 PolarHBondContact SG-SG 2.86Å; H118-C132 HydrophobicContact CB-CB 4.29Å; G119-C132 WeakPolarHBondContact O-CA 3.3Å
133Q94.9Very high90.3Very high121 Ų12166.2 Ų66.257%0.56538%0.376SS*.EExtended strand (participates in β ladder)trans-127.9144.7174.2-176.9178.2-20.700110.5H118 G119 V121 C135H118-Q133 CarbonylContact C-O 3.37Å; H118-Q133 WeakPolarHBondContact CA-O 3.27Å; H118-Q133 WeakPolarHBondContact CB-O 3.31Å; G119-Q133 PolarHBondContact N-O 3.42Å; G119-Q133 PolarHBondContact O-N 2.77Å; V121-Q133 HydrophobicContact CG2-CB 3.37Å; V121-Q133 HydrophobicContact CG2-CG 4.42Å; Q133-C135 PolarHBondContact O-N 2.04Å
134K95.1Very high89.5Confident124 Ų12464.8 Ų64.854%0.53937%0.373SS..EExtended strand (participates in β ladder)trans-61.7133.8174.2-173.1176.6-178.9177.60110.3G117 H118 G136G117-K134 WeakPolarHBondContact O-CA 3.25Å; H118-K134 PolarHBondContact CD2-N 3.33Å; K134-G136 PolarHBondContact O-N 3.39Å
135C95.6Very high89.1Confident9 Ų966.7 Ų66.76%0.06138%0.384CS..  trans-64.6133.9178.3-59.40000111.2G117 Q133 T139 C150 H168G117-C135 PolarHBondContact O-N 2.67Å; Q133-C135 PolarHBondContact O-N 2.04Å; C135-T139 WeakPolarHBondContact CB-O 3.19Å; C135-T139 WeakPolarHBondContact CB-OG1 3.46Å; C135-C150 WeakPolarHBondContact CA-SG 3.42Å; C135-C150 HydrophobicContact CB-CB 3.8Å; C135-C150 WeakPolarHBondContact CB-SG 3.15Å; C135-C150 WeakPolarHBondContact SG-CB 3.39Å; C135-C150 CovalentContact SG-SG 2.05Å; C135-C150 PolarHBondContact SG-SG 3.39Å; C135-H168 HydrophobicContact CB-CB 4.11Å
136G94.4Very high88.9Confident37 Ų3765.6 Ų65.638%0.38137%0.372SS..  trans-80.9176.4179.500000112.2K134 G138 T139K134-G136 PolarHBondContact O-N 3.39Å; G136-G138 PolarHBondContact O-N 3.24Å; G136-T139 PolarHBondContact N-OG1 3.37Å; G136-T139 PolarHBondContact O-N 3.32Å; G136-T139 PolarHBondContact O-OG1 2.78Å
137P93.5Very high89.4Confident140 Ų14064.1 Ų64.191%0.90937%0.368SS*.THydrogen-bonded Turntrans-55.2135.1176.5-21.732.6000111.5T139P137-T139 VanDerWaalsContact C-N 3.28Å
138G92.4Very high90Very high48 Ų4861.4 Ų61.450%0.49535%0.35SS..THydrogen-bonded Turntrans77.210.6-177.200000114.6G136 C153G136-G138 PolarHBondContact O-N 3.24Å; G138-C153 VanDerWaalsContact CA-SG 3.55Å; G138-C153 PolarHBondContact O-N 3.09Å; G138-C153 PolarHBondContact O-SG 2.77Å
139T95.3Very high90.4Very high39 Ų3964.9 Ų64.924%0.23937%0.37CS..EExtended strand (participates in β ladder)trans-135.5151.5172.764.30000112.8C135 G136 P137 Q151 C153C135-T139 WeakPolarHBondContact CB-O 3.19Å; C135-T139 WeakPolarHBondContact CB-OG1 3.46Å; G136-T139 PolarHBondContact N-OG1 3.37Å; G136-T139 PolarHBondContact O-N 3.32Å; G136-T139 PolarHBondContact O-OG1 2.78Å; P137-T139 VanDerWaalsContact C-N 3.28Å; T139-Q151 CarbonylContact C-O 3.52Å; T139-Q151 WeakPolarHBondContact CA-O 3.42Å; T139-Q151 VanDerWaalsContact CB-O 3.25Å; T139-Q151 WeakPolarHBondContact CB-O 3.48Å; T139-C153 PolarHBondContact N-SG 3.01Å; T139-C153 VanDerWaalsContact N-SG 3.41Å
140F94.6Very high90.5Very high12 Ų1265.3 Ų65.35%0.05338%0.375CS..EExtended strand (participates in β ladder)trans-144167.3-176.578.7-81.9000113.7E142 Q151 A152 C153 M167 H168 D171F140-E142 HydrophobicContact CD2-CG 3.81Å; F140-E142 HydrophobicContact CE2-CG 3.85Å; F140-Q151 HydrophobicContact CD1-CB 4.34Å; F140-Q151 HydrophobicContact CE1-CB 3.98Å; F140-Q151 HydrophobicContact CZ-CB 4.23Å; F140-Q151 PolarHBondContact N-O 3.19Å; F140-Q151 PolarHBondContact O-N 3.06Å; F140-A152 WeakPolarHBondContact CE1-O 3.08Å; F140-C153 HydrophobicContact CD1-CB 4.44Å; F140-M167 WeakPolarHBondContact CB-O 3.44Å; F140-H168 CarbonylContact C-O 3.56Å; F140-H168 WeakPolarHBondContact CA-O 3.01Å; F140-D171 HydrophobicContact CD1-CB 4.08Å; F140-D171 HydrophobicContact CD2-CB 4.12Å; F140-D171 HydrophobicContact CE1-CB 3.63Å; F140-D171 WeakPolarHBondContact CE1-OD1 3.47Å; F140-D171 HydrophobicContact CE2-CB 3.68Å; F140-D171 HydrophobicContact CG-CB 4.31Å; F140-D171 HydrophobicContact CZ-CB 3.42Å; F140-D171 VanDerWaalsContact CZ-CB 3.42Å; F140-D171 VanDerWaalsContact CZ-CG 3.46Å
141S95.6Very high90.6Very high3 Ų367.8 Ų67.82%0.02139%0.385CS..  trans-153.3109.1174.8179.50000109.6T116 G117 H118 H168T116-S141 VanDerWaalsContact CG2-O 3.32Å; T116-S141 WeakPolarHBondContact CG2-O 3.41Å; G117-S141 PolarHBondContact N-O 3.39Å; H118-S141 WeakPolarHBondContact O-CB 2.9Å; H118-S141 PolarHBondContact O-OG 2.82Å; S141-H168 PolarHBondContact N-O 3.48Å
142E91.1Very high90.7Very high102 Ų10267.1 Ų67.148%0.47739%0.393SS..  trans-93-23.4-176.2-74.8174.7-171.900114.3F140 D144 N169 F170 D171F140-E142 HydrophobicContact CD2-CG 3.81Å; F140-E142 HydrophobicContact CE2-CG 3.85Å; E142-D144 PolarHBondContact O-N 3.41Å; E142-N169 VanDerWaalsContact CG-O 3.29Å; E142-N169 WeakPolarHBondContact CG-O 3.46Å; E142-F170 HydrophobicContact CG-CB 4.11Å; E142-F170 VanDerWaalsContact OE1-CA 3.24Å; E142-F170 WeakPolarHBondContact OE1-CA 3.32Å; E142-D171 PolarHBondContact OE1-N 3.28Å
143E85.4Confident90.7Very high76 Ų7666 Ų6636%0.35539%0.385SS..  trans-70.6123.4-176.6-68.2169-178.100109.7V145 S146 K148E143-V145 PolarHBondContact O-N 2.81Å; E143-S146 PolarHBondContact O-N 3.33Å; E143-S146 WeakPolarHBondContact OE2-CB 3.2Å; E143-S146 PolarHBondContact OE2-OG 2.66Å; E143-K148 IonicContact OE1-NZ 2.81Å; E143-K148 PolarHBondContact OE1-NZ 3.42Å
144D74.1Confident90.7Very high124 Ų12463.1 Ų63.166%0.66338%0.379SS*.THydrogen-bonded Turntrans-58.5-16.4178.2-72.8-38000113.5T116 E142T116-D144 WeakPolarHBondContact OG1-CA 3.41Å; T116-D144 PolarHBondContact OG1-OD1 3.32Å; E142-D144 PolarHBondContact O-N 3.41Å
145V79.5Confident90.6Very high73 Ų7366.1 Ų66.144%0.44240%0.395SS..THydrogen-bonded Turntrans-145.162.3-178.2-168.60000109.5R113 C114 E143R113-V145 HydrophobicContact CB-CG1 3.33Å; R113-V145 HydrophobicContact CG-CG1 3.82Å; R113-V145 VanDerWaalsContact NE-CG1 3.34Å; C114-V145 CarbonylContact O-C 3.54Å; C114-V145 WeakPolarHBondContact O-CA 3.07Å; E143-V145 PolarHBondContact O-N 2.81Å
146S77.1Confident90.5Very high1 Ų167.4 Ų67.41%0.00740%0.403CS..BIsolated β-bridgetrans-78.2138.2-176.7-155.60000112.8C114 E143 K148C114-S146 PolarHBondContact N-O 3.29Å; C114-S146 VanDerWaalsContact N-O 3.08Å; C114-S146 PolarHBondContact O-N 2.83Å; E143-S146 PolarHBondContact O-N 3.33Å; E143-S146 WeakPolarHBondContact OE2-CB 3.2Å; E143-S146 PolarHBondContact OE2-OG 2.66Å; S146-K148 PolarHBondContact OG-N 3.03Å
147T83.9Confident90.3Very high81 Ų8168.5 Ų68.550%0.49741%0.405SS..  trans-102.75.516659.70000111.7V120V120-T147 VanDerWaalsContact CG2-C 3.46Å; V120-T147 WeakPolarHBondContact CG2-O 3.31Å
148K89Confident90.1Very high93 Ų9369 Ų6940%0.40440%0.4SS..SBendtrans-99.7155-176.2-64.4172.2-172.3155.90110.9V120 E143 S146V120-K148 PolarHBondContact N-O 3.49Å; E143-K148 IonicContact OE1-NZ 2.81Å; E143-K148 PolarHBondContact OE1-NZ 3.42Å; S146-K148 PolarHBondContact OG-N 3.03Å
149P93.6Very high89.9Confident85 Ų8572.7 Ų72.755%0.55241%0.408SS*.PPolyproline II helixtrans-65.1166.4165.129.7-35000110.9V120 Q151V120-P149 WeakPolarHBondContact O-CA 3.4Å; P149-Q151 PolarHBondContact O-N 3.37Å
150C94.8Very high89.7Confident40 Ų4073.4 Ų73.427%0.2741%0.409SS..PPolyproline II helixtrans-58.7130.2174.5-65.60000110.3G119 C135G119-C150 VanDerWaalsContact CA-SG 3.59Å; G119-C150 PolarHBondContact N-SG 3.19Å; G119-C150 VanDerWaalsContact N-SG 3.4Å; C135-C150 WeakPolarHBondContact CA-SG 3.42Å; C135-C150 HydrophobicContact CB-CB 3.8Å; C135-C150 WeakPolarHBondContact CB-SG 3.15Å; C135-C150 WeakPolarHBondContact SG-CB 3.39Å; C135-C150 CovalentContact SG-SG 2.05Å; C135-C150 PolarHBondContact SG-SG 3.39Å
151Q94.4Very high89.5Confident76 Ų7676 Ų7636%0.35543%0.426SS..EExtended strand (participates in β ladder)trans-88.1146.4-177.7-61.6178.82300109.7T139 F140 P149T139-Q151 CarbonylContact C-O 3.52Å; T139-Q151 WeakPolarHBondContact CA-O 3.42Å; T139-Q151 VanDerWaalsContact CB-O 3.25Å; T139-Q151 WeakPolarHBondContact CB-O 3.48Å; F140-Q151 HydrophobicContact CD1-CB 4.34Å; F140-Q151 HydrophobicContact CE1-CB 3.98Å; F140-Q151 HydrophobicContact CZ-CB 4.23Å; F140-Q151 PolarHBondContact N-O 3.19Å; F140-Q151 PolarHBondContact O-N 3.06Å; P149-Q151 PolarHBondContact O-N 3.37Å
152A95.7Very high89.4Confident78 Ų7881.1 Ų81.165%0.64545%0.449SS*.EExtended strand (participates in β ladder)trans-70.8139.5174.400000109.9F140F140-A152 WeakPolarHBondContact CE1-O 3.08Å
153C95.1Very high89.5Confident24 Ų2480.8 Ų80.816%0.16245%0.45CS..PPolyproline II helixtrans-66.3142.8177.6-48.80000111.3G138 T139 F140 C166 D171G138-C153 VanDerWaalsContact CA-SG 3.55Å; G138-C153 PolarHBondContact O-N 3.09Å; G138-C153 PolarHBondContact O-SG 2.77Å; T139-C153 PolarHBondContact N-SG 3.01Å; T139-C153 VanDerWaalsContact N-SG 3.41Å; F140-C153 HydrophobicContact CD1-CB 4.44Å; C153-C166 HydrophobicContact CB-CB 3.48Å; C153-C166 VanDerWaalsContact CB-CB 3.48Å; C153-C166 WeakPolarHBondContact CB-SG 3.05Å; C153-C166 WeakPolarHBondContact SG-CB 3.24Å; C153-C166 CovalentContact SG-SG 2Å; C153-C166 PolarHBondContact SG-SG 2.95Å; C153-D171 WeakPolarHBondContact CA-OD1 3.45Å
154S93.8Very high89.8Confident61 Ų6181.3 Ų81.343%0.42745%0.452SS..PPolyproline II helixtrans-62.5146.4168-63.20000110.4D171 T172S154-D171 WeakPolarHBondContact CB-OD2 3.46Å; S154-D171 PolarHBondContact N-OD1 3.43Å; S154-D171 PolarHBondContact N-OD2 3.35Å; S154-D171 PolarHBondContact OG-OD2 2.67Å; S154-T172 WeakPolarHBondContact O-CB 3.34Å; S154-T172 PolarHBondContact O-OG1 3.41Å
155Q93.8Very high90.7Very high187 Ų18778.6 Ų78.687%0.87444%0.443SS*.  trans-111.2131.5173.1-69-178.32.200108.4
156C93.1Very high91.4Very high35 Ų3576.7 Ų76.724%0.23643%0.432CS..  trans-67.5140.7176.1-53.70000110.3E160 C174C156-E160 HydrophobicContact CB-CB 4.07Å; C156-C174 WeakPolarHBondContact CA-SG 3.44Å; C156-C174 HydrophobicContact CB-CB 3.81Å; C156-C174 WeakPolarHBondContact CB-SG 3.23Å; C156-C174 WeakPolarHBondContact SG-CB 3.35Å; C156-C174 CovalentContact SG-SG 2.04Å; C156-C174 PolarHBondContact SG-SG 2Å
157S91.3Very high92.2Very high60 Ų6080.7 Ų80.742%0.4245%0.452SS..  trans-74.9168.2174.464.30000111.9D159 E160S157-D159 PolarHBondContact O-N 3.33Å; S157-D159 VanDerWaalsContact O-N 3.11Å; S157-E160 WeakPolarHBondContact CB-OE2 3.37Å; S157-E160 PolarHBondContact N-OE2 2.73Å; S157-E160 PolarHBondContact O-N 3.48Å; S157-E160 VanDerWaalsContact OG-CD 3.23Å; S157-E160 WeakPolarHBondContact OG-CG 3.4Å; S157-E160 PolarHBondContact OG-OE2 2.59Å
158D88.1Confident92.6Very high152 Ų15279.9 Ų79.981%0.81344%0.443SS*.THydrogen-bonded Turntrans-61.5-20.5-179.5-70.3-35.3000113.5K177D158-K177 PolarHBondContact O-NZ 3.44Å
159D88.9Confident92.9Very high124 Ų12477.9 Ų77.966%0.66344%0.437SS*.THydrogen-bonded Turntrans-91.9-2.6178.1-69.6-43.4000113.4S157 K177S157-D159 PolarHBondContact O-N 3.33Å; S157-D159 VanDerWaalsContact O-N 3.11Å; D159-K177 VanDerWaalsContact O-CB 3.3Å; D159-K177 WeakPolarHBondContact O-CB 3.47Å; D159-K177 VanDerWaalsContact O-CG 3.28Å; D159-K177 WeakPolarHBondContact O-CG 3.13Å; D159-K177 PolarHBondContact O-N 3.3Å
160E91.4Very high92.8Very high55 Ų5575.7 Ų75.726%0.25742%0.418SS..EExtended strand (participates in β ladder)trans-112.2157.9-178.7-68167.1137.200111.5C156 S157 C174 M175 K177C156-E160 HydrophobicContact CB-CB 4.07Å; S157-E160 WeakPolarHBondContact CB-OE2 3.37Å; S157-E160 PolarHBondContact N-OE2 2.73Å; S157-E160 PolarHBondContact O-N 3.48Å; S157-E160 VanDerWaalsContact OG-CD 3.23Å; S157-E160 WeakPolarHBondContact OG-CG 3.4Å; S157-E160 PolarHBondContact OG-OE2 2.59Å; E160-C174 HydrophobicContact CB-CB 4.08Å; E160-C174 HydrophobicContact CG-CB 4.4Å; E160-M175 CarbonylContact C-O 3.56Å; E160-M175 WeakPolarHBondContact CA-O 3.16Å; E160-K177 WeakPolarHBondContact O-CE 3.29Å
161V90.6Very high92.8Very high67 Ų6775.3 Ų75.341%0.40641%0.413SS..EExtended strand (participates in β ladder)trans-113.9132.5171.3-1700000108.4I163 C174 M175 K177V161-I163 HydrophobicContact CB-CD1 4.48Å; V161-I163 PolarHBondContact O-N 3.31Å; V161-C174 WeakPolarHBondContact O-CA 3.43Å; V161-M175 PolarHBondContact N-O 2.97Å; V161-M175 PolarHBondContact O-N 3.4Å; V161-K177 HydrophobicContact CG2-CD 4.2Å; V161-K177 HydrophobicContact CG2-CG 3.41Å; V161-K177 VanDerWaalsContact CG2-CG 3.41Å
162E92.6Very high92.8Very high109 Ų10972.6 Ų72.651%0.50940%0.402SS..EExtended strand (participates in β ladder)trans-68.6113.1169.9-175.1178.8141.900109.5S165 T172E162-S165 WeakPolarHBondContact OE1-CA 3.49Å; E162-S165 WeakPolarHBondContact OE1-CB 3.26Å; E162-S165 PolarHBondContact OE1-N 3.07Å; E162-T172 HydrophobicContact CG-CG2 3.74Å
163I92.6Very high92.8Very high95 Ų9573.4 Ų73.449%0.48740%0.395SS..EExtended strand (participates in β ladder)trans-88.1-33.7175.9-54.9-55.6000110.2V161 L173 M175V161-I163 HydrophobicContact CB-CD1 4.48Å; V161-I163 PolarHBondContact O-N 3.31Å; I163-L173 HydrophobicContact CB-CD2 4.32Å; I163-L173 HydrophobicContact CB-CG 4.45Å; I163-L173 HydrophobicContact CG2-CD2 4.37Å; I163-L173 PolarHBondContact N-O 3.25Å; I163-M175 HydrophobicContact CD1-CB 3.91Å; I163-M175 HydrophobicContact CD1-CE 4.22Å; I163-M175 HydrophobicContact CG1-CB 3.55Å
164Q92.6Very high92.7Very high87 Ų8773.9 Ų73.941%0.40740%0.398SS..EExtended strand (participates in β ladder)trans-142.9126.5-179.3-162.2177.1-4.100110F170 T172 L173Q164-F170 VanDerWaalsContact CD-CE2 3.45Å; Q164-F170 HydrophobicContact CG-CE2 3.71Å; Q164-F170 HydrophobicContact CG-CZ 4.23Å; Q164-T172 WeakPolarHBondContact O-CA 3.5Å; Q164-L173 HydrophobicContact CB-CB 3.79Å; Q164-L173 PolarHBondContact N-O 3.22Å; Q164-L173 PolarHBondContact O-N 2.92Å
165S93.3Very high92.6Very high67 Ų6775.4 Ų75.447%0.46940%0.4SS..  trans-71.9143.3177.363.20000111.7E162 M167 F170E162-S165 WeakPolarHBondContact OE1-CA 3.49Å; E162-S165 WeakPolarHBondContact OE1-CB 3.26Å; E162-S165 PolarHBondContact OE1-N 3.07Å; S165-M167 PolarHBondContact O-N 3.19Å; S165-F170 WeakPolarHBondContact O-CE2 3.4Å
166C94.6Very high92.5Very high33 Ų3371.3 Ų71.322%0.22338%0.384CS..  trans-54.2135.9176.3-168.20000112.7C153 T172C153-C166 HydrophobicContact CB-CB 3.48Å; C153-C166 VanDerWaalsContact CB-CB 3.48Å; C153-C166 WeakPolarHBondContact CB-SG 3.05Å; C153-C166 WeakPolarHBondContact SG-CB 3.24Å; C153-C166 CovalentContact SG-SG 2Å; C153-C166 PolarHBondContact SG-SG 2.95Å; C166-T172 WeakPolarHBondContact CB-OG1 3.21Å
167M92.9Very high92Very high86 Ų8675.9 Ų75.942%0.42440%0.4SS..BIsolated β-bridgetrans-124.7163.7170.8-69.6-169.654.900109.8F140 S165 N169 F170F140-M167 WeakPolarHBondContact CB-O 3.44Å; S165-M167 PolarHBondContact O-N 3.19Å; M167-N169 WeakPolarHBondContact CB-OD1 3.42Å; M167-N169 PolarHBondContact O-N 3.24Å; M167-F170 HydrophobicContact CB-CD1 4.17Å; M167-F170 HydrophobicContact CB-CD2 4.35Å; M167-F170 HydrophobicContact CB-CE1 3.68Å; M167-F170 HydrophobicContact CB-CE2 3.85Å; M167-F170 HydrophobicContact CB-CG 4.48Å; M167-F170 HydrophobicContact CB-CZ 3.51Å; M167-F170 HydrophobicContact CE-CE1 4.47Å; M167-F170 HydrophobicContact CG-CE1 3.91Å; M167-F170 HydrophobicContact CG-CE2 3.81Å; M167-F170 HydrophobicContact CG-CZ 3.32Å; M167-F170 PolarHBondContact N-O 3.43Å; M167-F170 PolarHBondContact O-N 2.93Å; M167-F170 VanDerWaalsContact O-N 3.16Å; M167-F170 HydrophobicContact SD-CE1 3.61Å; M167-F170 HydrophobicContact SD-CE2 4.26Å; M167-F170 HydrophobicContact SD-CZ 3.23Å; M167-F170 WeakPolarHBondContact SD-CZ 3.48Å
168H93.4Very high91.1Very high63 Ų6380.7 Ų80.729%0.29241%0.413SS..THydrogen-bonded Turntrans-50.9-26.4177.364.7-54.2000114.7G117 C135 F140 S141G117-H168 VanDerWaalsContact CA-O 3.25Å; G117-H168 WeakPolarHBondContact CA-O 3.44Å; C135-H168 HydrophobicContact CB-CB 4.11Å; F140-H168 CarbonylContact C-O 3.56Å; F140-H168 WeakPolarHBondContact CA-O 3.01Å; S141-H168 PolarHBondContact N-O 3.48Å
169N93.8Very high89.7Confident52 Ų5279.5 Ų79.528%0.27841%0.406SS..THydrogen-bonded Turntrans-106.8-4.2-174.862-52.8000115.2T116 E142 M167T116-N169 HydrophobicContact CG2-CB 3.9Å; E142-N169 VanDerWaalsContact CG-O 3.29Å; E142-N169 WeakPolarHBondContact CG-O 3.46Å; M167-N169 WeakPolarHBondContact CB-OD1 3.42Å; M167-N169 PolarHBondContact O-N 3.24Å
170F92.6Very high88Confident39 Ų3981.2 Ų81.217%0.17141%0.41CS..BIsolated β-bridgetrans-159.1152176.258.4-99.4000112.2E142 Q164 S165 M167E142-F170 HydrophobicContact CG-CB 4.11Å; E142-F170 VanDerWaalsContact OE1-CA 3.24Å; E142-F170 WeakPolarHBondContact OE1-CA 3.32Å; Q164-F170 VanDerWaalsContact CD-CE2 3.45Å; Q164-F170 HydrophobicContact CG-CE2 3.71Å; Q164-F170 HydrophobicContact CG-CZ 4.23Å; S165-F170 WeakPolarHBondContact O-CE2 3.4Å; M167-F170 HydrophobicContact CB-CD1 4.17Å; M167-F170 HydrophobicContact CB-CD2 4.35Å; M167-F170 HydrophobicContact CB-CE1 3.68Å; M167-F170 HydrophobicContact CB-CE2 3.85Å; M167-F170 HydrophobicContact CB-CG 4.48Å; M167-F170 HydrophobicContact CB-CZ 3.51Å; M167-F170 HydrophobicContact CE-CE1 4.47Å; M167-F170 HydrophobicContact CG-CE1 3.91Å; M167-F170 HydrophobicContact CG-CE2 3.81Å; M167-F170 HydrophobicContact CG-CZ 3.32Å; M167-F170 PolarHBondContact N-O 3.43Å; M167-F170 PolarHBondContact O-N 2.93Å; M167-F170 VanDerWaalsContact O-N 3.16Å; M167-F170 HydrophobicContact SD-CE1 3.61Å; M167-F170 HydrophobicContact SD-CE2 4.26Å; M167-F170 HydrophobicContact SD-CZ 3.23Å; M167-F170 WeakPolarHBondContact SD-CZ 3.48Å
171D95Very high86.1Confident31 Ų3186 Ų8617%0.16644%0.436CS..PPolyproline II helixtrans-72.7166.1-178.6-154.71000113.5F140 E142 C153 S154 L173F140-D171 HydrophobicContact CD1-CB 4.08Å; F140-D171 HydrophobicContact CD2-CB 4.12Å; F140-D171 HydrophobicContact CE1-CB 3.63Å; F140-D171 WeakPolarHBondContact CE1-OD1 3.47Å; F140-D171 HydrophobicContact CE2-CB 3.68Å; F140-D171 HydrophobicContact CG-CB 4.31Å; F140-D171 HydrophobicContact CZ-CB 3.42Å; F140-D171 VanDerWaalsContact CZ-CB 3.42Å; F140-D171 VanDerWaalsContact CZ-CG 3.46Å; E142-D171 PolarHBondContact OE1-N 3.28Å; C153-D171 WeakPolarHBondContact CA-OD1 3.45Å; S154-D171 WeakPolarHBondContact CB-OD2 3.46Å; S154-D171 PolarHBondContact N-OD1 3.43Å; S154-D171 PolarHBondContact N-OD2 3.35Å; S154-D171 PolarHBondContact OG-OD2 2.67Å; D171-L173 PolarHBondContact O-N 2.87Å
172T94.4Very high83.7Confident20 Ų2085.1 Ų85.112%0.12344%0.44CS..PPolyproline II helixtrans-58.9129.5167.4-46.50000110.4S154 E162 Q164 C166S154-T172 WeakPolarHBondContact O-CB 3.34Å; S154-T172 PolarHBondContact O-OG1 3.41Å; E162-T172 HydrophobicContact CG-CG2 3.74Å; Q164-T172 WeakPolarHBondContact O-CA 3.5Å; C166-T172 WeakPolarHBondContact CB-OG1 3.21Å
173L94.6Very high81.4Confident94 Ų9486 Ų8649%0.49246%0.455SS..EExtended strand (participates in β ladder)trans-98.6116.7174-173.766.8000110.1I163 Q164 D171I163-L173 HydrophobicContact CB-CD2 4.32Å; I163-L173 HydrophobicContact CB-CG 4.45Å; I163-L173 HydrophobicContact CG2-CD2 4.37Å; I163-L173 PolarHBondContact N-O 3.25Å; Q164-L173 HydrophobicContact CB-CB 3.79Å; Q164-L173 PolarHBondContact N-O 3.22Å; Q164-L173 PolarHBondContact O-N 2.92Å; D171-L173 PolarHBondContact O-N 2.87Å
174C94.1Very high79Confident34 Ų3486.1 Ų86.123%0.2347%0.47CS..EExtended strand (participates in β ladder)trans-106.7143.8179.2-530000110.7C156 E160 V161C156-C174 WeakPolarHBondContact CA-SG 3.44Å; C156-C174 HydrophobicContact CB-CB 3.81Å; C156-C174 WeakPolarHBondContact CB-SG 3.23Å; C156-C174 WeakPolarHBondContact SG-CB 3.35Å; C156-C174 CovalentContact SG-SG 2.04Å; C156-C174 PolarHBondContact SG-SG 2Å; E160-C174 HydrophobicContact CB-CB 4.08Å; E160-C174 HydrophobicContact CG-CB 4.4Å; V161-C174 WeakPolarHBondContact O-CA 3.43Å
175M91.6Very high76.5Confident94 Ų9485.4 Ų85.446%0.46349%0.486SS..EExtended strand (participates in β ladder)trans-134.1134.9174.6-168.1161.485.400111E160 V161 I163 K177 L179E160-M175 CarbonylContact C-O 3.56Å; E160-M175 WeakPolarHBondContact CA-O 3.16Å; V161-M175 PolarHBondContact N-O 2.97Å; V161-M175 PolarHBondContact O-N 3.4Å; I163-M175 HydrophobicContact CD1-CB 3.91Å; I163-M175 HydrophobicContact CD1-CE 4.22Å; I163-M175 HydrophobicContact CG1-CB 3.55Å; M175-K177 PolarHBondContact O-N 2.97Å; M175-L179 HydrophobicContact CE-CD1 4.33Å
176D90.7Very high74.5Confident100 Ų10087.3 Ų87.354%0.53551%0.506SS..EExtended strand (participates in β ladder)trans-58.1135.3-179.5-67.9-51000112.4K178D176-K178 PolarHBondContact O-N 3.41Å
177K83.6Confident72.2Confident131 Ų13193.3 Ų93.357%0.5754%0.536SS*.SBendtrans-62.8-22.4174.2-72.6170.3-177.5164.90112.5D158 D159 E160 V161 M175 L179D158-K177 PolarHBondContact O-NZ 3.44Å; D159-K177 VanDerWaalsContact O-CB 3.3Å; D159-K177 WeakPolarHBondContact O-CB 3.47Å; D159-K177 VanDerWaalsContact O-CG 3.28Å; D159-K177 WeakPolarHBondContact O-CG 3.13Å; D159-K177 PolarHBondContact O-N 3.3Å; E160-K177 WeakPolarHBondContact O-CE 3.29Å; V161-K177 HydrophobicContact CG2-CD 4.2Å; V161-K177 HydrophobicContact CG2-CG 3.41Å; V161-K177 VanDerWaalsContact CG2-CG 3.41Å; M175-K177 PolarHBondContact O-N 2.97Å; K177-L179 VanDerWaalsContact C-N 3.35Å; K177-L179 PolarHBondContact O-N 3.26Å; K177-L179 VanDerWaalsContact O-N 3.16Å
178K71.6Confident69.6Low161 Ų16192.5 Ų92.570%0.755%0.549SS*.  trans-86.673.5175.4-100.7-179.9178169.60111D176 H180D176-K178 PolarHBondContact O-N 3.41Å; K178-H180 VanDerWaalsContact C-N 3.3Å; K178-H180 PolarHBondContact O-N 2.03Å
179L59.9Low67.2Low127 Ų12795.1 Ų95.167%0.66557%0.57SS**  trans-65.6101.4149.2-77.9167.3000106.8M175 K177 I181M175-L179 HydrophobicContact CE-CD1 4.33Å; K177-L179 VanDerWaalsContact C-N 3.35Å; K177-L179 PolarHBondContact O-N 3.26Å; K177-L179 VanDerWaalsContact O-N 3.16Å; L179-I181 PolarHBondContact O-N 3.13Å
180H51.8Low64.5Low161 Ų161100.1 Ų100.175%0.74560%0.596SS**  trans-62.783.5164.8-73.1-72.7000108.2K178 G182K178-H180 VanDerWaalsContact C-N 3.3Å; K178-H180 PolarHBondContact O-N 2.03Å; H180-G182 PolarHBondContact O-N 3.08Å
181I52.8Low61.9Low156 Ų156105 Ų10580%0.862%0.624SS**  trans-64.689149.1-57174000103.6L179L179-I181 PolarHBondContact O-N 3.13Å
182G39.1Very low59.4Low48 Ų48110.9 Ų110.950%0.49565%0.653SS.*  trans-50.6138164.800000107.1H180 A184H180-G182 PolarHBondContact O-N 3.08Å; G182-A184 PolarHBondContact O-N 3.24Å
183P44.2Very low56.8Low128 Ų128115.7 Ų115.783%0.83169%0.685SS**  trans-55.1118.2178.523.1-30000106.4G185P183-G185 VanDerWaalsContact C-N 3.31Å; P183-G185 PolarHBondContact O-N 2.69Å
184A41.6Very low54Low97 Ų97119.4 Ų119.480%0.80271%0.705SS**  trans-53.4106.217000000105.7G182 A186G182-A184 PolarHBondContact O-N 3.24Å; A184-A186 PolarHBondContact O-N 3.44Å; A184-A186 VanDerWaalsContact O-N 3.08Å
185G41.5Very low51Low71 Ų71121.3 Ų121.373%0.73273%0.731SS**  trans-53.5119.517100000106.5P183 D187P183-G185 VanDerWaalsContact C-N 3.31Å; P183-G185 PolarHBondContact O-N 2.69Å; G185-D187 PolarHBondContact O-N 3.04Å
186A49.7Very low48.1Very low107 Ų107121.3 Ų121.388%0.88475%0.746SS**SBendtrans-55.1107.1167.400000108A184A184-A186 PolarHBondContact O-N 3.44Å; A184-A186 VanDerWaalsContact O-N 3.08Å
187D47.6Very low45.3Very low160 Ų160122.6 Ų122.686%0.85676%0.757SS**  trans174.3129.4132.9-16210.4000109G185G185-D187 PolarHBondContact O-N 3.04Å
188G37.9Very low42.9Very low68 Ų68123.8 Ų123.870%0.70177%0.766SS**  trans144.168.2177.600000115.2L190G188-L190 PolarHBondContact O-N 3.04Å
189T43.1Very low41.1Very low118 Ų118123.9 Ų123.972%0.72477%0.77SS**  trans-45.4120.4165.9-48.40000112.4
190L37.8Very low39.8Very low158 Ų158125.2 Ų125.283%0.82777%0.772SS**  trans-144.4112.7156.2-136.3150.3000111.1G188G188-L190 PolarHBondContact O-N 3.04Å
191N38.3Very low38.9Very low141 Ų141124.4 Ų124.475%0.75477%0.773SS**  trans-64.7131.3-178.8-58.1-74.2000112
192I42.1Very low38.3Very low155 Ų155125.7 Ų125.780%0.79578%0.776SS**  trans-139.2138.9151.4-62.9-172000108.1
193P38.8Very low37.8Very low121 Ų121133 Ų13379%0.78680%0.797SS**  trans-85.7149.6-158.26.411.5000114.2
194N35.5Very low37.4Very low171 Ų171136.1 Ų136.191%0.91480%0.801SS**  trans-51.1140.2168.6-79.4-19.7000113.8
195G32.3Very low36.8Very low75 Ų75139.3 Ų139.377%0.77381%0.805SS**  trans-160.7101.2160.500000112.3
196A30.5Very low36.2Very low94 Ų94138.9 Ų138.978%0.77780%0.8SS**  trans68.8109.1161.300000118.1
197V32.2Very low35.6Very low127 Ų127139.6 Ų139.677%0.7780%0.798SS**  66.3114.956.1-169.50000108
198M32.7Very low35.1Very low155 Ų155137.8 Ų137.876%0.76480%0.795SS**  cis-154.3140.633.7-74.8177.3-8800108.5
199E34.6Very low34.9Very low164 Ų164139.1 Ų139.177%0.76680%0.8SS**  50.9131.292.9-73.1179.3171.600112.7
200E32.8Very low34.7Very low154 Ų154139.6 Ų139.672%0.7281%0.805SS**  cis-175.1164.133.4-132.6172.4179.500110.3
201N31.1Very low34.4Very low144 Ų144135.2 Ų135.277%0.7780%0.798SS**  trans112.696150.2-61.4-26.1000118.9
202E40.2Very low35.2Very low184 Ų184134.9 Ų134.986%0.8680%0.804SS**  trans-61.4151.5147-56.6175.5127.600110.7
203E29.9Very low34.6Very low200 Ų200132.8 Ų132.894%0.93580%0.803SS**  -163.2129.8126.6-107.7173.8-172.700109.9
204E34.9Very low34Very low194 Ų194136.3 Ų136.391%0.90781%0.806SS**  trans-62.9157.6172.2-65.4177.5119.500111.9
205D28.6Very low34Very low165 Ų165138 Ų13888%0.88281%0.805SS**  175143.4109.7-164.918.6000112.1
206G29.9Very low33.9Very low61 Ų61140.2 Ų140.263%0.62980%0.804SS**  trans75.599.213800000120.6
207S36.2Very low34.4Very low123 Ų123142 Ų14286%0.8681%0.808SS**  trans-69.6151.1145.3-69.80000110.2
208P38.8Very low34.5Very low122 Ų122144.8 Ų144.879%0.79281%0.812SS**  -147.8160.68834.7-15.4000115.5
209A33.7Very low34.7Very low96 Ų96144.6 Ų144.679%0.79381%0.814SS**  trans-58.2158.3171.900000113.7
210P37.3Very low35.3Very low127 Ų127145.5 Ų145.583%0.82582%0.819SS**  -139.3159.4122.732.4-16.1000114
211G32.1Very low36.1Very low67 Ų67140.9 Ų140.969%0.69181%0.812SS**  trans-74.9-160.9-178.300000116.4
212P55.1Low37.1Very low134 Ų134136.3 Ų136.387%0.8780%0.799SS**  trans-89.3144.7-139.735.1-36000113.5
213S29Very low38Very low111 Ų111130.7 Ų130.778%0.77678%0.78SS**  trans-147.7114.3167.956.90000113.6
214K25.7Very low39.6Very low195 Ų195126.7 Ų126.785%0.84877%0.765SS**  84.8102123.7-150.3168.2-174.1177.30117.9
215F36.8Very low41.1Very low206 Ų206122.5 Ų122.590%0.90475%0.749SS**  trans-37.3128.6151-79-97.5000113
216T29.8Very low43.4Very low122 Ų122120.2 Ų120.275%0.74874%0.735SS**  trans-126.6131.314839.70000108.2Q218T216-Q218 PolarHBondContact O-N 3.43Å
217P41.5Very low45.7Very low131 Ų131122.4 Ų122.485%0.85173%0.732SS**  trans-72.9121.7171.268.9000108.6
218Q34.6Very low48.1Very low186 Ų186120.5 Ų120.587%0.86972%0.715SS**  trans-95.4112.5172.4-153173.713.200108.2T216T216-Q218 PolarHBondContact O-N 3.43Å
219D35.4Very low50.4Low151 Ų151122.3 Ų122.381%0.80771%0.707SS**  trans35.8111.8155.8-102-51.8000119.8G221D219-G221 PolarHBondContact O-N 2.98Å
220E47.7Very low53Low183 Ų183121.9 Ų121.986%0.85569%0.694SS**  trans-60.690.2158.3-76.9-172.4110.600111.1
221G49.9Very low55.6Low57 Ų57119.5 Ų119.559%0.58868%0.681SS**  trans-125.75.117300000115.3D219D219-G221 PolarHBondContact O-N 2.98Å
222G52.3Low58.5Low47 Ų47120.2 Ų120.249%0.48567%0.672SS.*SBendtrans-99.8-19.9-172.400000116.1
223S58.3Low60.4Low67 Ų67119.1 Ų119.147%0.46966%0.658SS.*Hα-helixtrans-78.7-27.8-167.8-47.30000113.7L227S223-L227 WeakPolarHBondContact O-CB 2.92Å; S223-L227 WeakPolarHBondContact O-CD1 3.27Å; S223-L227 WeakPolarHBondContact O-CG 3.42Å; S223-L227 PolarHBondContact O-N 3.41Å; S223-L227 VanDerWaalsContact O-N 3.15Å
224N63.8Low63.4Low115 Ų115116.1 Ų116.162%0.61564%0.64SS**Hα-helixtrans-77.5-32.5-173.7-65.1-33.2000112.9V228N224-V228 WeakPolarHBondContact O-CB 3.37Å; N224-V228 WeakPolarHBondContact O-CG2 3.16Å; N224-V228 PolarHBondContact O-N 3.16Å
225N66.3Low66.7Low106 Ų106109.8 Ų109.857%0.56762%0.624SS**Hα-helixtrans-67.4-43.4176-82.3-40.7000111V228 Y229N225-V228 PolarHBondContact O-N 2.86Å; N225-Y229 WeakPolarHBondContact O-CD2 3.44Å; N225-Y229 PolarHBondContact O-N 3.11Å
226I76.9Confident69.5Low117 Ų117103.8 Ų103.860%0.660%0.604SS**Hα-helixtrans-64-45.1178.7-60.9169.1000110.4V228 Y229 V230I226-V228 VanDerWaalsContact C-N 3.32Å; I226-V228 PolarHBondContact O-N 2.82Å; I226-Y229 PolarHBondContact O-N 2.89Å; I226-V230 HydrophobicContact CG2-CG2 4.29Å; I226-V230 WeakPolarHBondContact O-CB 3.21Å; I226-V230 VanDerWaalsContact O-CG2 3.23Å; I226-V230 WeakPolarHBondContact O-CG2 3.05Å; I226-V230 PolarHBondContact O-N 2.93Å
227L77.4Confident72.7Confident107 Ų107101.8 Ų101.856%0.5659%0.592SS**Hα-helixtrans-61.9-38.2175.9-77.5165.3000112.5S223 S231S223-L227 WeakPolarHBondContact O-CB 2.92Å; S223-L227 WeakPolarHBondContact O-CD1 3.27Å; S223-L227 WeakPolarHBondContact O-CG 3.42Å; S223-L227 PolarHBondContact O-N 3.41Å; S223-L227 VanDerWaalsContact O-N 3.15Å; L227-S231 VanDerWaalsContact O-CB 3.26Å; L227-S231 WeakPolarHBondContact O-CB 3.45Å; L227-S231 PolarHBondContact O-N 3.47Å; L227-S231 PolarHBondContact O-OG 3.16Å
228V87.1Confident75.3Confident84 Ų84100.9 Ų100.951%0.50958%0.579SS.*Hα-helixtrans-66.4-45.4175.1170.20000110.9N224 N225 I226 V230 S231 V232N224-V228 WeakPolarHBondContact O-CB 3.37Å; N224-V228 WeakPolarHBondContact O-CG2 3.16Å; N224-V228 PolarHBondContact O-N 3.16Å; N225-V228 PolarHBondContact O-N 2.86Å; I226-V228 VanDerWaalsContact C-N 3.32Å; I226-V228 PolarHBondContact O-N 2.82Å; V228-V230 PolarHBondContact O-N 2.81Å; V228-S231 PolarHBondContact O-N 3.01Å; V228-V232 HydrophobicContact CG1-CG2 4.42Å; V228-V232 WeakPolarHBondContact O-CB 3.19Å; V228-V232 VanDerWaalsContact O-CG2 3.28Å; V228-V232 WeakPolarHBondContact O-CG2 3.02Å; V228-V232 PolarHBondContact O-N 2.86Å
229Y87.2Confident78.2Confident160 Ų16094 Ų9463%0.62756%0.558SS**Hα-helixtrans-61.8-44.1176.3-83.7-70.4000112.5N225 I226 S231 V232 L233N225-Y229 WeakPolarHBondContact O-CD2 3.44Å; N225-Y229 PolarHBondContact O-N 3.11Å; I226-Y229 PolarHBondContact O-N 2.89Å; Y229-S231 VanDerWaalsContact C-N 3.32Å; Y229-S231 PolarHBondContact O-N 3.46Å; Y229-V232 PolarHBondContact O-N 3.45Å; Y229-L233 WeakPolarHBondContact O-CB 3.43Å; Y229-L233 WeakPolarHBondContact O-CG 3.05Å; Y229-L233 PolarHBondContact O-N 3.45Å
230V88.8Confident81Confident86 Ų8691.7 Ų91.752%0.52155%0.545SS..Hα-helixtrans-64.3-39.9177.51730000110.8I226 V228 L233 A234I226-V230 HydrophobicContact CG2-CG2 4.29Å; I226-V230 WeakPolarHBondContact O-CB 3.21Å; I226-V230 VanDerWaalsContact O-CG2 3.23Å; I226-V230 WeakPolarHBondContact O-CG2 3.05Å; I226-V230 PolarHBondContact O-N 2.93Å; V228-V230 PolarHBondContact O-N 2.81Å; V230-L233 PolarHBondContact O-N 3.04Å; V230-A234 VanDerWaalsContact O-CB 3.32Å; V230-A234 WeakPolarHBondContact O-CB 3.4Å; V230-A234 PolarHBondContact O-N 2.95Å
231S90.9Very high83.3Confident77 Ų7788.2 Ų88.254%0.53853%0.532SS..Hα-helixtrans-65.8-41.7176.5-59.90000112.3L227 V228 Y229 A235L227-S231 VanDerWaalsContact O-CB 3.26Å; L227-S231 WeakPolarHBondContact O-CB 3.45Å; L227-S231 PolarHBondContact O-N 3.47Å; L227-S231 PolarHBondContact O-OG 3.16Å; V228-S231 PolarHBondContact O-N 3.01Å; Y229-S231 VanDerWaalsContact C-N 3.32Å; Y229-S231 PolarHBondContact O-N 3.46Å; S231-A235 PolarHBondContact O-N 3.45Å
232V93.8Very high85.5Confident83 Ų8390.3 Ų90.350%0.50353%0.533SS..Hα-helixtrans-67.5-43.7176.8171.70000111V228 Y229 A234 A235 V236V228-V232 HydrophobicContact CG1-CG2 4.42Å; V228-V232 WeakPolarHBondContact O-CB 3.19Å; V228-V232 VanDerWaalsContact O-CG2 3.28Å; V228-V232 WeakPolarHBondContact O-CG2 3.02Å; V228-V232 PolarHBondContact O-N 2.86Å; Y229-V232 PolarHBondContact O-N 3.45Å; V232-A234 PolarHBondContact O-N 3.17Å; V232-A235 PolarHBondContact O-N 3.21Å; V232-V236 WeakPolarHBondContact O-CG2 3.35Å; V232-V236 PolarHBondContact O-N 3.47Å
233L94Very high87.5Confident110 Ų11094.6 Ų94.658%0.57654%0.536SS*.Hα-helixtrans-61.7-43.5176.1-78.6167.9000111.6Y229 V230 A235 V236 V237Y229-L233 WeakPolarHBondContact O-CB 3.43Å; Y229-L233 WeakPolarHBondContact O-CG 3.05Å; Y229-L233 PolarHBondContact O-N 3.45Å; V230-L233 PolarHBondContact O-N 3.04Å; L233-A235 VanDerWaalsContact C-N 3.33Å; L233-A235 PolarHBondContact O-N 3.45Å; L233-V236 PolarHBondContact O-N 3.46Å; L233-V237 VanDerWaalsContact O-CG2 3.31Å; L233-V237 WeakPolarHBondContact O-CG2 3.2Å; L233-V237 PolarHBondContact O-N 3.32Å
234A92.9Very high89.3Confident48 Ų4895.3 Ų95.340%0.39754%0.537SS..Hα-helixtrans-60.4-41.8175.700000111.9V230 V232 V237 L238V230-A234 VanDerWaalsContact O-CB 3.32Å; V230-A234 WeakPolarHBondContact O-CB 3.4Å; V230-A234 PolarHBondContact O-N 2.95Å; V232-A234 PolarHBondContact O-N 3.17Å; A234-V237 PolarHBondContact O-N 3.34Å; A234-L238 WeakPolarHBondContact O-CB 3.45Å; A234-L238 VanDerWaalsContact O-CG 3.31Å; A234-L238 WeakPolarHBondContact O-CG 3.48Å; A234-L238 PolarHBondContact O-N 3.15Å
235A95.2Very high90.8Very high63 Ų6392.6 Ų92.652%0.52153%0.531SS..Hα-helixtrans-64.6-40.3176.700000112.6S231 V232 L233 G239S231-A235 PolarHBondContact O-N 3.45Å; V232-A235 PolarHBondContact O-N 3.21Å; L233-A235 VanDerWaalsContact C-N 3.33Å; L233-A235 PolarHBondContact O-N 3.45Å; A235-G239 PolarHBondContact O-N 3.04Å
236V96.2Very high92.2Very high80 Ų8094.1 Ų94.149%0.48553%0.53SS..Hα-helixtrans-65-45176.1172.30000111V232 L233 G239 L240V232-V236 WeakPolarHBondContact O-CG2 3.35Å; V232-V236 PolarHBondContact O-N 3.47Å; L233-V236 PolarHBondContact O-N 3.46Å; V236-G239 PolarHBondContact O-N 3.29Å; V236-L240 HydrophobicContact CG1-CD1 4.24Å; V236-L240 WeakPolarHBondContact O-CG 3.34Å; V236-L240 PolarHBondContact O-N 3.07Å
237V95.7Very high92.9Very high80 Ų8094.8 Ų94.849%0.48553%0.528SS..Hα-helixtrans-63.3-45.1178.2173.20000110.8L233 A234 G239 L240 L241L233-V237 VanDerWaalsContact O-CG2 3.31Å; L233-V237 WeakPolarHBondContact O-CG2 3.2Å; L233-V237 PolarHBondContact O-N 3.32Å; A234-V237 PolarHBondContact O-N 3.34Å; V237-G239 VanDerWaalsContact C-N 3.33Å; V237-G239 PolarHBondContact O-N 2.87Å; V237-L240 PolarHBondContact O-N 3.36Å; V237-L241 HydrophobicContact CG1-CD1 4.2Å; V237-L241 WeakPolarHBondContact O-CG 3.48Å; V237-L241 PolarHBondContact O-N 3.03Å
238L96.1Very high93.5Very high111 Ų11193.1 Ų93.158%0.58152%0.524SS*.Hα-helixtrans-60.6-41.8174.6-75.2169.5000111.8A234 L240 L241 V242A234-L238 WeakPolarHBondContact O-CB 3.45Å; A234-L238 VanDerWaalsContact O-CG 3.31Å; A234-L238 WeakPolarHBondContact O-CG 3.48Å; A234-L238 PolarHBondContact O-N 3.15Å; L238-L240 PolarHBondContact O-N 3.02Å; L238-L241 PolarHBondContact O-N 3.38Å; L238-V242 VanDerWaalsContact O-CG2 3.31Å; L238-V242 WeakPolarHBondContact O-CG2 3.25Å; L238-V242 PolarHBondContact O-N 3.46Å
239G95.6Very high93.6Very high42 Ų4298 Ų9843%0.43353%0.534SS..Hα-helixtrans-60.3-42.9175.100000113A235 V236 V237 V242 Y243A235-G239 PolarHBondContact O-N 3.04Å; V236-G239 PolarHBondContact O-N 3.29Å; V237-G239 VanDerWaalsContact C-N 3.33Å; V237-G239 PolarHBondContact O-N 2.87Å; G239-V242 PolarHBondContact O-N 3.22Å; G239-Y243 WeakPolarHBondContact O-CB 3.43Å; G239-Y243 PolarHBondContact O-N 3.01Å
240L95.2Very high93.7Very high103 Ų10397.2 Ų97.254%0.53953%0.53SS..Hα-helixtrans-67-41.2176.7-71.3174.4000112.1V236 V237 L238 Y243 V244V236-L240 HydrophobicContact CG1-CD1 4.24Å; V236-L240 WeakPolarHBondContact O-CG 3.34Å; V236-L240 PolarHBondContact O-N 3.07Å; V237-L240 PolarHBondContact O-N 3.36Å; L238-L240 PolarHBondContact O-N 3.02Å; L240-Y243 PolarHBondContact O-N 3.17Å; L240-V244 VanDerWaalsContact O-CG2 3.3Å; L240-V244 WeakPolarHBondContact O-CG2 3.46Å; L240-V244 PolarHBondContact O-N 3.22Å
241L95Very high93.6Very high109 Ų10995.5 Ų95.557%0.57152%0.522SS*.Hα-helixtrans-62.7-44175.9-70.7174.9000111.5V237 L238 Y243 V244 A245V237-L241 HydrophobicContact CG1-CD1 4.2Å; V237-L241 WeakPolarHBondContact O-CG 3.48Å; V237-L241 PolarHBondContact O-N 3.03Å; L238-L241 PolarHBondContact O-N 3.38Å; L241-Y243 VanDerWaalsContact C-N 3.35Å; L241-V244 PolarHBondContact O-N 3.03Å; L241-A245 VanDerWaalsContact O-CB 3.32Å; L241-A245 WeakPolarHBondContact O-CB 3.2Å; L241-A245 PolarHBondContact O-N 3.38Å
242V96.1Very high93.1Very high102 Ų10295.2 Ų95.262%0.61852%0.519SS*.Hα-helixtrans-63.9-40.6174.7172.30000111L238 G239 A245 Y246L238-V242 VanDerWaalsContact O-CG2 3.31Å; L238-V242 WeakPolarHBondContact O-CG2 3.25Å; L238-V242 PolarHBondContact O-N 3.46Å; G239-V242 PolarHBondContact O-N 3.22Å; V242-A245 PolarHBondContact O-N 3.44Å; V242-Y246 VanDerWaalsContact O-CB 3.27Å; V242-Y246 WeakPolarHBondContact O-CB 3.18Å; V242-Y246 PolarHBondContact O-N 3.33Å
243Y95.6Very high92.5Very high137 Ų13798.3 Ų98.354%0.53753%0.525SS..Hα-helixtrans-63.9-44.3176.7175.7-104000112.4G239 L240 L241 Y246 K247G239-Y243 WeakPolarHBondContact O-CB 3.43Å; G239-Y243 PolarHBondContact O-N 3.01Å; L240-Y243 PolarHBondContact O-N 3.17Å; L241-Y243 VanDerWaalsContact C-N 3.35Å; Y243-Y246 PolarHBondContact O-N 3.22Å; Y243-K247 HydrophobicContact CE1-CD 4.5Å; Y243-K247 WeakPolarHBondContact O-CB 3.39Å; Y243-K247 PolarHBondContact O-N 3.35Å
244V95.9Very high91.5Very high81 Ų8199 Ų9949%0.49153%0.526SS..Hα-helixtrans-63.9-45.9175.7172.50000110.2L240 L241 Y246 K247 C248L240-V244 VanDerWaalsContact O-CG2 3.3Å; L240-V244 WeakPolarHBondContact O-CG2 3.46Å; L240-V244 PolarHBondContact O-N 3.22Å; L241-V244 PolarHBondContact O-N 3.03Å; V244-Y246 VanDerWaalsContact C-N 3.33Å; V244-Y246 PolarHBondContact O-N 3.34Å; V244-K247 PolarHBondContact O-N 2.98Å; V244-C248 WeakPolarHBondContact O-CB 3.25Å; V244-C248 PolarHBondContact O-N 2.9Å; V244-C248 PolarHBondContact O-SG 2.83Å; V244-C248 VanDerWaalsContact O-SG 3.37Å
245A94.1Very high90.7Very high59 Ų59104 Ų10449%0.48854%0.538SS..Hα-helixtrans-60.2-42.2175.800000111.8L241 V242 C248 W249L241-A245 VanDerWaalsContact O-CB 3.32Å; L241-A245 WeakPolarHBondContact O-CB 3.2Å; L241-A245 PolarHBondContact O-N 3.38Å; V242-A245 PolarHBondContact O-N 3.44Å; A245-C248 PolarHBondContact O-N 3.04Å; A245-W249 WeakPolarHBondContact O-CB 3.42Å; A245-W249 PolarHBondContact O-N 3.43Å
246Y95.8Very high89.6Confident138 Ų138107.9 Ų107.954%0.54154%0.544SS..Hα-helixtrans-64.4-41.4175.1177.9-104.8000112.1V242 Y243 V244 W249 R250V242-Y246 VanDerWaalsContact O-CB 3.27Å; V242-Y246 WeakPolarHBondContact O-CB 3.18Å; V242-Y246 PolarHBondContact O-N 3.33Å; Y243-Y246 PolarHBondContact O-N 3.22Å; V244-Y246 VanDerWaalsContact C-N 3.33Å; V244-Y246 PolarHBondContact O-N 3.34Å; Y246-W249 PolarHBondContact O-N 2.71Å; Y246-R250 VanDerWaalsContact O-CB 3.31Å; Y246-R250 WeakPolarHBondContact O-CB 3.46Å; Y246-R250 PolarHBondContact O-N 2.02Å
247K93.3Very high88.3Confident131 Ų131107.2 Ų107.257%0.5755%0.547SS*.Hα-helixtrans-69.2-41.5177.7-163.4-179.2-176.9-179.40111.5Y243 V244 R250 S251Y243-K247 HydrophobicContact CE1-CD 4.5Å; Y243-K247 WeakPolarHBondContact O-CB 3.39Å; Y243-K247 PolarHBondContact O-N 3.35Å; V244-K247 PolarHBondContact O-N 2.98Å; K247-R250 PolarHBondContact O-N 3.47Å; K247-S251 VanDerWaalsContact O-CB 3.25Å; K247-S251 WeakPolarHBondContact O-CB 3.36Å; K247-S251 PolarHBondContact O-N 3.42Å
248C88.8Confident86.7Confident71 Ų71108.5 Ų108.548%0.4855%0.55SS..Hα-helixtrans-61.8-44.1171.4-750000110.9V244 A245 S251 C252V244-C248 WeakPolarHBondContact O-CB 3.25Å; V244-C248 PolarHBondContact O-N 2.9Å; V244-C248 PolarHBondContact O-SG 2.83Å; V244-C248 VanDerWaalsContact O-SG 3.37Å; A245-C248 PolarHBondContact O-N 3.04Å; C248-S251 PolarHBondContact O-N 3.15Å; C248-C252 VanDerWaalsContact O-CB 3.27Å; C248-C252 WeakPolarHBondContact O-CB 3.48Å; C248-C252 PolarHBondContact O-N 2.76Å; C248-C252 PolarHBondContact O-SG 3.35Å
249W89.7Confident85.2Confident187 Ų187106 Ų10671%0.70854%0.542SS*.Hα-helixtrans-61-46.4175.4-177.6-89.8000111.7A245 Y246 C252 K253A245-W249 WeakPolarHBondContact O-CB 3.42Å; A245-W249 PolarHBondContact O-N 3.43Å; Y246-W249 PolarHBondContact O-N 2.71Å; W249-C252 PolarHBondContact O-N 2.85Å; W249-K253 VanDerWaalsContact O-CB 3.27Å; W249-K253 WeakPolarHBondContact O-CB 3.44Å; W249-K253 PolarHBondContact O-N 2.88Å
250R90.1Very high83.9Confident144 Ų144111.9 Ų111.954%0.54356%0.555SS.*Hα-helixtrans-65.1-39.5177.7-167.7175.1-178.1179.91.6111.6Y246 K247 K253 Q254Y246-R250 VanDerWaalsContact O-CB 3.31Å; Y246-R250 WeakPolarHBondContact O-CB 3.46Å; Y246-R250 PolarHBondContact O-N 2.02Å; K247-R250 PolarHBondContact O-N 3.47Å; R250-K253 PolarHBondContact O-N 2.85Å; R250-Q254 WeakPolarHBondContact O-CG 3.4Å; R250-Q254 PolarHBondContact O-N 3.43Å
251S85.6Confident82.2Confident50 Ų50109.8 Ų109.835%0.3555%0.553SS.*Hα-helixtrans-68.6-43.1176-1650000111.8K247 C248 K253 Q254 K255K247-S251 VanDerWaalsContact O-CB 3.25Å; K247-S251 WeakPolarHBondContact O-CB 3.36Å; K247-S251 PolarHBondContact O-N 3.42Å; C248-S251 PolarHBondContact O-N 3.15Å; S251-K253 VanDerWaalsContact C-N 3.31Å; S251-K253 PolarHBondContact O-N 3.03Å; S251-Q254 PolarHBondContact O-N 2.93Å; S251-K255 WeakPolarHBondContact O-CG 3.49Å; S251-K255 PolarHBondContact O-N 3.5Å
252C81.1Confident80.5Confident70 Ų70113.3 Ų113.347%0.47356%0.559SS.*Hα-helixtrans-62.3-37.4171.8-73.20000111.8C248 W249 K255 K256C248-C252 VanDerWaalsContact O-CB 3.27Å; C248-C252 WeakPolarHBondContact O-CB 3.48Å; C248-C252 PolarHBondContact O-N 2.76Å; C248-C252 PolarHBondContact O-SG 3.35Å; W249-C252 PolarHBondContact O-N 2.85Å; C252-K255 PolarHBondContact O-N 3.42Å; C252-K256 WeakPolarHBondContact O-CB 3.03Å; C252-K256 VanDerWaalsContact O-CG 3.31Å; C252-K256 WeakPolarHBondContact O-CG 3.42Å; C252-K256 PolarHBondContact O-N 2.04Å
253K80.8Confident78.8Confident148 Ų148113.6 Ų113.664%0.64356%0.561SS**Hα-helixtrans-65.9-40.5175-168.2175.7-178.4-179.20111.5W249 R250 S251 A257W249-K253 VanDerWaalsContact O-CB 3.27Å; W249-K253 WeakPolarHBondContact O-CB 3.44Å; W249-K253 PolarHBondContact O-N 2.88Å; R250-K253 PolarHBondContact O-N 2.85Å; S251-K253 VanDerWaalsContact C-N 3.31Å; S251-K253 PolarHBondContact O-N 3.03Å; K253-A257 PolarHBondContact O-N 3.4Å
254Q73.5Confident77Confident126 Ų126110.1 Ų110.159%0.58956%0.56SS**Hα-helixtrans-65-43.6172.9-76176.7-25.300112R250 S251 K256 A257 L258R250-Q254 WeakPolarHBondContact O-CG 3.4Å; R250-Q254 PolarHBondContact O-N 3.43Å; S251-Q254 PolarHBondContact O-N 2.93Å; Q254-K256 PolarHBondContact O-N 3.33Å; Q254-A257 WeakPolarHBondContact O-CB 3.26Å; Q254-A257 PolarHBondContact O-N 3.33Å; Q254-L258 PolarHBondContact O-N 2.86Å
255K76.5Confident75Confident151 Ų151113.9 Ų113.966%0.65757%0.573SS**Hα-helixtrans-65.6-35.8177.6-71.4-177.4179.1-173.50112.9S251 C252 A257 L258 S259S251-K255 WeakPolarHBondContact O-CG 3.49Å; S251-K255 PolarHBondContact O-N 3.5Å; C252-K255 PolarHBondContact O-N 3.42Å; K255-A257 VanDerWaalsContact C-N 3.31Å; K255-A257 PolarHBondContact O-N 2.94Å; K255-L258 PolarHBondContact O-N 3.2Å; K255-S259 PolarHBondContact O-N 2.93Å
256K71.9Confident73Confident146 Ų146118.7 Ų118.764%0.63559%0.589SS**Hα-helixtrans-68-25.9174.4-77178.4179.7-177.70113.5C252 Q254 S259 K260C252-K256 WeakPolarHBondContact O-CB 3.03Å; C252-K256 VanDerWaalsContact O-CG 3.31Å; C252-K256 WeakPolarHBondContact O-CG 3.42Å; C252-K256 PolarHBondContact O-N 2.04Å; Q254-K256 PolarHBondContact O-N 3.33Å; K256-S259 PolarHBondContact O-OG 2.86Å; K256-K260 WeakPolarHBondContact O-CG 3.44Å; K256-K260 PolarHBondContact O-N 2.95Å
257A67.9Low71Confident66 Ų66116 Ų11655%0.54560%0.595SS.*Hα-helixtrans-72.4-39.1172.800000111.4K253 Q254 K255 K260 A261K253-A257 PolarHBondContact O-N 3.4Å; Q254-A257 WeakPolarHBondContact O-CB 3.26Å; Q254-A257 PolarHBondContact O-N 3.33Å; K255-A257 VanDerWaalsContact C-N 3.31Å; K255-A257 PolarHBondContact O-N 2.94Å; A257-K260 PolarHBondContact O-N 3.48Å; A257-A261 PolarHBondContact O-N 2.88Å
258L62.5Low69Low106 Ų106115.1 Ų115.156%0.55560%0.601SS**Hα-helixtrans-71-36.2179-165.9146.2000112.7Q254 K255 K260 A261 R262Q254-L258 PolarHBondContact O-N 2.86Å; K255-L258 PolarHBondContact O-N 3.2Å; L258-K260 VanDerWaalsContact C-N 3.35Å; L258-A261 PolarHBondContact O-N 3.39Å; L258-R262 PolarHBondContact O-N 3.08Å
259S64.9Low66.5Low60 Ų60117.1 Ų117.142%0.4262%0.616SS.*Hα-helixtrans-68.9-31.7175.665.40000113K255 K256 R262 V263K255-S259 PolarHBondContact O-N 2.93Å; K256-S259 PolarHBondContact O-OG 2.86Å; S259-R262 PolarHBondContact O-N 3.22Å; S259-V263 WeakPolarHBondContact O-CG2 3.24Å; S259-V263 PolarHBondContact O-N 3.45Å
260K66.9Low64.4Low164 Ų164114 Ų11471%0.71362%0.62SS**Hα-helixtrans-70.3-32.8176.1-78.3-177.2176.5-171.20112.8K256 A257 L258 A264K256-K260 WeakPolarHBondContact O-CG 3.44Å; K256-K260 PolarHBondContact O-N 2.95Å; A257-K260 PolarHBondContact O-N 3.48Å; L258-K260 VanDerWaalsContact C-N 3.35Å; K260-A264 PolarHBondContact O-N 3.31Å
261A60.9Low61.9Low60 Ų60116.5 Ų116.550%0.49664%0.638SS.*Hα-helixtrans-68.5-38.317400000112.3A257 L258 V263 A264 E265A257-A261 PolarHBondContact O-N 2.88Å; L258-A261 PolarHBondContact O-N 3.39Å; A261-V263 PolarHBondContact O-N 3.48Å; A261-A264 PolarHBondContact O-N 3.33Å; A261-E265 PolarHBondContact O-N 3.43Å
262R59.5Low59.5Low183 Ų183117.7 Ų117.769%0.69166%0.658SS**Hα-helixtrans-69.4-28.9177.5-75.7-166.8179.4165.2-0.7114.5L258 S259L258-R262 PolarHBondContact O-N 3.08Å; S259-R262 PolarHBondContact O-N 3.22Å
263V58.8Low57.2Low108 Ų108122.7 Ų122.766%0.65567%0.674SS**Hα-helixtrans-79.6-27.6176.6176.40000111.6S259 A261S259-V263 WeakPolarHBondContact O-CG2 3.24Å; S259-V263 PolarHBondContact O-N 3.45Å; A261-V263 PolarHBondContact O-N 3.48Å
264A57.9Low55Low63 Ų63123.7 Ų123.752%0.52168%0.679SS.*Hα-helixtrans-71.1-33.5174.100000112.6K260 A261 L266 A267K260-A264 PolarHBondContact O-N 3.31Å; A261-A264 PolarHBondContact O-N 3.33Å; A264-L266 VanDerWaalsContact C-N 3.35Å; A264-A267 PolarHBondContact O-N 3.19Å
265E53.9Low53.4Low161 Ų161124.5 Ų124.575%0.75269%0.686SS**Hα-helixtrans-69.2-27.8175.9-76.6-108.1141.100113.5A261 A267A261-E265 PolarHBondContact O-N 3.43Å; E265-A267 VanDerWaalsContact C-N 3.3Å; E265-A267 PolarHBondContact O-N 3.26Å
266L53Low51.3Low159 Ų159125.9 Ų125.983%0.83270%0.695SS**THydrogen-bonded Turntrans-79.3-8.6176.4-107.991.2000114A264A264-L266 VanDerWaalsContact C-N 3.35Å
267A52.6Low50Low82 Ų82124.3 Ų124.368%0.67870%0.702SS**THydrogen-bonded Turntrans-97.9-3-175.200000114.1A264 E265A264-A267 PolarHBondContact O-N 3.19Å; E265-A267 VanDerWaalsContact C-N 3.3Å; E265-A267 PolarHBondContact O-N 3.26Å
268T51.7Low48.4Very low112 Ų112128.2 Ų128.269%0.68771%0.714SS**  trans-121.488.2178.145.50000111
269S36.7Very low47.3Very low113 Ų113127.9 Ų127.979%0.7972%0.72SS**  trans-133.2107.9162.1-174.10000108.4
270P45.1Very low46Very low123 Ų123129 Ų12980%0.79974%0.742SS**  trans-84.2138.3168.930.6-25.4000110.6
271E39.3Very low44.4Very low196 Ų196127.4 Ų127.492%0.91675%0.745SS**  trans-67.6150.9179.8-65.2166.3111.100114.1
272G35Very low43Very low74 Ų74133.5 Ų133.576%0.76376%0.761SS**  trans82.7141.4156.100000116.5
273E31.7Very low42Very low175 Ų175131.6 Ų131.682%0.81876%0.764SS**  cis-163.71574.5-78.9-173.599.300109.2
274K34.3Very low40.6Very low170 Ų170133.4 Ų133.474%0.73977%0.77SS**  trans75.4118.7149.6-89.3177.7173.1162.40123.4
275L41.3Very low39.6Very low143 Ų143134.9 Ų134.975%0.74978%0.776SS**  trans64.1109.4138-63.4163.1000117.9
276Q32.1Very low38.5Very low179 Ų179137.6 Ų137.684%0.83678%0.781SS**  -179.3136.890-139.5128.1-27.700109
277S43.5Very low37.5Very low114 Ų114135.1 Ų135.180%0.79778%0.777SS**  trans-58.9132.6167.3440000111.7
278D35.2Very low36.4Very low148 Ų148139.2 Ų139.279%0.79179%0.787SS**  175.7144.7113-147.9-19.1000111.4
279S38.7Very low35.8Very low98 Ų98142 Ų14269%0.68579%0.792SS**  trans57.3104.2155.8-65.20000120.2
280G38.5Very low35.3Very low85 Ų85144 Ų14488%0.87679%0.794SS**  trans-73.4124.2165.700000112.2
281V32.5Very low34.5Very low129 Ų129144.4 Ų144.478%0.78279%0.789SS**  trans-119.7109.4164.71760000106.6
282F31.6Very low34.1Very low189 Ų189143.7 Ų143.783%0.82979%0.786SS**  trans-108123.5161.5-144.9-95.1000107.6D284F282-D284 PolarHBondContact O-N 3.5Å
283L37.9Very low34.1Very low142 Ų142145.7 Ų145.774%0.74379%0.786SS**  trans-70.6114172.7-102.3130.5000108.7
284D30.9Very low34.1Very low146 Ų146143.1 Ų143.178%0.78179%0.787SS**  trans-117.4107.6151.7-85.7-41.7000108.3F282F282-D284 PolarHBondContact O-N 3.5Å
285S35.7Very low33.9Very low94 Ų94145.4 Ų145.466%0.65780%0.797SS**  trans-63.7125.9155.3-78.60000107.8
286Y31.1Very low33.3Very low218 Ų218142 Ų14286%0.85580%0.796SS**  -179.1121.5128.4-96.7-71.7000109.5
287S32.5Very low33.2Very low108 Ų108140 Ų14076%0.75580%0.796SS**  trans49.8106.4148-60.90000120.5
288L29.7Very low32.6Very low168 Ų168144 Ų14488%0.8880%0.8SS**  trans-141.6109139.3-91.1177.8000110.9
289Q37.9Very low33Very low169 Ų169148.4 Ų148.479%0.7981%0.805SS**  trans4.3126.3131-154150.121.900117.5
290D27.1Very low32.7Very low156 Ų156151.2 Ų151.283%0.83481%0.812SS**  -161.6152.1127.9-131.5-54.1000113.8
291N28.7Very low33.2Very low131 Ų131153.3 Ų153.370%0.70181%0.814SS**  trans-80.3147.2-172.5-84.6-78.1000113.8
292Q30Very low33.6Very low181 Ų181156.6 Ų156.685%0.84682%0.817SS**  170152.698-102.5-150.63.400112.9
293P35.9Very low34.4Very low117 Ų117153.1 Ų153.176%0.7681%0.807SS**  trans-97.4141.1-177.136.7-28.8000112.8
294S30.2Very low35.3Very low121 Ų121150.1 Ų150.185%0.84679%0.791SS**  trans-111.6133.8168.836.30000111.7
295K30.5Very low36.5Very low218 Ų218149 Ų14995%0.94879%0.785SS**  trans-47.3146.5-179.5-71167.1170.31720114.4
296G28.3Very low38.1Very low70 Ų70150.7 Ų150.772%0.72278%0.777SS**  trans161.689.7156.100000116.4
297T31.6Very low40Very low138 Ų138143.7 Ų143.785%0.84776%0.755SS**  trans16.1135.4140.8-210000121.1
298K30.7Very low41.8Very low199 Ų199138.8 Ų138.887%0.86572%0.719SS**  trans107.6116.8154-68.1-172.9175.8178.70116.4D300K298-D300 PolarHBondContact O-N 2.83Å
299R43.9Very low43.8Very low240 Ų240134.9 Ų134.991%0.90670%0.703SS**  trans-41.9125.8160-74.5173.2169.4168.5-4.3110.4
300D31.4Very low45.3Very low157 Ų157131.4 Ų131.484%0.8469%0.689SS**  trans-148.4132.4134.6-91.9-44.8000109.4K298 K302K298-D300 PolarHBondContact O-N 2.83Å; D300-K302 VanDerWaalsContact C-N 3.33Å; D300-K302 PolarHBondContact O-N 2.85Å
301S49Very low47.6Very low129 Ų129124.5 Ų124.590%0.90265%0.652SS**  trans-64.976.8-173.2-55.50000113
302K40.5Very low49.8Very low198 Ų198120.3 Ų120.386%0.86163%0.632SS**  trans-95.8114.1168.5-155.2169.1-174.9178.80108.2D300 D304D300-K302 VanDerWaalsContact C-N 3.33Å; D300-K302 PolarHBondContact O-N 2.85Å; K302-D304 PolarHBondContact O-N 3.27Å; K302-D304 VanDerWaalsContact O-N 3.14Å
303L48.3Very low51.9Low115 Ų115116.4 Ų116.460%0.60262%0.623SS**  trans-38.1117.7-177.5-86.6109.3000111.6N305L303-N305 PolarHBondContact O-N 3.47Å
304D56.3Low53.6Low79 Ų79115.9 Ų115.942%0.42261%0.61SS.*  trans-68.7100.3169.9-156.9-21.2000107.6K302 R306 G371K302-D304 PolarHBondContact O-N 3.27Å; K302-D304 VanDerWaalsContact O-N 3.14Å; D304-R306 PolarHBondContact O-N 3.36Å; D304-R306 VanDerWaalsContact OD1-CB 3.29Å; D304-R306 WeakPolarHBondContact OD1-CB 3.34Å; D304-R306 PolarHBondContact OD1-N 3.32Å; D304-G371 PolarHBondContact O-N 3.32Å
305N57.3Low55.6Low123 Ų123111.8 Ų111.866%0.65858%0.577SS**  trans-754.7-179.8-80.4-17.1000112.5L303 L307L303-N305 PolarHBondContact O-N 3.47Å; N305-L307 PolarHBondContact O-N 3.23Å
306R68.6Low57.9Low129 Ų129103.4 Ų103.449%0.48754%0.541SS..  trans-63129.4174.9-172.3172.4-179.9156.21.4109.6D304 N310 L370D304-R306 PolarHBondContact O-N 3.36Å; D304-R306 VanDerWaalsContact OD1-CB 3.29Å; D304-R306 WeakPolarHBondContact OD1-CB 3.34Å; D304-R306 PolarHBondContact OD1-N 3.32Å; R306-N310 HydrophobicContact CG-CB 4.32Å; R306-N310 PolarHBondContact NE-O 2.95Å; R306-N310 PolarHBondContact NH2-O 3.24Å; R306-L370 HydrophobicContact CB-CD1 3.99Å; R306-L370 HydrophobicContact CB-CG 4.43Å; R306-L370 HydrophobicContact CG-CD1 4.02Å; R306-L370 WeakPolarHBondContact O-CG 3.44Å; R306-L370 PolarHBondContact O-N 3.29Å
307L70.6Confident60.3Low72 Ų72106.4 Ų106.438%0.37754%0.536SS..BIsolated β-bridgetrans-71.7143.1176-61.4170.2000110.3N305 V309 N310 S368N305-L307 PolarHBondContact O-N 3.23Å; L307-V309 PolarHBondContact O-N 2.88Å; L307-N310 WeakPolarHBondContact O-CB 3.22Å; L307-N310 PolarHBondContact O-N 2.99Å; L307-S368 WeakPolarHBondContact CA-O 2.96Å
308Y70.9Confident62.6Low4 Ų4103.1 Ų103.12%0.01651%0.511CS..G310 helixtrans-58.3-31.9178178.8-94.6000113.5N310 L311 Q316 L359 W362 A363 S368 L370 L373Y308-N310 PolarHBondContact O-N 3.41Å; Y308-L311 HydrophobicContact CE2-CD2 4.26Å; Y308-L311 VanDerWaalsContact O-CB 3.23Å; Y308-L311 WeakPolarHBondContact O-CB 3.47Å; Y308-L311 PolarHBondContact O-N 2.04Å; Y308-Q316 HydrophobicContact CE1-CG 4.19Å; Y308-Q316 HydrophobicContact CE2-CG 4.45Å; Y308-Q316 PolarHBondContact O-NE2 3.46Å; Y308-L359 HydrophobicContact CE1-CB 3.97Å; Y308-L359 WeakPolarHBondContact OH-CD1 3.29Å; Y308-W362 HydrophobicContact CG-CZ3 4.1Å; Y308-A363 HydrophobicContact CD1-CB 3.73Å; Y308-A363 HydrophobicContact CE1-CB 4.49Å; Y308-S368 PolarHBondContact N-O 3.02Å; Y308-S368 VanDerWaalsContact N-O 3.16Å; Y308-L370 HydrophobicContact CD2-CD2 3.85Å; Y308-L370 HydrophobicContact CG-CD2 4.47Å; Y308-L373 HydrophobicContact CD2-CD2 3.3Å; Y308-L373 HydrophobicContact CE2-CD2 3.51Å; Y308-L373 HydrophobicContact CG-CD2 4.3Å
309V71.9Confident65Low87 Ų8793.6 Ų93.653%0.52747%0.47SS..G310 helixtrans-57.8-28.2173.9-178.70000112.5L307 L311 A363L307-V309 PolarHBondContact O-N 2.88Å; V309-L311 VanDerWaalsContact C-N 3.28Å; V309-L311 PolarHBondContact O-N 3.08Å; V309-A363 HydrophobicContact CG2-CB 3.71Å
310N69.3Low67Low95 Ų9583.4 Ų83.451%0.50843%0.433SS..G310 helixtrans-88.810.8-179.3-64.6-52.5000113.3R306 L307 Y308R306-N310 HydrophobicContact CG-CB 4.32Å; R306-N310 PolarHBondContact NE-O 2.95Å; R306-N310 PolarHBondContact NH2-O 3.24Å; L307-N310 WeakPolarHBondContact O-CB 3.22Å; L307-N310 PolarHBondContact O-N 2.99Å; Y308-N310 PolarHBondContact O-N 3.41Å
311L75.2Confident69.3Low11 Ų1181 Ų816%0.05841%0.412CS..SBendtrans-83.2138.5174.2-165.570.7000109.3Y308 V309 K315 Q316 L370Y308-L311 HydrophobicContact CE2-CD2 4.26Å; Y308-L311 VanDerWaalsContact O-CB 3.23Å; Y308-L311 WeakPolarHBondContact O-CB 3.47Å; Y308-L311 PolarHBondContact O-N 2.04Å; V309-L311 VanDerWaalsContact C-N 3.28Å; V309-L311 PolarHBondContact O-N 3.08Å; L311-K315 HydrophobicContact CD1-CB 4.38Å; L311-K315 HydrophobicContact CD1-CD 3.96Å; L311-K315 HydrophobicContact CD2-CB 3.75Å; L311-K315 HydrophobicContact CG-CB 3.84Å; L311-K315 HydrophobicContact CG-CD 4.29Å; L311-Q316 HydrophobicContact CB-CG 4.03Å; L311-Q316 HydrophobicContact CD2-CG 4.04Å; L311-Q316 HydrophobicContact CG-CG 4.35Å; L311-Q316 PolarHBondContact O-NE2 3.21Å; L311-L370 HydrophobicContact CD1-CD1 4.29Å
312P76.3Confident70.8Confident44 Ų4476.2 Ų76.229%0.28638%0.376SS..  trans-54.9142.2175.5-26.634.8000112.4H314 K315 Q316P312-H314 VanDerWaalsContact C-N 3.29Å; P312-H314 WeakPolarHBondContact CB-CE1 3.07Å; P312-H314 WeakPolarHBondContact CB-ND1 3.26Å; P312-H314 PolarHBondContact O-N 3Å; P312-K315 WeakPolarHBondContact O-CB 3.48Å; P312-K315 PolarHBondContact O-N 3.02Å; P312-Q316 PolarHBondContact O-N 3.34Å
313P73.4Confident72.7Confident99 Ų9966.9 Ų66.964%0.64334%0.335SS*.Hα-helixtrans-59.2-37.7-173.521.5-32.8000112.8K315 Q316 E317P313-K315 PolarHBondContact O-N 3.41Å; P313-K315 VanDerWaalsContact O-N 3.13Å; P313-Q316 PolarHBondContact O-N 2.82Å; P313-Q316 VanDerWaalsContact O-N 3.1Å; P313-E317 PolarHBondContact O-N 2.9Å
314H71.1Confident74.1Confident106 Ų10665.8 Ų65.849%0.49133%0.327SS..Hα-helixtrans-59.7-25.8176.267.7-95.1000113.9P312 E318P312-H314 VanDerWaalsContact C-N 3.29Å; P312-H314 WeakPolarHBondContact CB-CE1 3.07Å; P312-H314 WeakPolarHBondContact CB-ND1 3.26Å; P312-H314 PolarHBondContact O-N 3Å; H314-E318 PolarHBondContact O-N 3.49Å
315K73.1Confident74.7Confident35 Ų3567.8 Ų67.815%0.15233%0.334CS..Hα-helixtrans-88.4-32.4176.5-63.2-167.2172.8-173.70112.6L311 P312 P313 E317 E318 V319 S391L311-K315 HydrophobicContact CD1-CB 4.38Å; L311-K315 HydrophobicContact CD1-CD 3.96Å; L311-K315 HydrophobicContact CD2-CB 3.75Å; L311-K315 HydrophobicContact CG-CB 3.84Å; L311-K315 HydrophobicContact CG-CD 4.29Å; P312-K315 WeakPolarHBondContact O-CB 3.48Å; P312-K315 PolarHBondContact O-N 3.02Å; P313-K315 PolarHBondContact O-N 3.41Å; P313-K315 VanDerWaalsContact O-N 3.13Å; K315-E317 VanDerWaalsContact C-N 3.32Å; K315-E318 PolarHBondContact O-N 3.07Å; K315-V319 VanDerWaalsContact O-CG2 3.25Å; K315-V319 WeakPolarHBondContact O-CG2 3.22Å; K315-V319 PolarHBondContact O-N 2.8Å; K315-V319 VanDerWaalsContact O-N 3.09Å; K315-S391 PolarHBondContact NZ-O 3.49Å
316Q78.1Confident74.8Confident41 Ų4163.3 Ų63.319%0.19231%0.314CS..Hα-helixtrans-62.4-47173.2-67.8176.2-15.900109Y308 L311 P312 P313 E318 V319 E320Y308-Q316 HydrophobicContact CE1-CG 4.19Å; Y308-Q316 HydrophobicContact CE2-CG 4.45Å; Y308-Q316 PolarHBondContact O-NE2 3.46Å; L311-Q316 HydrophobicContact CB-CG 4.03Å; L311-Q316 HydrophobicContact CD2-CG 4.04Å; L311-Q316 HydrophobicContact CG-CG 4.35Å; L311-Q316 PolarHBondContact O-NE2 3.21Å; P312-Q316 PolarHBondContact O-N 3.34Å; P313-Q316 PolarHBondContact O-N 2.82Å; P313-Q316 VanDerWaalsContact O-N 3.1Å; Q316-E318 PolarHBondContact O-N 3.16Å; Q316-V319 PolarHBondContact O-N 2.99Å; Q316-E320 WeakPolarHBondContact O-CB 3.05Å; Q316-E320 WeakPolarHBondContact O-CG 3.21Å; Q316-E320 PolarHBondContact O-N 3.3Å
317E79.4Confident74.1Confident134 Ų13463.8 Ų63.863%0.62634%0.337SS*.Hα-helixtrans-60.4-42.5176.5-169.3174.3-168.700112.6P313 K315 V319 E320 R321P313-E317 PolarHBondContact O-N 2.9Å; K315-E317 VanDerWaalsContact C-N 3.32Å; E317-V319 PolarHBondContact O-N 3Å; E317-E320 PolarHBondContact O-N 2.8Å; E317-R321 VanDerWaalsContact O-CB 3.29Å; E317-R321 WeakPolarHBondContact O-CB 3.34Å; E317-R321 PolarHBondContact O-N 3.18Å
318E80.1Confident73.6Confident68 Ų6862.6 Ų62.632%0.31834%0.342SS..Hα-helixtrans-65.7-39.2177.4-176.661.4-174.100112.6H314 K315 Q316 R321 L322 A388H314-E318 PolarHBondContact O-N 3.49Å; K315-E318 PolarHBondContact O-N 3.07Å; Q316-E318 PolarHBondContact O-N 3.16Å; E318-R321 VanDerWaalsContact CD-NH2 3.33Å; E318-R321 IonicContact OE1-CZ 2.67Å; E318-R321 IonicContact OE1-NE 2.86Å; E318-R321 IonicContact OE1-NH2 3.82Å; E318-R321 PolarHBondContact OE1-NH2 2.73Å; E318-R321 IonicContact OE2-CZ 2.79Å; E318-R321 IonicContact OE2-NE 3.04Å; E318-R321 PolarHBondContact OE2-NE 3.01Å; E318-R321 IonicContact OE2-NH2 3.92Å; E318-R321 PolarHBondContact OE2-NH2 3.31Å; E318-R321 VanDerWaalsContact OE2-NH2 3.08Å; E318-L322 HydrophobicContact CG-CD1 4.37Å; E318-L322 WeakPolarHBondContact O-CB 3.23Å; E318-L322 VanDerWaalsContact O-CG 3.23Å; E318-L322 WeakPolarHBondContact O-CG 3.03Å; E318-L322 PolarHBondContact O-N 3.28Å; E318-A388 HydrophobicContact CG-CB 4.34Å
319V80Confident73.5Confident0 Ų067.5 Ų67.50%036%0.361CS..Hα-helixtrans-66.7-41.3175173.10000110.9K315 Q316 E317 L322 L323 L359 A388 I389K315-V319 VanDerWaalsContact O-CG2 3.25Å; K315-V319 WeakPolarHBondContact O-CG2 3.22Å; K315-V319 PolarHBondContact O-N 2.8Å; K315-V319 VanDerWaalsContact O-N 3.09Å; Q316-V319 PolarHBondContact O-N 2.99Å; E317-V319 PolarHBondContact O-N 3Å; V319-L322 PolarHBondContact O-N 2.69Å; V319-L323 HydrophobicContact CG1-CD1 3.89Å; V319-L323 WeakPolarHBondContact O-CB 3.44Å; V319-L323 WeakPolarHBondContact O-CD1 3.47Å; V319-L323 VanDerWaalsContact O-CG 3.24Å; V319-L323 WeakPolarHBondContact O-CG 3.04Å; V319-L323 PolarHBondContact O-N 2.8Å; V319-L323 VanDerWaalsContact O-N 3.1Å; V319-L359 HydrophobicContact CG1-CD1 4.09Å; V319-A388 HydrophobicContact CG2-CB 3.93Å; V319-I389 HydrophobicContact CG2-CD1 4.3Å; V319-I389 HydrophobicContact CG2-CG1 3.63Å
320E85.6Confident73.8Confident26 Ų2663.8 Ų63.812%0.12134%0.34CS..Hα-helixtrans-62.8-44.9176.8-72.9167.6-17200111.5Q316 E317 L323 Q324 A355 H356 L359Q316-E320 WeakPolarHBondContact O-CB 3.05Å; Q316-E320 WeakPolarHBondContact O-CG 3.21Å; Q316-E320 PolarHBondContact O-N 3.3Å; E317-E320 PolarHBondContact O-N 2.8Å; E320-L323 PolarHBondContact O-N 3.38Å; E320-Q324 WeakPolarHBondContact O-CB 3.29Å; E320-Q324 PolarHBondContact O-N 2.98Å; E320-A355 HydrophobicContact CB-CB 4.5Å; E320-H356 HydrophobicContact CG-CB 4.34Å; E320-H356 IonicContact OE1-CE1 2.66Å; E320-H356 IonicContact OE1-CG 2.93Å; E320-H356 IonicContact OE1-ND1 3.98Å; E320-H356 PolarHBondContact OE1-ND1 2.92Å; E320-H356 WeakPolarHBondContact OE2-CB 3.03Å; E320-H356 IonicContact OE2-CG 3.81Å; E320-H356 IonicContact OE2-ND1 3.64Å; E320-H356 PolarHBondContact OE2-ND1 2.93Å; E320-L359 HydrophobicContact CG-CD1 3.81Å
321R81.3Confident74.4Confident106 Ų10660.5 Ų60.540%0.432%0.321SS..Hα-helixtrans-59.5-48.3176.3-170.6179.574.288.3-1.1111.8E317 E318 L323 Q324 E325E317-R321 VanDerWaalsContact O-CB 3.29Å; E317-R321 WeakPolarHBondContact O-CB 3.34Å; E317-R321 PolarHBondContact O-N 3.18Å; E318-R321 VanDerWaalsContact CD-NH2 3.33Å; E318-R321 IonicContact OE1-CZ 2.67Å; E318-R321 IonicContact OE1-NE 2.86Å; E318-R321 IonicContact OE1-NH2 3.82Å; E318-R321 PolarHBondContact OE1-NH2 2.73Å; E318-R321 IonicContact OE2-CZ 2.79Å; E318-R321 IonicContact OE2-NE 3.04Å; E318-R321 PolarHBondContact OE2-NE 3.01Å; E318-R321 IonicContact OE2-NH2 3.92Å; E318-R321 PolarHBondContact OE2-NH2 3.31Å; E318-R321 VanDerWaalsContact OE2-NH2 3.08Å; R321-L323 PolarHBondContact O-N 2.87Å; R321-Q324 PolarHBondContact O-N 3.47Å; R321-Q324 VanDerWaalsContact O-N 3.12Å; R321-E325 HydrophobicContact CG-CG 4.41Å; R321-E325 WeakPolarHBondContact CG-OE1 3.34Å; R321-E325 IonicContact CZ-OE1 3.34Å; R321-E325 IonicContact NH1-OE1 2.76Å; R321-E325 PolarHBondContact NH1-OE1 3.04Å; R321-E325 IonicContact NH1-OE2 3.73Å; R321-E325 PolarHBondContact NH1-OE2 2.67Å; R321-E325 PolarHBondContact O-N 2.96Å
322L80.4Confident74.9Confident29 Ų2965.5 Ų65.515%0.15234%0.339CS..Hα-helixtrans-61.7-31.4177.3-72172.1000113E318 V319 R382 A388E318-L322 HydrophobicContact CG-CD1 4.37Å; E318-L322 WeakPolarHBondContact O-CB 3.23Å; E318-L322 VanDerWaalsContact O-CG 3.23Å; E318-L322 WeakPolarHBondContact O-CG 3.03Å; E318-L322 PolarHBondContact O-N 3.28Å; V319-L322 PolarHBondContact O-N 2.69Å; L322-R382 PolarHBondContact O-NH1 2.04Å; L322-R382 PolarHBondContact O-NH2 3.22Å; L322-A388 HydrophobicContact CD1-CB 4.13Å
323L80.1Confident75.2Confident1 Ų168.1 Ų68.11%0.00535%0.347CS..Hα-helixtrans-82.5-23.2177.4-70.9168.3000113.3V319 E320 R321 G330 W331 L334 A355 L359 L377 I380V319-L323 HydrophobicContact CG1-CD1 3.89Å; V319-L323 WeakPolarHBondContact O-CB 3.44Å; V319-L323 WeakPolarHBondContact O-CD1 3.47Å; V319-L323 VanDerWaalsContact O-CG 3.24Å; V319-L323 WeakPolarHBondContact O-CG 3.04Å; V319-L323 PolarHBondContact O-N 2.8Å; V319-L323 VanDerWaalsContact O-N 3.1Å; E320-L323 PolarHBondContact O-N 3.38Å; R321-L323 PolarHBondContact O-N 2.87Å; L323-G330 VanDerWaalsContact O-CA 3.25Å; L323-G330 WeakPolarHBondContact O-CA 3.23Å; L323-W331 HydrophobicContact CB-CB 4.34Å; L323-W331 PolarHBondContact O-N 3.07Å; L323-L334 HydrophobicContact CD1-CD2 3.48Å; L323-L334 VanDerWaalsContact CD1-CD2 3.48Å; L323-L334 HydrophobicContact CD2-CD2 4.06Å; L323-L334 HydrophobicContact CG-CD2 4.44Å; L323-A355 HydrophobicContact CB-CB 4.12Å; L323-L359 HydrophobicContact CD1-CD1 3.89Å; L323-L377 HydrophobicContact CD2-CD2 4.12Å; L323-I380 HydrophobicContact CD2-CD1 4.44Å
324Q77.8Confident75.7Confident93 Ų9363.4 Ų63.444%0.43532%0.316SS..Hα-helixtrans-84.6-41.3178.9-168.567.82000112.2E320 R321 A326 A355E320-Q324 WeakPolarHBondContact O-CB 3.29Å; E320-Q324 PolarHBondContact O-N 2.98Å; R321-Q324 PolarHBondContact O-N 3.47Å; R321-Q324 VanDerWaalsContact O-N 3.12Å; Q324-A326 VanDerWaalsContact C-N 3.25Å; Q324-A326 PolarHBondContact O-N 2.97Å; Q324-A355 HydrophobicContact CB-CB 4.47Å
325E67.9Low76.3Confident120 Ų12058.3 Ų58.356%0.56129%0.293SS*.SBendtrans-73.5-12.8-178.1-72.5175.1-170.600113.6R321 S327R321-E325 HydrophobicContact CG-CG 4.41Å; R321-E325 WeakPolarHBondContact CG-OE1 3.34Å; R321-E325 IonicContact CZ-OE1 3.34Å; R321-E325 IonicContact NH1-OE1 2.76Å; R321-E325 PolarHBondContact NH1-OE1 3.04Å; R321-E325 IonicContact NH1-OE2 3.73Å; R321-E325 PolarHBondContact NH1-OE2 2.67Å; R321-E325 PolarHBondContact O-N 2.96Å; E325-S327 PolarHBondContact O-N 2.84Å
326A60.7Low76.8Confident30 Ų3059.5 Ų59.525%0.24831%0.309CS..  trans-87.9104.8-17000000113.9Q324 G328Q324-A326 VanDerWaalsContact C-N 3.25Å; Q324-A326 PolarHBondContact O-N 2.97Å; A326-G328 PolarHBondContact O-N 3.48Å
327S53.8Low77.1Confident138 Ų13858.4 Ų58.497%0.96531%0.307SS*.SBendtrans-64.412.9-179.2-470000116.9E325E325-S327 PolarHBondContact O-N 2.84Å
328G59.6Low77.2Confident47 Ų4753.3 Ų53.349%0.48528%0.284SS..SBendtrans-147.1-54.6-175.800000115.1A326 H333A326-G328 PolarHBondContact O-N 3.48Å; G328-H333 PolarHBondContact O-CE1 3.45Å; G328-H333 PolarHBondContact O-ND1 2.8Å
329R67.6Low77.3Confident107 Ų10752.4 Ų52.440%0.40429%0.293SS..SBendtrans-120.859.9179.7-64.3-172.7-66.7-136.48.4110.7I380 E381 R382R329-I380 WeakPolarHBondContact CD-O 3.25Å; R329-I380 PolarHBondContact NE-O 3.31Å; R329-I380 VanDerWaalsContact NE-O 3.12Å; R329-E381 IonicContact CZ-OE2 3.41Å; R329-E381 IonicContact NH1-OE2 3.08Å; R329-E381 PolarHBondContact NH1-OE2 3.19Å; R329-E381 PolarHBondContact NH2-O 3.48Å; R329-E381 IonicContact NH2-OE2 3.25Å; R329-E381 PolarHBondContact NH2-OE2 3.28Å; R329-E381 VanDerWaalsContact NH2-OE2 3.07Å; R329-R382 HydrophobicContact CB-CG 4.48Å; R329-R382 PolarHBondContact O-NH1 3.25Å
330G78.3Confident77.5Confident9 Ų952.8 Ų52.89%0.09329%0.294CS..  trans-83.9-166.6178.800000113.5L323 R332 H333 L334L323-G330 VanDerWaalsContact O-CA 3.25Å; L323-G330 WeakPolarHBondContact O-CA 3.23Å; G330-R332 PolarHBondContact O-N 3.43Å; G330-H333 PolarHBondContact O-N 3.1Å; G330-L334 PolarHBondContact O-N 3.12Å
331W83.2Confident77.3Confident27 Ų2757.2 Ų57.210%0.10232%0.315CS..Hα-helixtrans-50.5-31.3-175.765.8-91.3000115.2L323 H333 L334 G335 L345 F348 P354 A355 L358L323-W331 HydrophobicContact CB-CB 4.34Å; L323-W331 PolarHBondContact O-N 3.07Å; W331-H333 PolarHBondContact O-N 3.25Å; W331-L334 WeakPolarHBondContact O-CB 3.2Å; W331-L334 PolarHBondContact O-N 3.23Å; W331-G335 PolarHBondContact O-N 2.95Å; W331-L345 VanDerWaalsContact CH2-O 3.24Å; W331-L345 WeakPolarHBondContact CH2-O 3.45Å; W331-L345 HydrophobicContact CZ3-CB 4.38Å; W331-L345 HydrophobicContact CZ3-CD2 4.31Å; W331-F348 HydrophobicContact CH2-CB 4.35Å; W331-F348 HydrophobicContact CZ3-CB 3.98Å; W331-P354 HydrophobicContact CD2-CB 3.73Å; W331-P354 HydrophobicContact CE3-CB 4.2Å; W331-P354 HydrophobicContact CG-CB 4.32Å; W331-P354 HydrophobicContact CH2-CB 3.85Å; W331-P354 HydrophobicContact CZ2-CB 3.35Å; W331-P354 HydrophobicContact CZ2-CG 4.07Å; W331-P354 HydrophobicContact CZ3-CB 4.25Å; W331-A355 HydrophobicContact CB-CB 3.8Å; W331-A355 HydrophobicContact CG-CB 4.21Å; W331-L358 HydrophobicContact CB-CD2 4.36Å; W331-L358 WeakPolarHBondContact O-CD2 3.47Å
332R84.3Confident77.3Confident115 Ų11555.6 Ų55.643%0.43432%0.318SS..Hα-helixtrans-60.7-43.4177-74.2-173.7152-150.7-16.2113.1G330 L334 G335 A336 D346G330-R332 PolarHBondContact O-N 3.43Å; R332-L334 VanDerWaalsContact C-N 3.32Å; R332-G335 PolarHBondContact O-N 2.91Å; R332-A336 PolarHBondContact O-N 3.17Å; R332-D346 IonicContact CZ-OD1 2.7Å; R332-D346 IonicContact NH1-OD1 2.8Å; R332-D346 IonicContact NH2-OD1 3.19Å; R332-D346 PolarHBondContact NH2-OD1 2.85Å
333H83.8Confident77.3Confident99 Ų9960.1 Ų60.146%0.45834%0.338SS..Hα-helixtrans-70.4-34.6179.3-68.483.3000111G328 G330 W331 A337 I380G328-H333 PolarHBondContact O-CE1 3.45Å; G328-H333 PolarHBondContact O-ND1 2.8Å; G330-H333 PolarHBondContact O-N 3.1Å; W331-H333 PolarHBondContact O-N 3.25Å; H333-A337 WeakPolarHBondContact O-CB 3.25Å; H333-A337 PolarHBondContact O-N 2.86Å; H333-I380 HydrophobicContact CB-CG2 4.11Å
334L84.1Confident77.3Confident0 Ų063.8 Ų63.80%036%0.356CS..Hα-helixtrans-64.5-45.4172.3-177.458.2000111.1L323 G330 W331 R332 A336 A337 L338 L358 L359 L373 A376 L377 I380L323-L334 HydrophobicContact CD1-CD2 3.48Å; L323-L334 VanDerWaalsContact CD1-CD2 3.48Å; L323-L334 HydrophobicContact CD2-CD2 4.06Å; L323-L334 HydrophobicContact CG-CD2 4.44Å; G330-L334 PolarHBondContact O-N 3.12Å; W331-L334 WeakPolarHBondContact O-CB 3.2Å; W331-L334 PolarHBondContact O-N 3.23Å; R332-L334 VanDerWaalsContact C-N 3.32Å; L334-A336 VanDerWaalsContact C-N 3.35Å; L334-A336 PolarHBondContact O-N 3.16Å; L334-A337 CarbonylContact O-C 3.47Å; L334-A337 WeakPolarHBondContact O-CA 3.24Å; L334-A337 WeakPolarHBondContact O-CB 3.36Å; L334-A337 PolarHBondContact O-N 3.07Å; L334-A337 VanDerWaalsContact O-N 3.08Å; L334-L338 HydrophobicContact CD1-CD1 4.11Å; L334-L338 HydrophobicContact CD1-CG 4.14Å; L334-L338 HydrophobicContact CD2-CD1 4.5Å; L334-L338 HydrophobicContact CG-CD1 3.85Å; L334-L338 HydrophobicContact CG-CG 4.31Å; L334-L338 WeakPolarHBondContact O-CB 3.42Å; L334-L338 VanDerWaalsContact O-CG 3.25Å; L334-L338 WeakPolarHBondContact O-CG 3.4Å; L334-L338 PolarHBondContact O-N 3.12Å; L334-L358 HydrophobicContact CB-CD2 4.42Å; L334-L358 HydrophobicContact CD2-CD2 4.47Å; L334-L358 HydrophobicContact CG-CD2 4.41Å; L334-L359 HydrophobicContact CD2-CD2 3.97Å; L334-L373 HydrophobicContact CD1-CD1 4.23Å; L334-L373 HydrophobicContact CD2-CD1 4.14Å; L334-A376 HydrophobicContact CD1-CB 3.85Å; L334-L377 HydrophobicContact CD1-CD2 3.82Å; L334-L377 HydrophobicContact CD1-CG 4.05Å; L334-L377 HydrophobicContact CD2-CD2 3.89Å; L334-L377 HydrophobicContact CG-CD2 4.42Å; L334-I380 HydrophobicContact CB-CD1 4Å; L334-I380 HydrophobicContact CD1-CD1 4.24Å
335G83.6Confident77.5Confident0 Ų060 Ų600%034%0.338CS..Hα-helixtrans-57.9-45.3176.700000112.8W331 R332 A337 L338 G339 Y340W331-G335 PolarHBondContact O-N 2.95Å; R332-G335 PolarHBondContact O-N 2.91Å; G335-A337 VanDerWaalsContact C-N 3.33Å; G335-A337 PolarHBondContact O-N 2.67Å; G335-L338 CarbonylContact O-C 3.55Å; G335-L338 PolarHBondContact O-N 3.03Å; G335-G339 PolarHBondContact O-N 3.24Å; G335-Y340 WeakPolarHBondContact O-CB 3.43Å; G335-Y340 WeakPolarHBondContact O-CD2 3.37Å; G335-Y340 PolarHBondContact O-N 3.3Å
336A84.1Confident78.2Confident60 Ų6058 Ų5850%0.49633%0.332SS..Hα-helixtrans-62.3-39.4173.300000112.2R332 L334 L338 G339 L345R332-A336 PolarHBondContact O-N 3.17Å; L334-A336 VanDerWaalsContact C-N 3.35Å; L334-A336 PolarHBondContact O-N 3.16Å; A336-L338 VanDerWaalsContact C-N 3.29Å; A336-L338 PolarHBondContact O-N 3.36Å; A336-G339 PolarHBondContact O-N 3.47Å; A336-L345 HydrophobicContact CB-CD1 4.38Å
337A82.9Confident79.2Confident17 Ų1762.2 Ų62.214%0.1435%0.349CS..Hα-helixtrans-67.3-27.917600000113.4H333 L334 G335 G339 A376 R379 I380H333-A337 WeakPolarHBondContact O-CB 3.25Å; H333-A337 PolarHBondContact O-N 2.86Å; L334-A337 CarbonylContact O-C 3.47Å; L334-A337 WeakPolarHBondContact O-CA 3.24Å; L334-A337 WeakPolarHBondContact O-CB 3.36Å; L334-A337 PolarHBondContact O-N 3.07Å; L334-A337 VanDerWaalsContact O-N 3.08Å; G335-A337 VanDerWaalsContact C-N 3.33Å; G335-A337 PolarHBondContact O-N 2.67Å; A337-G339 VanDerWaalsContact C-N 3.32Å; A337-A376 HydrophobicContact CB-CB 4.11Å; A337-R379 PolarHBondContact O-NH1 3.44Å; A337-I380 HydrophobicContact CB-CG2 4.04Å
338L82.4Confident80.5Confident28 Ų2857 Ų5715%0.14731%0.309CS..THydrogen-bonded Turntrans-861.3175.9-65.6173.3000113.4L334 G335 A336 Y340 W362 L373 A376L334-L338 HydrophobicContact CD1-CD1 4.11Å; L334-L338 HydrophobicContact CD1-CG 4.14Å; L334-L338 HydrophobicContact CD2-CD1 4.5Å; L334-L338 HydrophobicContact CG-CD1 3.85Å; L334-L338 HydrophobicContact CG-CG 4.31Å; L334-L338 WeakPolarHBondContact O-CB 3.42Å; L334-L338 VanDerWaalsContact O-CG 3.25Å; L334-L338 WeakPolarHBondContact O-CG 3.4Å; L334-L338 PolarHBondContact O-N 3.12Å; G335-L338 CarbonylContact O-C 3.55Å; G335-L338 PolarHBondContact O-N 3.03Å; A336-L338 VanDerWaalsContact C-N 3.29Å; A336-L338 PolarHBondContact O-N 3.36Å; L338-Y340 HydrophobicContact CB-CD2 4.09Å; L338-Y340 HydrophobicContact CB-CE2 4.22Å; L338-W362 HydrophobicContact CD1-CB 4.45Å; L338-W362 HydrophobicContact CD1-CD2 4.14Å; L338-W362 HydrophobicContact CD1-CG 3.9Å; L338-W362 HydrophobicContact CD2-CD2 4.47Å; L338-W362 HydrophobicContact CD2-CZ2 4.13Å; L338-L373 HydrophobicContact CD1-CD1 4.36Å; L338-A376 HydrophobicContact CD2-CB 3.62Å; L338-A376 HydrophobicContact CG-CB 4.2Å
339G81.7Confident81.4Confident49 Ų4956.4 Ų56.451%0.50530%0.303SS..THydrogen-bonded Turntrans83.329.7175.500000114.7G335 A336 A337G335-G339 PolarHBondContact O-N 3.24Å; A336-G339 PolarHBondContact O-N 3.47Å; A337-G339 VanDerWaalsContact C-N 3.32Å
340Y83.6Confident81.9Confident8 Ų861.4 Ų61.43%0.03132%0.322CS..  trans-86.8137.4167.7-73.1-94.7000110.8G335 L338 Q344 L345 F348 L358 N361 W362 R365G335-Y340 WeakPolarHBondContact O-CB 3.43Å; G335-Y340 WeakPolarHBondContact O-CD2 3.37Å; G335-Y340 PolarHBondContact O-N 3.3Å; L338-Y340 HydrophobicContact CB-CD2 4.09Å; L338-Y340 HydrophobicContact CB-CE2 4.22Å; Y340-Q344 HydrophobicContact CD1-CB 4.24Å; Y340-L345 HydrophobicContact CG-CD2 4.4Å; Y340-F348 AromaticContact CD1-CE2 3.73Å; Y340-F348 HydrophobicContact CD1-CE2 3.73Å; Y340-F348 HydrophobicContact CD1-CZ 4.31Å; Y340-F348 AromaticContact CE1-CE2 3.73Å; Y340-F348 HydrophobicContact CE1-CE2 3.73Å; Y340-F348 AromaticContact CE1-CZ 3.95Å; Y340-F348 HydrophobicContact CE1-CZ 3.95Å; Y340-L358 HydrophobicContact CD2-CD1 4.2Å; Y340-L358 HydrophobicContact CE2-CD1 4.32Å; Y340-L358 HydrophobicContact CG-CD1 4.44Å; Y340-N361 WeakPolarHBondContact CE1-OD1 3.34Å; Y340-N361 PolarHBondContact OH-OD1 3.14Å; Y340-W362 HydrophobicContact CE2-CB 4.17Å; Y340-W362 HydrophobicContact CE2-CG 4.49Å; Y340-W362 WeakPolarHBondContact OH-CA 3.21Å; Y340-W362 WeakPolarHBondContact OH-CB 3.07Å; Y340-W362 PolarHBondContact OH-N 2.93Å; Y340-W362 VanDerWaalsContact OH-N 3.15Å; Y340-R365 PolarHBondContact OH-NE 3.1Å
341E82.8Confident81.7Confident118 Ų11862.8 Ų62.855%0.55134%0.336SS*.  trans-71151173.3-65.7-57.1145.600111E343 Q344 L345E341-E343 PolarHBondContact O-N 3.38Å; E341-Q344 HydrophobicContact CB-CG 4.49Å; E341-Q344 WeakPolarHBondContact O-CB 3.16Å; E341-Q344 PolarHBondContact O-N 2.76Å; E341-L345 PolarHBondContact O-N 3Å
342P79.8Confident81.2Confident72 Ų7271.1 Ų71.147%0.46838%0.376SS..Hα-helixtrans-58.4-32.8-176.121.8-31000113.1Q344 L345 D346P342-Q344 VanDerWaalsContact C-N 3.32Å; P342-Q344 PolarHBondContact O-N 3.15Å; P342-L345 PolarHBondContact O-N 3.14Å; P342-D346 PolarHBondContact O-N 3.42Å
343E80.6Confident81.1Confident124 Ų12467.7 Ų67.758%0.57937%0.373SS*.Hα-helixtrans-66.8-33.2178.1-59.674.3-160.800112.2E341 L347E341-E343 PolarHBondContact O-N 3.38Å; E343-L347 PolarHBondContact O-N 3.02Å
344Q80.6Confident81.1Confident78 Ų7863.4 Ų63.436%0.36435%0.353SS..Hα-helixtrans-72-36.9175.6-61.7-175.3-45.400110.9Y340 E341 P342 D346 L347 F348Y340-Q344 HydrophobicContact CD1-CB 4.24Å; E341-Q344 HydrophobicContact CB-CG 4.49Å; E341-Q344 WeakPolarHBondContact O-CB 3.16Å; E341-Q344 PolarHBondContact O-N 2.76Å; P342-Q344 VanDerWaalsContact C-N 3.32Å; P342-Q344 PolarHBondContact O-N 3.15Å; Q344-D346 VanDerWaalsContact C-N 3.32Å; Q344-L347 PolarHBondContact O-N 3.37Å; Q344-F348 HydrophobicContact CB-CE2 4.36Å; Q344-F348 WeakPolarHBondContact O-CD2 3.2Å; Q344-F348 WeakPolarHBondContact O-CG 3.43Å; Q344-F348 PolarHBondContact O-N 3.38Å
345L81.8Confident81Confident13 Ų1363.5 Ų63.57%0.06835%0.354CS..Hα-helixtrans-67.7-33.6175.8-60.2175.5000111.9W331 A336 Y340 E341 P342 L347 F348 G349 L358W331-L345 VanDerWaalsContact CH2-O 3.24Å; W331-L345 WeakPolarHBondContact CH2-O 3.45Å; W331-L345 HydrophobicContact CZ3-CB 4.38Å; W331-L345 HydrophobicContact CZ3-CD2 4.31Å; A336-L345 HydrophobicContact CB-CD1 4.38Å; Y340-L345 HydrophobicContact CG-CD2 4.4Å; E341-L345 PolarHBondContact O-N 3Å; P342-L345 PolarHBondContact O-N 3.14Å; L345-L347 VanDerWaalsContact C-N 3.33Å; L345-F348 HydrophobicContact CD2-CD2 4.26Å; L345-F348 PolarHBondContact O-N 3.22Å; L345-G349 PolarHBondContact O-N 3.16Å; L345-G349 VanDerWaalsContact O-N 3.07Å; L345-L358 HydrophobicContact CD2-CD1 3.56Å
346D82.6Confident81Confident80 Ų8067.5 Ų67.543%0.42837%0.373SS..Hα-helixtrans-66.4-34.1173.6-76.1-22.6000112.6R332 P342 Q344 G349R332-D346 IonicContact CZ-OD1 2.7Å; R332-D346 IonicContact NH1-OD1 2.8Å; R332-D346 IonicContact NH2-OD1 3.19Å; R332-D346 PolarHBondContact NH2-OD1 2.85Å; P342-D346 PolarHBondContact O-N 3.42Å; Q344-D346 VanDerWaalsContact C-N 3.32Å; D346-G349 PolarHBondContact O-N 3.27Å
347L81.6Confident81.1Confident117 Ų11767.2 Ų67.261%0.61337%0.365SS*.Hα-helixtrans-67.6-43.6174.1-70.2168.2000111.9E343 Q344 L345 G349 R350E343-L347 PolarHBondContact O-N 3.02Å; Q344-L347 PolarHBondContact O-N 3.37Å; L345-L347 VanDerWaalsContact C-N 3.33Å; L347-G349 VanDerWaalsContact C-N 3.27Å; L347-G349 PolarHBondContact O-N 3.05Å; L347-R350 PolarHBondContact O-N 3.33Å
348F82.1Confident81.2Confident30 Ų3066.4 Ų66.413%0.13236%0.358CS..Hα-helixtrans-65.5-31.3176.7-58.6-42000112.8W331 Y340 Q344 L345 R350 G351 T357 L358 N361W331-F348 HydrophobicContact CH2-CB 4.35Å; W331-F348 HydrophobicContact CZ3-CB 3.98Å; Y340-F348 AromaticContact CD1-CE2 3.73Å; Y340-F348 HydrophobicContact CD1-CE2 3.73Å; Y340-F348 HydrophobicContact CD1-CZ 4.31Å; Y340-F348 AromaticContact CE1-CE2 3.73Å; Y340-F348 HydrophobicContact CE1-CE2 3.73Å; Y340-F348 AromaticContact CE1-CZ 3.95Å; Y340-F348 HydrophobicContact CE1-CZ 3.95Å; Q344-F348 HydrophobicContact CB-CE2 4.36Å; Q344-F348 WeakPolarHBondContact O-CD2 3.2Å; Q344-F348 WeakPolarHBondContact O-CG 3.43Å; Q344-F348 PolarHBondContact O-N 3.38Å; L345-F348 HydrophobicContact CD2-CD2 4.26Å; L345-F348 PolarHBondContact O-N 3.22Å; F348-R350 PolarHBondContact O-N 3.42Å; F348-G351 PolarHBondContact O-N 2.7Å; F348-T357 HydrophobicContact CD1-CG2 3.59Å; F348-T357 HydrophobicContact CE1-CG2 4.17Å; F348-T357 HydrophobicContact CG-CG2 4.37Å; F348-L358 HydrophobicContact CD2-CD1 3.83Å; F348-L358 HydrophobicContact CE2-CD1 4.02Å; F348-N361 HydrophobicContact CE1-CB 4.36Å; F348-N361 HydrophobicContact CZ-CB 4.16Å
349G77.6Confident81.2Confident34 Ų3465 Ų6535%0.35135%0.351SS..THydrogen-bonded Turntrans-69.6-13.6178.300000115.2L345 D346 L347 G351L345-G349 PolarHBondContact O-N 3.16Å; L345-G349 VanDerWaalsContact O-N 3.07Å; D346-G349 PolarHBondContact O-N 3.27Å; L347-G349 VanDerWaalsContact C-N 3.27Å; L347-G349 PolarHBondContact O-N 3.05Å; G349-G351 VanDerWaalsContact C-N 3.34Å
350R79.1Confident81.3Confident211 Ų21164.5 Ų64.580%0.79634%0.34SS*.THydrogen-bonded Turntrans-83.9-10.1176.8-65178.5-173.2-154.91.1113.3L347 F348L347-R350 PolarHBondContact O-N 3.33Å; F348-R350 PolarHBondContact O-N 3.42Å
351G73.2Confident81.4Confident38 Ų3866.9 Ų66.939%0.39235%0.353SS..SBendtrans-86.9164.1177.500000113.2F348 G349 A353F348-G351 PolarHBondContact O-N 2.7Å; G349-G351 VanDerWaalsContact C-N 3.34Å; G351-A353 VanDerWaalsContact C-N 3.32Å; G351-A353 PolarHBondContact O-N 3.39Å
352E73.5Confident81.4Confident202 Ų20262 Ų6294%0.94433%0.33SS*.SBendtrans-69.1-27.5-178-161.2169-169.100113
353A81.9Confident81.5Confident44 Ų4459.3 Ų59.336%0.36431%0.313SS..  trans-132.282.6175.900000112G351 A355 H356 T357G351-A353 VanDerWaalsContact C-N 3.32Å; G351-A353 PolarHBondContact O-N 3.39Å; A353-A355 PolarHBondContact O-N 2.94Å; A353-H356 HydrophobicContact CB-CB 3.87Å; A353-H356 PolarHBondContact O-N 3.35Å; A353-T357 WeakPolarHBondContact O-CB 3.28Å; A353-T357 PolarHBondContact O-N 3.01Å; A353-T357 PolarHBondContact O-OG1 2.8Å
354P82.8Confident81.4Confident8 Ų861 Ų615%0.05232%0.321CS..Hα-helixtrans-63.6-38.1-176.7-25.935.8000114.5W331 T357 L358W331-P354 HydrophobicContact CD2-CB 3.73Å; W331-P354 HydrophobicContact CE3-CB 4.2Å; W331-P354 HydrophobicContact CG-CB 4.32Å; W331-P354 HydrophobicContact CH2-CB 3.85Å; W331-P354 HydrophobicContact CZ2-CB 3.35Å; W331-P354 HydrophobicContact CZ2-CG 4.07Å; W331-P354 HydrophobicContact CZ3-CB 4.25Å; P354-T357 PolarHBondContact O-N 2.98Å; P354-L358 WeakPolarHBondContact O-CB 3.45Å; P354-L358 PolarHBondContact O-N 3.38Å
355A83.6Confident81.3Confident2 Ų261.8 Ų61.82%0.01732%0.32CS..Hα-helixtrans-65.3-44.9178.300000112.3E320 L323 Q324 W331 A353 L358 L359E320-A355 HydrophobicContact CB-CB 4.5Å; L323-A355 HydrophobicContact CB-CB 4.12Å; Q324-A355 HydrophobicContact CB-CB 4.47Å; W331-A355 HydrophobicContact CB-CB 3.8Å; W331-A355 HydrophobicContact CG-CB 4.21Å; A353-A355 PolarHBondContact O-N 2.94Å; A355-L358 PolarHBondContact O-N 3.49Å; A355-L359 WeakPolarHBondContact O-CG 3.48Å; A355-L359 PolarHBondContact O-N 2.76Å; A355-L359 VanDerWaalsContact O-N 3.08Å
356H83.8Confident80.3Confident85 Ų8571 Ų7139%0.39436%0.363SS..Hα-helixtrans-61.6-45.3175.4179.369.5000111.8E320 A353 L358 L359 S360E320-H356 HydrophobicContact CG-CB 4.34Å; E320-H356 IonicContact OE1-CE1 2.66Å; E320-H356 IonicContact OE1-CG 2.93Å; E320-H356 IonicContact OE1-ND1 3.98Å; E320-H356 PolarHBondContact OE1-ND1 2.92Å; E320-H356 WeakPolarHBondContact OE2-CB 3.03Å; E320-H356 IonicContact OE2-CG 3.81Å; E320-H356 IonicContact OE2-ND1 3.64Å; E320-H356 PolarHBondContact OE2-ND1 2.93Å; A353-H356 HydrophobicContact CB-CB 3.87Å; A353-H356 PolarHBondContact O-N 3.35Å; H356-L358 PolarHBondContact O-N 2.05Å; H356-L359 PolarHBondContact O-N 3.36Å; H356-S360 PolarHBondContact CE1-OG 3.5Å; H356-S360 WeakPolarHBondContact O-CB 3.35Å; H356-S360 PolarHBondContact O-N 2.89Å; H356-S360 PolarHBondContact O-OG 3.49Å
357T84.9Confident79.5Confident53 Ų5369.2 Ų69.233%0.32536%0.364SS..Hα-helixtrans-62.9-43.8-179.7-54.10000111.4F348 A353 P354 N361F348-T357 HydrophobicContact CD1-CG2 3.59Å; F348-T357 HydrophobicContact CE1-CG2 4.17Å; F348-T357 HydrophobicContact CG-CG2 4.37Å; A353-T357 WeakPolarHBondContact O-CB 3.28Å; A353-T357 PolarHBondContact O-N 3.01Å; A353-T357 PolarHBondContact O-OG1 2.8Å; P354-T357 PolarHBondContact O-N 2.98Å; T357-N361 VanDerWaalsContact O-CB 3.26Å; T357-N361 WeakPolarHBondContact O-CB 3.45Å; T357-N361 PolarHBondContact O-N 2.9Å
358L85.4Confident79.1Confident0 Ų063.9 Ų63.90%034%0.336CS..Hα-helixtrans-60.7-51176.6-178.790.1000111.6W331 L334 Y340 L345 F348 P354 A355 H356 N361 W362W331-L358 HydrophobicContact CB-CD2 4.36Å; W331-L358 WeakPolarHBondContact O-CD2 3.47Å; L334-L358 HydrophobicContact CB-CD2 4.42Å; L334-L358 HydrophobicContact CD2-CD2 4.47Å; L334-L358 HydrophobicContact CG-CD2 4.41Å; Y340-L358 HydrophobicContact CD2-CD1 4.2Å; Y340-L358 HydrophobicContact CE2-CD1 4.32Å; Y340-L358 HydrophobicContact CG-CD1 4.44Å; L345-L358 HydrophobicContact CD2-CD1 3.56Å; F348-L358 HydrophobicContact CD2-CD1 3.83Å; F348-L358 HydrophobicContact CE2-CD1 4.02Å; P354-L358 WeakPolarHBondContact O-CB 3.45Å; P354-L358 PolarHBondContact O-N 3.38Å; A355-L358 PolarHBondContact O-N 3.49Å; H356-L358 PolarHBondContact O-N 2.05Å; L358-N361 PolarHBondContact O-N 3.44Å; L358-W362 VanDerWaalsContact O-CB 3.32Å; L358-W362 WeakPolarHBondContact O-CB 3.25Å; L358-W362 PolarHBondContact O-N 3.39Å
359L83.5Confident79Confident0 Ų063.2 Ų63.20%034%0.335CS..Hα-helixtrans-68.9-38.6-176.2-70.9176.2000111.7Y308 V319 E320 L323 L334 A355 H356 W362 A363 L373Y308-L359 HydrophobicContact CE1-CB 3.97Å; Y308-L359 WeakPolarHBondContact OH-CD1 3.29Å; V319-L359 HydrophobicContact CG1-CD1 4.09Å; E320-L359 HydrophobicContact CG-CD1 3.81Å; L323-L359 HydrophobicContact CD1-CD1 3.89Å; L334-L359 HydrophobicContact CD2-CD2 3.97Å; A355-L359 WeakPolarHBondContact O-CG 3.48Å; A355-L359 PolarHBondContact O-N 2.76Å; A355-L359 VanDerWaalsContact O-N 3.08Å; H356-L359 PolarHBondContact O-N 3.36Å; L359-W362 PolarHBondContact O-N 2Å; L359-A363 WeakPolarHBondContact O-CB 3.06Å; L359-A363 PolarHBondContact O-N 3.21Å; L359-L373 HydrophobicContact CD2-CD1 3.91Å
360S82.8Confident78.9Confident38 Ų3861.9 Ų61.927%0.26632%0.32SS..Hα-helixtrans-64.2-41.3173.9-65.80000112.2H356 A363 Q364H356-S360 PolarHBondContact CE1-OG 3.5Å; H356-S360 WeakPolarHBondContact O-CB 3.35Å; H356-S360 PolarHBondContact O-N 2.89Å; H356-S360 PolarHBondContact O-OG 3.49Å; S360-A363 PolarHBondContact O-N 2.95Å; S360-Q364 WeakPolarHBondContact O-CG 3.27Å
361N84.9Confident78.5Confident58 Ų5852.6 Ų52.631%0.3129%0.29SS..Hα-helixtrans-67.7-40.1175.3-169.1-101.5000111.8Y340 F348 T357 L358 Q364Y340-N361 WeakPolarHBondContact CE1-OD1 3.34Å; Y340-N361 PolarHBondContact OH-OD1 3.14Å; F348-N361 HydrophobicContact CE1-CB 4.36Å; F348-N361 HydrophobicContact CZ-CB 4.16Å; T357-N361 VanDerWaalsContact O-CB 3.26Å; T357-N361 WeakPolarHBondContact O-CB 3.45Å; T357-N361 PolarHBondContact O-N 2.9Å; L358-N361 PolarHBondContact O-N 3.44Å; N361-Q364 PolarHBondContact O-N 2.75Å
362W83.3Confident78.8Confident16 Ų1655.1 Ų55.16%0.06129%0.294CS..Hα-helixtrans-67.6-37176.9179.477.2000112.5Y308 L338 Y340 L358 L359 Q364 R365 S368 T369 L372 L373Y308-W362 HydrophobicContact CG-CZ3 4.1Å; L338-W362 HydrophobicContact CD1-CB 4.45Å; L338-W362 HydrophobicContact CD1-CD2 4.14Å; L338-W362 HydrophobicContact CD1-CG 3.9Å; L338-W362 HydrophobicContact CD2-CD2 4.47Å; L338-W362 HydrophobicContact CD2-CZ2 4.13Å; Y340-W362 HydrophobicContact CE2-CB 4.17Å; Y340-W362 HydrophobicContact CE2-CG 4.49Å; Y340-W362 WeakPolarHBondContact OH-CA 3.21Å; Y340-W362 WeakPolarHBondContact OH-CB 3.07Å; Y340-W362 PolarHBondContact OH-N 2.93Å; Y340-W362 VanDerWaalsContact OH-N 3.15Å; L358-W362 VanDerWaalsContact O-CB 3.32Å; L358-W362 WeakPolarHBondContact O-CB 3.25Å; L358-W362 PolarHBondContact O-N 3.39Å; L359-W362 PolarHBondContact O-N 2Å; W362-Q364 PolarHBondContact O-N 3.13Å; W362-R365 WeakPolarHBondContact O-CB 3.05Å; W362-R365 PolarHBondContact O-N 2.94Å; W362-S368 WeakPolarHBondContact O-CB 3.46Å; W362-T369 WeakPolarHBondContact CH2-O 3.04Å; W362-L372 HydrophobicContact CZ2-CB 4.21Å; W362-L373 HydrophobicContact CH2-CB 3.66Å; W362-L373 HydrophobicContact CZ2-CB 4.45Å; W362-L373 HydrophobicContact CZ3-CB 3.94Å; W362-L373 HydrophobicContact CZ3-CD1 4.26Å; W362-L373 HydrophobicContact CZ3-CD2 4.19Å; W362-L373 HydrophobicContact CZ3-CG 4.36Å
363A81.4Confident79.2Confident14 Ų1445.5 Ų45.512%0.11625%0.249CC..Hα-helixtrans-65-17.1177.600000113.9Y308 V309 L359 S360 S368Y308-A363 HydrophobicContact CD1-CB 3.73Å; Y308-A363 HydrophobicContact CE1-CB 4.49Å; V309-A363 HydrophobicContact CG2-CB 3.71Å; L359-A363 WeakPolarHBondContact O-CB 3.06Å; L359-A363 PolarHBondContact O-N 3.21Å; S360-A363 PolarHBondContact O-N 2.95Å; A363-S368 PolarHBondContact O-OG 3.34Å
364Q79.6Confident78.9Confident159 Ų15944.1 Ų44.174%0.74324%0.236SC*.THydrogen-bonded Turntrans-87.8-10.5174.4-67.3172.68.900113S360 N361 W362S360-Q364 WeakPolarHBondContact O-CG 3.27Å; N361-Q364 PolarHBondContact O-N 2.75Å; W362-Q364 PolarHBondContact O-N 3.13Å
365R77.6Confident78.8Confident95 Ų9546.8 Ų46.836%0.35826%0.255SS..SBendtrans-79.3141.2177.7-64.9-173.6175.2-161.4-3.1111Y340 W362 G367 S368Y340-R365 PolarHBondContact OH-NE 3.1Å; W362-R365 WeakPolarHBondContact O-CB 3.05Å; W362-R365 PolarHBondContact O-N 2.94Å; R365-G367 PolarHBondContact O-N 3.36Å; R365-S368 PolarHBondContact O-N 3.23Å
366E62.1Low78.7Confident206 Ų20647 Ų4796%0.96326%0.257SS*.THydrogen-bonded Turntrans-61.2123176.8-64.8-173.7172.100110.5
367G65.8Low78.6Confident44 Ų4442.9 Ų42.945%0.45424%0.238SC..THydrogen-bonded Turntrans95.613.5-17900000115.8R365 T369 L372R365-G367 PolarHBondContact O-N 3.36Å; G367-T369 PolarHBondContact O-N 3.08Å; G367-L372 VanDerWaalsContact O-CD1 3.28Å; G367-L372 WeakPolarHBondContact O-CD1 3.31Å
368S73Confident78.2Confident4 Ų444.8 Ų44.83%0.02825%0.246CC..  trans-67.768.7177.667.40000114L307 Y308 W362 A363 R365L307-S368 WeakPolarHBondContact CA-O 2.96Å; Y308-S368 PolarHBondContact N-O 3.02Å; Y308-S368 VanDerWaalsContact N-O 3.16Å; W362-S368 WeakPolarHBondContact O-CB 3.46Å; A363-S368 PolarHBondContact O-OG 3.34Å; R365-S368 PolarHBondContact O-N 3.23Å
369T80Confident77.9Confident17 Ų1752.9 Ų52.910%0.10428%0.276CS..BIsolated β-bridgetrans-86.8145.5-178.859.70000111.8W362 G367 G371 L372 L373W362-T369 WeakPolarHBondContact CH2-O 3.04Å; G367-T369 PolarHBondContact O-N 3.08Å; T369-G371 PolarHBondContact O-N 2.87Å; T369-G371 VanDerWaalsContact O-N 3.15Å; T369-L372 PolarHBondContact O-N 3.5Å; T369-L372 WeakPolarHBondContact OG1-CG 3.23Å; T369-L372 PolarHBondContact OG1-N 2.79Å; T369-L373 PolarHBondContact O-N 3.44Å; T369-L373 VanDerWaalsContact O-N 3.14Å
370L74.5Confident77.7Confident5 Ų553.6 Ų53.63%0.02628%0.28CS..Hα-helixtrans-57.2-28.7174.1-70.6-177.9000112.1R306 Y308 L311 S374 I389R306-L370 HydrophobicContact CB-CD1 3.99Å; R306-L370 HydrophobicContact CB-CG 4.43Å; R306-L370 HydrophobicContact CG-CD1 4.02Å; R306-L370 WeakPolarHBondContact O-CG 3.44Å; R306-L370 PolarHBondContact O-N 3.29Å; Y308-L370 HydrophobicContact CD2-CD2 3.85Å; Y308-L370 HydrophobicContact CG-CD2 4.47Å; L311-L370 HydrophobicContact CD1-CD1 4.29Å; L370-S374 VanDerWaalsContact O-CB 3.24Å; L370-S374 WeakPolarHBondContact O-CB 2.98Å; L370-S374 PolarHBondContact O-N 3.06Å; L370-S374 PolarHBondContact O-OG 2.82Å; L370-I389 HydrophobicContact CB-CG2 4.47Å; L370-I389 HydrophobicContact CD1-CG2 4.21Å; L370-I389 HydrophobicContact CD2-CG2 3.87Å; L370-I389 HydrophobicContact CG-CG2 4.41Å
371G71.9Confident77.3Confident16 Ų1657.6 Ų57.617%0.16530%0.295CS..Hα-helixtrans-61.6-43.4171.700000114D304 T369 S375D304-G371 PolarHBondContact O-N 3.32Å; T369-G371 PolarHBondContact O-N 2.87Å; T369-G371 VanDerWaalsContact O-N 3.15Å; G371-S375 WeakPolarHBondContact O-CB 3.25Å; G371-S375 PolarHBondContact O-N 3.47Å
372L78.8Confident76.6Confident91 Ų9156 Ų5648%0.47629%0.285SS..Hα-helixtrans-70.3-39.9177-74.9175000112W362 G367 T369 S375 A376W362-L372 HydrophobicContact CZ2-CB 4.21Å; G367-L372 VanDerWaalsContact O-CD1 3.28Å; G367-L372 WeakPolarHBondContact O-CD1 3.31Å; T369-L372 PolarHBondContact O-N 3.5Å; T369-L372 WeakPolarHBondContact OG1-CG 3.23Å; T369-L372 PolarHBondContact OG1-N 2.79Å; L372-S375 PolarHBondContact O-N 3.25Å; L372-A376 WeakPolarHBondContact O-CB 3.46Å; L372-A376 PolarHBondContact O-N 3.09Å
373L81.1Confident75.9Confident0 Ų059.3 Ų59.30%031%0.308CS..Hα-helixtrans-62.7-45.5174.3-174.161.8000111.2Y308 L334 L338 L359 W362 T369 S375 A376 L377 I389Y308-L373 HydrophobicContact CD2-CD2 3.3Å; Y308-L373 HydrophobicContact CE2-CD2 3.51Å; Y308-L373 HydrophobicContact CG-CD2 4.3Å; L334-L373 HydrophobicContact CD1-CD1 4.23Å; L334-L373 HydrophobicContact CD2-CD1 4.14Å; L338-L373 HydrophobicContact CD1-CD1 4.36Å; L359-L373 HydrophobicContact CD2-CD1 3.91Å; W362-L373 HydrophobicContact CH2-CB 3.66Å; W362-L373 HydrophobicContact CZ2-CB 4.45Å; W362-L373 HydrophobicContact CZ3-CB 3.94Å; W362-L373 HydrophobicContact CZ3-CD1 4.26Å; W362-L373 HydrophobicContact CZ3-CD2 4.19Å; W362-L373 HydrophobicContact CZ3-CG 4.36Å; T369-L373 PolarHBondContact O-N 3.44Å; T369-L373 VanDerWaalsContact O-N 3.14Å; L373-S375 VanDerWaalsContact C-N 3.31Å; L373-S375 PolarHBondContact O-N 3.09Å; L373-A376 PolarHBondContact O-N 2.72Å; L373-L377 HydrophobicContact CD1-CD1 4.36Å; L373-L377 HydrophobicContact CD1-CG 4.43Å; L373-L377 HydrophobicContact CG-CD1 3.94Å; L373-L377 HydrophobicContact CG-CG 4.43Å; L373-L377 WeakPolarHBondContact O-CB 3.48Å; L373-L377 VanDerWaalsContact O-CG 3.25Å; L373-L377 WeakPolarHBondContact O-CG 3.37Å; L373-L377 PolarHBondContact O-N 3.32Å; L373-I389 HydrophobicContact CD2-CD1 3.67Å; L373-I389 HydrophobicContact CG-CD1 4.03Å
374S77.3Confident75.6Confident15 Ų1561.3 Ų61.311%0.10532%0.317CS..Hα-helixtrans-64-36.4178-60.80000112.1L370 N378L370-S374 VanDerWaalsContact O-CB 3.24Å; L370-S374 WeakPolarHBondContact O-CB 2.98Å; L370-S374 PolarHBondContact O-N 3.06Å; L370-S374 PolarHBondContact O-OG 2.82Å; S374-N378 WeakPolarHBondContact O-CB 3.31Å; S374-N378 PolarHBondContact O-N 3.3Å; S374-N378 PolarHBondContact O-ND2 3.35Å
375S79.6Confident75.3Confident65 Ų6553.8 Ų53.846%0.45528%0.281SS..Hα-helixtrans-66.6-44.4174.4-174.10000111.9G371 L372 L373 N378 R379G371-S375 WeakPolarHBondContact O-CB 3.25Å; G371-S375 PolarHBondContact O-N 3.47Å; L372-S375 PolarHBondContact O-N 3.25Å; L373-S375 VanDerWaalsContact C-N 3.31Å; L373-S375 PolarHBondContact O-N 3.09Å; S375-N378 PolarHBondContact O-N 3.49Å; S375-R379 WeakPolarHBondContact O-CG 3.27Å; S375-R379 PolarHBondContact O-N 3.37Å
376A81.5Confident75.1Confident5 Ų550 Ų504%0.04127%0.269CS..Hα-helixtrans-64.8-40.3176.400000112.1L334 A337 L338 L372 L373 R379 I380L334-A376 HydrophobicContact CD1-CB 3.85Å; A337-A376 HydrophobicContact CB-CB 4.11Å; L338-A376 HydrophobicContact CD2-CB 3.62Å; L338-A376 HydrophobicContact CG-CB 4.2Å; L372-A376 WeakPolarHBondContact O-CB 3.46Å; L372-A376 PolarHBondContact O-N 3.09Å; L373-A376 PolarHBondContact O-N 2.72Å; A376-R379 WeakPolarHBondContact O-CB 3.37Å; A376-R379 PolarHBondContact O-N 3.04Å; A376-I380 PolarHBondContact O-N 2.97Å; A376-I380 VanDerWaalsContact O-N 3.16Å
377L80.9Confident75.6Confident0 Ų044.5 Ų44.50%025%0.25CC..Hα-helixtrans-65.5-37.8175.4-73.2170.5000112.6L323 L334 L373 I380 E381 R382 A385 V386 I389L323-L377 HydrophobicContact CD2-CD2 4.12Å; L334-L377 HydrophobicContact CD1-CD2 3.82Å; L334-L377 HydrophobicContact CD1-CG 4.05Å; L334-L377 HydrophobicContact CD2-CD2 3.89Å; L334-L377 HydrophobicContact CG-CD2 4.42Å; L373-L377 HydrophobicContact CD1-CD1 4.36Å; L373-L377 HydrophobicContact CD1-CG 4.43Å; L373-L377 HydrophobicContact CG-CD1 3.94Å; L373-L377 HydrophobicContact CG-CG 4.43Å; L373-L377 WeakPolarHBondContact O-CB 3.48Å; L373-L377 VanDerWaalsContact O-CG 3.25Å; L373-L377 WeakPolarHBondContact O-CG 3.37Å; L373-L377 PolarHBondContact O-N 3.32Å; L377-I380 HydrophobicContact CD2-CD1 3.9Å; L377-I380 WeakPolarHBondContact O-CG1 3.29Å; L377-I380 PolarHBondContact O-N 3.21Å; L377-E381 PolarHBondContact O-N 3.47Å; L377-R382 PolarHBondContact O-N 3.5Å; L377-A385 HydrophobicContact CD1-CB 3.94Å; L377-A385 HydrophobicContact CD2-CB 3.81Å; L377-A385 HydrophobicContact CG-CB 4.43Å; L377-V386 HydrophobicContact CB-CG2 3.45Å; L377-V386 VanDerWaalsContact CB-CG2 3.45Å; L377-V386 HydrophobicContact CD1-CG2 4.2Å; L377-V386 HydrophobicContact CG-CG2 4.49Å; L377-I389 HydrophobicContact CD1-CD1 3.37Å
378N77.4Confident76Confident92 Ų9243.1 Ų43.149%0.49223%0.233SC..Hα-helixtrans-65.8-37.3172-80.8-31.9000112.2S374 S375 I380 E381S374-N378 WeakPolarHBondContact O-CB 3.31Å; S374-N378 PolarHBondContact O-N 3.3Å; S374-N378 PolarHBondContact O-ND2 3.35Å; S375-N378 PolarHBondContact O-N 3.49Å; N378-I380 VanDerWaalsContact C-N 3.29Å; N378-I380 PolarHBondContact O-N 2.84Å; N378-E381 PolarHBondContact O-N 3.23Å
379R78.9Confident76Confident170 Ų17043.2 Ų43.264%0.64223%0.234SC*.Hα-helixtrans-64.5-31.2175.9-78.5177.858.2-140.2-4.3113.4A337 S375 A376A337-R379 PolarHBondContact O-NH1 3.44Å; S375-R379 WeakPolarHBondContact O-CG 3.27Å; S375-R379 PolarHBondContact O-N 3.37Å; A376-R379 WeakPolarHBondContact O-CB 3.37Å; A376-R379 PolarHBondContact O-N 3.04Å
380I79.3Confident75.3Confident16 Ų1646.6 Ų46.68%0.08225%0.251CS..THydrogen-bonded Turntrans-88.811.6174.367.2169.3000112.4L323 R329 H333 L334 A337 A376 L377 N378 R382L323-I380 HydrophobicContact CD2-CD1 4.44Å; R329-I380 WeakPolarHBondContact CD-O 3.25Å; R329-I380 PolarHBondContact NE-O 3.31Å; R329-I380 VanDerWaalsContact NE-O 3.12Å; H333-I380 HydrophobicContact CB-CG2 4.11Å; L334-I380 HydrophobicContact CB-CD1 4Å; L334-I380 HydrophobicContact CD1-CD1 4.24Å; A337-I380 HydrophobicContact CB-CG2 4.04Å; A376-I380 PolarHBondContact O-N 2.97Å; A376-I380 VanDerWaalsContact O-N 3.16Å; L377-I380 HydrophobicContact CD2-CD1 3.9Å; L377-I380 WeakPolarHBondContact O-CG1 3.29Å; L377-I380 PolarHBondContact O-N 3.21Å; N378-I380 VanDerWaalsContact C-N 3.29Å; N378-I380 PolarHBondContact O-N 2.84Å; I380-R382 VanDerWaalsContact C-N 3.3Å; I380-R382 HydrophobicContact CD1-CB 4.14Å; I380-R382 HydrophobicContact CD1-CG 3.83Å; I380-R382 HydrophobicContact CG1-CB 3.99Å; I380-R382 HydrophobicContact CG1-CG 3.84Å; I380-R382 PolarHBondContact O-N 3.4Å
381E73.6Confident74.6Confident122 Ų12249.4 Ų49.457%0.5727%0.271SS*.THydrogen-bonded Turntrans52.545.2179.8-61.9177.4175.500112.9R329 L377 N378 P383R329-E381 IonicContact CZ-OE2 3.41Å; R329-E381 IonicContact NH1-OE2 3.08Å; R329-E381 PolarHBondContact NH1-OE2 3.19Å; R329-E381 PolarHBondContact NH2-O 3.48Å; R329-E381 IonicContact NH2-OE2 3.25Å; R329-E381 PolarHBondContact NH2-OE2 3.28Å; R329-E381 VanDerWaalsContact NH2-OE2 3.07Å; L377-E381 PolarHBondContact O-N 3.47Å; N378-E381 PolarHBondContact O-N 3.23Å; E381-P383 VanDerWaalsContact O-CD 3.25Å; E381-P383 WeakPolarHBondContact O-CD 3.41Å
382R71.3Confident73.4Confident25 Ų2555.1 Ų55.19%0.09430%0.303CS..  trans-115.373.2176.1-69.4-60.7-62.2-89.37.3111.4L322 R329 L377 I380 D384 A385 V386L322-R382 PolarHBondContact O-NH1 2.04Å; L322-R382 PolarHBondContact O-NH2 3.22Å; R329-R382 HydrophobicContact CB-CG 4.48Å; R329-R382 PolarHBondContact O-NH1 3.25Å; L377-R382 PolarHBondContact O-N 3.5Å; I380-R382 VanDerWaalsContact C-N 3.3Å; I380-R382 HydrophobicContact CD1-CB 4.14Å; I380-R382 HydrophobicContact CD1-CG 3.83Å; I380-R382 HydrophobicContact CG1-CB 3.99Å; I380-R382 HydrophobicContact CG1-CG 3.84Å; I380-R382 PolarHBondContact O-N 3.4Å; R382-D384 VanDerWaalsContact CA-OD1 3.27Å; R382-D384 WeakPolarHBondContact CA-OD1 3.22Å; R382-D384 WeakPolarHBondContact CB-OD1 3.24Å; R382-D384 IonicContact CZ-OD1 3.49Å; R382-D384 IonicContact CZ-OD2 2.86Å; R382-D384 VanDerWaalsContact CZ-OD2 3.25Å; R382-D384 IonicContact NE-OD1 3.92Å; R382-D384 PolarHBondContact NE-OD1 2.86Å; R382-D384 IonicContact NE-OD2 3.92Å; R382-D384 PolarHBondContact NE-OD2 2.62Å; R382-D384 IonicContact NH2-OD1 2.97Å; R382-D384 IonicContact NH2-OD2 3.74Å; R382-D384 PolarHBondContact NH2-OD2 2.98Å; R382-D384 PolarHBondContact O-N 2.75Å; R382-A385 HydrophobicContact CB-CB 4.49Å; R382-A385 PolarHBondContact O-N 3.3Å; R382-V386 PolarHBondContact O-N 3.35Å
383P69.1Low71.5Confident85 Ų8559.1 Ų59.155%0.55232%0.319SS*.Hα-helixtrans-68.5-22179.630.3-35.5000112.5E381 V386 T387E381-P383 VanDerWaalsContact O-CD 3.25Å; E381-P383 WeakPolarHBondContact O-CD 3.41Å; P383-V386 PolarHBondContact O-N 3.38Å; P383-T387 PolarHBondContact O-N 3.33Å; P383-T387 PolarHBondContact O-OG1 2.95Å
384D74Confident69.4Low56 Ų5667.8 Ų67.830%0.29936%0.36SS..Hα-helixtrans-60.7-48.4175.355.8-27.5000112.4R382 V386 T387 A388R382-D384 VanDerWaalsContact CA-OD1 3.27Å; R382-D384 WeakPolarHBondContact CA-OD1 3.22Å; R382-D384 WeakPolarHBondContact CB-OD1 3.24Å; R382-D384 IonicContact CZ-OD1 3.49Å; R382-D384 IonicContact CZ-OD2 2.86Å; R382-D384 VanDerWaalsContact CZ-OD2 3.25Å; R382-D384 IonicContact NE-OD1 3.92Å; R382-D384 PolarHBondContact NE-OD1 2.86Å; R382-D384 IonicContact NE-OD2 3.92Å; R382-D384 PolarHBondContact NE-OD2 2.62Å; R382-D384 IonicContact NH2-OD1 2.97Å; R382-D384 IonicContact NH2-OD2 3.74Å; R382-D384 PolarHBondContact NH2-OD2 2.98Å; R382-D384 PolarHBondContact O-N 2.75Å; D384-V386 VanDerWaalsContact C-N 3.32Å; D384-V386 PolarHBondContact O-N 3.35Å; D384-T387 VanDerWaalsContact CA-OG1 3.31Å; D384-T387 WeakPolarHBondContact CA-OG1 3.39Å; D384-T387 PolarHBondContact O-N 2.96Å; D384-T387 PolarHBondContact O-OG1 3.36Å; D384-A388 PolarHBondContact O-N 3.27Å; D384-A388 VanDerWaalsContact O-N 3.09Å
385A73.8Confident67.6Low0 Ų070.6 Ų70.60%039%0.391CS..Hα-helixtrans-66.9-33.4174.500000112.2L377 R382 A388 I389L377-A385 HydrophobicContact CD1-CB 3.94Å; L377-A385 HydrophobicContact CD2-CB 3.81Å; L377-A385 HydrophobicContact CG-CB 4.43Å; R382-A385 HydrophobicContact CB-CB 4.49Å; R382-A385 PolarHBondContact O-N 3.3Å; A385-A388 PolarHBondContact O-N 2.89Å; A385-I389 WeakPolarHBondContact O-CG1 3.36Å; A385-I389 PolarHBondContact O-N 3Å
386V73.4Confident65.4Low16 Ų1673.7 Ų73.710%0.09741%0.407CS..Hα-helixtrans-68.1-38.1175.31780000111.3L377 R382 P383 D384 I389 N390L377-V386 HydrophobicContact CB-CG2 3.45Å; L377-V386 VanDerWaalsContact CB-CG2 3.45Å; L377-V386 HydrophobicContact CD1-CG2 4.2Å; L377-V386 HydrophobicContact CG-CG2 4.49Å; R382-V386 PolarHBondContact O-N 3.35Å; P383-V386 PolarHBondContact O-N 3.38Å; D384-V386 VanDerWaalsContact C-N 3.32Å; D384-V386 PolarHBondContact O-N 3.35Å; V386-I389 PolarHBondContact O-N 3.14Å; V386-N390 WeakPolarHBondContact CG1-ND2 3.38Å; V386-N390 WeakPolarHBondContact O-CB 3.43Å; V386-N390 PolarHBondContact O-N 3.14Å; V386-N390 VanDerWaalsContact O-N 3.12Å; V386-N390 PolarHBondContact O-ND2 2.99Å
387T73.3Confident63.1Low91 Ų9178.9 Ų78.956%0.55844%0.443SS*.Hα-helixtrans-66.9-36.4173.334.80000112.9P383 D384 I389 N390 S391P383-T387 PolarHBondContact O-N 3.33Å; P383-T387 PolarHBondContact O-OG1 2.95Å; D384-T387 VanDerWaalsContact CA-OG1 3.31Å; D384-T387 WeakPolarHBondContact CA-OG1 3.39Å; D384-T387 PolarHBondContact O-N 2.96Å; D384-T387 PolarHBondContact O-OG1 3.36Å; T387-I389 VanDerWaalsContact C-N 3.34Å; T387-I389 PolarHBondContact O-N 3.47Å; T387-N390 PolarHBondContact O-N 3.12Å; T387-S391 WeakPolarHBondContact O-CB 3.4Å; T387-S391 PolarHBondContact O-N 3.04Å; T387-S391 PolarHBondContact O-OG 3.44Å
388A73.4Confident60.9Low14 Ų1484.4 Ų84.412%0.11648%0.476CS..Hα-helixtrans-62.4-40.2175.600000112.1E318 V319 L322 D384 A385 S391E318-A388 HydrophobicContact CG-CB 4.34Å; V319-A388 HydrophobicContact CG2-CB 3.93Å; L322-A388 HydrophobicContact CD1-CB 4.13Å; D384-A388 PolarHBondContact O-N 3.27Å; D384-A388 VanDerWaalsContact O-N 3.09Å; A385-A388 PolarHBondContact O-N 2.89Å; A388-S391 PolarHBondContact O-OG 2.87Å
389I73Confident58.9Low7 Ų789.8 Ų89.84%0.03651%0.512CS..Hα-helixtrans-67.5-42.8175.9-65166.1000111.5V319 L370 L373 L377 A385 V386 T387V319-I389 HydrophobicContact CG2-CD1 4.3Å; V319-I389 HydrophobicContact CG2-CG1 3.63Å; L370-I389 HydrophobicContact CB-CG2 4.47Å; L370-I389 HydrophobicContact CD1-CG2 4.21Å; L370-I389 HydrophobicContact CD2-CG2 3.87Å; L370-I389 HydrophobicContact CG-CG2 4.41Å; L373-I389 HydrophobicContact CD2-CD1 3.67Å; L373-I389 HydrophobicContact CG-CD1 4.03Å; L377-I389 HydrophobicContact CD1-CD1 3.37Å; A385-I389 WeakPolarHBondContact O-CG1 3.36Å; A385-I389 PolarHBondContact O-N 3Å; V386-I389 PolarHBondContact O-N 3.14Å; T387-I389 VanDerWaalsContact C-N 3.34Å; T387-I389 PolarHBondContact O-N 3.47Å
390N66.1Low57.9Low87 Ų8785.8 Ų85.847%0.46551%0.506SS..Hα-helixtrans-90.2-9.3-170.6-70.8-42.2000115.9V386 T387 T392V386-N390 WeakPolarHBondContact CG1-ND2 3.38Å; V386-N390 WeakPolarHBondContact O-CB 3.43Å; V386-N390 PolarHBondContact O-N 3.14Å; V386-N390 VanDerWaalsContact O-N 3.12Å; V386-N390 PolarHBondContact O-ND2 2.99Å; T387-N390 PolarHBondContact O-N 3.12Å; N390-T392 PolarHBondContact O-N 3.44Å; N390-T392 VanDerWaalsContact O-N 3.14Å
391S59Low56.8Low65 Ų6589.4 Ų89.446%0.45553%0.528SS..  trans-69.4108.2-177.255.10000112.3K315 T387 A388K315-S391 PolarHBondContact NZ-O 3.49Å; T387-S391 WeakPolarHBondContact O-CB 3.4Å; T387-S391 PolarHBondContact O-N 3.04Å; T387-S391 PolarHBondContact O-OG 3.44Å; A388-S391 PolarHBondContact O-OG 2.87Å
392T45.9Very low55.9Low135 Ų13587.6 Ų87.683%0.82853%0.526SS*.  trans-74.4129.3167.625.10000109.7N390 Q394N390-T392 PolarHBondContact O-N 3.44Å; N390-T392 VanDerWaalsContact O-N 3.14Å; T392-Q394 PolarHBondContact O-N 3.41Å
393Q40.3Very low55Low175 Ų17591.3 Ų91.382%0.81855%0.551SS**  trans-57.8108.2-173.3-159.5175.24.300111.2
394Q35.6Very low54.1Low182 Ų18291.7 Ų91.785%0.8555%0.551SS**  trans-75.1122.7156.3-102.5166.3-17.400107.1T392 V396T392-Q394 PolarHBondContact O-N 3.41Å; Q394-V396 PolarHBondContact O-N 3.05Å
395G39.1Very low52.8Low74 Ų7494.1 Ų94.176%0.76357%0.568SS**  trans-56.3130.8-179.300000111.8
396V34.3Very low51.3Low130 Ų130100.8 Ų100.879%0.78861%0.608SS**  trans-103.689.2163.5176.60000106.4Q394 V398Q394-V396 PolarHBondContact O-N 3.05Å; V396-V398 HydrophobicContact CG1-CG2 3.63Å
397S33.3Very low49.6Very low114 Ų114107.3 Ų107.380%0.79765%0.648SS**  trans-66.5121.5152.9156.50000107.6
398V35Very low47.6Very low116 Ų116108.7 Ų108.770%0.70366%0.655SS**  trans-141.3105.2159.6-1750000109.2V396V396-V398 HydrophobicContact CG1-CG2 3.63Å
399V36.1Very low45.2Very low205 Ų205117.3 Ų117.3100%1.24270%0.704SS**  trans37.70140.2-172.60000118.9

Retrieved 399 of 399 residues in 549 ms (Link to these results)