A0A087Y258_POEFO Loading...

PAX-interacting protein 1

AlphaFold DB , UniProt , Accession A0A087Y258, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,047 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
1M35.1Very low57.5Low215 Ų215116 Ų116100%1.05959%0.588SS**  0113.10-56.2-53.3-8100106.1
2S29.2Very low60Low80 Ų80108.2 Ų108.256%0.55955%0.548SS*.  trans-64.6155.51778.60000110.8E4S2-E4 PolarHBondContact O-N 3.43Å; S2-E4 VanDerWaalsContact O-N 3.08Å; S2-E4 PolarHBondContact OG-OE1 3.48Å
3E34.8Very low62.4Low175 Ų17599.8 Ų99.882%0.81851%0.506SS*.  trans-80.672.8163.5-68.2-163.698.500109.7K27E3-K27 IonicContact OE1-NZ 3.17Å
4E44.2Very low64.1Low146 Ų146102.2 Ų102.268%0.68251%0.511SS*.  trans-69.2138.6165.8-75.9157.2-156.300109.5S2 I6S2-E4 PolarHBondContact O-N 3.43Å; S2-E4 VanDerWaalsContact O-N 3.08Å; S2-E4 PolarHBondContact OG-OE1 3.48Å; E4-I6 WeakPolarHBondContact O-CG1 3.48Å; E4-I6 PolarHBondContact O-N 3.21Å; E4-I6 VanDerWaalsContact O-N 3.07Å
5E49.7Very low65.4Low196 Ų196103.5 Ų103.592%0.91652%0.52SS*.  trans-61.4112.9177.9-70.2-170.3117.600110K7E5-K7 VanDerWaalsContact C-N 3.34Å; E5-K7 PolarHBondContact O-N 3.49Å
6I63Low66.8Low48 Ų4897.2 Ų97.225%0.24649%0.489CS..  trans-75.987.4-173.2-50.3-178.1000109.3E4 V8 L31 I77 V80 R81E4-I6 WeakPolarHBondContact O-CG1 3.48Å; E4-I6 PolarHBondContact O-N 3.21Å; E4-I6 VanDerWaalsContact O-N 3.07Å; I6-V8 PolarHBondContact O-N 3.49Å; I6-L31 HydrophobicContact CB-CD2 4.46Å; I6-L31 HydrophobicContact CG2-CD2 4.47Å; I6-I77 HydrophobicContact CD1-CG2 4.41Å; I6-V80 HydrophobicContact CG2-CB 4.19Å; I6-V80 HydrophobicContact CG2-CG1 3.41Å; I6-V80 VanDerWaalsContact CG2-CG1 3.41Å; I6-R81 HydrophobicContact CG2-CG 4.33Å
7K68.2Low68.1Low196 Ų19696.7 Ų96.785%0.85248%0.483SS*.  trans-66.7108.8177.9-171.4175.3-175.6176.40110.6E5E5-K7 VanDerWaalsContact C-N 3.34Å; E5-K7 PolarHBondContact O-N 3.49Å
8V78.1Confident69.4Low32 Ų3291.3 Ų91.319%0.19446%0.456CS..PPolyproline II helixtrans-71.6131.5-177.6-167.60000110.9I6 L31 A34 V80I6-V8 PolarHBondContact O-N 3.49Å; V8-L31 HydrophobicContact CG2-CD2 3.55Å; V8-A34 HydrophobicContact CB-CB 4.24Å; V8-A34 HydrophobicContact CG2-CB 3.89Å; V8-V80 HydrophobicContact CB-CG1 4.23Å; V8-V80 HydrophobicContact CG1-CG1 4.18Å; V8-V80 HydrophobicContact CG1-CG2 4.27Å; V8-V80 HydrophobicContact CG2-CG1 3.98Å
9P78.6Confident70.3Confident43 Ų4388.6 Ų88.628%0.27944%0.44SS..PPolyproline II helixtrans-63.9136.1170.3-14.626.4000110.8A11 L12P9-A11 PolarHBondContact O-N 3.33Å; P9-L12 HydrophobicContact CB-CB 4.31Å; P9-L12 HydrophobicContact CG-CD2 4.19Å; P9-L12 WeakPolarHBondContact O-CB 3.32Å; P9-L12 PolarHBondContact O-N 3.47Å
10D70.9Confident71.2Confident117 Ų11786.1 Ų86.163%0.62643%0.43SS*.THydrogen-bonded Turntrans-64.7133.9-177.5-171.530.4000111.3L12 K36D10-L12 VanDerWaalsContact C-N 3.28Å; D10-L12 PolarHBondContact O-N 3.4Å; D10-K36 WeakPolarHBondContact OD1-CE 3.46Å; D10-K36 IonicContact OD1-NZ 2.79Å; D10-K36 PolarHBondContact OD1-NZ 3.37Å; D10-K36 IonicContact OD2-NZ 2.73Å; D10-K36 PolarHBondContact OD2-NZ 3.02Å
11A80.6Confident71.7Confident28 Ų2882.2 Ų82.223%0.23141%0.411CS..THydrogen-bonded Turntrans63.514.6-177.300000117.2P9 F13 K14 G35 K36P9-A11 PolarHBondContact O-N 3.33Å; A11-F13 VanDerWaalsContact C-N 3.26Å; A11-F13 PolarHBondContact O-N 3.05Å; A11-K14 HydrophobicContact CB-CB 4.09Å; A11-K14 HydrophobicContact CB-CD 4.05Å; A11-K14 VanDerWaalsContact O-CB 3.32Å; A11-K14 WeakPolarHBondContact O-CB 3.43Å; A11-K14 WeakPolarHBondContact O-CD 3.49Å; A11-K14 WeakPolarHBondContact O-CG 3.46Å; A11-K14 PolarHBondContact O-N 3.31Å; A11-K14 VanDerWaalsContact O-N 3.13Å; A11-G35 CarbonylContact C-O 3.51Å; A11-G35 VanDerWaalsContact C-O 3.3Å; A11-G35 WeakPolarHBondContact CA-O 3.44Å; A11-K36 HydrophobicContact CB-CD 3.96Å
12L87.8Confident73.9Confident22 Ų2274.7 Ų74.712%0.11539%0.389CS..THydrogen-bonded Turntrans-51.4-41.1177.9177.261.8000113.7P9 D10 G35 V80 L85P9-L12 HydrophobicContact CB-CB 4.31Å; P9-L12 HydrophobicContact CG-CD2 4.19Å; P9-L12 WeakPolarHBondContact O-CB 3.32Å; P9-L12 PolarHBondContact O-N 3.47Å; D10-L12 VanDerWaalsContact C-N 3.28Å; D10-L12 PolarHBondContact O-N 3.4Å; L12-G35 PolarHBondContact N-O 3.03Å; L12-V80 HydrophobicContact CD2-CB 4.41Å; L12-V80 HydrophobicContact CD2-CG2 4.03Å; L12-L85 HydrophobicContact CD1-CD2 4.16Å; L12-L85 HydrophobicContact CD1-CG 4.21Å; L12-L85 HydrophobicContact CG-CD2 4.24Å
13F91.1Very high76.2Confident0 Ų078.8 Ų78.80%040%0.404CS..THydrogen-bonded Turntrans-10415.5-177.4-64-61.4000113.1A11 D15 V16 L32 G35 G37 W75 V76 V80 L85A11-F13 VanDerWaalsContact C-N 3.26Å; A11-F13 PolarHBondContact O-N 3.05Å; F13-D15 PolarHBondContact O-N 3.12Å; F13-D15 VanDerWaalsContact O-N 3.07Å; F13-V16 HydrophobicContact CB-CB 4.2Å; F13-V16 HydrophobicContact CB-CG2 4.44Å; F13-V16 HydrophobicContact CD1-CB 4.49Å; F13-V16 HydrophobicContact CD1-CG2 4.14Å; F13-V16 WeakPolarHBondContact O-CA 3.49Å; F13-V16 WeakPolarHBondContact O-CB 3.48Å; F13-V16 PolarHBondContact O-N 3.17Å; F13-L32 HydrophobicContact CD1-CD2 3.91Å; F13-L32 HydrophobicContact CD2-CD2 3.98Å; F13-L32 HydrophobicContact CE1-CD2 4.04Å; F13-L32 HydrophobicContact CE2-CD2 4.09Å; F13-L32 HydrophobicContact CG-CD2 3.89Å; F13-L32 HydrophobicContact CZ-CD2 4.13Å; F13-G35 CarbonylContact C-O 3.3Å; F13-G35 WeakPolarHBondContact CA-O 3.39Å; F13-G35 PolarHBondContact N-O 3.33Å; F13-G37 VanDerWaalsContact O-CA 3.24Å; F13-G37 WeakPolarHBondContact O-CA 3.42Å; F13-W75 HydrophobicContact CD1-CH2 4.36Å; F13-W75 HydrophobicContact CD1-CZ3 4.42Å; F13-W75 HydrophobicContact CE1-CH2 4.07Å; F13-W75 AromaticContact CE1-CZ3 3.96Å; F13-W75 HydrophobicContact CE1-CZ3 3.96Å; F13-V76 HydrophobicContact CE2-CG1 4.04Å; F13-V76 HydrophobicContact CZ-CG1 3.84Å; F13-V80 HydrophobicContact CE2-CG2 3.51Å; F13-V80 HydrophobicContact CZ-CG2 3.77Å; F13-L85 HydrophobicContact CD1-CD2 3.47Å; F13-L85 VanDerWaalsContact CD1-CD2 3.47Å; F13-L85 HydrophobicContact CE1-CD2 3.53Å
14K86.1Confident78.7Confident133 Ų13371.4 Ų71.458%0.57837%0.37SS*.THydrogen-bonded Turntrans-52.9-34.5-172.373.2-164.6-177.2-167.50115.2A11 G35A11-K14 HydrophobicContact CB-CB 4.09Å; A11-K14 HydrophobicContact CB-CD 4.05Å; A11-K14 VanDerWaalsContact O-CB 3.32Å; A11-K14 WeakPolarHBondContact O-CB 3.43Å; A11-K14 WeakPolarHBondContact O-CD 3.49Å; A11-K14 WeakPolarHBondContact O-CG 3.46Å; A11-K14 PolarHBondContact O-N 3.31Å; A11-K14 VanDerWaalsContact O-N 3.13Å; K14-G35 PolarHBondContact N-O 3.41Å
15D84.3Confident80.5Confident121 Ų12170.7 Ų70.765%0.64737%0.367SS*.THydrogen-bonded Turntrans-94-4.5-178.9-60-57.2000112.2F13 K17F13-D15 PolarHBondContact O-N 3.12Å; F13-D15 VanDerWaalsContact O-N 3.07Å; D15-K17 PolarHBondContact O-N 3.29Å
16V87.9Confident82.1Confident3 Ų366.3 Ų66.32%0.01835%0.353CS..  trans-88.7108.3-179.9179.30000109.9F13 F18 G37 K38 H48 W75 L85F13-V16 HydrophobicContact CB-CB 4.2Å; F13-V16 HydrophobicContact CB-CG2 4.44Å; F13-V16 HydrophobicContact CD1-CB 4.49Å; F13-V16 HydrophobicContact CD1-CG2 4.14Å; F13-V16 WeakPolarHBondContact O-CA 3.49Å; F13-V16 WeakPolarHBondContact O-CB 3.48Å; F13-V16 PolarHBondContact O-N 3.17Å; V16-F18 HydrophobicContact CG1-CB 4.33Å; V16-G37 WeakPolarHBondContact O-CA 3.29Å; V16-K38 PolarHBondContact O-N 3.38Å; V16-H48 HydrophobicContact CG1-CB 4.21Å; V16-W75 HydrophobicContact CG2-CH2 4.2Å; V16-L85 HydrophobicContact CG2-CD1 4.45Å
17K88.9Confident83.3Confident89 Ų8969 Ų6939%0.38736%0.363SS..EExtended strand (participates in β ladder)trans-89.5125.9160.3-58.2-178.5-173.2-179.80108.6D15 K38 V40 L45 T47 H48D15-K17 PolarHBondContact O-N 3.29Å; K17-K38 CarbonylContact C-O 3.52Å; K17-K38 VanDerWaalsContact CA-O 3.23Å; K17-K38 WeakPolarHBondContact CA-O 3.41Å; K17-V40 HydrophobicContact CB-CG1 4.11Å; K17-V40 HydrophobicContact CD-CG1 4.48Å; K17-L45 WeakPolarHBondContact CD-O 3.46Å; K17-T47 HydrophobicContact CB-CG2 4.23Å; K17-T47 HydrophobicContact CG-CG2 4.49Å; K17-T47 PolarHBondContact N-OG1 2.95Å; K17-T47 PolarHBondContact O-N 3.39Å; K17-T47 PolarHBondContact O-OG1 3.48Å; K17-H48 PolarHBondContact O-N 3.39Å; K17-H48 VanDerWaalsContact O-N 3.09Å
18F90.3Very high84.3Confident0 Ų059.7 Ų59.70%032%0.323CS..EExtended strand (participates in β ladder)trans-124.1142.1-174.170.4-90.9000113.4V16 V20 V29 L32 K33 K38 E39 V40 H48 I50V16-F18 HydrophobicContact CG1-CB 4.33Å; F18-V20 HydrophobicContact CD2-CG2 3.84Å; F18-V20 HydrophobicContact CE2-CG2 3.93Å; F18-V29 HydrophobicContact CE2-CG1 4.16Å; F18-V29 HydrophobicContact CZ-CG1 4.21Å; F18-L32 HydrophobicContact CB-CD1 4.45Å; F18-L32 HydrophobicContact CD1-CB 4.03Å; F18-L32 HydrophobicContact CD1-CD1 4.02Å; F18-L32 HydrophobicContact CD1-CD2 4.35Å; F18-L32 HydrophobicContact CD1-CG 4.37Å; F18-L32 HydrophobicContact CD2-CD1 3.76Å; F18-L32 HydrophobicContact CE1-CB 3.54Å; F18-L32 HydrophobicContact CE1-CD1 4.13Å; F18-L32 HydrophobicContact CE1-CG 4.32Å; F18-L32 HydrophobicContact CE2-CB 4.45Å; F18-L32 HydrophobicContact CE2-CD1 3.88Å; F18-L32 HydrophobicContact CG-CD1 3.83Å; F18-L32 HydrophobicContact CZ-CB 3.77Å; F18-L32 HydrophobicContact CZ-CD1 4.04Å; F18-K33 HydrophobicContact CE1-CG 4.49Å; F18-K33 HydrophobicContact CZ-CG 4.16Å; F18-K38 PolarHBondContact N-O 3.47Å; F18-E39 HydrophobicContact CD2-CB 4.49Å; F18-E39 HydrophobicContact CD2-CG 4.42Å; F18-E39 HydrophobicContact CE1-CB 4.03Å; F18-E39 HydrophobicContact CE2-CB 3.84Å; F18-E39 HydrophobicContact CE2-CG 3.83Å; F18-E39 HydrophobicContact CZ-CB 3.6Å; F18-E39 HydrophobicContact CZ-CG 4.1Å; F18-E39 WeakPolarHBondContact O-CA 3.46Å; F18-V40 WeakPolarHBondContact O-CG2 3.41Å; F18-V40 PolarHBondContact O-N 3.32Å; F18-H48 WeakPolarHBondContact CA-O 3.3Å; F18-I50 HydrophobicContact CB-CG1 4.21Å; F18-I50 HydrophobicContact CD2-CG1 4.45Å
19Y87.1Confident84.8Confident39 Ų3959.2 Ų59.215%0.15332%0.32CS..EExtended strand (participates in β ladder)trans-119139.4169.5-179.2-107.1000108.3V21 V40 N43 H48 I49 I50 E58Y19-V21 HydrophobicContact CD1-CG2 3.61Å; Y19-V21 HydrophobicContact CE1-CG2 3.51Å; Y19-V40 WeakPolarHBondContact CD2-O 3.41Å; Y19-N43 HydrophobicContact CD1-CB 3.76Å; Y19-N43 HydrophobicContact CE1-CB 4.02Å; Y19-N43 HydrophobicContact CG-CB 4.23Å; Y19-H48 PolarHBondContact N-O 2.99Å; Y19-I49 HydrophobicContact CD1-CD1 4.2Å; Y19-I49 WeakPolarHBondContact O-CA 3.38Å; Y19-I50 PolarHBondContact O-N 2.95Å; Y19-E58 WeakPolarHBondContact CE1-OE2 3.34Å; Y19-E58 PolarHBondContact OH-OE2 3.28Å
20V88.8Confident85.2Confident38 Ų3862.9 Ų62.923%0.2333%0.333CS..EExtended strand (participates in β ladder)trans-106.9130-174.2-174.20000108.9F18 I24 V29F18-V20 HydrophobicContact CD2-CG2 3.84Å; F18-V20 HydrophobicContact CE2-CG2 3.93Å; V20-I24 HydrophobicContact CG1-CB 3.7Å; V20-I24 HydrophobicContact CG1-CG1 3.6Å; V20-I24 HydrophobicContact CG1-CG2 4.27Å; V20-V29 HydrophobicContact CG2-CG2 4.15Å
21V81.8Confident86.1Confident5 Ų558.1 Ų58.13%0.0331%0.308CS..EExtended strand (participates in β ladder)trans-123.3123.3-178.8177.70000110.5Y19 I49 I50 A51 N56 E58 V59Y19-V21 HydrophobicContact CD1-CG2 3.61Å; Y19-V21 HydrophobicContact CE1-CG2 3.51Å; V21-I49 HydrophobicContact CB-CG2 4.35Å; V21-I49 HydrophobicContact CG2-CG2 3.67Å; V21-I50 PolarHBondContact N-O 3.39Å; V21-A51 HydrophobicContact CB-CB 4.08Å; V21-N56 HydrophobicContact CG1-CB 4.24Å; V21-N56 VanDerWaalsContact CG1-CG 3.47Å; V21-N56 WeakPolarHBondContact CG1-ND2 3.48Å; V21-E58 HydrophobicContact CG1-CB 3.99Å; V21-E58 HydrophobicContact CG2-CB 4.14Å; V21-V59 HydrophobicContact CB-CG2 4.37Å; V21-V59 HydrophobicContact CG1-CG2 4.09Å
22G80.8Confident86.5Confident58 Ų5856.8 Ų56.860%0.59830%0.297SS*.SBendtrans86.7-166.1-175.400000113
23D77.9Confident86.5Confident166 Ų16660.3 Ų60.389%0.88831%0.311SS*.SBendtrans-88.3117.2176.2-1696.5000109.2
24I86.3Confident86.3Confident19 Ų1963.1 Ų63.110%0.09734%0.335CS..  trans-137.2130.9-170.2-58-65.8000108.6V20 T26 V28 I50 E52 P73V20-I24 HydrophobicContact CG1-CB 3.7Å; V20-I24 HydrophobicContact CG1-CG1 3.6Å; V20-I24 HydrophobicContact CG1-CG2 4.27Å; I24-T26 PolarHBondContact O-N 3.2Å; I24-V28 HydrophobicContact CG2-CB 4.33Å; I24-V28 HydrophobicContact CG2-CG1 4.39Å; I24-I50 HydrophobicContact CG2-CG2 4.23Å; I24-E52 HydrophobicContact CD1-CB 3.99Å; I24-P73 HydrophobicContact CD1-CG 3.82Å; I24-P73 HydrophobicContact CG2-CG 3.85Å
25E82.7Confident86.4Confident132 Ų13256.8 Ų56.862%0.61731%0.307SS*.  trans-51127.4-174.3-66.7-175.1-172.500113.2K27 V28E25-K27 PolarHBondContact O-N 3.39Å; E25-V28 HydrophobicContact CB-CG2 4.03Å; E25-V28 VanDerWaalsContact O-CB 3.3Å; E25-V28 WeakPolarHBondContact O-CB 3.28Å; E25-V28 PolarHBondContact O-N 3.49Å
26T83.9Confident86.6Confident103 Ų10356.5 Ų56.563%0.63230%0.3SS*.Hα-helixtrans-52-31.9178-44.20000113.1I24 V28 V29 Q30I24-T26 PolarHBondContact O-N 3.2Å; T26-V28 VanDerWaalsContact C-N 3.27Å; T26-V28 PolarHBondContact O-N 3.15Å; T26-V29 PolarHBondContact O-N 3.19Å; T26-Q30 WeakPolarHBondContact O-CG 3.45Å; T26-Q30 PolarHBondContact O-N 3.47Å
27K88Confident86.7Confident104 Ų10456.7 Ų56.745%0.45230%0.303SS..Hα-helixtrans-57.4-36.6175.4-168.4171.7-175.2171.90112.3E3 E25 Q30 L31E3-K27 IonicContact OE1-NZ 3.17Å; E25-K27 PolarHBondContact O-N 3.39Å; K27-Q30 PolarHBondContact O-N 3.43Å; K27-L31 VanDerWaalsContact O-CG 3.27Å; K27-L31 WeakPolarHBondContact O-CG 3.44Å; K27-L31 PolarHBondContact O-N 3.3Å
28V88.2Confident86.6Confident2 Ų256.7 Ų56.71%0.01230%0.303CS..Hα-helixtrans-71.1-43.3179.9178.60000110.6I24 E25 T26 Q30 L31 L32 I50 P73 V76 I77I24-V28 HydrophobicContact CG2-CB 4.33Å; I24-V28 HydrophobicContact CG2-CG1 4.39Å; E25-V28 HydrophobicContact CB-CG2 4.03Å; E25-V28 VanDerWaalsContact O-CB 3.3Å; E25-V28 WeakPolarHBondContact O-CB 3.28Å; E25-V28 PolarHBondContact O-N 3.49Å; T26-V28 VanDerWaalsContact C-N 3.27Å; T26-V28 PolarHBondContact O-N 3.15Å; V28-Q30 VanDerWaalsContact C-N 3.33Å; V28-Q30 PolarHBondContact O-N 3.44Å; V28-L31 PolarHBondContact O-N 3.31Å; V28-L32 PolarHBondContact O-N 3.38Å; V28-I50 HydrophobicContact CG1-CG2 4.43Å; V28-P73 HydrophobicContact CG1-CB 4.11Å; V28-P73 HydrophobicContact CG2-CB 3.92Å; V28-V76 HydrophobicContact CG1-CB 3.93Å; V28-V76 HydrophobicContact CG1-CG1 4.16Å; V28-V76 HydrophobicContact CG1-CG2 3.79Å; V28-I77 HydrophobicContact CG2-CD1 4.17Å; V28-I77 HydrophobicContact CG2-CG1 4.4Å
29V88.4Confident86.4Confident21 Ų2161 Ų6113%0.12732%0.323CS..Hα-helixtrans-65.5-36.9175.3179.30000111.2F18 V20 T26 K33F18-V29 HydrophobicContact CE2-CG1 4.16Å; F18-V29 HydrophobicContact CZ-CG1 4.21Å; V20-V29 HydrophobicContact CG2-CG2 4.15Å; T26-V29 PolarHBondContact O-N 3.19Å; V29-K33 HydrophobicContact CG1-CD 4.03Å; V29-K33 WeakPolarHBondContact O-CG 3.35Å; V29-K33 PolarHBondContact O-N 3.07Å; V29-K33 VanDerWaalsContact O-N 3.09Å
30Q87.4Confident85.7Confident120 Ų12060 Ų6056%0.56132%0.321SS*.Hα-helixtrans-64.4-45.1173-73.5170.1-12.700112.2T26 K27 V28 L32 K33 A34T26-Q30 WeakPolarHBondContact O-CG 3.45Å; T26-Q30 PolarHBondContact O-N 3.47Å; K27-Q30 PolarHBondContact O-N 3.43Å; V28-Q30 VanDerWaalsContact C-N 3.33Å; V28-Q30 PolarHBondContact O-N 3.44Å; Q30-L32 PolarHBondContact O-N 3.35Å; Q30-K33 PolarHBondContact O-N 3.1Å; Q30-A34 VanDerWaalsContact O-CB 3.32Å; Q30-A34 WeakPolarHBondContact O-CB 3.26Å; Q30-A34 PolarHBondContact O-N 3.17Å
31L89.7Confident84.4Confident18 Ų1862.9 Ų62.99%0.09434%0.342CS..Hα-helixtrans-60.2-43.1176.5-73.3169.7000112.2I6 V8 K27 V28 A34 G35 V76 I77 V80I6-L31 HydrophobicContact CB-CD2 4.46Å; I6-L31 HydrophobicContact CG2-CD2 4.47Å; V8-L31 HydrophobicContact CG2-CD2 3.55Å; K27-L31 VanDerWaalsContact O-CG 3.27Å; K27-L31 WeakPolarHBondContact O-CG 3.44Å; K27-L31 PolarHBondContact O-N 3.3Å; V28-L31 PolarHBondContact O-N 3.31Å; L31-A34 PolarHBondContact O-N 3.21Å; L31-G35 PolarHBondContact O-N 3.31Å; L31-G35 VanDerWaalsContact O-N 3.1Å; L31-V76 HydrophobicContact CB-CG1 3.96Å; L31-I77 HydrophobicContact CD1-CG1 4.27Å; L31-V80 HydrophobicContact CB-CG2 4.45Å; L31-V80 HydrophobicContact CD2-CG1 4.46Å
32L89Confident83.3Confident0 Ų065.8 Ų65.80%035%0.353CS..Hα-helixtrans-60.3-48.5174.9-77.8164.3000112F13 F18 V28 Q30 G35 G37 I50 V76F13-L32 HydrophobicContact CD1-CD2 3.91Å; F13-L32 HydrophobicContact CD2-CD2 3.98Å; F13-L32 HydrophobicContact CE1-CD2 4.04Å; F13-L32 HydrophobicContact CE2-CD2 4.09Å; F13-L32 HydrophobicContact CG-CD2 3.89Å; F13-L32 HydrophobicContact CZ-CD2 4.13Å; F18-L32 HydrophobicContact CB-CD1 4.45Å; F18-L32 HydrophobicContact CD1-CB 4.03Å; F18-L32 HydrophobicContact CD1-CD1 4.02Å; F18-L32 HydrophobicContact CD1-CD2 4.35Å; F18-L32 HydrophobicContact CD1-CG 4.37Å; F18-L32 HydrophobicContact CD2-CD1 3.76Å; F18-L32 HydrophobicContact CE1-CB 3.54Å; F18-L32 HydrophobicContact CE1-CD1 4.13Å; F18-L32 HydrophobicContact CE1-CG 4.32Å; F18-L32 HydrophobicContact CE2-CB 4.45Å; F18-L32 HydrophobicContact CE2-CD1 3.88Å; F18-L32 HydrophobicContact CG-CD1 3.83Å; F18-L32 HydrophobicContact CZ-CB 3.77Å; F18-L32 HydrophobicContact CZ-CD1 4.04Å; V28-L32 PolarHBondContact O-N 3.38Å; Q30-L32 PolarHBondContact O-N 3.35Å; L32-G35 PolarHBondContact O-N 3.49Å; L32-G37 WeakPolarHBondContact O-CA 3.46Å; L32-G37 PolarHBondContact O-N 3.3Å; L32-I50 HydrophobicContact CD1-CD1 4.28Å; L32-I50 HydrophobicContact CD1-CG1 3.99Å; L32-V76 HydrophobicContact CD1-CG2 3.92Å; L32-V76 HydrophobicContact CD2-CG1 4.11Å; L32-V76 HydrophobicContact CD2-CG2 3.95Å; L32-V76 HydrophobicContact CG-CG1 3.78Å; L32-V76 HydrophobicContact CG-CG2 3.92Å
33K88.4Confident82.2Confident96 Ų9663.3 Ų63.342%0.41733%0.326SS..Hα-helixtrans-64.8-40179.3-73.1170.1-179.9170.90112.2F18 V29 Q30 G35 K36 E39F18-K33 HydrophobicContact CE1-CG 4.49Å; F18-K33 HydrophobicContact CZ-CG 4.16Å; V29-K33 HydrophobicContact CG1-CD 4.03Å; V29-K33 WeakPolarHBondContact O-CG 3.35Å; V29-K33 PolarHBondContact O-N 3.07Å; V29-K33 VanDerWaalsContact O-N 3.09Å; Q30-K33 PolarHBondContact O-N 3.1Å; K33-G35 VanDerWaalsContact C-N 3.32Å; K33-G35 PolarHBondContact O-N 3.48Å; K33-K36 WeakPolarHBondContact O-CA 3.47Å; K33-K36 PolarHBondContact O-N 2.97Å; K33-E39 WeakPolarHBondContact CE-OE2 3.43Å; K33-E39 IonicContact NZ-OE1 2.7Å; K33-E39 IonicContact NZ-OE2 2.72Å; K33-E39 PolarHBondContact NZ-OE2 3.46Å
34A87.5Confident81.3Confident59 Ų5957.7 Ų57.749%0.48830%0.303SS..Hα-helixtrans-62.4-36.9175.800000112.4V8 Q30 L31 K36V8-A34 HydrophobicContact CB-CB 4.24Å; V8-A34 HydrophobicContact CG2-CB 3.89Å; Q30-A34 VanDerWaalsContact O-CB 3.32Å; Q30-A34 WeakPolarHBondContact O-CB 3.26Å; Q30-A34 PolarHBondContact O-N 3.17Å; L31-A34 PolarHBondContact O-N 3.21Å; A34-K36 PolarHBondContact O-N 3.47Å
35G88.1Confident80Confident0 Ų060 Ų600%032%0.316CS..THydrogen-bonded Turntrans-7712.8172.100000114.9A11 L12 F13 K14 L31 L32 K33 G37A11-G35 CarbonylContact C-O 3.51Å; A11-G35 VanDerWaalsContact C-O 3.3Å; A11-G35 WeakPolarHBondContact CA-O 3.44Å; L12-G35 PolarHBondContact N-O 3.03Å; F13-G35 CarbonylContact C-O 3.3Å; F13-G35 WeakPolarHBondContact CA-O 3.39Å; F13-G35 PolarHBondContact N-O 3.33Å; K14-G35 PolarHBondContact N-O 3.41Å; L31-G35 PolarHBondContact O-N 3.31Å; L31-G35 VanDerWaalsContact O-N 3.1Å; L32-G35 PolarHBondContact O-N 3.49Å; K33-G35 VanDerWaalsContact C-N 3.32Å; K33-G35 PolarHBondContact O-N 3.48Å; G35-G37 VanDerWaalsContact C-N 3.33Å; G35-G37 PolarHBondContact O-N 3.01Å
36K88.3Confident79.9Confident115 Ų11554.2 Ų54.250%0.529%0.29SS..THydrogen-bonded Turntrans6720.2-176.2-59.6172.1171.7156.90115.7D10 A11 K33 A34D10-K36 WeakPolarHBondContact OD1-CE 3.46Å; D10-K36 IonicContact OD1-NZ 2.79Å; D10-K36 PolarHBondContact OD1-NZ 3.37Å; D10-K36 IonicContact OD2-NZ 2.73Å; D10-K36 PolarHBondContact OD2-NZ 3.02Å; A11-K36 HydrophobicContact CB-CD 3.96Å; K33-K36 WeakPolarHBondContact O-CA 3.47Å; K33-K36 PolarHBondContact O-N 2.97Å; A34-K36 PolarHBondContact O-N 3.47Å
37G88.8Confident79.9Confident7 Ų751.7 Ų51.77%0.07227%0.274CS..  trans-68.7138170.300000112.3F13 V16 L32 G35F13-G37 VanDerWaalsContact O-CA 3.24Å; F13-G37 WeakPolarHBondContact O-CA 3.42Å; V16-G37 WeakPolarHBondContact O-CA 3.29Å; L32-G37 WeakPolarHBondContact O-CA 3.46Å; L32-G37 PolarHBondContact O-N 3.3Å; G35-G37 VanDerWaalsContact C-N 3.33Å; G35-G37 PolarHBondContact O-N 3.01Å
38K87.8Confident79.8Confident89 Ų8948.2 Ų48.239%0.38726%0.26SS..EExtended strand (participates in β ladder)trans-97.4112.6-178.5-177.5171.6178.2176.50111.1V16 K17 F18 E873V16-K38 PolarHBondContact O-N 3.38Å; K17-K38 CarbonylContact C-O 3.52Å; K17-K38 VanDerWaalsContact CA-O 3.23Å; K17-K38 WeakPolarHBondContact CA-O 3.41Å; F18-K38 PolarHBondContact N-O 3.47Å; K38-E873 IonicContact NZ-OE1 3.53Å; K38-E873 PolarHBondContact NZ-OE1 2.92Å; K38-E873 IonicContact NZ-OE2 3.2Å; K38-E873 PolarHBondContact NZ-OE2 3.48Å
39E85.8Confident79.9Confident90 Ų9048.1 Ų48.142%0.42126%0.259SS..EExtended strand (participates in β ladder)trans-63.7137.6167.2-169.9171.2-131.800110F18 K33F18-E39 HydrophobicContact CD2-CB 4.49Å; F18-E39 HydrophobicContact CD2-CG 4.42Å; F18-E39 HydrophobicContact CE1-CB 4.03Å; F18-E39 HydrophobicContact CE2-CB 3.84Å; F18-E39 HydrophobicContact CE2-CG 3.83Å; F18-E39 HydrophobicContact CZ-CB 3.6Å; F18-E39 HydrophobicContact CZ-CG 4.1Å; F18-E39 WeakPolarHBondContact O-CA 3.46Å; K33-E39 WeakPolarHBondContact CE-OE2 3.43Å; K33-E39 IonicContact NZ-OE1 2.7Å; K33-E39 IonicContact NZ-OE2 2.72Å; K33-E39 PolarHBondContact NZ-OE2 3.46Å
40V73Confident80.1Confident18 Ų1847.2 Ų47.211%0.10925%0.253CS..  trans-123.6148.6176.5-66.70000111.1K17 F18 Y19 Y42 L45 A46K17-V40 HydrophobicContact CB-CG1 4.11Å; K17-V40 HydrophobicContact CD-CG1 4.48Å; F18-V40 WeakPolarHBondContact O-CG2 3.41Å; F18-V40 PolarHBondContact O-N 3.32Å; Y19-V40 WeakPolarHBondContact CD2-O 3.41Å; V40-Y42 VanDerWaalsContact C-N 3.28Å; V40-Y42 WeakPolarHBondContact CG2-O 3.47Å; V40-Y42 PolarHBondContact O-N 2.95Å; V40-L45 HydrophobicContact CB-CB 4.26Å; V40-L45 HydrophobicContact CG1-CB 4.34Å; V40-L45 HydrophobicContact CG2-CB 4.41Å; V40-A46 HydrophobicContact CG2-CB 3.74Å
41S61.1Low80.1Confident98 Ų9841.5 Ų41.569%0.68523%0.227SC*.SBendtrans-80.9-1.9-177.1-46.20000114.8
42Y58.7Low79.7Confident66 Ų6645.4 Ų45.426%0.25925%0.245SC..SBendtrans-146134.6-175.1-54.5-73.3000110.3V40 A44 L45 A971V40-Y42 VanDerWaalsContact C-N 3.28Å; V40-Y42 WeakPolarHBondContact CG2-O 3.47Å; V40-Y42 PolarHBondContact O-N 2.95Å; Y42-A44 VanDerWaalsContact C-N 3.29Å; Y42-A44 PolarHBondContact O-N 3.01Å; Y42-L45 HydrophobicContact CD2-CD1 3.95Å; Y42-L45 PolarHBondContact O-N 3.44Å; Y42-L45 VanDerWaalsContact O-N 3.12Å; Y42-A971 HydrophobicContact CD1-CB 4.33Å; Y42-A971 HydrophobicContact CE1-CB 3.76Å
43N57.9Low79Confident6 Ų648.2 Ų48.23%0.03226%0.26CS..G310 helixtrans-53.4-4317558.1-9.2000112.8Y19 L45 A46 I49 E61 S62 L68Y19-N43 HydrophobicContact CD1-CB 3.76Å; Y19-N43 HydrophobicContact CE1-CB 4.02Å; Y19-N43 HydrophobicContact CG-CB 4.23Å; N43-L45 PolarHBondContact O-N 2.95Å; N43-A46 WeakPolarHBondContact O-CB 3.49Å; N43-A46 PolarHBondContact O-N 3.27Å; N43-I49 HydrophobicContact CB-CD1 3.92Å; N43-E61 PolarHBondContact ND2-OE2 3.48Å; N43-S62 WeakPolarHBondContact CB-OG 3.26Å; N43-S62 PolarHBondContact ND2-OG 3.49Å; N43-L68 WeakPolarHBondContact O-CD1 3.47Å
44A57.6Low78.2Confident49 Ų4944.2 Ų44.241%0.40525%0.246SC..G310 helixtrans-61.6-5.7178.900000115.8Y42 F66Y42-A44 VanDerWaalsContact C-N 3.29Å; Y42-A44 PolarHBondContact O-N 3.01Å; A44-F66 HydrophobicContact CB-CD1 4.08Å; A44-F66 HydrophobicContact CB-CE1 3.55Å; A44-F66 HydrophobicContact CB-CE2 4.04Å; A44-F66 HydrophobicContact CB-CZ 3.54Å
45L60.7Low77Confident68 Ų6841.9 Ų41.936%0.35623%0.225SC..G310 helixtrans-113.2-2.8174.3-58.8-178.8000113.1K17 V40 Y42 N43 E873K17-L45 WeakPolarHBondContact CD-O 3.46Å; V40-L45 HydrophobicContact CB-CB 4.26Å; V40-L45 HydrophobicContact CG1-CB 4.34Å; V40-L45 HydrophobicContact CG2-CB 4.41Å; Y42-L45 HydrophobicContact CD2-CD1 3.95Å; Y42-L45 PolarHBondContact O-N 3.44Å; Y42-L45 VanDerWaalsContact O-N 3.12Å; N43-L45 PolarHBondContact O-N 2.95Å; L45-E873 WeakPolarHBondContact CD1-O 3.42Å
46A78.8Confident76.2Confident10 Ų1043.6 Ų43.68%0.08323%0.234CC..  trans-81.4162.3177.700000111.1V40 N43 I49 L68V40-A46 HydrophobicContact CG2-CB 3.74Å; N43-A46 WeakPolarHBondContact O-CB 3.49Å; N43-A46 PolarHBondContact O-N 3.27Å; A46-I49 HydrophobicContact CB-CD1 4.09Å; A46-L68 WeakPolarHBondContact O-CD2 3.42Å
47T83.9Confident74.9Confident49 Ų4941.5 Ų41.530%0.30123%0.233SC..SBendtrans-104.9-20163.658.30000111.4K17 P69K17-T47 HydrophobicContact CB-CG2 4.23Å; K17-T47 HydrophobicContact CG-CG2 4.49Å; K17-T47 PolarHBondContact N-OG1 2.95Å; K17-T47 PolarHBondContact O-N 3.39Å; K17-T47 PolarHBondContact O-OG1 3.48Å; T47-P69 VanDerWaalsContact O-CD 3.23Å; T47-P69 WeakPolarHBondContact O-CD 3.47Å; T47-P69 WeakPolarHBondContact O-CG 3.47Å
48H87.8Confident73.8Confident32 Ų3244 Ų4415%0.14824%0.243CC..EExtended strand (participates in β ladder)trans-143.9141.9-177.9-66.875.1000109.9V16 K17 F18 Y19 W75V16-H48 HydrophobicContact CG1-CB 4.21Å; K17-H48 PolarHBondContact O-N 3.39Å; K17-H48 VanDerWaalsContact O-N 3.09Å; F18-H48 WeakPolarHBondContact CA-O 3.3Å; Y19-H48 PolarHBondContact N-O 2.99Å; H48-W75 AromaticContact CD2-CH2 3.84Å; H48-W75 AromaticContact NE2-CH2 3.94Å; H48-W75 AromaticContact NE2-CZ2 3.99Å
49I89.4Confident73.2Confident0 Ų040.2 Ų40.20%023%0.227CC..EExtended strand (participates in β ladder)trans-107129171.9-49.4-61000108.7Y19 V21 N43 A46 L68 P69 V70 V71Y19-I49 HydrophobicContact CD1-CD1 4.2Å; Y19-I49 WeakPolarHBondContact O-CA 3.38Å; V21-I49 HydrophobicContact CB-CG2 4.35Å; V21-I49 HydrophobicContact CG2-CG2 3.67Å; N43-I49 HydrophobicContact CB-CD1 3.92Å; A46-I49 HydrophobicContact CB-CD1 4.09Å; I49-L68 HydrophobicContact CD1-CD1 4Å; I49-L68 HydrophobicContact CG1-CB 4.19Å; I49-L68 HydrophobicContact CG1-CD1 4.46Å; I49-P69 PolarHBondContact N-O 3.39Å; I49-V70 HydrophobicContact CB-CB 4.31Å; I49-V70 HydrophobicContact CB-CG1 4.05Å; I49-V70 HydrophobicContact CB-CG2 4.07Å; I49-V70 HydrophobicContact CG1-CG2 4.22Å; I49-V70 HydrophobicContact CG2-CG1 4.13Å; I49-V70 WeakPolarHBondContact O-CA 3.48Å; I49-V71 PolarHBondContact O-N 3Å
50I91.7Very high72Confident1 Ų137.8 Ų37.81%0.00522%0.22CC..EExtended strand (participates in β ladder)trans-100.8115176.2-45.2-58.1000108.6F18 Y19 V21 I24 V28 L32 V71 P73 W75 V76F18-I50 HydrophobicContact CB-CG1 4.21Å; F18-I50 HydrophobicContact CD2-CG1 4.45Å; Y19-I50 PolarHBondContact O-N 2.95Å; V21-I50 PolarHBondContact N-O 3.39Å; I24-I50 HydrophobicContact CG2-CG2 4.23Å; V28-I50 HydrophobicContact CG1-CG2 4.43Å; L32-I50 HydrophobicContact CD1-CD1 4.28Å; L32-I50 HydrophobicContact CD1-CG1 3.99Å; I50-V71 WeakPolarHBondContact CA-O 3.46Å; I50-V71 HydrophobicContact CD1-CG2 3.64Å; I50-P73 HydrophobicContact CG2-CG 4.33Å; I50-W75 HydrophobicContact CD1-CE3 4.46Å; I50-V76 HydrophobicContact CD1-CG2 4.22Å
51A88Confident71.4Confident1 Ų138 Ų381%0.00822%0.22CC..EExtended strand (participates in β ladder)trans-151.4142.4-177.400000111.1V21 V59 V70 V71 K72 P93V21-A51 HydrophobicContact CB-CB 4.08Å; A51-V59 HydrophobicContact CB-CG2 3.5Å; A51-V70 HydrophobicContact CB-CG1 4.1Å; A51-V71 PolarHBondContact N-O 3.38Å; A51-K72 WeakPolarHBondContact O-CA 3.42Å; A51-P93 HydrophobicContact CB-CG 4.4Å; A51-P93 WeakPolarHBondContact O-CB 3.43Å
52E81.9Confident71.7Confident99 Ų9933.3 Ų33.346%0.46319%0.187SC..SBendtrans-91.3-33.2173.3-166.265.6-114.300112.1I24 K72 P73 P93I24-E52 HydrophobicContact CD1-CB 3.99Å; E52-K72 WeakPolarHBondContact OE1-CD 3.41Å; E52-K72 IonicContact OE1-NZ 2.9Å; E52-P73 VanDerWaalsContact OE2-CD 3.27Å; E52-P73 WeakPolarHBondContact OE2-CD 3.39Å; E52-P93 WeakPolarHBondContact O-CB 3.46Å
53D74.4Confident71.8Confident59 Ų5933.8 Ų33.832%0.31619%0.188SC..  trans-99.7110.6177.9178.722.5000111.9D55 N56 M733D53-D55 PolarHBondContact O-N 3.44Å; D53-D55 WeakPolarHBondContact OD1-CB 3.44Å; D53-D55 PolarHBondContact OD1-N 3.48Å; D53-N56 WeakPolarHBondContact O-CB 3.44Å; D53-M733 HydrophobicContact CB-CE 3.89Å; D53-M733 WeakPolarHBondContact OD2-CE 3.38Å
54G70.7Confident71.6Confident13 Ų1338.5 Ų38.513%0.13421%0.21CC..THydrogen-bonded Turntrans-73.4-10.5175.600000114.4N56 P93G54-N56 VanDerWaalsContact C-N 3.32Å; G54-P93 WeakPolarHBondContact CA-O 3.25Å; G54-P93 PolarHBondContact N-O 3.06Å; G54-P93 VanDerWaalsContact N-O 3.15Å
55D63.7Low71.1Confident9 Ų939.7 Ų39.75%0.04821%0.212CC..THydrogen-bonded Turntrans-91.77.3-179.2-127.1-28.7000113.1D53 T693 R700 K734D53-D55 PolarHBondContact O-N 3.44Å; D53-D55 WeakPolarHBondContact OD1-CB 3.44Å; D53-D55 PolarHBondContact OD1-N 3.48Å; D55-T693 WeakPolarHBondContact OD2-CA 3.32Å; D55-T693 VanDerWaalsContact OD2-CB 3.29Å; D55-T693 WeakPolarHBondContact OD2-CB 3.25Å; D55-T693 PolarHBondContact OD2-OG1 2.98Å; D55-R700 IonicContact OD1-CZ 3.18Å; D55-R700 IonicContact OD1-NH1 3.99Å; D55-R700 PolarHBondContact OD1-NH1 2.84Å; D55-R700 IonicContact OD1-NH2 2.68Å; D55-R700 PolarHBondContact OD1-NH2 3.36Å; D55-R700 IonicContact OD2-NH2 2.75Å; D55-K734 WeakPolarHBondContact O-CE 3.48Å; D55-K734 PolarHBondContact O-NZ 3.02Å; D55-K734 IonicContact OD1-NZ 2.77Å; D55-K734 PolarHBondContact OD1-NZ 2.82Å; D55-K734 IonicContact OD2-NZ 3.35Å
56N70.4Confident70.6Confident36 Ų3639.7 Ų39.719%0.19321%0.209CC..  trans-75.5134.7178.3-174.2-52.3000112.3V21 D53 G54 E58 V59 S60V21-N56 HydrophobicContact CG1-CB 4.24Å; V21-N56 VanDerWaalsContact CG1-CG 3.47Å; V21-N56 WeakPolarHBondContact CG1-ND2 3.48Å; D53-N56 WeakPolarHBondContact O-CB 3.44Å; G54-N56 VanDerWaalsContact C-N 3.32Å; N56-E58 VanDerWaalsContact C-N 3.34Å; N56-E58 PolarHBondContact O-N 3.21Å; N56-E58 PolarHBondContact OD1-N 3.25Å; N56-V59 HydrophobicContact CB-CB 4.29Å; N56-V59 HydrophobicContact CB-CG2 4.2Å; N56-V59 WeakPolarHBondContact O-CB 3.49Å; N56-V59 PolarHBondContact O-N 2.92Å; N56-V59 VanDerWaalsContact O-N 3.1Å; N56-S60 PolarHBondContact O-N 3.03Å; N56-S60 PolarHBondContact O-OG 3.35Å
57P61.4Low69.8Low71 Ų7146.1 Ų46.146%0.46124%0.242SC..Hα-helixtrans-54.4-39.2178.4-28.436.4000115.6V59 S60 E61P57-V59 VanDerWaalsContact C-N 3.32Å; P57-V59 PolarHBondContact O-N 2.93Å; P57-S60 WeakPolarHBondContact CA-OG 3.37Å; P57-S60 PolarHBondContact O-N 3.33Å; P57-S60 PolarHBondContact O-OG 2.78Å; P57-E61 PolarHBondContact O-N 3.41Å
58E66.2Low69.4Low61 Ų6145 Ų4529%0.28523%0.234SC..Hα-helixtrans-70.8-28.5179.5-70.3-176-122.900112.2Y19 V21 N56 S62Y19-E58 WeakPolarHBondContact CE1-OE2 3.34Å; Y19-E58 PolarHBondContact OH-OE2 3.28Å; V21-E58 HydrophobicContact CG1-CB 3.99Å; V21-E58 HydrophobicContact CG2-CB 4.14Å; N56-E58 VanDerWaalsContact C-N 3.34Å; N56-E58 PolarHBondContact O-N 3.21Å; N56-E58 PolarHBondContact OD1-N 3.25Å; E58-S62 WeakPolarHBondContact O-CB 3.08Å; E58-S62 PolarHBondContact O-N 3.4Å; E58-S62 PolarHBondContact O-OG 3.43Å
59V74.6Confident69Low8 Ų845.6 Ų45.65%0.04824%0.241CC..Hα-helixtrans-65.9-48.2170.6160.50000110.2V21 A51 N56 P57 S62 R63 V70V21-V59 HydrophobicContact CB-CG2 4.37Å; V21-V59 HydrophobicContact CG1-CG2 4.09Å; A51-V59 HydrophobicContact CB-CG2 3.5Å; N56-V59 HydrophobicContact CB-CB 4.29Å; N56-V59 HydrophobicContact CB-CG2 4.2Å; N56-V59 WeakPolarHBondContact O-CB 3.49Å; N56-V59 PolarHBondContact O-N 2.92Å; N56-V59 VanDerWaalsContact O-N 3.1Å; P57-V59 VanDerWaalsContact C-N 3.32Å; P57-V59 PolarHBondContact O-N 2.93Å; V59-S62 PolarHBondContact O-N 2.93Å; V59-R63 PolarHBondContact O-N 3.21Å; V59-V70 HydrophobicContact CB-CG1 4.41Å; V59-V70 HydrophobicContact CG1-CB 4.42Å; V59-V70 HydrophobicContact CG1-CG1 3.84Å; V59-V70 HydrophobicContact CG1-CG2 4.19Å; V59-V70 HydrophobicContact CG2-CG1 3.86Å
60S60.3Low68.8Low39 Ų3945.9 Ų45.927%0.27324%0.243SC..Hα-helixtrans-62.7-42176.745.30000113N56 P57 S62 R63 E64N56-S60 PolarHBondContact O-N 3.03Å; N56-S60 PolarHBondContact O-OG 3.35Å; P57-S60 WeakPolarHBondContact CA-OG 3.37Å; P57-S60 PolarHBondContact O-N 3.33Å; P57-S60 PolarHBondContact O-OG 2.78Å; S60-S62 PolarHBondContact O-N 3.31Å; S60-R63 PolarHBondContact O-N 3.28Å; S60-E64 VanDerWaalsContact O-CB 3.3Å; S60-E64 WeakPolarHBondContact O-CB 3.05Å; S60-E64 WeakPolarHBondContact O-CG 3.32Å; S60-E64 PolarHBondContact O-N 3.49Å
61E60.2Low68.6Low23 Ų2345.9 Ų45.911%0.10724%0.243CC..Hα-helixtrans-60.9-46.5175.5-176.1-172.4-154.700111.5N43 P57 R63 E64 V65 F66 S965 S967 T968N43-E61 PolarHBondContact ND2-OE2 3.48Å; P57-E61 PolarHBondContact O-N 3.41Å; E61-R63 PolarHBondContact O-N 2.97Å; E61-R63 VanDerWaalsContact O-N 3.15Å; E61-E64 PolarHBondContact O-N 3.41Å; E61-V65 HydrophobicContact CG-CB 4.2Å; E61-V65 HydrophobicContact CG-CG2 3.75Å; E61-V65 VanDerWaalsContact O-CB 3.27Å; E61-V65 WeakPolarHBondContact O-CB 3.13Å; E61-V65 PolarHBondContact O-N 2.95Å; E61-F66 HydrophobicContact CG-CE2 4.35Å; E61-S965 VanDerWaalsContact OE1-CB 3.28Å; E61-S965 WeakPolarHBondContact OE1-CB 3.47Å; E61-S965 PolarHBondContact OE1-OG 3.38Å; E61-S965 VanDerWaalsContact OE2-CB 3.24Å; E61-S965 WeakPolarHBondContact OE2-CB 3.09Å; E61-S965 PolarHBondContact OE2-OG 3.47Å; E61-S967 PolarHBondContact OE2-OG 3.46Å; E61-T968 PolarHBondContact OE1-OG1 3.39Å
62S66.5Low68.6Low0 Ų047.7 Ų47.70%025%0.25CS..Hα-helixtrans-60.7-29.6-175.7-56.70000112.6N43 E58 V59 S60 D67 L68N43-S62 WeakPolarHBondContact CB-OG 3.26Å; N43-S62 PolarHBondContact ND2-OG 3.49Å; E58-S62 WeakPolarHBondContact O-CB 3.08Å; E58-S62 PolarHBondContact O-N 3.4Å; E58-S62 PolarHBondContact O-OG 3.43Å; V59-S62 PolarHBondContact O-N 2.93Å; S60-S62 PolarHBondContact O-N 3.31Å; S62-D67 PolarHBondContact O-N 3.12Å; S62-L68 WeakPolarHBondContact O-CB 3.4Å; S62-L68 PolarHBondContact O-N 3.33Å; S62-L68 VanDerWaalsContact O-N 3.11Å
63R62.3Low68.9Low75 Ų7543.5 Ų43.528%0.28323%0.232SC..Hα-helixtrans-85.9-54.9175.2-170.5177175.9134.4-29.1112.3V59 S60 E61 V65 D67 E94 D697V59-R63 PolarHBondContact O-N 3.21Å; S60-R63 PolarHBondContact O-N 3.28Å; E61-R63 PolarHBondContact O-N 2.97Å; E61-R63 VanDerWaalsContact O-N 3.15Å; R63-V65 VanDerWaalsContact C-N 3.33Å; R63-V65 PolarHBondContact O-N 3.39Å; R63-D67 WeakPolarHBondContact O-CA 3.26Å; R63-D67 PolarHBondContact O-N 2.95Å; R63-D67 VanDerWaalsContact O-N 3.08Å; R63-E94 IonicContact CZ-OE1 3.09Å; R63-E94 IonicContact CZ-OE2 2.64Å; R63-E94 IonicContact NH1-OE1 3.31Å; R63-E94 PolarHBondContact NH1-OE1 3.46Å; R63-E94 IonicContact NH2-OE1 2.73Å; R63-E94 PolarHBondContact NH2-OE1 2.96Å; R63-E94 IonicContact NH2-OE2 3.53Å; R63-E94 PolarHBondContact NH2-OE2 3.28Å; R63-D697 IonicContact CZ-OD2 2.61Å; R63-D697 IonicContact NE-OD1 2.64Å; R63-D697 IonicContact NE-OD2 3.67Å; R63-D697 PolarHBondContact NE-OD2 2.97Å; R63-D697 IonicContact NH2-OD2 3.42Å; R63-D697 PolarHBondContact NH2-OD2 3.37Å
64E52.2Low69.3Low106 Ų10642.8 Ų42.850%0.49523%0.232SC..Hα-helixtrans-64.2-31.1-176.7-70-176.2-164.200113.6S60 E61 K704S60-E64 VanDerWaalsContact O-CB 3.3Å; S60-E64 WeakPolarHBondContact O-CB 3.05Å; S60-E64 WeakPolarHBondContact O-CG 3.32Å; S60-E64 PolarHBondContact O-N 3.49Å; E61-E64 PolarHBondContact O-N 3.41Å; E64-K704 IonicContact OE1-NZ 3.53Å; E64-K704 PolarHBondContact OE1-NZ 3.36Å; E64-K704 IonicContact OE2-NZ 2.66Å
65V48.8Very low70.2Confident74 Ų7442.3 Ų42.345%0.44823%0.226SC..THydrogen-bonded Turntrans-103-35.3-173.4-176.20000113.1E61 R63E61-V65 HydrophobicContact CG-CB 4.2Å; E61-V65 HydrophobicContact CG-CG2 3.75Å; E61-V65 VanDerWaalsContact O-CB 3.27Å; E61-V65 WeakPolarHBondContact O-CB 3.13Å; E61-V65 PolarHBondContact O-N 2.95Å; R63-V65 VanDerWaalsContact C-N 3.33Å; R63-V65 PolarHBondContact O-N 3.39Å
66F50.4Low71.4Confident67 Ų6741.9 Ų41.929%0.29422%0.224SC..THydrogen-bonded Turntrans-120.9-1.7-170.4-55-74.1000114.6A44 E61 L68A44-F66 HydrophobicContact CB-CD1 4.08Å; A44-F66 HydrophobicContact CB-CE1 3.55Å; A44-F66 HydrophobicContact CB-CE2 4.04Å; A44-F66 HydrophobicContact CB-CZ 3.54Å; E61-F66 HydrophobicContact CG-CE2 4.35Å; F66-L68 HydrophobicContact CB-CD1 3.81Å; F66-L68 HydrophobicContact CB-CG 3.73Å; F66-L68 PolarHBondContact O-N 3.06Å
67D61.4Low72.2Confident146 Ų14642.2 Ų42.278%0.78123%0.225SC*.  trans54.935-179.6-156.523.7000113.4S62 R63S62-D67 PolarHBondContact O-N 3.12Å; R63-D67 WeakPolarHBondContact O-CA 3.26Å; R63-D67 PolarHBondContact O-N 2.95Å; R63-D67 VanDerWaalsContact O-N 3.08Å
68L75Confident73.1Confident25 Ų2541.6 Ų41.613%0.13122%0.217CC..  trans-86.4136.7-175.4-62.5173.7000112.1N43 A46 I49 S62 F66 V70N43-L68 WeakPolarHBondContact O-CD1 3.47Å; A46-L68 WeakPolarHBondContact O-CD2 3.42Å; I49-L68 HydrophobicContact CD1-CD1 4Å; I49-L68 HydrophobicContact CG1-CB 4.19Å; I49-L68 HydrophobicContact CG1-CD1 4.46Å; S62-L68 WeakPolarHBondContact O-CB 3.4Å; S62-L68 PolarHBondContact O-N 3.33Å; S62-L68 VanDerWaalsContact O-N 3.11Å; F66-L68 HydrophobicContact CB-CD1 3.81Å; F66-L68 HydrophobicContact CB-CG 3.73Å; F66-L68 PolarHBondContact O-N 3.06Å; L68-V70 PolarHBondContact O-N 3.37Å
69P78.8Confident74.1Confident44 Ų4438.7 Ų38.729%0.28620%0.204SC..  trans-66.7129.8172.328.4-34.2000110.7T47 I49 V88T47-P69 VanDerWaalsContact O-CD 3.23Å; T47-P69 WeakPolarHBondContact O-CD 3.47Å; T47-P69 WeakPolarHBondContact O-CG 3.47Å; I49-P69 PolarHBondContact N-O 3.39Å; P69-V88 HydrophobicContact CB-CB 4.08Å; P69-V88 HydrophobicContact CB-CG1 4.26Å; P69-V88 HydrophobicContact CB-CG2 3.82Å
70V85.8Confident74.6Confident7 Ų738.6 Ų38.64%0.04220%0.203CC..EExtended strand (participates in β ladder)trans-109.6127177-169.80000108.1I49 A51 V59 L68 P93I49-V70 HydrophobicContact CB-CB 4.31Å; I49-V70 HydrophobicContact CB-CG1 4.05Å; I49-V70 HydrophobicContact CB-CG2 4.07Å; I49-V70 HydrophobicContact CG1-CG2 4.22Å; I49-V70 HydrophobicContact CG2-CG1 4.13Å; I49-V70 WeakPolarHBondContact O-CA 3.48Å; A51-V70 HydrophobicContact CB-CG1 4.1Å; V59-V70 HydrophobicContact CB-CG1 4.41Å; V59-V70 HydrophobicContact CG1-CB 4.42Å; V59-V70 HydrophobicContact CG1-CG1 3.84Å; V59-V70 HydrophobicContact CG1-CG2 4.19Å; V59-V70 HydrophobicContact CG2-CG1 3.86Å; L68-V70 PolarHBondContact O-N 3.37Å; V70-P93 HydrophobicContact CB-CG 4.46Å; V70-P93 HydrophobicContact CG1-CG 3.62Å; V70-P93 WeakPolarHBondContact O-CD 3.19Å
71V88.6Confident75.6Confident0 Ų044 Ų440%022%0.217CC..EExtended strand (participates in β ladder)trans-134.4146.8-174.2-64.60000112.5I49 I50 A51 W75 V88 F91I49-V71 PolarHBondContact O-N 3Å; I50-V71 WeakPolarHBondContact CA-O 3.46Å; I50-V71 HydrophobicContact CD1-CG2 3.64Å; A51-V71 PolarHBondContact N-O 3.38Å; V71-W75 HydrophobicContact CB-CB 3.86Å; V71-W75 HydrophobicContact CB-CD2 4.37Å; V71-W75 HydrophobicContact CB-CG 4.03Å; V71-W75 HydrophobicContact CG1-CB 4.44Å; V71-W75 HydrophobicContact CG1-CD2 4.44Å; V71-W75 HydrophobicContact CG1-CG 4.17Å; V71-W75 HydrophobicContact CG2-CB 4.05Å; V71-W75 HydrophobicContact CG2-CD2 3.92Å; V71-W75 HydrophobicContact CG2-CE3 3.74Å; V71-W75 HydrophobicContact CG2-CG 4.07Å; V71-W75 HydrophobicContact CG2-CZ3 4.49Å; V71-V88 HydrophobicContact CG1-CB 3.61Å; V71-V88 HydrophobicContact CG1-CG1 3.89Å; V71-F91 CarbonylContact C-O 3.54Å; V71-F91 WeakPolarHBondContact CA-O 3.47Å; V71-F91 HydrophobicContact CB-CB 4.26Å; V71-F91 HydrophobicContact CG1-CB 4.3Å
72K87.6Confident76.5Confident39 Ų3946.9 Ų46.917%0.1724%0.239CC..  trans-66.1152.9170.9-72-174.6176.8-159.90111.9A51 E52 S74 W75 F91 P93A51-K72 WeakPolarHBondContact O-CA 3.42Å; E52-K72 WeakPolarHBondContact OE1-CD 3.41Å; E52-K72 IonicContact OE1-NZ 2.9Å; K72-S74 WeakPolarHBondContact CB-OG 3.48Å; K72-S74 PolarHBondContact O-N 3.35Å; K72-W75 VanDerWaalsContact O-CB 3.25Å; K72-W75 WeakPolarHBondContact O-CB 3.39Å; K72-W75 PolarHBondContact O-N 2.97Å; K72-F91 WeakPolarHBondContact CG-O 3.38Å; K72-F91 PolarHBondContact N-O 3.45Å; K72-P93 HydrophobicContact CG-CB 3.93Å
73P88.1Confident77.2Confident11 Ų1148.8 Ų48.87%0.07126%0.259CS..Hα-helixtrans-47.5-31.5168.5-31.437.8000115.1I24 V28 I50 E52 W75 V76 I77I24-P73 HydrophobicContact CD1-CG 3.82Å; I24-P73 HydrophobicContact CG2-CG 3.85Å; V28-P73 HydrophobicContact CG1-CB 4.11Å; V28-P73 HydrophobicContact CG2-CB 3.92Å; I50-P73 HydrophobicContact CG2-CG 4.33Å; E52-P73 VanDerWaalsContact OE2-CD 3.27Å; E52-P73 WeakPolarHBondContact OE2-CD 3.39Å; P73-W75 PolarHBondContact O-N 3.35Å; P73-V76 WeakPolarHBondContact O-CB 3.33Å; P73-V76 PolarHBondContact O-N 3.15Å; P73-V76 VanDerWaalsContact O-N 3.16Å; P73-I77 PolarHBondContact O-N 3.46Å
74S83Confident78.2Confident45 Ų4550.6 Ų50.632%0.31527%0.274SS..Hα-helixtrans-60.8-26.6175.754.70000113.8K72 V76 I77 L78K72-S74 WeakPolarHBondContact CB-OG 3.48Å; K72-S74 PolarHBondContact O-N 3.35Å; S74-V76 VanDerWaalsContact C-N 3.35Å; S74-V76 PolarHBondContact O-N 3.43Å; S74-I77 PolarHBondContact O-N 3.06Å; S74-L78 WeakPolarHBondContact O-CB 3.15Å; S74-L78 WeakPolarHBondContact O-CG 3.1Å; S74-L78 PolarHBondContact O-N 3.33Å
75W89.1Confident79.7Confident3 Ų348.9 Ų48.91%0.01127%0.268CS..Hα-helixtrans-60-45173.217874.9000111.7F13 V16 H48 I50 V71 K72 P73 S79 L85 L86 V88 F91F13-W75 HydrophobicContact CD1-CH2 4.36Å; F13-W75 HydrophobicContact CD1-CZ3 4.42Å; F13-W75 HydrophobicContact CE1-CH2 4.07Å; F13-W75 AromaticContact CE1-CZ3 3.96Å; F13-W75 HydrophobicContact CE1-CZ3 3.96Å; V16-W75 HydrophobicContact CG2-CH2 4.2Å; H48-W75 AromaticContact CD2-CH2 3.84Å; H48-W75 AromaticContact NE2-CH2 3.94Å; H48-W75 AromaticContact NE2-CZ2 3.99Å; I50-W75 HydrophobicContact CD1-CE3 4.46Å; V71-W75 HydrophobicContact CB-CB 3.86Å; V71-W75 HydrophobicContact CB-CD2 4.37Å; V71-W75 HydrophobicContact CB-CG 4.03Å; V71-W75 HydrophobicContact CG1-CB 4.44Å; V71-W75 HydrophobicContact CG1-CD2 4.44Å; V71-W75 HydrophobicContact CG1-CG 4.17Å; V71-W75 HydrophobicContact CG2-CB 4.05Å; V71-W75 HydrophobicContact CG2-CD2 3.92Å; V71-W75 HydrophobicContact CG2-CE3 3.74Å; V71-W75 HydrophobicContact CG2-CG 4.07Å; V71-W75 HydrophobicContact CG2-CZ3 4.49Å; K72-W75 VanDerWaalsContact O-CB 3.25Å; K72-W75 WeakPolarHBondContact O-CB 3.39Å; K72-W75 PolarHBondContact O-N 2.97Å; P73-W75 PolarHBondContact O-N 3.35Å; W75-S79 WeakPolarHBondContact O-CB 3.41Å; W75-S79 PolarHBondContact O-N 3.07Å; W75-S79 PolarHBondContact O-OG 3.22Å; W75-L85 HydrophobicContact CH2-CD2 4.19Å; W75-L85 HydrophobicContact CZ2-CD2 4.24Å; W75-L86 PolarHBondContact NE1-O 3.03Å; W75-V88 HydrophobicContact CZ2-CG1 4.13Å; W75-F91 VanDerWaalsContact CA-CD1 3.43Å; W75-F91 HydrophobicContact CB-CB 3.78Å; W75-F91 HydrophobicContact CB-CD1 3.79Å; W75-F91 HydrophobicContact CB-CD2 4.32Å; W75-F91 HydrophobicContact CB-CE1 4.43Å; W75-F91 HydrophobicContact CB-CG 3.71Å; W75-F91 AromaticContact CD1-CD2 3.61Å; W75-F91 AromaticContact CD1-CG 3.87Å; W75-F91 HydrophobicContact CG-CB 4.33Å; W75-F91 HydrophobicContact CG-CD2 4.38Å; W75-F91 HydrophobicContact CG-CG 4.21Å
76V88.8Confident81.3Confident0 Ų047.4 Ų47.40%026%0.258CS..Hα-helixtrans-63.3-53.3177.3-1780000109.5F13 V28 L31 L32 I50 P73 S74 L78 S79 V80F13-V76 HydrophobicContact CE2-CG1 4.04Å; F13-V76 HydrophobicContact CZ-CG1 3.84Å; V28-V76 HydrophobicContact CG1-CB 3.93Å; V28-V76 HydrophobicContact CG1-CG1 4.16Å; V28-V76 HydrophobicContact CG1-CG2 3.79Å; L31-V76 HydrophobicContact CB-CG1 3.96Å; L32-V76 HydrophobicContact CD1-CG2 3.92Å; L32-V76 HydrophobicContact CD2-CG1 4.11Å; L32-V76 HydrophobicContact CD2-CG2 3.95Å; L32-V76 HydrophobicContact CG-CG1 3.78Å; L32-V76 HydrophobicContact CG-CG2 3.92Å; I50-V76 HydrophobicContact CD1-CG2 4.22Å; P73-V76 WeakPolarHBondContact O-CB 3.33Å; P73-V76 PolarHBondContact O-N 3.15Å; P73-V76 VanDerWaalsContact O-N 3.16Å; S74-V76 VanDerWaalsContact C-N 3.35Å; S74-V76 PolarHBondContact O-N 3.43Å; V76-L78 VanDerWaalsContact C-N 3.31Å; V76-L78 PolarHBondContact O-N 2.97Å; V76-S79 PolarHBondContact O-N 3.44Å; V76-V80 VanDerWaalsContact O-CG2 3.32Å; V76-V80 WeakPolarHBondContact O-CG2 3.46Å; V76-V80 PolarHBondContact O-N 3.27Å
77I86.2Confident82.6Confident42 Ų4248 Ų4822%0.21527%0.268CS..Hα-helixtrans-61.8-39.8-174.3-61168.1000111.2I6 V28 L31 P73 S74 R81I6-I77 HydrophobicContact CD1-CG2 4.41Å; V28-I77 HydrophobicContact CG2-CD1 4.17Å; V28-I77 HydrophobicContact CG2-CG1 4.4Å; L31-I77 HydrophobicContact CD1-CG1 4.27Å; P73-I77 PolarHBondContact O-N 3.46Å; S74-I77 PolarHBondContact O-N 3.06Å; I77-R81 WeakPolarHBondContact O-CG 3.18Å; I77-R81 PolarHBondContact O-N 3.38Å
78L80.9Confident83.6Confident58 Ų5843 Ų4330%0.30424%0.243SC..Hα-helixtrans-78.7-36.9177.9-63.4-165.1000112.8S74 V76 V80 R81 C82 L86 F91S74-L78 WeakPolarHBondContact O-CB 3.15Å; S74-L78 WeakPolarHBondContact O-CG 3.1Å; S74-L78 PolarHBondContact O-N 3.33Å; V76-L78 VanDerWaalsContact C-N 3.31Å; V76-L78 PolarHBondContact O-N 2.97Å; L78-V80 VanDerWaalsContact C-N 3.33Å; L78-V80 PolarHBondContact O-N 2.92Å; L78-R81 PolarHBondContact O-N 3.27Å; L78-R81 VanDerWaalsContact O-N 3.13Å; L78-C82 WeakPolarHBondContact O-CB 3.21Å; L78-C82 PolarHBondContact O-N 3.04Å; L78-C82 PolarHBondContact O-SG 3.49Å; L78-C82 VanDerWaalsContact O-SG 3.4Å; L78-L86 HydrophobicContact CB-CD1 3.54Å; L78-F91 HydrophobicContact CB-CE1 4.33Å; L78-F91 HydrophobicContact CB-CZ 4.26Å; L78-F91 HydrophobicContact CD1-CE1 3.94Å; L78-F91 HydrophobicContact CD1-CZ 4.06Å; L78-F91 HydrophobicContact CG-CE1 4.38Å
79S86.7Confident83.4Confident0 Ų046.2 Ų46.20%026%0.264CS..Hα-helixtrans-60.4-43174.8-60.30000111.6W75 V76 R81 C82 G83 D84 L86W75-S79 WeakPolarHBondContact O-CB 3.41Å; W75-S79 PolarHBondContact O-N 3.07Å; W75-S79 PolarHBondContact O-OG 3.22Å; V76-S79 PolarHBondContact O-N 3.44Å; S79-R81 VanDerWaalsContact C-N 3.34Å; S79-R81 PolarHBondContact O-N 2.99Å; S79-C82 PolarHBondContact O-N 3.31Å; S79-G83 PolarHBondContact O-N 3.04Å; S79-D84 CarbonylContact C-O 3.6Å; S79-D84 VanDerWaalsContact CA-O 3.25Å; S79-D84 WeakPolarHBondContact CA-O 2.97Å; S79-D84 VanDerWaalsContact CB-O 3.27Å; S79-D84 WeakPolarHBondContact CB-O 3.35Å; S79-D84 PolarHBondContact O-N 3.44Å; S79-D84 VanDerWaalsContact O-O 3.09Å; S79-L86 PolarHBondContact OG-N 2.97Å; S79-L86 VanDerWaalsContact OG-N 3.15Å
80V86.7Confident82.9Confident7 Ų744.2 Ų44.24%0.04225%0.251CS..Hα-helixtrans-61.6-41.8174.1-178.70000111.8I6 V8 L12 F13 L31 V76 L78 G83I6-V80 HydrophobicContact CG2-CB 4.19Å; I6-V80 HydrophobicContact CG2-CG1 3.41Å; I6-V80 VanDerWaalsContact CG2-CG1 3.41Å; V8-V80 HydrophobicContact CB-CG1 4.23Å; V8-V80 HydrophobicContact CG1-CG1 4.18Å; V8-V80 HydrophobicContact CG1-CG2 4.27Å; V8-V80 HydrophobicContact CG2-CG1 3.98Å; L12-V80 HydrophobicContact CD2-CB 4.41Å; L12-V80 HydrophobicContact CD2-CG2 4.03Å; F13-V80 HydrophobicContact CE2-CG2 3.51Å; F13-V80 HydrophobicContact CZ-CG2 3.77Å; L31-V80 HydrophobicContact CB-CG2 4.45Å; L31-V80 HydrophobicContact CD2-CG1 4.46Å; V76-V80 VanDerWaalsContact O-CG2 3.32Å; V76-V80 WeakPolarHBondContact O-CG2 3.46Å; V76-V80 PolarHBondContact O-N 3.27Å; L78-V80 VanDerWaalsContact C-N 3.33Å; L78-V80 PolarHBondContact O-N 2.92Å; V80-G83 PolarHBondContact O-N 3.46Å
81R79.6Confident82.5Confident151 Ų15144.9 Ų44.957%0.5725%0.254SS*.Hα-helixtrans-69.4-31.4178.4-76.9174171.4169.9-0.4113.8I6 I77 L78 S79 G83I6-R81 HydrophobicContact CG2-CG 4.33Å; I77-R81 WeakPolarHBondContact O-CG 3.18Å; I77-R81 PolarHBondContact O-N 3.38Å; L78-R81 PolarHBondContact O-N 3.27Å; L78-R81 VanDerWaalsContact O-N 3.13Å; S79-R81 VanDerWaalsContact C-N 3.34Å; S79-R81 PolarHBondContact O-N 2.99Å; R81-G83 VanDerWaalsContact C-N 3.35Å
82C80.1Confident82Confident84 Ų8445.4 Ų45.457%0.56826%0.257SS*.Hα-helixtrans-79.8-19.1174.6-70.30000112.7L78 S79 D84 L86L78-C82 WeakPolarHBondContact O-CB 3.21Å; L78-C82 PolarHBondContact O-N 3.04Å; L78-C82 PolarHBondContact O-SG 3.49Å; L78-C82 VanDerWaalsContact O-SG 3.4Å; S79-C82 PolarHBondContact O-N 3.31Å; C82-D84 VanDerWaalsContact C-N 3.27Å; C82-L86 HydrophobicContact CB-CD2 4.15Å
83G81.6Confident81.1Confident40 Ų4043.8 Ų43.841%0.41225%0.251SS..THydrogen-bonded Turntrans78.96.6-176.300000114.5S79 V80 R81S79-G83 PolarHBondContact O-N 3.04Å; V80-G83 PolarHBondContact O-N 3.46Å; R81-G83 VanDerWaalsContact C-N 3.35Å
84D83.4Confident80.1Confident113 Ų11345.1 Ų45.160%0.60426%0.256SS*.SBendtrans-148.9158.8-172.9-166.612.1000110.7S79 C82 L86S79-D84 CarbonylContact C-O 3.6Å; S79-D84 VanDerWaalsContact CA-O 3.25Å; S79-D84 WeakPolarHBondContact CA-O 2.97Å; S79-D84 VanDerWaalsContact CB-O 3.27Å; S79-D84 WeakPolarHBondContact CB-O 3.35Å; S79-D84 PolarHBondContact O-N 3.44Å; S79-D84 VanDerWaalsContact O-O 3.09Å; C82-D84 VanDerWaalsContact C-N 3.27Å; D84-L86 PolarHBondContact O-N 3.26Å
85L84.3Confident78.8Confident70 Ų7044 Ų4437%0.36625%0.248SC..  trans-77.7109.8-177.1-66.4178.2000111.2L12 F13 V16 W75L12-L85 HydrophobicContact CD1-CD2 4.16Å; L12-L85 HydrophobicContact CD1-CG 4.21Å; L12-L85 HydrophobicContact CG-CD2 4.24Å; F13-L85 HydrophobicContact CD1-CD2 3.47Å; F13-L85 VanDerWaalsContact CD1-CD2 3.47Å; F13-L85 HydrophobicContact CE1-CD2 3.53Å; V16-L85 HydrophobicContact CG2-CD1 4.45Å; W75-L85 HydrophobicContact CH2-CD2 4.19Å; W75-L85 HydrophobicContact CZ2-CD2 4.24Å
86L81.6Confident77.3Confident43 Ų4344.3 Ų44.323%0.22525%0.253CS..  trans-71.8155.4-178-64.9176.1000112.6W75 L78 S79 C82 D84 V88 F91W75-L86 PolarHBondContact NE1-O 3.03Å; L78-L86 HydrophobicContact CB-CD1 3.54Å; S79-L86 PolarHBondContact OG-N 2.97Å; S79-L86 VanDerWaalsContact OG-N 3.15Å; C82-L86 HydrophobicContact CB-CD2 4.15Å; D84-L86 PolarHBondContact O-N 3.26Å; L86-V88 PolarHBondContact O-N 3.3Å; L86-V88 VanDerWaalsContact O-N 3.16Å; L86-F91 HydrophobicContact CB-CE2 3.93Å; L86-F91 HydrophobicContact CB-CZ 4.43Å; L86-F91 HydrophobicContact CD1-CE2 4.08Å; L86-F91 HydrophobicContact CD1-CZ 3.75Å
87P78Confident76.5Confident80 Ų8045.9 Ų45.952%0.51926%0.26SS..  trans-61.8117.8176.6-23.634.5000112.4T89 G90 F91 F122P87-T89 PolarHBondContact O-N 3Å; P87-T89 VanDerWaalsContact O-N 3.09Å; P87-G90 PolarHBondContact O-N 3.45Å; P87-G90 VanDerWaalsContact O-N 3.13Å; P87-F91 WeakPolarHBondContact O-CD2 3.47Å; P87-F122 HydrophobicContact CB-CE2 4.37Å
88V81.3Confident76.2Confident41 Ų4145.1 Ų45.125%0.24826%0.256CS..G310 helixtrans-54.4-30.6-177.6-63.40000114.1P69 V71 W75 L86 G90 F91P69-V88 HydrophobicContact CB-CB 4.08Å; P69-V88 HydrophobicContact CB-CG1 4.26Å; P69-V88 HydrophobicContact CB-CG2 3.82Å; V71-V88 HydrophobicContact CG1-CB 3.61Å; V71-V88 HydrophobicContact CG1-CG1 3.89Å; W75-V88 HydrophobicContact CZ2-CG1 4.13Å; L86-V88 PolarHBondContact O-N 3.3Å; L86-V88 VanDerWaalsContact O-N 3.16Å; V88-G90 PolarHBondContact O-N 3.41Å; V88-F91 PolarHBondContact O-N 2.94Å
89T71.2Confident76.2Confident92 Ų9242.4 Ų42.456%0.56424%0.242SC*.G310 helixtrans-59.3-30.8-180450000113.6P87 F91 F122P87-T89 PolarHBondContact O-N 3Å; P87-T89 VanDerWaalsContact O-N 3.09Å; T89-F91 PolarHBondContact O-N 3.4Å; T89-F122 WeakPolarHBondContact OG1-CE2 3.28Å; T89-F122 WeakPolarHBondContact OG1-CZ 3.11Å
90G67.7Low75.8Confident3 Ų345 Ų453%0.03125%0.253CS..G310 helixtrans-72.4-8.1178.200000114.6P87 V88 F122P87-G90 PolarHBondContact O-N 3.45Å; P87-G90 VanDerWaalsContact O-N 3.13Å; V88-G90 PolarHBondContact O-N 3.41Å; G90-F122 VanDerWaalsContact CA-CD2 3.47Å; G90-F122 WeakPolarHBondContact CA-O 3.46Å
91F79.4Confident75.1Confident21 Ų2147.3 Ų47.39%0.09228%0.279CS..G310 helixtrans-130.218.2-164.8-65.8-94.3000113.7V71 K72 W75 L78 L86 P87 V88 T89V71-F91 CarbonylContact C-O 3.54Å; V71-F91 WeakPolarHBondContact CA-O 3.47Å; V71-F91 HydrophobicContact CB-CB 4.26Å; V71-F91 HydrophobicContact CG1-CB 4.3Å; K72-F91 WeakPolarHBondContact CG-O 3.38Å; K72-F91 PolarHBondContact N-O 3.45Å; W75-F91 VanDerWaalsContact CA-CD1 3.43Å; W75-F91 HydrophobicContact CB-CB 3.78Å; W75-F91 HydrophobicContact CB-CD1 3.79Å; W75-F91 HydrophobicContact CB-CD2 4.32Å; W75-F91 HydrophobicContact CB-CE1 4.43Å; W75-F91 HydrophobicContact CB-CG 3.71Å; W75-F91 AromaticContact CD1-CD2 3.61Å; W75-F91 AromaticContact CD1-CG 3.87Å; W75-F91 HydrophobicContact CG-CB 4.33Å; W75-F91 HydrophobicContact CG-CD2 4.38Å; W75-F91 HydrophobicContact CG-CG 4.21Å; L78-F91 HydrophobicContact CB-CE1 4.33Å; L78-F91 HydrophobicContact CB-CZ 4.26Å; L78-F91 HydrophobicContact CD1-CE1 3.94Å; L78-F91 HydrophobicContact CD1-CZ 4.06Å; L78-F91 HydrophobicContact CG-CE1 4.38Å; L86-F91 HydrophobicContact CB-CE2 3.93Å; L86-F91 HydrophobicContact CB-CZ 4.43Å; L86-F91 HydrophobicContact CD1-CE2 4.08Å; L86-F91 HydrophobicContact CD1-CZ 3.75Å; P87-F91 WeakPolarHBondContact O-CD2 3.47Å; V88-F91 PolarHBondContact O-N 2.94Å; T89-F91 PolarHBondContact O-N 3.4Å
92S76.9Confident75.3Confident10 Ų1040.3 Ų40.37%0.0725%0.253CS..  trans-58.5140.6176.8-1790000111.9E94 Q97S92-E94 WeakPolarHBondContact CB-OE1 3.19Å; S92-E94 PolarHBondContact O-N 3.32Å; S92-E94 WeakPolarHBondContact OG-CB 3.46Å; S92-E94 VanDerWaalsContact OG-CD 3.28Å; S92-E94 VanDerWaalsContact OG-CG 3.25Å; S92-E94 WeakPolarHBondContact OG-CG 3.39Å; S92-E94 PolarHBondContact OG-N 2.95Å; S92-E94 PolarHBondContact OG-OE1 3.45Å; S92-Q97 PolarHBondContact O-OE1 2.95Å
93P69.9Low75.6Confident6 Ų637 Ų374%0.03923%0.23CC..  trans-78.36.5171.833.7-35.9000114.3A51 E52 G54 V70 K72A51-P93 HydrophobicContact CB-CG 4.4Å; A51-P93 WeakPolarHBondContact O-CB 3.43Å; E52-P93 WeakPolarHBondContact O-CB 3.46Å; G54-P93 WeakPolarHBondContact CA-O 3.25Å; G54-P93 PolarHBondContact N-O 3.06Å; G54-P93 VanDerWaalsContact N-O 3.15Å; V70-P93 HydrophobicContact CB-CG 4.46Å; V70-P93 HydrophobicContact CG1-CG 3.62Å; V70-P93 WeakPolarHBondContact O-CD 3.19Å; K72-P93 HydrophobicContact CG-CB 3.93Å
94E66.8Low75.9Confident39 Ų3935.1 Ų35.118%0.18221%0.21CC..  trans-64.5130177.7-74.4164-99.800113.8R63 S92 G96R63-E94 IonicContact CZ-OE1 3.09Å; R63-E94 IonicContact CZ-OE2 2.64Å; R63-E94 IonicContact NH1-OE1 3.31Å; R63-E94 PolarHBondContact NH1-OE1 3.46Å; R63-E94 IonicContact NH2-OE1 2.73Å; R63-E94 PolarHBondContact NH2-OE1 2.96Å; R63-E94 IonicContact NH2-OE2 3.53Å; R63-E94 PolarHBondContact NH2-OE2 3.28Å; S92-E94 WeakPolarHBondContact CB-OE1 3.19Å; S92-E94 PolarHBondContact O-N 3.32Å; S92-E94 WeakPolarHBondContact OG-CB 3.46Å; S92-E94 VanDerWaalsContact OG-CD 3.28Å; S92-E94 VanDerWaalsContact OG-CG 3.25Å; S92-E94 WeakPolarHBondContact OG-CG 3.39Å; S92-E94 PolarHBondContact OG-N 2.95Å; S92-E94 PolarHBondContact OG-OE1 3.45Å; E94-G96 PolarHBondContact O-N 3.4Å
95S55.9Low76Confident20 Ų2029.7 Ų29.714%0.1418%0.182CC..THydrogen-bonded Turntrans-68.613.1166.341.70000114.7G694S95-G694 WeakPolarHBondContact OG-CA 3.36Å
96G57.3Low76Confident11 Ų1126.4 Ų26.411%0.11316%0.164CC..THydrogen-bonded Turntrans-98.2-13.5-17900000115.7E94E94-G96 PolarHBondContact O-N 3.4Å
97Q71.7Confident75.7Confident33 Ų3325.4 Ų25.415%0.15416%0.161CC..SBendtrans-66151.6-174-59.9-177.4-62.800112.7S92 F99 F100 Y123S92-Q97 PolarHBondContact O-OE1 2.95Å; Q97-F99 VanDerWaalsContact C-N 3.31Å; Q97-F99 PolarHBondContact O-N 3.07Å; Q97-F100 HydrophobicContact CB-CB 4.5Å; Q97-F100 VanDerWaalsContact O-CB 3.29Å; Q97-F100 WeakPolarHBondContact O-CB 3.36Å; Q97-F100 PolarHBondContact O-N 3.34Å; Q97-Y123 WeakPolarHBondContact CB-O 3.29Å
98I78.6Confident75.1Confident26 Ų2633.1 Ų33.113%0.13318%0.179CC..THydrogen-bonded Turntrans-57.1-41.3-168.2-51.7176.4000112.6Y123 R174I98-Y123 HydrophobicContact CD1-CD1 3.51Å; I98-Y123 HydrophobicContact CD1-CE1 3.92Å; I98-Y123 HydrophobicContact CD1-CG 3.95Å; I98-Y123 HydrophobicContact CG1-CD1 3.97Å; I98-Y123 HydrophobicContact CG1-CG 4.42Å; I98-Y123 PolarHBondContact N-O 3.04Å; I98-R174 HydrophobicContact CG2-CB 4.09Å; I98-R174 WeakPolarHBondContact O-CD 3.31Å
99F82.4Confident74.1Confident0 Ų032.6 Ų32.60%018%0.175CC..THydrogen-bonded Turntrans-106.223.6179.6-55.3-62.2000112.4Q97 G101 V102 L120 Y123 G124 G125 W164 I165 V169 R174Q97-F99 VanDerWaalsContact C-N 3.31Å; Q97-F99 PolarHBondContact O-N 3.07Å; F99-G101 PolarHBondContact O-N 3.46Å; F99-V102 HydrophobicContact CB-CB 4.02Å; F99-V102 HydrophobicContact CB-CG2 4.12Å; F99-V102 WeakPolarHBondContact O-CB 3.36Å; F99-V102 WeakPolarHBondContact O-CG2 3.46Å; F99-V102 PolarHBondContact O-N 3.29Å; F99-L120 HydrophobicContact CB-CG 4.22Å; F99-L120 HydrophobicContact CD1-CD1 4.44Å; F99-L120 HydrophobicContact CD2-CB 4.29Å; F99-L120 HydrophobicContact CD2-CG 3.98Å; F99-L120 HydrophobicContact CG-CD1 4.36Å; F99-L120 HydrophobicContact CG-CG 4.04Å; F99-Y123 PolarHBondContact N-O 3.05Å; F99-G124 CarbonylContact O-C 3.51Å; F99-G125 VanDerWaalsContact O-CA 3.23Å; F99-G125 WeakPolarHBondContact O-CA 3.45Å; F99-G125 PolarHBondContact O-N 3.29Å; F99-W164 AromaticContact CD1-CH2 3.81Å; F99-W164 HydrophobicContact CD1-CH2 3.81Å; F99-W164 AromaticContact CD1-CZ3 3.97Å; F99-W164 HydrophobicContact CD1-CZ3 3.97Å; F99-W164 HydrophobicContact CE1-CE3 4.24Å; F99-W164 AromaticContact CE1-CH2 3.91Å; F99-W164 HydrophobicContact CE1-CH2 3.91Å; F99-W164 HydrophobicContact CE1-CZ2 4.44Å; F99-W164 AromaticContact CE1-CZ3 3.78Å; F99-W164 HydrophobicContact CE1-CZ3 3.78Å; F99-I165 HydrophobicContact CE2-CG2 4.05Å; F99-I165 HydrophobicContact CZ-CB 4.35Å; F99-I165 HydrophobicContact CZ-CG2 3.84Å; F99-V169 HydrophobicContact CE2-CG2 3.73Å; F99-V169 HydrophobicContact CZ-CG2 4.05Å; F99-R174 HydrophobicContact CD1-CG 4.35Å; F99-R174 HydrophobicContact CE1-CG 4.45Å
100F77Confident73.3Confident54 Ų5433.7 Ų33.724%0.23718%0.184CC..THydrogen-bonded Turntrans-55.1135.2173.3-173.3-100.8000110.8Q97 V102 E729Q97-F100 HydrophobicContact CB-CB 4.5Å; Q97-F100 VanDerWaalsContact O-CB 3.29Å; Q97-F100 WeakPolarHBondContact O-CB 3.36Å; Q97-F100 PolarHBondContact O-N 3.34Å; F100-V102 PolarHBondContact O-N 3.06Å; F100-E729 WeakPolarHBondContact CD1-OE1 3.38Å; F100-E729 WeakPolarHBondContact CE1-OE1 3.39Å
101G73Confident72.9Confident57 Ų5740.3 Ų40.359%0.58822%0.218SC*.THydrogen-bonded Turntrans74.1-2.2-173.900000115.9F99 T103F99-G101 PolarHBondContact O-N 3.46Å; G101-T103 PolarHBondContact O-N 2.98Å
102V83.5Confident72.1Confident3 Ų344.5 Ų44.52%0.01824%0.242CC..  trans-89.699179.9178.30000110.8F99 F100 A104 L120 G125 E126 H137 W164F99-V102 HydrophobicContact CB-CB 4.02Å; F99-V102 HydrophobicContact CB-CG2 4.12Å; F99-V102 WeakPolarHBondContact O-CB 3.36Å; F99-V102 WeakPolarHBondContact O-CG2 3.46Å; F99-V102 PolarHBondContact O-N 3.29Å; F100-V102 PolarHBondContact O-N 3.06Å; V102-A104 HydrophobicContact CG1-CB 4.16Å; V102-L120 HydrophobicContact CG1-CD1 4.16Å; V102-L120 HydrophobicContact CG1-CD2 4.49Å; V102-G125 CarbonylContact O-C 3.53Å; V102-G125 VanDerWaalsContact O-CA 3.26Å; V102-G125 WeakPolarHBondContact O-CA 3.25Å; V102-E126 PolarHBondContact O-N 3.46Å; V102-H137 HydrophobicContact CG1-CB 4.34Å; V102-W164 HydrophobicContact CG1-CH2 4.06Å; V102-W164 HydrophobicContact CG1-CZ3 4.37Å; V102-W164 HydrophobicContact CG2-CH2 4.25Å
103T85.8Confident71.8Confident15 Ų1545.2 Ų45.29%0.09225%0.245CC..EExtended strand (participates in β ladder)trans-85.4104.6158.9-56.60000109.6G101 E126 Q128 K134 V135 T136 H137G101-T103 PolarHBondContact O-N 2.98Å; T103-E126 CarbonylContact C-O 3.59Å; T103-E126 WeakPolarHBondContact CA-O 3.49Å; T103-E126 HydrophobicContact CG2-CB 4.18Å; T103-E126 PolarHBondContact OG1-OE2 3.15Å; T103-Q128 HydrophobicContact CG2-CG 3.96Å; T103-Q128 VanDerWaalsContact CG2-NE2 3.26Å; T103-K134 WeakPolarHBondContact CB-O 3.4Å; T103-V135 HydrophobicContact CG2-CG2 4.35Å; T103-T136 PolarHBondContact N-OG1 3.29Å; T103-T136 VanDerWaalsContact N-OG1 3.14Å; T103-T136 PolarHBondContact O-N 3.44Å; T103-T136 PolarHBondContact O-OG1 3.33Å; T103-H137 PolarHBondContact O-N 2.92Å
104A88.2Confident72.1Confident0 Ų051.2 Ų51.20%028%0.276CS..EExtended strand (participates in β ladder)trans-98.5137.3-179.900000112.7V102 L120 E126 C127 Q128 H137 V139V102-A104 HydrophobicContact CG1-CB 4.16Å; A104-L120 HydrophobicContact CB-CD1 3.68Å; A104-L120 HydrophobicContact CB-CD2 3.94Å; A104-L120 HydrophobicContact CB-CG 4.49Å; A104-E126 PolarHBondContact N-O 2.91Å; A104-C127 WeakPolarHBondContact O-CA 3.49Å; A104-Q128 PolarHBondContact O-N 3.09Å; A104-H137 CarbonylContact C-O 3.54Å; A104-H137 WeakPolarHBondContact CA-O 3.46Å; A104-H137 HydrophobicContact CB-CB 4.23Å; A104-V139 HydrophobicContact CB-CG2 4.21Å
105C86.8Confident72.7Confident0 Ų051.3 Ų51.30%028%0.284CS..EExtended strand (participates in β ladder)trans-94.1120.6168.8-179.80000110.5Q128 L131 V135 H137 L138 V139C105-Q128 VanDerWaalsContact CA-O 3.26Å; C105-Q128 WeakPolarHBondContact CA-O 3.46Å; C105-L131 HydrophobicContact CB-CD2 3.74Å; C105-V135 HydrophobicContact CB-CG1 3.71Å; C105-V135 HydrophobicContact CB-CG2 4.27Å; C105-H137 PolarHBondContact N-O 3.35Å; C105-L138 HydrophobicContact CB-CD1 4.07Å; C105-V139 PolarHBondContact O-N 3.13Å
106L82.9Confident73.8Confident0 Ų050.8 Ų50.80%028%0.279CS..  trans-105.7106172.1-73.8157.5000108.4L109 L113 L116 W117 C127 Q128 V139L106-L109 HydrophobicContact CD2-CD1 4.4Å; L106-L113 HydrophobicContact CB-CD1 4.26Å; L106-L116 HydrophobicContact CD2-CB 4.32Å; L106-W117 HydrophobicContact CD1-CB 3.99Å; L106-W117 HydrophobicContact CD1-CD2 4.44Å; L106-W117 HydrophobicContact CD1-CE3 4.14Å; L106-W117 HydrophobicContact CD1-CG 4.42Å; L106-C127 HydrophobicContact CD1-CB 4.2Å; L106-Q128 PolarHBondContact N-O 3.37Å; L106-Q128 VanDerWaalsContact N-O 3.12Å; L106-V139 HydrophobicContact CD2-CB 3.8Å; L106-V139 HydrophobicContact CD2-CG1 3.91Å; L106-V139 HydrophobicContact CD2-CG2 4.27Å
107P75.6Confident75Confident23 Ų2354.2 Ų54.215%0.14929%0.289CS..  trans-62.3164.7163.3-14.330.9000110.1L109 L113 L138 V139 V140 K147P107-L109 VanDerWaalsContact C-N 3.34Å; P107-L109 PolarHBondContact O-N 2.97Å; P107-L113 WeakPolarHBondContact O-CD1 3.12Å; P107-L138 HydrophobicContact CG-CD1 3.89Å; P107-V139 WeakPolarHBondContact CD-O 3.48Å; P107-V140 HydrophobicContact CG-CG1 3.83Å; P107-K147 HydrophobicContact CB-CD 4.13Å; P107-K147 HydrophobicContact CG-CD 3.96Å
108R65Low75.2Confident241 Ų24155.4 Ų55.491%0.90931%0.305SS*.  trans-60.395.8171.7-97.8-171.2175.6-175-1.2110.3
109L60.3Low75.3Confident30 Ų3058.2 Ų58.216%0.15732%0.316CS..  trans-81.6139.9160.3-62.3171.8000107.2L106 P107 L113 L116 K141 P162L106-L109 HydrophobicContact CD2-CD1 4.4Å; P107-L109 VanDerWaalsContact C-N 3.34Å; P107-L109 PolarHBondContact O-N 2.97Å; L109-L113 HydrophobicContact CB-CB 4.48Å; L109-L116 HydrophobicContact CD1-CD1 3.82Å; L109-K141 HydrophobicContact CD2-CB 4.3Å; L109-P162 HydrophobicContact CD1-CG 4.09Å
110P55.7Low75.3Confident116 Ų11658.2 Ų58.275%0.75332%0.316SS*.SBendtrans-63.5-48-169.719-29.3000113.8
111D57.8Low75.3Confident142 Ų14257.2 Ų57.276%0.75932%0.315SS*.SBendtrans-112-45.2-163-47.9-71.3000114.5
112D64.1Low75.5Confident108 Ų10858.1 Ų58.158%0.57830%0.303SS*.SBendtrans-97.93.9-168.4-80.8-56.6000116.4N114 A115 L116D112-N114 VanDerWaalsContact C-N 3.29Å; D112-N114 PolarHBondContact O-N 2.95Å; D112-N114 VanDerWaalsContact O-N 3.15Å; D112-A115 PolarHBondContact O-N 3.48Å; D112-L116 HydrophobicContact CB-CD1 4.08Å; D112-L116 HydrophobicContact CB-CG 4.32Å; D112-L116 PolarHBondContact O-N 3.47Å
113L70.4Confident75.1Confident26 Ų2661.1 Ų61.114%0.13631%0.314CS..Hα-helixtrans-56.3-40.5-168.1-174.8135.8000113.7L106 P107 L109 W117L106-L113 HydrophobicContact CB-CD1 4.26Å; P107-L113 WeakPolarHBondContact O-CD1 3.12Å; L109-L113 HydrophobicContact CB-CB 4.48Å; L113-W117 HydrophobicContact CD2-CE3 3.87Å; L113-W117 HydrophobicContact CD2-CZ3 4.35Å; L113-W117 WeakPolarHBondContact O-CB 3.16Å; L113-W117 PolarHBondContact O-N 2.96Å
114N75.1Confident74.6Confident131 Ų13161 Ų6170%0.70132%0.316SS*.Hα-helixtrans-69.6-35.4-179.7-67.3-17.7000112.3D112 A118D112-N114 VanDerWaalsContact C-N 3.29Å; D112-N114 PolarHBondContact O-N 2.95Å; D112-N114 VanDerWaalsContact O-N 3.15Å; N114-A118 VanDerWaalsContact O-CB 3.26Å; N114-A118 WeakPolarHBondContact O-CB 3.49Å; N114-A118 PolarHBondContact O-N 2.9Å
115A78.8Confident74.2Confident42 Ų4261.4 Ų61.435%0.34732%0.32SS..Hα-helixtrans-70.2-46.9178.200000111.1D112 W117 A118 F119D112-A115 PolarHBondContact O-N 3.48Å; A115-W117 VanDerWaalsContact C-N 3.32Å; A115-W117 PolarHBondContact O-N 3.28Å; A115-A118 PolarHBondContact O-N 3Å; A115-F119 WeakPolarHBondContact O-CD2 3.45Å; A115-F119 PolarHBondContact O-N 2.93Å
116L79.9Confident73.9Confident8 Ų866 Ų664%0.04234%0.342CS..Hα-helixtrans-62-40.3175.9-64.2167.2000111.8L106 L109 D112 L120 P162 I165 T166L106-L116 HydrophobicContact CD2-CB 4.32Å; L109-L116 HydrophobicContact CD1-CD1 3.82Å; D112-L116 HydrophobicContact CB-CD1 4.08Å; D112-L116 HydrophobicContact CB-CG 4.32Å; D112-L116 PolarHBondContact O-N 3.47Å; L116-L120 WeakPolarHBondContact O-CB 3.49Å; L116-L120 PolarHBondContact O-N 3.36Å; L116-P162 HydrophobicContact CD1-CB 3.79Å; L116-P162 HydrophobicContact CD1-CG 4.23Å; L116-P162 HydrophobicContact CD2-CB 4.02Å; L116-I165 HydrophobicContact CB-CD1 4.25Å; L116-I165 HydrophobicContact CD2-CB 4.29Å; L116-I165 HydrophobicContact CD2-CD1 4.29Å; L116-T166 HydrophobicContact CD2-CG2 4.06Å
117W81.8Confident73.9Confident83 Ų8366.9 Ų66.931%0.31435%0.347SS..Hα-helixtrans-63.2-46.7174.8-169.9-52.2000111.6L106 L113 A115 L120 T121 C127 L129L106-W117 HydrophobicContact CD1-CB 3.99Å; L106-W117 HydrophobicContact CD1-CD2 4.44Å; L106-W117 HydrophobicContact CD1-CE3 4.14Å; L106-W117 HydrophobicContact CD1-CG 4.42Å; L113-W117 HydrophobicContact CD2-CE3 3.87Å; L113-W117 HydrophobicContact CD2-CZ3 4.35Å; L113-W117 WeakPolarHBondContact O-CB 3.16Å; L113-W117 PolarHBondContact O-N 2.96Å; A115-W117 VanDerWaalsContact C-N 3.32Å; A115-W117 PolarHBondContact O-N 3.28Å; W117-L120 PolarHBondContact O-N 3.26Å; W117-T121 VanDerWaalsContact CD1-OG1 3.31Å; W117-T121 WeakPolarHBondContact O-CB 3.36Å; W117-T121 PolarHBondContact O-N 3.43Å; W117-T121 PolarHBondContact O-OG1 3.08Å; W117-C127 HydrophobicContact CD2-CB 3.42Å; W117-C127 VanDerWaalsContact CD2-CB 3.42Å; W117-C127 HydrophobicContact CE3-CB 4.04Å; W117-C127 HydrophobicContact CG-CB 3.65Å; W117-C127 HydrophobicContact CH2-CB 4.38Å; W117-C127 HydrophobicContact CZ2-CB 3.81Å; W117-C127 HydrophobicContact CZ3-CB 4.48Å; W117-L129 HydrophobicContact CH2-CD2 4.48Å; W117-L129 HydrophobicContact CH2-CG 4.01Å; W117-L129 HydrophobicContact CZ3-CD2 3.81Å; W117-L129 HydrophobicContact CZ3-CG 3.84Å
118A76.4Confident74.2Confident59 Ų5968 Ų6849%0.48835%0.351SS..Hα-helixtrans-61.9-46.2177.900000111.5N114 A115 T121 F122N114-A118 VanDerWaalsContact O-CB 3.26Å; N114-A118 WeakPolarHBondContact O-CB 3.49Å; N114-A118 PolarHBondContact O-N 2.9Å; A115-A118 PolarHBondContact O-N 3Å; A118-T121 PolarHBondContact O-N 3.02Å; A118-F122 WeakPolarHBondContact O-CB 3.37Å; A118-F122 PolarHBondContact O-N 3.4Å
119F81.5Confident74.9Confident84 Ų8460 Ų6037%0.36833%0.326SS..Hα-helixtrans-58.1-51.4175-77.6-53000112.1A115 T121 F122 Y123 I165 V169A115-F119 WeakPolarHBondContact O-CD2 3.45Å; A115-F119 PolarHBondContact O-N 2.93Å; F119-T121 VanDerWaalsContact C-N 3.33Å; F119-T121 PolarHBondContact O-N 3.02Å; F119-F122 PolarHBondContact O-N 3.04Å; F119-Y123 HydrophobicContact CD1-CE2 4.41Å; F119-Y123 WeakPolarHBondContact O-CD2 3.23Å; F119-Y123 PolarHBondContact O-N 3.12Å; F119-Y123 VanDerWaalsContact O-N 3.07Å; F119-I165 HydrophobicContact CB-CG2 3.92Å; F119-V169 HydrophobicContact CB-CG2 4.25Å; F119-V169 HydrophobicContact CD1-CG1 4.01Å; F119-V169 HydrophobicContact CD1-CG2 4.31Å; F119-V169 HydrophobicContact CE1-CG1 4.18Å; F119-V169 HydrophobicContact CG-CG2 4.49Å
120L82.2Confident75.8Confident0 Ų063.9 Ų63.90%035%0.346CS..Hα-helixtrans-67.5-35.7-175.8-167.1138.5000112.1F99 V102 A104 L116 W117 G124 G125 E126 W164 I165F99-L120 HydrophobicContact CB-CG 4.22Å; F99-L120 HydrophobicContact CD1-CD1 4.44Å; F99-L120 HydrophobicContact CD2-CB 4.29Å; F99-L120 HydrophobicContact CD2-CG 3.98Å; F99-L120 HydrophobicContact CG-CD1 4.36Å; F99-L120 HydrophobicContact CG-CG 4.04Å; V102-L120 HydrophobicContact CG1-CD1 4.16Å; V102-L120 HydrophobicContact CG1-CD2 4.49Å; A104-L120 HydrophobicContact CB-CD1 3.68Å; A104-L120 HydrophobicContact CB-CD2 3.94Å; A104-L120 HydrophobicContact CB-CG 4.49Å; L116-L120 WeakPolarHBondContact O-CB 3.49Å; L116-L120 PolarHBondContact O-N 3.36Å; W117-L120 PolarHBondContact O-N 3.26Å; L120-G124 PolarHBondContact O-N 3.04Å; L120-G125 WeakPolarHBondContact O-CA 3.49Å; L120-G125 PolarHBondContact O-N 3.38Å; L120-E126 WeakPolarHBondContact CD2-O 3.41Å; L120-W164 HydrophobicContact CD1-CZ3 4.18Å; L120-I165 HydrophobicContact CB-CD1 4.5Å; L120-I165 HydrophobicContact CB-CG2 4.42Å; L120-I165 HydrophobicContact CD1-CD1 3.88Å; L120-I165 HydrophobicContact CD1-CG1 4.15Å
121T77.4Confident77Confident34 Ų3460.3 Ų60.321%0.20932%0.321CS..Hα-helixtrans-70-48.3175.9-50.90000111.9W117 A118 F119 Y123 G124 G125W117-T121 VanDerWaalsContact CD1-OG1 3.31Å; W117-T121 WeakPolarHBondContact O-CB 3.36Å; W117-T121 PolarHBondContact O-N 3.43Å; W117-T121 PolarHBondContact O-OG1 3.08Å; A118-T121 PolarHBondContact O-N 3.02Å; F119-T121 VanDerWaalsContact C-N 3.33Å; F119-T121 PolarHBondContact O-N 3.02Å; T121-Y123 PolarHBondContact O-N 2.96Å; T121-G124 PolarHBondContact O-N 3.32Å; T121-G125 WeakPolarHBondContact CA-O 3.33Å
122F76Confident78.1Confident76 Ų7656.9 Ų56.933%0.33330%0.302SS..Hα-helixtrans-62.6-30.6-179.3-177.4-85.1000112.6P87 T89 G90 A118 F119P87-F122 HydrophobicContact CB-CE2 4.37Å; T89-F122 WeakPolarHBondContact OG1-CE2 3.28Å; T89-F122 WeakPolarHBondContact OG1-CZ 3.11Å; G90-F122 VanDerWaalsContact CA-CD2 3.47Å; G90-F122 WeakPolarHBondContact CA-O 3.46Å; A118-F122 WeakPolarHBondContact O-CB 3.37Å; A118-F122 PolarHBondContact O-N 3.4Å; F119-F122 PolarHBondContact O-N 3.04Å
123Y76Confident78.8Confident65 Ų6562.2 Ų62.226%0.25532%0.321SS..THydrogen-bonded Turntrans-9826.8174.4-68.2-77000113.5Q97 I98 F99 F119 T121 V169Q97-Y123 WeakPolarHBondContact CB-O 3.29Å; I98-Y123 HydrophobicContact CD1-CD1 3.51Å; I98-Y123 HydrophobicContact CD1-CE1 3.92Å; I98-Y123 HydrophobicContact CD1-CG 3.95Å; I98-Y123 HydrophobicContact CG1-CD1 3.97Å; I98-Y123 HydrophobicContact CG1-CG 4.42Å; I98-Y123 PolarHBondContact N-O 3.04Å; F99-Y123 PolarHBondContact N-O 3.05Å; F119-Y123 HydrophobicContact CD1-CE2 4.41Å; F119-Y123 WeakPolarHBondContact O-CD2 3.23Å; F119-Y123 PolarHBondContact O-N 3.12Å; F119-Y123 VanDerWaalsContact O-N 3.07Å; T121-Y123 PolarHBondContact O-N 2.96Å; Y123-V169 HydrophobicContact CD2-CB 4.42Å; Y123-V169 HydrophobicContact CD2-CG1 4.11Å; Y123-V169 HydrophobicContact CD2-CG2 3.52Å; Y123-V169 HydrophobicContact CE2-CB 4.22Å; Y123-V169 HydrophobicContact CE2-CG1 3.45Å; Y123-V169 VanDerWaalsContact CE2-CG1 3.45Å; Y123-V169 HydrophobicContact CE2-CG2 3.78Å; Y123-V169 HydrophobicContact CG-CG2 4.27Å
124G74.1Confident79.2Confident14 Ų1468 Ų6814%0.14435%0.345CS..THydrogen-bonded Turntrans93.36.1159.500000117.8F99 L120 T121F99-G124 CarbonylContact O-C 3.51Å; L120-G124 PolarHBondContact O-N 3.04Å; T121-G124 PolarHBondContact O-N 3.32Å
125G81.3Confident79.8Confident8 Ų862.2 Ų62.28%0.08231%0.314CS..  trans-91.8170173.200000113.2F99 V102 L120 T121F99-G125 VanDerWaalsContact O-CA 3.23Å; F99-G125 WeakPolarHBondContact O-CA 3.45Å; F99-G125 PolarHBondContact O-N 3.29Å; V102-G125 CarbonylContact O-C 3.53Å; V102-G125 VanDerWaalsContact O-CA 3.26Å; V102-G125 WeakPolarHBondContact O-CA 3.25Å; L120-G125 WeakPolarHBondContact O-CA 3.49Å; L120-G125 PolarHBondContact O-N 3.38Å; T121-G125 WeakPolarHBondContact CA-O 3.33Å
126E79.5Confident80.2Confident96 Ų9662.2 Ų62.245%0.44931%0.31SS..EExtended strand (participates in β ladder)trans-105.5138.6169.4-65.8-175.516600111V102 T103 A104 L120 Q128V102-E126 PolarHBondContact O-N 3.46Å; T103-E126 CarbonylContact C-O 3.59Å; T103-E126 WeakPolarHBondContact CA-O 3.49Å; T103-E126 HydrophobicContact CG2-CB 4.18Å; T103-E126 PolarHBondContact OG1-OE2 3.15Å; A104-E126 PolarHBondContact N-O 2.91Å; L120-E126 WeakPolarHBondContact CD2-O 3.41Å; E126-Q128 PolarHBondContact OE2-NE2 2.98Å
127C82.1Confident80.8Confident18 Ų1862.4 Ų62.412%0.12231%0.31CS..EExtended strand (participates in β ladder)trans-105.9132.5171.3-68.10000111.1A104 L106 W117A104-C127 WeakPolarHBondContact O-CA 3.49Å; L106-C127 HydrophobicContact CD1-CB 4.2Å; W117-C127 HydrophobicContact CD2-CB 3.42Å; W117-C127 VanDerWaalsContact CD2-CB 3.42Å; W117-C127 HydrophobicContact CE3-CB 4.04Å; W117-C127 HydrophobicContact CG-CB 3.65Å; W117-C127 HydrophobicContact CH2-CB 4.38Å; W117-C127 HydrophobicContact CZ2-CB 3.81Å; W117-C127 HydrophobicContact CZ3-CB 4.48Å
128Q82.3Confident81.2Confident46 Ų4658.4 Ų58.422%0.21530%0.295CS..EExtended strand (participates in β ladder)trans-133.8143.6176.6-57.2-170.91600111.1T103 A104 C105 L106 E126 N132T103-Q128 HydrophobicContact CG2-CG 3.96Å; T103-Q128 VanDerWaalsContact CG2-NE2 3.26Å; A104-Q128 PolarHBondContact O-N 3.09Å; C105-Q128 VanDerWaalsContact CA-O 3.26Å; C105-Q128 WeakPolarHBondContact CA-O 3.46Å; L106-Q128 PolarHBondContact N-O 3.37Å; L106-Q128 VanDerWaalsContact N-O 3.12Å; E126-Q128 PolarHBondContact OE2-NE2 2.98Å; Q128-N132 PolarHBondContact OE1-ND2 3.45Å
129L79.5Confident81.8Confident74 Ų7455.6 Ų55.639%0.38727%0.272SS..SBendtrans-79.6-17.6178.8-74.7171.2000113.6W117 K147W117-L129 HydrophobicContact CH2-CD2 4.48Å; W117-L129 HydrophobicContact CH2-CG 4.01Å; W117-L129 HydrophobicContact CZ3-CD2 3.81Å; W117-L129 HydrophobicContact CZ3-CG 3.84Å; L129-K147 PolarHBondContact O-NZ 2.8Å
130N79.7Confident82.1Confident111 Ų11152.2 Ų52.259%0.59426%0.258SS*.SBendtrans-125.8136.9-169.3-70.5-25.2000112N132N130-N132 PolarHBondContact O-N 3.26Å; N130-N132 PolarHBondContact O-ND2 3.06Å
131L80.1Confident82.1Confident42 Ų4259.4 Ų59.422%0.2229%0.29CS..  trans-67.3128.7171.2-71.3179000110.3C105 V135 L138 K147 C150 I157C105-L131 HydrophobicContact CB-CD2 3.74Å; L131-V135 HydrophobicContact CD2-CB 4.37Å; L131-V135 HydrophobicContact CD2-CG1 3.9Å; L131-L138 HydrophobicContact CD2-CD1 4.32Å; L131-K147 HydrophobicContact CD1-CB 3.84Å; L131-K147 HydrophobicContact CD1-CG 4Å; L131-K147 WeakPolarHBondContact CD1-O 3.46Å; L131-K147 HydrophobicContact CG-CG 4.34Å; L131-C150 HydrophobicContact CD1-CB 3.91Å; L131-I157 HydrophobicContact CD2-CD1 4.49Å
132N82.5Confident82.3Confident69 Ų6962 Ų6237%0.36930%0.299SS..  trans-153.5177.5174.468.869.7000109.5Q128 N130 K134 V135Q128-N132 PolarHBondContact OE1-ND2 3.45Å; N130-N132 PolarHBondContact O-N 3.26Å; N130-N132 PolarHBondContact O-ND2 3.06Å; N132-K134 PolarHBondContact O-N 3.01Å; N132-K134 VanDerWaalsContact O-N 3.1Å; N132-K134 WeakPolarHBondContact OD1-CB 3.41Å; N132-K134 PolarHBondContact OD1-N 2.98Å; N132-V135 PolarHBondContact O-N 3.37Å
133K78.8Confident82.6Confident221 Ų22159.4 Ų59.496%0.96129%0.29SS*.THydrogen-bonded Turntrans-63.8-13.2-175-65.5-175.6179.9179.50115.6
134K78.6Confident82.8Confident148 Ų14861.4 Ų61.464%0.64330%0.3SS*.THydrogen-bonded Turntrans-87.3-17.5173.5-62.6-169.9173.3-1680113.3T103 N132 T136T103-K134 WeakPolarHBondContact CB-O 3.4Å; N132-K134 PolarHBondContact O-N 3.01Å; N132-K134 VanDerWaalsContact O-N 3.1Å; N132-K134 WeakPolarHBondContact OD1-CB 3.41Å; N132-K134 PolarHBondContact OD1-N 2.98Å; K134-T136 PolarHBondContact O-N 2.87Å
135V86.8Confident83.2Confident8 Ų862.7 Ų62.75%0.04831%0.313CS..  trans-70128.3-176.9176.90000110.3T103 C105 L131 N132 H137T103-V135 HydrophobicContact CG2-CG2 4.35Å; C105-V135 HydrophobicContact CB-CG1 3.71Å; C105-V135 HydrophobicContact CB-CG2 4.27Å; L131-V135 HydrophobicContact CD2-CB 4.37Å; L131-V135 HydrophobicContact CD2-CG1 3.9Å; N132-V135 PolarHBondContact O-N 3.37Å; V135-H137 WeakPolarHBondContact CG1-O 3.39Å
136T88.8Confident83.2Confident42 Ų4266.1 Ų66.126%0.25834%0.341SS..  trans-104-30178.860.20000112.1T103 K134 I157 K158T103-T136 PolarHBondContact N-OG1 3.29Å; T103-T136 VanDerWaalsContact N-OG1 3.14Å; T103-T136 PolarHBondContact O-N 3.44Å; T103-T136 PolarHBondContact O-OG1 3.33Å; K134-T136 PolarHBondContact O-N 2.87Å; T136-I157 WeakPolarHBondContact O-CA 3.49Å; T136-K158 PolarHBondContact O-N 3.4Å
137H91.1Very high83.5Confident12 Ų1264.6 Ų64.66%0.05633%0.333CS..EExtended strand (participates in β ladder)trans-131143.6-176.7-65.666.3000111V102 T103 A104 C105 V135 K158 W164 E177V102-H137 HydrophobicContact CG1-CB 4.34Å; T103-H137 PolarHBondContact O-N 2.92Å; A104-H137 CarbonylContact C-O 3.54Å; A104-H137 WeakPolarHBondContact CA-O 3.46Å; A104-H137 HydrophobicContact CB-CB 4.23Å; C105-H137 PolarHBondContact N-O 3.35Å; V135-H137 WeakPolarHBondContact CG1-O 3.39Å; H137-K158 CarbonylContact C-O 3.44Å; H137-K158 VanDerWaalsContact CA-O 3.31Å; H137-K158 WeakPolarHBondContact CA-O 3.37Å; H137-W164 AromaticContact CD2-CH2 3.56Å; H137-W164 AromaticContact CD2-CZ2 3.86Å; H137-W164 AromaticContact NE2-CH2 3.67Å; H137-W164 AromaticContact NE2-CZ2 3.72Å; H137-E177 WeakPolarHBondContact NE2-CG 3.49Å; H137-E177 IonicContact NE2-OE1 2.71Å
138L90.3Very high83.7Confident0 Ų064 Ų640%033%0.328CS..EExtended strand (participates in β ladder)trans-117.1122.9168.2173.765.9000108.5C105 P107 L131 V140 K147 F148 A151 I157 K158 I159 V160C105-L138 HydrophobicContact CB-CD1 4.07Å; P107-L138 HydrophobicContact CG-CD1 3.89Å; L131-L138 HydrophobicContact CD2-CD1 4.32Å; L138-V140 HydrophobicContact CD1-CG1 4.25Å; L138-V140 HydrophobicContact CD2-CG1 4.37Å; L138-V140 HydrophobicContact CD2-CG2 4.46Å; L138-V140 HydrophobicContact CG-CG1 4.14Å; L138-V140 HydrophobicContact CG-CG2 4.26Å; L138-K147 HydrophobicContact CD1-CB 4.26Å; L138-K147 HydrophobicContact CD2-CB 4.31Å; L138-K147 WeakPolarHBondContact CD2-O 3.4Å; L138-F148 HydrophobicContact CD2-CB 4.45Å; L138-A151 HydrophobicContact CB-CB 4.34Å; L138-A151 HydrophobicContact CD2-CB 3.63Å; L138-I157 HydrophobicContact CB-CG2 4.12Å; L138-K158 PolarHBondContact N-O 3.48Å; L138-I159 HydrophobicContact CD2-CG2 4.48Å; L138-I159 WeakPolarHBondContact O-CA 3.36Å; L138-V160 PolarHBondContact O-N 3.28Å
139V88.8Confident83.8Confident0 Ų066.6 Ų66.60%034%0.34CS..EExtended strand (participates in β ladder)trans-103.1117.2-177.7-174.20000108.9A104 C105 L106 P107 V160 P162 I165A104-V139 HydrophobicContact CB-CG2 4.21Å; C105-V139 PolarHBondContact O-N 3.13Å; L106-V139 HydrophobicContact CD2-CB 3.8Å; L106-V139 HydrophobicContact CD2-CG1 3.91Å; L106-V139 HydrophobicContact CD2-CG2 4.27Å; P107-V139 WeakPolarHBondContact CD-O 3.48Å; V139-V160 CarbonylContact C-O 3.57Å; V139-V160 WeakPolarHBondContact CA-O 3.46Å; V139-V160 HydrophobicContact CG2-CG2 4.01Å; V139-P162 HydrophobicContact CG1-CG 4.27Å; V139-I165 HydrophobicContact CG1-CD1 4.1Å; V139-I165 HydrophobicContact CG2-CD1 4.11Å
140V87.7Confident84.1Confident13 Ų1365.2 Ų65.28%0.07934%0.336CS..  trans-147.4136.7-173.2-86.80000111.3P107 L138 F148 I159 V160 T161 P182P107-V140 HydrophobicContact CG-CG1 3.83Å; L138-V140 HydrophobicContact CD1-CG1 4.25Å; L138-V140 HydrophobicContact CD2-CG1 4.37Å; L138-V140 HydrophobicContact CD2-CG2 4.46Å; L138-V140 HydrophobicContact CG-CG1 4.14Å; L138-V140 HydrophobicContact CG-CG2 4.26Å; V140-F148 HydrophobicContact CG2-CD2 4.26Å; V140-I159 HydrophobicContact CG2-CG2 3.56Å; V140-V160 PolarHBondContact N-O 3.35Å; V140-T161 WeakPolarHBondContact O-CA 3.27Å; V140-P182 HydrophobicContact CG2-CG 3.68Å; V140-P182 WeakPolarHBondContact O-CG 3.49Å
141K82.1Confident84.3Confident151 Ų15160 Ų6066%0.65731%0.309SS*.SBendtrans-73.9-32.5177.3-171.9177180-179.80113L109L109-K141 HydrophobicContact CD2-CB 4.3Å
142E81.5Confident84.6Confident87 Ų8762 Ų6241%0.40732%0.319SS..SBendtrans-126.4151.5-175.7-73.6179.3-116.600112K144 Y186E142-K144 HydrophobicContact CB-CG 4.44Å; E142-K144 PolarHBondContact O-N 3.37Å; E142-K144 WeakPolarHBondContact OE2-CD 3.34Å; E142-K144 VanDerWaalsContact OE2-CE 3.3Å; E142-K144 WeakPolarHBondContact OE2-CE 3.48Å; E142-K144 IonicContact OE2-NZ 2.69Å; E142-K144 PolarHBondContact OE2-NZ 3.26Å; E142-Y186 HydrophobicContact CG-CD2 4.14Å; E142-Y186 HydrophobicContact CG-CE2 4.32Å
143P84.3Confident84.7Confident22 Ų2265.6 Ų65.614%0.14333%0.331CS..SBendtrans-79.147.517835-36.9000112.7F148 P182 R183 Y186P143-F148 HydrophobicContact CB-CE1 3.81Å; P143-F148 HydrophobicContact CB-CE2 4.02Å; P143-F148 HydrophobicContact CB-CZ 3.48Å; P143-F148 VanDerWaalsContact CB-CZ 3.48Å; P143-F148 VanDerWaalsContact O-CD1 3.31Å; P143-F148 WeakPolarHBondContact O-CD1 3.39Å; P143-F148 WeakPolarHBondContact O-CE1 3.49Å; P143-P182 HydrophobicContact CB-CB 4.35Å; P143-R183 HydrophobicContact CB-CG 3.68Å; P143-R183 HydrophobicContact CG-CG 4.14Å; P143-Y186 HydrophobicContact CG-CD1 4.06Å; P143-Y186 HydrophobicContact CG-CG 3.97Å
144K80.1Confident84.9Confident108 Ų10859.8 Ų59.847%0.4731%0.307SS..  trans-134.1157.7-171.1-62.5178.7-169.6156.30112.8E142 F148 Y186E142-K144 HydrophobicContact CB-CG 4.44Å; E142-K144 PolarHBondContact O-N 3.37Å; E142-K144 WeakPolarHBondContact OE2-CD 3.34Å; E142-K144 VanDerWaalsContact OE2-CE 3.3Å; E142-K144 WeakPolarHBondContact OE2-CE 3.48Å; E142-K144 IonicContact OE2-NZ 2.69Å; E142-K144 PolarHBondContact OE2-NZ 3.26Å; K144-F148 WeakPolarHBondContact O-CB 3.23Å; K144-Y186 WeakPolarHBondContact CE-OH 3.36Å; K144-Y186 PolarHBondContact NZ-OH 3.39Å
145G82Confident84.7Confident41 Ų4159.2 Ų59.242%0.42332%0.319SS..SBendtrans90.1159.2168.300000116K147 F148 E149G145-K147 VanDerWaalsContact C-N 3.25Å; G145-K147 PolarHBondContact O-N 2.85Å; G145-F148 WeakPolarHBondContact O-CB 3.34Å; G145-F148 PolarHBondContact O-N 2.84Å; G145-E149 PolarHBondContact O-N 3.18Å; G145-E149 VanDerWaalsContact O-N 3.12Å
146A81.7Confident84.4Confident79 Ų7961.8 Ų61.865%0.65335%0.347SS*.Hα-helixtrans-57.6-28.3-167.400000115.5C150A146-C150 VanDerWaalsContact O-CB 3.23Å; A146-C150 WeakPolarHBondContact O-CB 3.34Å; A146-C150 PolarHBondContact O-N 3.19Å
147K84.2Confident84.4Confident65 Ų6561 Ų6128%0.28334%0.341SS..Hα-helixtrans-71.7-41.1174.9-72.4-178179.9176.90112.1P107 L129 L131 L138 G145 C150 A151P107-K147 HydrophobicContact CB-CD 4.13Å; P107-K147 HydrophobicContact CG-CD 3.96Å; L129-K147 PolarHBondContact O-NZ 2.8Å; L131-K147 HydrophobicContact CD1-CB 3.84Å; L131-K147 HydrophobicContact CD1-CG 4Å; L131-K147 WeakPolarHBondContact CD1-O 3.46Å; L131-K147 HydrophobicContact CG-CG 4.34Å; L138-K147 HydrophobicContact CD1-CB 4.26Å; L138-K147 HydrophobicContact CD2-CB 4.31Å; L138-K147 WeakPolarHBondContact CD2-O 3.4Å; G145-K147 VanDerWaalsContact C-N 3.25Å; G145-K147 PolarHBondContact O-N 2.85Å; K147-C150 PolarHBondContact O-N 3.19Å; K147-A151 PolarHBondContact O-N 3.38Å
148F86.4Confident84.4Confident6 Ų665.4 Ų65.43%0.02636%0.36CS..Hα-helixtrans-64.4-46.7175.4176.6-101000110.9L138 V140 P143 K144 G145 C150 A151 L152 I159L138-F148 HydrophobicContact CD2-CB 4.45Å; V140-F148 HydrophobicContact CG2-CD2 4.26Å; P143-F148 HydrophobicContact CB-CE1 3.81Å; P143-F148 HydrophobicContact CB-CE2 4.02Å; P143-F148 HydrophobicContact CB-CZ 3.48Å; P143-F148 VanDerWaalsContact CB-CZ 3.48Å; P143-F148 VanDerWaalsContact O-CD1 3.31Å; P143-F148 WeakPolarHBondContact O-CD1 3.39Å; P143-F148 WeakPolarHBondContact O-CE1 3.49Å; K144-F148 WeakPolarHBondContact O-CB 3.23Å; G145-F148 WeakPolarHBondContact O-CB 3.34Å; G145-F148 PolarHBondContact O-N 2.84Å; F148-C150 VanDerWaalsContact C-N 3.26Å; F148-C150 PolarHBondContact O-N 3.42Å; F148-A151 PolarHBondContact O-N 3.3Å; F148-L152 HydrophobicContact CD1-CD1 3.91Å; F148-L152 HydrophobicContact CE1-CD1 3.47Å; F148-L152 VanDerWaalsContact CE1-CD1 3.47Å; F148-L152 HydrophobicContact CE1-CG 4.29Å; F148-L152 HydrophobicContact CZ-CD1 3.85Å; F148-L152 HydrophobicContact CZ-CG 4.32Å; F148-L152 WeakPolarHBondContact O-CG 3.31Å; F148-L152 PolarHBondContact O-N 3.28Å; F148-I159 HydrophobicContact CD2-CD1 4.01Å; F148-I159 HydrophobicContact CD2-CG2 3.77Å; F148-I159 HydrophobicContact CE2-CD1 4.04Å; F148-I159 HydrophobicContact CE2-CG2 3.87Å
149E85.3Confident84.4Confident100 Ų10066 Ų6647%0.46736%0.363SS..Hα-helixtrans-61.1-31.1173.6-70.6179.2-134.100114.2G145 K153G145-E149 PolarHBondContact O-N 3.18Å; G145-E149 VanDerWaalsContact O-N 3.12Å; E149-K153 WeakPolarHBondContact O-CD 3.34Å; E149-K153 WeakPolarHBondContact O-CE 3.28Å; E149-K153 WeakPolarHBondContact O-CG 3.46Å; E149-K153 PolarHBondContact O-NZ 3.49Å; E149-K153 IonicContact OE2-NZ 3.27Å
150C84.8Confident84.6Confident45 Ų4566 Ų6630%0.30436%0.363SS..Hα-helixtrans-73.4-46.6175.4179.80000111L131 A146 K147 F148 L152 K153 H154L131-C150 HydrophobicContact CD1-CB 3.91Å; A146-C150 VanDerWaalsContact O-CB 3.23Å; A146-C150 WeakPolarHBondContact O-CB 3.34Å; A146-C150 PolarHBondContact O-N 3.19Å; K147-C150 PolarHBondContact O-N 3.19Å; F148-C150 VanDerWaalsContact C-N 3.26Å; F148-C150 PolarHBondContact O-N 3.42Å; C150-L152 VanDerWaalsContact C-N 3.34Å; C150-L152 PolarHBondContact O-N 3.03Å; C150-K153 WeakPolarHBondContact O-CB 3.42Å; C150-K153 PolarHBondContact O-N 3.02Å; C150-K153 VanDerWaalsContact O-N 3.07Å; C150-H154 PolarHBondContact O-CD2 3.44Å; C150-H154 VanDerWaalsContact O-CD2 3.27Å
151A85.5Confident84.6Confident2 Ų265.5 Ų65.52%0.01736%0.36CS..Hα-helixtrans-61.3-39.8177.200000112.4L138 K147 F148 K153 H154 I157 I159L138-A151 HydrophobicContact CB-CB 4.34Å; L138-A151 HydrophobicContact CD2-CB 3.63Å; K147-A151 PolarHBondContact O-N 3.38Å; F148-A151 PolarHBondContact O-N 3.3Å; A151-K153 PolarHBondContact O-N 3.48Å; A151-K153 VanDerWaalsContact O-N 3.08Å; A151-H154 CarbonylContact O-C 3.45Å; A151-H154 PolarHBondContact O-N 3.46Å; A151-I157 HydrophobicContact CB-CB 4.28Å; A151-I157 HydrophobicContact CB-CG2 3.88Å; A151-I159 HydrophobicContact CB-CD1 3.67Å; A151-I159 HydrophobicContact CB-CG1 3.87Å
152L85.5Confident84.9Confident84 Ų8459.4 Ų59.444%0.4434%0.336SS..THydrogen-bonded Turntrans-59.2-20.4174.5-75.5177.2000114.2F148 C150 I159F148-L152 HydrophobicContact CD1-CD1 3.91Å; F148-L152 HydrophobicContact CE1-CD1 3.47Å; F148-L152 VanDerWaalsContact CE1-CD1 3.47Å; F148-L152 HydrophobicContact CE1-CG 4.29Å; F148-L152 HydrophobicContact CZ-CD1 3.85Å; F148-L152 HydrophobicContact CZ-CG 4.32Å; F148-L152 WeakPolarHBondContact O-CG 3.31Å; F148-L152 PolarHBondContact O-N 3.28Å; C150-L152 VanDerWaalsContact C-N 3.34Å; C150-L152 PolarHBondContact O-N 3.03Å; L152-I159 HydrophobicContact CD2-CD1 3.84Å; L152-I159 HydrophobicContact CG-CD1 3.95Å
153K84.4Confident85.2Confident143 Ų14358.8 Ų58.862%0.62234%0.335SS*.THydrogen-bonded Turntrans-89.6-1176.8-64.5159.9-168.3157.50112.5E149 C150 A151E149-K153 WeakPolarHBondContact O-CD 3.34Å; E149-K153 WeakPolarHBondContact O-CE 3.28Å; E149-K153 WeakPolarHBondContact O-CG 3.46Å; E149-K153 PolarHBondContact O-NZ 3.49Å; E149-K153 IonicContact OE2-NZ 3.27Å; C150-K153 WeakPolarHBondContact O-CB 3.42Å; C150-K153 PolarHBondContact O-N 3.02Å; C150-K153 VanDerWaalsContact O-N 3.07Å; A151-K153 PolarHBondContact O-N 3.48Å; A151-K153 VanDerWaalsContact O-N 3.08Å
154H82.3Confident85.5Confident100 Ų10057.7 Ų57.746%0.46333%0.328SS..  trans-131.496.2-175.7-67.9-52.9000111.5C150 A151 G156 I157C150-H154 PolarHBondContact O-CD2 3.44Å; C150-H154 VanDerWaalsContact O-CD2 3.27Å; A151-H154 CarbonylContact O-C 3.45Å; A151-H154 PolarHBondContact O-N 3.46Å; H154-G156 PolarHBondContact O-N 3.23Å; H154-I157 HydrophobicContact CB-CD1 4.02Å; H154-I157 HydrophobicContact CB-CG1 4.15Å; H154-I157 PolarHBondContact O-N 3.46Å
155P76.1Confident85.9Confident135 Ų13552.6 Ų52.688%0.87731%0.306SS*.THydrogen-bonded Turntrans-66.2-6-173.327.1-36000115.2
156G80.3Confident86.2Confident63 Ų6353.3 Ų53.365%0.64930%0.303SS*.THydrogen-bonded Turntrans-83.2-8.817100000114.8H154H154-G156 PolarHBondContact O-N 3.23Å
157I88.7Confident86.4Confident26 Ų2651.4 Ų51.413%0.13328%0.281CS..SBendtrans-101119.5178.9-55.4-179.1000109.3L131 T136 L138 A151 H154L131-I157 HydrophobicContact CD2-CD1 4.49Å; T136-I157 WeakPolarHBondContact O-CA 3.49Å; L138-I157 HydrophobicContact CB-CG2 4.12Å; A151-I157 HydrophobicContact CB-CB 4.28Å; A151-I157 HydrophobicContact CB-CG2 3.88Å; H154-I157 HydrophobicContact CB-CD1 4.02Å; H154-I157 HydrophobicContact CB-CG1 4.15Å; H154-I157 PolarHBondContact O-N 3.46Å
158K90.7Very high86.6Confident103 Ų10348.3 Ų48.345%0.44827%0.268SS..EExtended strand (participates in β ladder)trans-77.1141.5170.4-59-59.6-172.6172.90109.8T136 H137 L138 E177T136-K158 PolarHBondContact O-N 3.4Å; H137-K158 CarbonylContact C-O 3.44Å; H137-K158 VanDerWaalsContact CA-O 3.31Å; H137-K158 WeakPolarHBondContact CA-O 3.37Å; L138-K158 PolarHBondContact N-O 3.48Å; K158-E177 HydrophobicContact CB-CB 4.19Å; K158-E177 HydrophobicContact CB-CG 4.31Å; K158-E177 HydrophobicContact CD-CB 4.38Å; K158-E177 HydrophobicContact CG-CB 4.26Å; K158-E177 HydrophobicContact CG-CG 4.2Å
159I91.1Very high86.5Confident14 Ų1448.8 Ų48.87%0.07227%0.271CS..EExtended strand (participates in β ladder)trans-118.9119.9178.1-49.4178.8000108.4L138 V140 F148 A151 L152 H181 P182L138-I159 HydrophobicContact CD2-CG2 4.48Å; L138-I159 WeakPolarHBondContact O-CA 3.36Å; V140-I159 HydrophobicContact CG2-CG2 3.56Å; F148-I159 HydrophobicContact CD2-CD1 4.01Å; F148-I159 HydrophobicContact CD2-CG2 3.77Å; F148-I159 HydrophobicContact CE2-CD1 4.04Å; F148-I159 HydrophobicContact CE2-CG2 3.87Å; A151-I159 HydrophobicContact CB-CD1 3.67Å; A151-I159 HydrophobicContact CB-CG1 3.87Å; L152-I159 HydrophobicContact CD2-CD1 3.84Å; L152-I159 HydrophobicContact CG-CD1 3.95Å; I159-H181 PolarHBondContact O-CD2 3.29Å; I159-P182 HydrophobicContact CG2-CG 4.03Å
160V91.4Very high86.1Confident0 Ų051.1 Ų51.10%028%0.28CS..EExtended strand (participates in β ladder)trans-133.8155.9-172.2-62.40000111.9L138 V139 V140 W164 E177 Y180L138-V160 PolarHBondContact O-N 3.28Å; V139-V160 CarbonylContact C-O 3.57Å; V139-V160 WeakPolarHBondContact CA-O 3.46Å; V139-V160 HydrophobicContact CG2-CG2 4.01Å; V140-V160 PolarHBondContact N-O 3.35Å; V160-W164 HydrophobicContact CB-CB 3.9Å; V160-W164 HydrophobicContact CB-CD2 4.36Å; V160-W164 HydrophobicContact CB-CG 4.05Å; V160-W164 HydrophobicContact CG1-CB 4.38Å; V160-W164 HydrophobicContact CG1-CD2 4.23Å; V160-W164 HydrophobicContact CG1-CG 4.04Å; V160-W164 HydrophobicContact CG2-CB 4.19Å; V160-W164 HydrophobicContact CG2-CD2 4.1Å; V160-W164 HydrophobicContact CG2-CE3 3.89Å; V160-W164 HydrophobicContact CG2-CG 4.25Å; V160-E177 HydrophobicContact CG1-CB 3.85Å; V160-E177 HydrophobicContact CG1-CG 4.36Å; V160-Y180 CarbonylContact C-O 3.53Å; V160-Y180 VanDerWaalsContact CA-O 3.27Å; V160-Y180 WeakPolarHBondContact CA-O 3.38Å
161T89.3Confident85.8Confident2 Ų253.2 Ų53.21%0.01229%0.288CS..  trans-76.9163.3166.965.60000111.5V140 D163 W164 Y180 P182 T185V140-T161 WeakPolarHBondContact O-CA 3.27Å; T161-D163 WeakPolarHBondContact CB-OD2 3.47Å; T161-D163 PolarHBondContact O-N 3.24Å; T161-D163 PolarHBondContact OG1-OD2 3.43Å; T161-W164 WeakPolarHBondContact O-CB 3.45Å; T161-W164 PolarHBondContact O-N 3.05Å; T161-Y180 WeakPolarHBondContact CG2-O 3.2Å; T161-Y180 PolarHBondContact N-O 3.16Å; T161-P182 HydrophobicContact CG2-CB 4.18Å; T161-P182 HydrophobicContact CG2-CG 4.15Å; T161-T185 HydrophobicContact CG2-CG2 4.38Å
162P88Confident85.3Confident22 Ų2261 Ų6114%0.14332%0.321CS..THydrogen-bonded Turntrans-52.6-31.4171.2-30.538.9000114.5L109 L116 V139 W164 I165 T166L109-P162 HydrophobicContact CD1-CG 4.09Å; L116-P162 HydrophobicContact CD1-CB 3.79Å; L116-P162 HydrophobicContact CD1-CG 4.23Å; L116-P162 HydrophobicContact CD2-CB 4.02Å; V139-P162 HydrophobicContact CG1-CG 4.27Å; P162-W164 PolarHBondContact O-N 2.97Å; P162-I165 WeakPolarHBondContact O-CB 3.39Å; P162-I165 PolarHBondContact O-N 3.43Å; P162-T166 PolarHBondContact O-N 3.02Å
163D87Confident85Confident74 Ų7461 Ų6140%0.39632%0.322SS..Hα-helixtrans-63.2-27.2-175.7-37.8-81.4000112.3T161 I165 T166 D167 Y180T161-D163 WeakPolarHBondContact CB-OD2 3.47Å; T161-D163 PolarHBondContact O-N 3.24Å; T161-D163 PolarHBondContact OG1-OD2 3.43Å; D163-I165 PolarHBondContact O-N 3.11Å; D163-T166 WeakPolarHBondContact CA-OG1 3.45Å; D163-T166 PolarHBondContact O-N 3.44Å; D163-T166 PolarHBondContact O-OG1 3Å; D163-D167 WeakPolarHBondContact O-CB 3.42Å; D163-D167 PolarHBondContact O-N 3.48Å; D163-Y180 HydrophobicContact CB-CD1 3.99Å; D163-Y180 HydrophobicContact CB-CE1 3.97Å
164W91.5Very high85Confident0 Ų058.9 Ų58.90%031%0.31CS..Hα-helixtrans-57.4-36.3172.4178.579.2000112.1F99 V102 L120 H137 V160 T161 P162 S168 R174 K175 E177 Y180F99-W164 AromaticContact CD1-CH2 3.81Å; F99-W164 HydrophobicContact CD1-CH2 3.81Å; F99-W164 AromaticContact CD1-CZ3 3.97Å; F99-W164 HydrophobicContact CD1-CZ3 3.97Å; F99-W164 HydrophobicContact CE1-CE3 4.24Å; F99-W164 AromaticContact CE1-CH2 3.91Å; F99-W164 HydrophobicContact CE1-CH2 3.91Å; F99-W164 HydrophobicContact CE1-CZ2 4.44Å; F99-W164 AromaticContact CE1-CZ3 3.78Å; F99-W164 HydrophobicContact CE1-CZ3 3.78Å; V102-W164 HydrophobicContact CG1-CH2 4.06Å; V102-W164 HydrophobicContact CG1-CZ3 4.37Å; V102-W164 HydrophobicContact CG2-CH2 4.25Å; L120-W164 HydrophobicContact CD1-CZ3 4.18Å; H137-W164 AromaticContact CD2-CH2 3.56Å; H137-W164 AromaticContact CD2-CZ2 3.86Å; H137-W164 AromaticContact NE2-CH2 3.67Å; H137-W164 AromaticContact NE2-CZ2 3.72Å; V160-W164 HydrophobicContact CB-CB 3.9Å; V160-W164 HydrophobicContact CB-CD2 4.36Å; V160-W164 HydrophobicContact CB-CG 4.05Å; V160-W164 HydrophobicContact CG1-CB 4.38Å; V160-W164 HydrophobicContact CG1-CD2 4.23Å; V160-W164 HydrophobicContact CG1-CG 4.04Å; V160-W164 HydrophobicContact CG2-CB 4.19Å; V160-W164 HydrophobicContact CG2-CD2 4.1Å; V160-W164 HydrophobicContact CG2-CE3 3.89Å; V160-W164 HydrophobicContact CG2-CG 4.25Å; T161-W164 WeakPolarHBondContact O-CB 3.45Å; T161-W164 PolarHBondContact O-N 3.05Å; P162-W164 PolarHBondContact O-N 2.97Å; W164-S168 WeakPolarHBondContact O-CB 3.35Å; W164-S168 PolarHBondContact O-N 3.22Å; W164-S168 PolarHBondContact O-OG 3.1Å; W164-R174 HydrophobicContact CH2-CG 4.34Å; W164-R174 HydrophobicContact CZ2-CG 3.65Å; W164-K175 PolarHBondContact NE1-O 2.62Å; W164-E177 HydrophobicContact CZ2-CG 3.83Å; W164-Y180 HydrophobicContact CB-CD1 3.91Å; W164-Y180 HydrophobicContact CB-CD2 4.33Å; W164-Y180 HydrophobicContact CB-CG 3.75Å; W164-Y180 AromaticContact CD1-CD2 3.85Å; W164-Y180 HydrophobicContact CG-CG 4.36Å; W164-Y180 VanDerWaalsContact N-CD1 3.3Å
165I88.5Confident85.2Confident0 Ų056.5 Ų56.50%030%0.298CS..Hα-helixtrans-73.3-51178.1-56178.8000109.7F99 L116 F119 L120 V139 P162 D163 S168 V169F99-I165 HydrophobicContact CE2-CG2 4.05Å; F99-I165 HydrophobicContact CZ-CB 4.35Å; F99-I165 HydrophobicContact CZ-CG2 3.84Å; L116-I165 HydrophobicContact CB-CD1 4.25Å; L116-I165 HydrophobicContact CD2-CB 4.29Å; L116-I165 HydrophobicContact CD2-CD1 4.29Å; F119-I165 HydrophobicContact CB-CG2 3.92Å; L120-I165 HydrophobicContact CB-CD1 4.5Å; L120-I165 HydrophobicContact CB-CG2 4.42Å; L120-I165 HydrophobicContact CD1-CD1 3.88Å; L120-I165 HydrophobicContact CD1-CG1 4.15Å; V139-I165 HydrophobicContact CG1-CD1 4.1Å; V139-I165 HydrophobicContact CG2-CD1 4.11Å; P162-I165 WeakPolarHBondContact O-CB 3.39Å; P162-I165 PolarHBondContact O-N 3.43Å; D163-I165 PolarHBondContact O-N 3.11Å; I165-S168 PolarHBondContact O-N 3.46Å; I165-V169 WeakPolarHBondContact O-CG2 3.49Å; I165-V169 PolarHBondContact O-N 3.05Å
166T87.9Confident85.6Confident57 Ų5754.3 Ų54.335%0.3528%0.279SS..Hα-helixtrans-67.3-42.9-173.455.30000112L116 P162 D163 V169 K170L116-T166 HydrophobicContact CD2-CG2 4.06Å; P162-T166 PolarHBondContact O-N 3.02Å; D163-T166 WeakPolarHBondContact CA-OG1 3.45Å; D163-T166 PolarHBondContact O-N 3.44Å; D163-T166 PolarHBondContact O-OG1 3Å; T166-V169 PolarHBondContact O-N 3.21Å; T166-K170 WeakPolarHBondContact O-CB 3.39Å; T166-K170 PolarHBondContact O-N 3.37Å
167D86.6Confident86.1Confident39 Ų3952.8 Ų52.821%0.20926%0.255CS..Hα-helixtrans-69.6-34.2175.2-85.5-20.6000112.8D163 V169 K170 D171 K175 Y180D163-D167 WeakPolarHBondContact O-CB 3.42Å; D163-D167 PolarHBondContact O-N 3.48Å; D167-V169 VanDerWaalsContact C-N 3.33Å; D167-K170 IonicContact OD1-NZ 3.7Å; D167-K170 PolarHBondContact OD1-NZ 2.86Å; D167-D171 PolarHBondContact O-N 3.04Å; D167-K175 HydrophobicContact CB-CG 4.22Å; D167-K175 WeakPolarHBondContact O-CE 3.34Å; D167-Y180 HydrophobicContact CB-CE1 4.36Å; D167-Y180 WeakPolarHBondContact CB-OH 3.47Å; D167-Y180 PolarHBondContact OD2-OH 3.29Å
168S86.4Confident85.9Confident0 Ų055.1 Ų55.10%027%0.274CS..Hα-helixtrans-64.4-38.6174.3-67.40000112W164 I165 K172 N173 K175W164-S168 WeakPolarHBondContact O-CB 3.35Å; W164-S168 PolarHBondContact O-N 3.22Å; W164-S168 PolarHBondContact O-OG 3.1Å; I165-S168 PolarHBondContact O-N 3.46Å; S168-K172 CarbonylContact O-C 3.6Å; S168-K172 WeakPolarHBondContact O-CA 3.4Å; S168-K172 PolarHBondContact O-N 2.81Å; S168-K172 VanDerWaalsContact O-N 3.15Å; S168-N173 VanDerWaalsContact CA-O 3.28Å; S168-N173 WeakPolarHBondContact CA-O 3.49Å; S168-N173 PolarHBondContact O-N 2.81Å; S168-K175 WeakPolarHBondContact OG-CG 3.39Å; S168-K175 PolarHBondContact OG-N 3.42Å
169V84.4Confident85.6Confident16 Ų1656 Ų5610%0.09728%0.283CS..Hα-helixtrans-70.6-47.6176167.30000111.5F99 F119 Y123 I165 T166 D167 D171 K172F99-V169 HydrophobicContact CE2-CG2 3.73Å; F99-V169 HydrophobicContact CZ-CG2 4.05Å; F119-V169 HydrophobicContact CB-CG2 4.25Å; F119-V169 HydrophobicContact CD1-CG1 4.01Å; F119-V169 HydrophobicContact CD1-CG2 4.31Å; F119-V169 HydrophobicContact CE1-CG1 4.18Å; F119-V169 HydrophobicContact CG-CG2 4.49Å; Y123-V169 HydrophobicContact CD2-CB 4.42Å; Y123-V169 HydrophobicContact CD2-CG1 4.11Å; Y123-V169 HydrophobicContact CD2-CG2 3.52Å; Y123-V169 HydrophobicContact CE2-CB 4.22Å; Y123-V169 HydrophobicContact CE2-CG1 3.45Å; Y123-V169 VanDerWaalsContact CE2-CG1 3.45Å; Y123-V169 HydrophobicContact CE2-CG2 3.78Å; Y123-V169 HydrophobicContact CG-CG2 4.27Å; I165-V169 WeakPolarHBondContact O-CG2 3.49Å; I165-V169 PolarHBondContact O-N 3.05Å; T166-V169 PolarHBondContact O-N 3.21Å; D167-V169 VanDerWaalsContact C-N 3.33Å; V169-D171 PolarHBondContact O-N 3.04Å; V169-K172 PolarHBondContact O-N 3.22Å; V169-K172 VanDerWaalsContact O-N 3.13Å
170K78.6Confident85.4Confident148 Ų14857 Ų5764%0.64329%0.286SS*.Hα-helixtrans-57.9-47.2-178.3175.3-177164.6-163.90112.5T166 D167 K172T166-K170 WeakPolarHBondContact O-CB 3.39Å; T166-K170 PolarHBondContact O-N 3.37Å; D167-K170 IonicContact OD1-NZ 3.7Å; D167-K170 PolarHBondContact OD1-NZ 2.86Å; K170-K172 VanDerWaalsContact C-N 3.32Å
171D77.1Confident85.2Confident90 Ų9059.2 Ų59.248%0.48130%0.296SS..THydrogen-bonded Turntrans-90.84.6179.1-67-5.8000113D167 V169 N173 K175D167-D171 PolarHBondContact O-N 3.04Å; V169-D171 PolarHBondContact O-N 3.04Å; D171-N173 PolarHBondContact O-N 2.92Å; D171-K175 IonicContact OD2-NZ 2.71Å; D171-K175 PolarHBondContact OD2-NZ 3.24Å
172K75.5Confident85Confident164 Ų16459.1 Ų59.171%0.71330%0.295SS*.THydrogen-bonded Turntrans54.630.4177.6-58-177178.9-177.70114.8S168 V169 K170S168-K172 CarbonylContact O-C 3.6Å; S168-K172 WeakPolarHBondContact O-CA 3.4Å; S168-K172 PolarHBondContact O-N 2.81Å; S168-K172 VanDerWaalsContact O-N 3.15Å; V169-K172 PolarHBondContact O-N 3.22Å; V169-K172 VanDerWaalsContact O-N 3.13Å; K170-K172 VanDerWaalsContact C-N 3.32Å
173N78.9Confident84.7Confident84 Ų8465.1 Ų65.145%0.44932%0.315SS..SBendtrans-151.5136.3-177.2-178.727.7000110S168 D171 K175S168-N173 VanDerWaalsContact CA-O 3.28Å; S168-N173 WeakPolarHBondContact CA-O 3.49Å; S168-N173 PolarHBondContact O-N 2.81Å; D171-N173 PolarHBondContact O-N 2.92Å; N173-K175 PolarHBondContact O-N 2.68Å
174R84.1Confident84.3Confident99 Ų9967.3 Ų67.337%0.37433%0.326SS..PPolyproline II helixtrans-67.3125.6-176.9-159174.487-138.43.9110.3I98 F99 W164 E177I98-R174 HydrophobicContact CG2-CB 4.09Å; I98-R174 WeakPolarHBondContact O-CD 3.31Å; F99-R174 HydrophobicContact CD1-CG 4.35Å; F99-R174 HydrophobicContact CE1-CG 4.45Å; W164-R174 HydrophobicContact CH2-CG 4.34Å; W164-R174 HydrophobicContact CZ2-CG 3.65Å; R174-E177 IonicContact CZ-OE1 3.95Å; R174-E177 IonicContact NE-OE1 3.71Å; R174-E177 PolarHBondContact NE-OE1 2.91Å; R174-E177 IonicContact NH2-OE1 2.98Å; R174-E177 PolarHBondContact NH2-OE1 2.95Å
175K87.2Confident83Confident51 Ų5171.3 Ų71.322%0.22235%0.351CS..PPolyproline II helixtrans-74.8153.6178.5-61.8-61.4-171.71750111.5W164 D167 S168 D171 N173 E177 Y180W164-K175 PolarHBondContact NE1-O 2.62Å; D167-K175 HydrophobicContact CB-CG 4.22Å; D167-K175 WeakPolarHBondContact O-CE 3.34Å; S168-K175 WeakPolarHBondContact OG-CG 3.39Å; S168-K175 PolarHBondContact OG-N 3.42Å; D171-K175 IonicContact OD2-NZ 2.71Å; D171-K175 PolarHBondContact OD2-NZ 3.24Å; N173-K175 PolarHBondContact O-N 2.68Å; K175-E177 PolarHBondContact O-N 3.09Å; K175-Y180 HydrophobicContact CB-CD2 4.2Å; K175-Y180 HydrophobicContact CB-CE2 3.6Å; K175-Y180 HydrophobicContact CG-CE2 3.95Å
176D84.7Confident81.9Confident88 Ų8874.5 Ų74.547%0.47136%0.363SS..PPolyproline II helixtrans-60.8122170.7-174.2-39.7000109.6S178 L179 Y180D176-S178 PolarHBondContact O-N 3.38Å; D176-S178 VanDerWaalsContact OD1-CB 3.25Å; D176-S178 WeakPolarHBondContact OD1-CB 3.43Å; D176-S178 PolarHBondContact OD1-N 3.48Å; D176-S178 PolarHBondContact OD1-OG 3.11Å; D176-L179 HydrophobicContact CB-CD1 4.15Å; D176-L179 HydrophobicContact CB-CG 4.21Å; D176-L179 PolarHBondContact O-N 3.46Å; D176-Y180 WeakPolarHBondContact O-CD2 3.29Å
177E90.2Very high80.5Confident31 Ų3177.8 Ų77.815%0.14538%0.383CS..G310 helixtrans-65.7-19.8-175.2-56.583.3-167.900112.8H137 K158 V160 W164 R174 K175H137-E177 WeakPolarHBondContact NE2-CG 3.49Å; H137-E177 IonicContact NE2-OE1 2.71Å; K158-E177 HydrophobicContact CB-CB 4.19Å; K158-E177 HydrophobicContact CB-CG 4.31Å; K158-E177 HydrophobicContact CD-CB 4.38Å; K158-E177 HydrophobicContact CG-CB 4.26Å; K158-E177 HydrophobicContact CG-CG 4.2Å; V160-E177 HydrophobicContact CG1-CB 3.85Å; V160-E177 HydrophobicContact CG1-CG 4.36Å; W164-E177 HydrophobicContact CZ2-CG 3.83Å; R174-E177 IonicContact CZ-OE1 3.95Å; R174-E177 IonicContact NE-OE1 3.71Å; R174-E177 PolarHBondContact NE-OE1 2.91Å; R174-E177 IonicContact NH2-OE1 2.98Å; R174-E177 PolarHBondContact NH2-OE1 2.95Å; K175-E177 PolarHBondContact O-N 3.09Å
178S84.3Confident78.9Confident75 Ų7583 Ų8352%0.52441%0.406SS..G310 helixtrans-75-29.1-178.969.30000114D176 Y180D176-S178 PolarHBondContact O-N 3.38Å; D176-S178 VanDerWaalsContact OD1-CB 3.25Å; D176-S178 WeakPolarHBondContact OD1-CB 3.43Å; D176-S178 PolarHBondContact OD1-N 3.48Å; D176-S178 PolarHBondContact OD1-OG 3.11Å; S178-Y180 PolarHBondContact O-N 3.29Å
179L84.6Confident76.8Confident122 Ų12287.8 Ų87.864%0.63944%0.44SS*.G310 helixtrans-73.7-15.6-179.4-60.9178.7000113.1D176 L184D176-L179 HydrophobicContact CB-CD1 4.15Å; D176-L179 HydrophobicContact CB-CG 4.21Å; D176-L179 PolarHBondContact O-N 3.46Å; L179-L184 WeakPolarHBondContact O-CD1 3.2Å
180Y87.4Confident74.7Confident36 Ų3695.5 Ų95.514%0.14148%0.475CS..G310 helixtrans-113.424.2-174.4-67.7-97.3000112.2V160 T161 D163 W164 D167 K175 D176 S178V160-Y180 CarbonylContact C-O 3.53Å; V160-Y180 VanDerWaalsContact CA-O 3.27Å; V160-Y180 WeakPolarHBondContact CA-O 3.38Å; T161-Y180 WeakPolarHBondContact CG2-O 3.2Å; T161-Y180 PolarHBondContact N-O 3.16Å; D163-Y180 HydrophobicContact CB-CD1 3.99Å; D163-Y180 HydrophobicContact CB-CE1 3.97Å; W164-Y180 HydrophobicContact CB-CD1 3.91Å; W164-Y180 HydrophobicContact CB-CD2 4.33Å; W164-Y180 HydrophobicContact CB-CG 3.75Å; W164-Y180 AromaticContact CD1-CD2 3.85Å; W164-Y180 HydrophobicContact CG-CG 4.36Å; W164-Y180 VanDerWaalsContact N-CD1 3.3Å; D167-Y180 HydrophobicContact CB-CE1 4.36Å; D167-Y180 WeakPolarHBondContact CB-OH 3.47Å; D167-Y180 PolarHBondContact OD2-OH 3.29Å; K175-Y180 HydrophobicContact CB-CD2 4.2Å; K175-Y180 HydrophobicContact CB-CE2 3.6Å; K175-Y180 HydrophobicContact CG-CE2 3.95Å; D176-Y180 WeakPolarHBondContact O-CD2 3.29Å; S178-Y180 PolarHBondContact O-N 3.29Å
181H87.3Confident72.9Confident45 Ų4597.5 Ų97.521%0.20849%0.486CS..  trans-70.5132.9178.5-174.2-97.1000111.4I159 R183 L184I159-H181 PolarHBondContact O-CD2 3.29Å; H181-R183 PolarHBondContact ND1-N 3.15Å; H181-R183 PolarHBondContact O-N 3.22Å; H181-L184 HydrophobicContact CB-CD1 4.19Å; H181-L184 HydrophobicContact CB-CG 4.36Å; H181-L184 WeakPolarHBondContact O-CB 3.31Å; H181-L184 WeakPolarHBondContact O-CG 3.27Å; H181-L184 PolarHBondContact O-N 3.38Å
182P84.3Confident70.9Confident0 Ų0101.8 Ų101.80%050%0.503CS..THydrogen-bonded Turntrans-61-8.5-171.9-2329.9000117.3V140 P143 I159 T161 L184 Y186V140-P182 HydrophobicContact CG2-CG 3.68Å; V140-P182 WeakPolarHBondContact O-CG 3.49Å; P143-P182 HydrophobicContact CB-CB 4.35Å; I159-P182 HydrophobicContact CG2-CG 4.03Å; T161-P182 HydrophobicContact CG2-CB 4.18Å; T161-P182 HydrophobicContact CG2-CG 4.15Å; P182-L184 VanDerWaalsContact C-N 3.34Å; P182-Y186 WeakPolarHBondContact O-CB 3.31Å
183R81.9Confident69.1Low149 Ų14999.5 Ų99.556%0.56251%0.508SS*.THydrogen-bonded Turntrans-84.2-5.5171.5-67.3-177.8179.5144.6-2.7113.8P143 H181P143-R183 HydrophobicContact CB-CG 3.68Å; P143-R183 HydrophobicContact CG-CG 4.14Å; H181-R183 PolarHBondContact ND1-N 3.15Å; H181-R183 PolarHBondContact O-N 3.22Å
184L78.4Confident67Low119 Ų119104.7 Ų104.762%0.62353%0.53SS*.SBendtrans-90.1-19177.6-58.5174.8000112.3L179 H181 P182L179-L184 WeakPolarHBondContact O-CD1 3.2Å; H181-L184 HydrophobicContact CB-CD1 4.19Å; H181-L184 HydrophobicContact CB-CG 4.36Å; H181-L184 WeakPolarHBondContact O-CB 3.31Å; H181-L184 WeakPolarHBondContact O-CG 3.27Å; H181-L184 PolarHBondContact O-N 3.38Å; P182-L184 VanDerWaalsContact C-N 3.34Å
185T65.6Low64.8Low84 Ų84104.3 Ų104.352%0.51555%0.548SS..SBendtrans-114.8-9.9-175.3540000113.6T161T161-T185 HydrophobicContact CG2-CG2 4.38Å
186Y64.6Low62.2Low68 Ų68111.3 Ų111.327%0.26758%0.581SS.*  trans-89.1115.2-177.7-179.4-101.2000110.9E142 P143 K144 P182 E188E142-Y186 HydrophobicContact CG-CD2 4.14Å; E142-Y186 HydrophobicContact CG-CE2 4.32Å; P143-Y186 HydrophobicContact CG-CD1 4.06Å; P143-Y186 HydrophobicContact CG-CG 3.97Å; K144-Y186 WeakPolarHBondContact CE-OH 3.36Å; K144-Y186 PolarHBondContact NZ-OH 3.39Å; P182-Y186 WeakPolarHBondContact O-CB 3.31Å; Y186-E188 HydrophobicContact CD1-CG 4.26Å; Y186-E188 HydrophobicContact CE1-CG 3.42Å; Y186-E188 VanDerWaalsContact CE1-CG 3.42Å
187V58.1Low59.6Low125 Ų125111.6 Ų111.676%0.75859%0.59SS**  trans-96.8134.4166.1-177.70000107.3S189V187-S189 PolarHBondContact O-N 3.49Å
188E53.3Low56.9Low149 Ų149121.1 Ų121.170%0.69663%0.626SS**  trans-73122169-74.8-177.8151.800108.9Y186 E190Y186-E188 HydrophobicContact CD1-CG 4.26Å; Y186-E188 HydrophobicContact CE1-CG 3.42Å; Y186-E188 VanDerWaalsContact CE1-CG 3.42Å; E188-E190 PolarHBondContact O-N 3.35Å; E188-E190 VanDerWaalsContact O-N 3.13Å
189S42.1Very low54.4Low101 Ų101124.2 Ų124.271%0.70664%0.637SS**  trans-68.9103.3162.452.30000107.4V187 E191V187-S189 PolarHBondContact O-N 3.49Å; S189-E191 PolarHBondContact O-N 3.09Å; S189-E191 VanDerWaalsContact O-N 3.15Å
190E40.9Very low51.8Low178 Ų178123.3 Ų123.383%0.83265%0.647SS**  trans-58.6114.6162.1-64.5-177.914600106.9E188 E192E188-E190 PolarHBondContact O-N 3.35Å; E188-E190 VanDerWaalsContact O-N 3.13Å; E190-E192 PolarHBondContact O-N 3.31Å
191E39.3Very low49Very low189 Ų189132.2 Ų132.288%0.88368%0.68SS**  trans-68.7103.6169-71.3-176.2149.100106.4S189 S193S189-E191 PolarHBondContact O-N 3.09Å; S189-E191 VanDerWaalsContact O-N 3.15Å; E191-S193 PolarHBondContact O-N 3.48Å; E191-S193 VanDerWaalsContact O-N 3.16Å
192E35.9Very low46.2Very low180 Ų180135.1 Ų135.184%0.84171%0.705SS**  trans-56.5121.1-173.9-77.4-176.6114.400110.9E190 E194E190-E192 PolarHBondContact O-N 3.31Å; E192-E194 VanDerWaalsContact C-N 3.26Å; E192-E194 PolarHBondContact O-N 3.32Å
193S38.6Very low43.6Very low116 Ų116143.2 Ų143.281%0.81174%0.742SS**  trans-76.577.1176.460.20000110.3E191 A195E191-S193 PolarHBondContact O-N 3.48Å; E191-S193 VanDerWaalsContact O-N 3.16Å; S193-A195 PolarHBondContact O-N 3.25Å; S193-A195 VanDerWaalsContact O-N 3.16Å
194E34.5Very low41.1Very low193 Ų193140.9 Ų140.990%0.90275%0.749SS**  trans-62.5113.4168.1-74-161.8139.200109.8E192E192-E194 VanDerWaalsContact C-N 3.26Å; E192-E194 PolarHBondContact O-N 3.32Å
195A36.8Very low38.7Very low92 Ų92142.9 Ų142.976%0.7676%0.76SS**  trans-138.575.9-176.600000111.6S193S193-A195 PolarHBondContact O-N 3.25Å; S193-A195 VanDerWaalsContact O-N 3.16Å
196E33.9Very low37Very low197 Ų197142.7 Ų142.792%0.92178%0.775SS**  trans-140.8148.1160.1-83.3-174.4-175.400107.4
197S30.3Very low35.3Very low94 Ų94144.9 Ų144.966%0.65780%0.8SS**  cis163.3121.2-8.8168.70000102.9
198Y32.3Very low33.9Very low231 Ų231149.2 Ų149.291%0.90680%0.804SS**  trans-170.7152146-106.5-65.1000111.5
199D31.4Very low32.6Very low141 Ų141146.6 Ų146.675%0.75480%0.803SS**  trans-58.6137.3-172.4-94.9-72.6000116.3
200A31.6Very low33.1Very low102 Ų102146.7 Ų146.784%0.84380%0.801SS**  trans-152.9130.4134.300000112
201R28.3Very low32.5Very low223 Ų223145.4 Ų145.484%0.84280%0.795SS**  trans-79.2175-173.5-58.1168.4-178.5163.5-0.7113.6
202C28.2Very low32Very low106 Ų106143.9 Ų143.972%0.71679%0.787SS**  trans88.994.7153.8-63.80000119.9
203H29Very low31.6Very low170 Ų170140.1 Ų140.179%0.78778%0.781SS**  55.8110.2117.8-60-44.4000121.9
204S29.1Very low31.2Very low100 Ų100143.3 Ų143.370%0.69978%0.783SS**  93.1143119.878.70000120.7
205N28.8Very low31.8Very low161 Ų161138.6 Ų138.686%0.86177%0.769SS**  trans51.4128.6152.2-61.8-5.2000119.9
206G29.9Very low31.6Very low81 Ų81139.2 Ų139.284%0.83577%0.768SS**  trans168.871161.900000115.8
207S28.6Very low31.7Very low113 Ų113135.3 Ų135.379%0.7976%0.762SS**  trans-61152.5167.2-174.50000112.5
208Y28.6Very low31.6Very low217 Ų217134.8 Ų134.885%0.85177%0.772SS**  trans91.7139.9149.7-133.3-104.8000120.7
209S27.1Very low31.6Very low94 Ų94127.8 Ų127.866%0.65777%0.769SS**  trans-89.8-172.9-179-32.40000111.7
210P52.8Low31.8Very low102 Ų102126.8 Ų126.866%0.66277%0.774SS**  cis-132.7-155.8-45.132.2-11.1000111.4
211Q27Very low31.9Very low152 Ų152126.9 Ų126.971%0.7177%0.768SS**  trans92.3135.9140.4-108176.7-49.600121.6
212H28.8Very low32.2Very low156 Ų156118.7 Ų118.772%0.72275%0.753SS**  trans67.4148.7160.8-69.3-65.5000118.5
213S27.5Very low32.5Very low101 Ų101122.2 Ų122.271%0.70676%0.759SS**  cis-160.2142.94.3240000113.5
214Q31.8Very low32.7Very low183 Ų183121.2 Ų121.286%0.85576%0.755SS**  trans38.1170.3133.8-86.6-147.9-19.800123.1
215P45.2Very low32.8Very low94 Ų94121.1 Ų121.161%0.6175%0.754SS**  cis-134.6179.47.235.9-15.6000117.7
216S32.6Very low33Very low105 Ų105117.3 Ų117.373%0.73474%0.74SS**  trans66.9149.115433.70000120.2
217S36.3Very low34.2Very low116 Ų116118 Ų11881%0.81173%0.73SS**  cis-166149-6.844.30000113.2
218G28.8Very low34.3Very low83 Ų83122.6 Ų122.686%0.85673%0.73SS**  trans82.9131.9172.400000114.9
219G32Very low34.3Very low83 Ų83122.3 Ų122.386%0.85673%0.727SS**  cis96.7126.64.300000112.5
220S36.3Very low34.5Very low120 Ų120129.2 Ų129.284%0.83974%0.739SS**  cis-149.6-179.81.9-134.80000108.8
221S32.9Very low33.7Very low104 Ų104130.2 Ų130.273%0.72775%0.746SS**  cis-137.2-163.29.768.80000109.4
222G34.3Very low33.5Very low51 Ų51126.1 Ų126.153%0.52674%0.744SS.*  cis107.5142.40.900000113.9
223E35.6Very low35.2Very low180 Ų180124.5 Ų124.584%0.84175%0.747SS**  cis-172157.6-4.8-103.6123.2-119.800108.4
224E32.6Very low35.1Very low149 Ų149129.8 Ų129.870%0.69676%0.758SS**  cis-134.3-121.8-25.7-158.7-139.816600107.5S226E224-S226 VanDerWaalsContact OE1-CB 3.27Å; E224-S226 WeakPolarHBondContact OE1-CB 3.39Å; E224-S226 PolarHBondContact OE1-OG 3.29Å
225S31.5Very low35.1Very low98 Ų98132.5 Ų132.569%0.68576%0.76SS**  cis-157.5135.1-13-152.10000106.2
226S32.8Very low34.3Very low81 Ų81135.2 Ų135.257%0.56677%0.769SS**  cis91.1159.845.6-84.30000114.9E224E224-S226 VanDerWaalsContact OE1-CB 3.27Å; E224-S226 WeakPolarHBondContact OE1-CB 3.39Å; E224-S226 PolarHBondContact OE1-OG 3.29Å
227P54.1Low34Very low97 Ų97136.9 Ų136.963%0.6377%0.769SS**  cis-148.2165.8-38.740.4-23.8000117.2
228R31.6Very low33.7Very low208 Ų208135.9 Ų135.979%0.78576%0.762SS**  trans65.8166.4145.7-71.6164.7-175.9-164.82.6118
229R27.7Very low33.6Very low212 Ų212138.2 Ų138.280%0.876%0.759SS**  cis-150162.8-6.1-129.1168.3-167.4-157.12.5111.5
230R31.3Very low33.6Very low238 Ų238139.4 Ų139.490%0.89876%0.755SS**  trans-70.5165.6164.3-78.9-175.7-176.7-178.82.7111.2
231P37Very low34.1Very low124 Ų124139.4 Ų139.481%0.80575%0.752SS**  cis-140.1-174.126.643-23.7000117.1
232G23.7Very low33.7Very low65 Ų65140.8 Ų140.867%0.6776%0.756SS**  trans-111.8-149.4160.800000110.7
233P62.9Low33.3Very low122 Ų122143.4 Ų143.479%0.79277%0.767SS**  cis-133.6174.2-12.342.1-27.5000114
234K26.2Very low33.9Very low213 Ų213140 Ų14093%0.92676%0.76SS**  trans-170.7159.4146.5-106.5154.9-172.2178.30112
235R32.6Very low33.5Very low240 Ų240145 Ų14591%0.90677%0.772SS**  trans-108.5161.5175.5-65.3-178.3174.9-163.7-0.2110.3
236L26.8Very low33.3Very low151 Ų151149.9 Ų149.979%0.79178%0.781SS**  -173.2147.3125.1-99.3159.4000110.9
237N26.1Very low33.4Very low139 Ų139151.6 Ų151.674%0.74379%0.791SS**  trans35147.9147.1-68.210.1000122.1
238S31.5Very low32Very low95 Ų95156 Ų15666%0.66480%0.803SS**  cis156.8171.1-16.453.40000107.3
239V26.4Very low32.1Very low132 Ų132154.5 Ų154.580%0.881%0.809SS**  trans116.2135.8163.4177.50000115.4
240S31.9Very low32Very low108 Ų108156.5 Ų156.576%0.75582%0.817SS**  trans-135.7160.4167.4-450000107.9
241P47.5Very low31.7Very low121 Ų121150.7 Ų150.779%0.78681%0.813SS**  -137.2-155.196.423.50.6000110.4
242T24.2Very low31.5Very low132 Ų132153.6 Ų153.681%0.8182%0.815SS**  cis-143-143.51660.90000112.8
243S26.1Very low31.6Very low107 Ų107159.4 Ų159.475%0.74882%0.817SS**  trans-168.7-166.9-174.8-143.90000107.9
244P47.7Very low30.1Very low108 Ų108161.5 Ų161.570%0.70182%0.818SS**  cis-136.1175.7-18.441-25.8000114.6
245R24.2Very low30Very low253 Ų253161.4 Ų161.496%0.95582%0.818SS**  trans-172.3161.9136.3-106.6168.5-167.3-1453.3116.4
246K26.2Very low29.8Very low202 Ų202156.5 Ų156.588%0.87881%0.81SS**  trans-64.8175.3-162.9-91.1-175.3174.4-175.60118.9
247P36.6Very low29.6Very low117 Ų117154.6 Ų154.676%0.7680%0.801SS**  trans-102.5167.6-167.540.7-36.3000115.5
248E24.5Very low29.7Very low190 Ų190153.8 Ų153.889%0.88881%0.806SS**  trans-132157.1167.9-66.9-168.9134.900111.8
249L32.4Very low29.6Very low175 Ų175157 Ų15792%0.91682%0.815SS**  trans-83.4139.4177-64.789.9000110.5
250R25.7Very low29.6Very low254 Ų254157.8 Ų157.896%0.95882%0.815SS**  trans-104.6118.2163.3-94.8-175.6170.4177-3.3111
251S26.3Very low29.3Very low116 Ų116159.3 Ų159.381%0.81182%0.815SS**  trans-72.1170.8165460000111.5
252E32.6Very low28.2Very low185 Ų185157.5 Ų157.586%0.86481%0.805SS**  trans-62.7137.2-174.8-57.5163.8120.400113.1
253R25.8Very low28.2Very low188 Ų188156.8 Ų156.871%0.70981%0.805SS**  trans-147.4129150.1-109.4178.9178-1093.7109.2D257R253-D257 IonicContact CZ-OD2 2.65Å; R253-D257 IonicContact NH1-OD2 3.65Å; R253-D257 PolarHBondContact NH1-OD2 3.45Å; R253-D257 IonicContact NH2-OD2 2.98Å; R253-D257 PolarHBondContact NH2-OD2 3.26Å
254M31Very low28.9Very low166 Ų166156.8 Ų156.882%0.81880%0.803SS**  trans-69.4138.4150.7-70.5177.1168.200106.8D256M254-D256 PolarHBondContact O-N 3.42Å
255F24.4Very low27.8Very low211 Ų211159.1 Ų159.193%0.92581%0.805SS**  trans-83.7113.5174.6-96.8-97.1000110.1
256D27.6Very low28Very low136 Ų136154 Ų15473%0.72779%0.789SS**  trans-157.3141.4135.6-160.53.6000107.1M254M254-D256 PolarHBondContact O-N 3.42Å
257D23.8Very low28Very low112 Ų112152.3 Ų152.360%0.59979%0.785SS**  trans167.5107.4174.8-94.1-23.5000109.2R253R253-D257 IonicContact CZ-OD2 2.65Å; R253-D257 IonicContact NH1-OD2 3.65Å; R253-D257 PolarHBondContact NH1-OD2 3.45Å; R253-D257 IonicContact NH2-OD2 2.98Å; R253-D257 PolarHBondContact NH2-OD2 3.26Å
258S27.6Very low27.5Very low121 Ų121149.4 Ų149.485%0.84678%0.776SS**  trans-17881.2155.4-78.70000111.4
259D28.2Very low27.6Very low162 Ų162146.9 Ų146.987%0.86677%0.773SS**  trans-76.4170.6146.5-48.8-67.3000107.7
260D28.2Very low27.3Very low149 Ų149145.3 Ų145.380%0.79777%0.766SS**  cis-162.4153.115-177.213.7000108.4
261D24Very low27.3Very low141 Ų141139.9 Ų139.975%0.75476%0.755SS**  trans-171.7112.9141.4-1534.6000115.4
262S26Very low27.2Very low83 Ų83142 Ų14258%0.5876%0.758SS**  trans21.8114.3143-410000124.7
263S23.2Very low26.6Very low116 Ų116143.2 Ų143.281%0.81175%0.754SS**  56168.3119.7-61.90000123.4
264P40.1Very low26.7Very low108 Ų108139.9 Ų139.970%0.70176%0.755SS**  cis-136.1-173.8-43.439.1-21.5000114.4
265E25.9Very low26.3Very low157 Ų157136.6 Ų136.673%0.73475%0.749SS**  trans70.2159164.2-61.5-150.713100118
266K27.6Very low26.3Very low145 Ų145130.6 Ų130.663%0.6374%0.738SS**  cis-152.7-173.62.1-134.8180-178.477.40113.5
267E27.1Very low26.2Very low167 Ų167132.2 Ų132.278%0.7874%0.741SS**  trans-49.6166.6180-61143.4132.700117.2
268G25.3Very low26.3Very low56 Ų56133.2 Ų133.258%0.57775%0.751SS**  cis158.7-170.2-0.800000112.9
269T26.2Very low26.1Very low136 Ų136133 Ų13383%0.83474%0.744SS**  trans69.4153.9171.677.10000117.8
270N25.8Very low25.8Very low142 Ų142131.1 Ų131.176%0.75974%0.739SS**  cis-149.8162.3-12.3-125.7-20.5000115.2
271L26Very low26.4Very low141 Ų141129.1 Ų129.174%0.73873%0.734SS**  trans-62.1156175.3-60.4150.2000115.1
272N24.1Very low26.4Very low161 Ų161127.9 Ų127.986%0.86173%0.732SS**  -157.8171.3118.2-143-12.1000113.4
273W21.4Very low26.4Very low209 Ų209130.5 Ų130.579%0.79274%0.744SS**  trans-137.7167.9-165.8-101.187.3000113.7
274T26.7Very low26.4Very low118 Ų118128.9 Ų128.972%0.72474%0.737SS**  trans65.9153.4158.3510000119.3
275S24.1Very low25.7Very low98 Ų98128.3 Ų128.369%0.68574%0.742SS**  cis-169178.1-12.3-100.40000113.4
276A23.1Very low26.2Very low85 Ų85126.9 Ų126.970%0.70275%0.746SS**  trans93.8128.215500000120.6
277E25.8Very low26.5Very low169 Ų169126.2 Ų126.279%0.7975%0.754SS**  cis92.1124.716-60169.292.500115.1
278V25.6Very low27.2Very low134 Ų134124.4 Ų124.481%0.81276%0.757SS**  cis-153.1-152.7-7.1-1480000109.7
279V23.6Very low27.3Very low115 Ų115125 Ų12570%0.69776%0.763SS**  trans10991.3144.9-1700000120.4
280T21.3Very low27.3Very low123 Ų123124.6 Ų124.676%0.75577%0.765SS**  37-175.613075.10000123.6
281P42.3Very low27.3Very low108 Ų108121.8 Ų121.870%0.70177%0.77SS**  cis-119.3-166.7-33.921.24.1000111.5
282T23.7Very low27.2Very low114 Ų114118.6 Ų118.670%0.69977%0.772SS**  -175.114356.144.80000116.3
283V25.9Very low28.4Very low139 Ų139116.3 Ų116.384%0.84277%0.766SS**  trans62.5144.3130.8177.10000122.1
284A23.7Very low28.6Very low81 Ų81114.4 Ų114.467%0.66977%0.77SS**  cis-174.7153.5-32.400000112.7
285A25.5Very low28.6Very low96 Ų96112.8 Ų112.879%0.79377%0.769SS**  trans64.3165.8148.800000121.2
286P36.6Very low28.6Very low127 Ų127112.4 Ų112.483%0.82577%0.771SS**  cis-130.7-178.7-33.634.6-16.2000115.1
287V33.3Very low28.6Very low131 Ų131117.8 Ų117.879%0.79478%0.782SS**  trans-99.8163.1172.8-139.80000111.1
288P42Very low28.5Very low129 Ų129114.7 Ų114.784%0.83879%0.785SS**  -146.7155.887.438.2-20.5000114.9
289G26.6Very low28.4Very low68 Ų68119.7 Ų119.770%0.70179%0.789SS**  113.2166.387.700000110.6
290S27.4Very low28.4Very low128 Ų128121 Ų12190%0.89580%0.797SS**  cis-175.7143.6-15.150.50000110
291G25.8Very low28.5Very low84 Ų84119.8 Ų119.887%0.86680%0.8SS**  trans137.6132160.100000118.5
292G22.8Very low27.6Very low74 Ų74123.5 Ų123.576%0.76381%0.808SS**  trans-129.9-136.8156.500000107.7
293P49Very low27.6Very low113 Ų113127.3 Ų127.373%0.73482%0.818SS**  cis-143.6-166.1-18.839.9-19.5000113.7
294L26.8Very low27.4Very low169 Ų169124 Ų12489%0.88581%0.812SS**  trans70.6156.7157.5-64.5174.3000118.7
295A26Very low27.3Very low84 Ų84126.9 Ų126.969%0.69482%0.821SS**  cis-166.8179.2-1300000112.6
296A25Very low27.2Very low89 Ų89127.5 Ų127.574%0.73682%0.82SS**  trans66.9124.1162.300000118
297E23.2Very low26.6Very low198 Ų198124.8 Ų124.893%0.92581%0.814SS**  cis97.3108.649.6-87-157.1106.600114.6
298A23.3Very low26.2Very low105 Ų105125 Ų12587%0.86882%0.818SS**  trans-164.2172159.400000110.7
299R22.6Very low25.4Very low238 Ų238126.7 Ų126.790%0.89882%0.815SS**  trans-125.6147.2-164.4-77-176.7177.3-177.1-0.6116.1
300V24.2Very low25.3Very low142 Ų142127 Ų12786%0.86182%0.818SS**  trans63.2118.6146.9173.50000119.9
301A23.2Very low25.2Very low99 Ų99129.9 Ų129.982%0.81881%0.809SS**  trans-164.5155.4134.900000110.7
302Q24.2Very low25.2Very low186 Ų186132.8 Ų132.887%0.86981%0.805SS**  trans-103.9134.4167.1-73.3179.9-35.600110.2
303Q23.5Very low25.6Very low194 Ų194134 Ų13491%0.90780%0.8SS**  155.3133.9128.1-86-178.21500112.3
304G21.6Very low24.5Very low70 Ų70134 Ų13472%0.72280%0.798SS**  trans101.6129.2140.500000120.4
305V21.7Very low24.6Very low140 Ų140134.6 Ų134.685%0.84880%0.798SS**  trans83.6139.5142.4-169.10000119.7
306S22.3Very low24.7Very low110 Ų110141.4 Ų141.477%0.76981%0.806SS**  trans58.894.2163.255.80000119.8
307G23.6Very low24.8Very low69 Ų69142.5 Ų142.571%0.71180%0.803SS**PPolyproline II helixtrans-93.4145.1136.800000109.6
308P26.2Very low25Very low135 Ų135140.9 Ų140.988%0.87780%0.8SS**PPolyproline II helixtrans-78.3143.2-174.530.8-35000113.2
309E25.1Very low25.2Very low166 Ų166145.7 Ų145.778%0.77680%0.796SS**PPolyproline II helixtrans-81.6155.9171.3-58.6-163.3136.800112.6W311E309-W311 PolarHBondContact OE2-NE1 3.49Å
310G25Very low25.4Very low73 Ų73141.6 Ų141.675%0.75379%0.792SS**  trans173.948.4177.100000113.8
311W24.4Very low25.6Very low189 Ų189141.1 Ų141.172%0.71678%0.783SS**  58.798.6101.9-79.482.2000116.4E309E309-W311 PolarHBondContact OE2-NE1 3.49Å
312N26.2Very low25.8Very low145 Ų145142 Ų14278%0.77578%0.779SS**  -161.1103.1126.7-144.6-12.3000112.4
313P30.1Very low26.2Very low100 Ų100139.7 Ų139.765%0.64977%0.772SS**  trans-10959.8-167.340.4-34.7000115.1
314T26.6Very low26.2Very low114 Ų114137.7 Ų137.770%0.69977%0.768SS**SBendtrans-123.65.4-175.334.50000116.3
315M28.2Very low26.6Very low181 Ų181139.6 Ų139.689%0.89277%0.77SS**SBendtrans-133.432.8-172.9-93.4-75.3-84.800114.9
316R28.7Very low26.8Very low227 Ų227139.9 Ų139.986%0.85777%0.767SS**  trans-134.1-1.8178.8-82.4-169.3172.9149.53.8118.1L318R316-L318 VanDerWaalsContact C-N 3.29Å; R316-L318 PolarHBondContact O-N 3.48Å
317T28Very low27Very low111 Ų111142.8 Ų142.868%0.68177%0.77SS**THydrogen-bonded Turntrans-86.621.3-173-23.40000115.3L604T317-L604 HydrophobicContact CG2-CD1 3.81Å
318L26.3Very low27Very low164 Ų164147.8 Ų147.886%0.85978%0.775SS**THydrogen-bonded Turntrans-132.630.1177-78.9176.1000113.5R316R316-L318 VanDerWaalsContact C-N 3.29Å; R316-L318 PolarHBondContact O-N 3.48Å
319R27.6Very low27.1Very low206 Ų206147.3 Ų147.378%0.77777%0.772SS**SBendtrans-129.881.6161.7-77.1-169.6177.4175.31.4110.2
320N27.5Very low27.1Very low152 Ų152145.4 Ų145.481%0.81377%0.772SS**  trans-172.448.7156.7-99.21.4000111.3
321I26.8Very low27.1Very low132 Ų132149.6 Ų149.668%0.67778%0.777SS**  trans-129.254165.8-44.8-178.8000109.4
322T28.3Very low27Very low118 Ų118152.3 Ų152.372%0.72479%0.787SS**SBendtrans-142.3133.516137.80000107.4
323N32.9Very low27Very low137 Ų137150.7 Ų150.773%0.73378%0.784SS**  trans50.990.4-174.3-70.70.2000116.3
324N23.6Very low26.7Very low153 Ų153151 Ų15182%0.81880%0.796SS**  trans-147110.8134.4-128.314.6000109.3
325S30Very low26.5Very low110 Ų110151.5 Ų151.577%0.76980%0.798SS**  trans-123.161.4-172.8-65.20000110.7M327S325-M327 PolarHBondContact O-N 3.42Å
326D25Very low26.3Very low146 Ų146146.9 Ų146.978%0.78179%0.789SS**  trans-68.1112.6176.1-95.5-50.3000111.5
327M27.2Very low26.1Very low171 Ų171145.7 Ų145.784%0.84279%0.793SS**  trans-131.3116.9165-81.8-107.364.900108.8S325S325-M327 PolarHBondContact O-N 3.42Å
328Q24.3Very low26Very low173 Ų173147.1 Ų147.181%0.80880%0.795SS**  trans-67.1131.5176.1-70-173.2-16.900111.2
329P27Very low25.9Very low126 Ų126145.8 Ų145.882%0.81879%0.787SS**  trans-77.7130.717431-33000110.7
330T24.9Very low25.8Very low125 Ų125144.3 Ų144.377%0.76779%0.789SS**  trans-123.6112.1172.541.20000112.6
331N25.2Very low25.6Very low161 Ų161143.8 Ų143.886%0.86179%0.786SS**  trans54112.1161.3-78.5-25.1000120.1
332R22.8Very low25.5Very low246 Ų246144.6 Ų144.693%0.92879%0.791SS**  trans-147.9166.7132-107.3177.3-173.6-166.50.2109.8
333P26.9Very low25.3Very low111 Ų111145.1 Ų145.172%0.72180%0.795SS**  -97.7154.2-119.336.8-37.8000115.4
334A22.3Very low24.9Very low107 Ų107143.6 Ų143.688%0.88480%0.801SS**  trans-81129167.500000111.3
335V23.5Very low24.9Very low124 Ų124143.5 Ų143.575%0.75280%0.8SS**  trans-126.7126.6170.4174.80000108.8
336A23.3Very low24.6Very low85 Ų85146.4 Ų146.470%0.70280%0.802SS**  trans13.1107.9167.400000119.1
337H25.9Very low24.6Very low201 Ų201145.8 Ų145.893%0.93180%0.803SS**  trans-83.7142.4153.7-90.3-86.1000111
338I24.3Very low24.3Very low141 Ų141146.9 Ų146.972%0.72380%0.803SS**  trans-129.1122.4-179.9-85.4179.5000110.5
339I25.3Very low25.3Very low137 Ų137144 Ų14470%0.70380%0.8SS**  trans59106.2147.3-65.1174.2000119.5
340Q25.3Very low25Very low175 Ų175143.1 Ų143.182%0.81879%0.792SS**  159.8148.6127.5-93.6163.432.400111
341N23.1Very low24.9Very low141 Ų141144.9 Ų144.975%0.75479%0.791SS**  cis-165.1169.1-25.6-134.21.8000110.1
342L24.5Very low24.7Very low148 Ų148144.3 Ų144.378%0.77578%0.783SS**  trans114.799.2158-65169.9000119.4
343T23.8Very low24.7Very low130 Ų130137.7 Ų137.780%0.79877%0.77SS**  37.7108.7129.657.10000121.5
344A24.3Very low24.6Very low105 Ų105138.4 Ų138.487%0.86877%0.768SS**  -155.5151.4110.600000109.4
345N23.3Very low24.8Very low150 Ų150141.1 Ų141.180%0.80276%0.763SS**  trans-158.8159.3-178.5-163.32.5000111.7
346Q24.7Very low25Very low172 Ų172139.2 Ų139.280%0.80476%0.755SS**  trans71.4148.6-178.8-41-173.658.300113.6
347T24.1Very low25.2Very low132 Ų132142.4 Ų142.481%0.8176%0.755SS**  cis-135.3-178.317.845.80000113.2
348K21.6Very low25.1Very low195 Ų195138.1 Ų138.185%0.84874%0.743SS**  trans-115.4-171.5168.5-50.4177.5176178.50108.7
349P44.7Very low25.3Very low112 Ų112138.4 Ų138.473%0.72774%0.741SS**  cis-131.2-158.5-28.619.36.8000112.3
350V22.3Very low25.4Very low108 Ų108139.2 Ų139.266%0.65575%0.745SS**  trans101.6129.3146.1-172.90000119.5
351E21.1Very low25.5Very low161 Ų161136.6 Ų136.675%0.75274%0.736SS**  trans57164.6155.8-72.3164.6171.500121.6
352Q22.2Very low25.6Very low149 Ų149137 Ų13770%0.69674%0.738SS**  cis-172.1168.7-34.8-168.3176.380.800109
353T21.7Very low25.7Very low107 Ų107134 Ų13466%0.65673%0.73SS**  trans67.4125.5164.831.60000117.3
354N24.8Very low25.7Very low127 Ų127134.4 Ų134.468%0.67973%0.727SS**  69.7145.380.6-75.8-2.1000114.4
355Q26.4Very low25.7Very low163 Ų163136.4 Ų136.476%0.76272%0.723SS**  cis-164.8168.10.4-107.1161.9-55.300106.6
356S27.6Very low27.1Very low84 Ų84134.7 Ų134.759%0.58772%0.72SS**  cis-175179.6-6.550.90000110.9
357H27.7Very low27.9Very low152 Ų152131.2 Ų131.270%0.70471%0.713SS**  trans75147.2148.8-89.2-58.7000119.9
358V24.9Very low27.9Very low112 Ų112132.5 Ų132.568%0.67971%0.709SS**  cis-134.11292.2-170.20000108
359Q27.2Very low28Very low146 Ų146131.5 Ų131.568%0.68271%0.705SS**  34.3150.2102.7-56.5172.9-51.900116.5
360I27.4Very low27Very low155 Ų155130.2 Ų130.280%0.79570%0.699SS**  cis-157.516644.5-71.3171.2000108.8
361L27.9Very low27.2Very low120 Ų120134 Ų13463%0.62871%0.71SS**  cis169.5124.4-37.3-159.6170.2000107.8
362N25.4Very low27.4Very low148 Ų148130.8 Ų130.879%0.79171%0.705SS**  trans170.4120.4155.4-89.2-12.3000109.5
363S26.2Very low27.6Very low87 Ų87133.9 Ų133.961%0.60872%0.716SS**  96.1140.466.9-74.70000113.4
364N23.7Very low27.7Very low137 Ų137136.6 Ų136.673%0.73373%0.726SS**  cis-159.4156.2-5.1-96.6-6.2000111.8
365N25.6Very low28.4Very low148 Ų148135.4 Ų135.479%0.79173%0.725SS**  trans55.7135.7155.6-69.12000124.7
366P51Low28.2Very low114 Ų114138 Ų13874%0.7473%0.728SS**  trans-101.8-169.1156.845.2-36000111
367P41.3Very low28.1Very low99 Ų99141.1 Ų141.164%0.64374%0.737SS**  -161.1168.273.744.1-22.6000120.1
368Q24.7Very low28.8Very low158 Ų158139.2 Ų139.274%0.73874%0.738SS**  trans63.5166.8140.3-78.5164.4-23.900121.7
369F24Very low28.8Very low174 Ų174141.3 Ų141.376%0.76375%0.745SS**  cis-133.4177.97.1-131.4-77000113
370S23.8Very low28.9Very low86 Ų86140 Ų14060%0.60175%0.747SS**  trans-123156.6-161.7600000117.4
371Q25.8Very low29.1Very low187 Ų187137.5 Ų137.587%0.87475%0.749SS**  trans177.7137.4140-97.3165.668.100108.3
372S25.5Very low29.5Very low94 Ų94140.6 Ų140.666%0.65776%0.761SS**  cis104.297.712.581.20000116.5
373K26.5Very low29.8Very low214 Ų214143 Ų14393%0.9377%0.767SS**  trans168.9161.3131.6-93.6167.4-177.61770115
374L23.5Very low30Very low163 Ų163148.4 Ų148.485%0.85378%0.783SS**  trans-105.3179.1175.1-81.9156.6000109.4
375P39.6Very low30.6Very low102 Ų102151.1 Ų151.166%0.66279%0.791SS**  cis-140.8-169.9-31.638-18.9000114.6
376R23.9Very low31.1Very low217 Ų217153.1 Ų153.182%0.81980%0.796SS**  trans77.2124.8147.3-84.8-174.7174.8-157-0.6122.5
377L24.4Very low30.1Very low150 Ų150155.6 Ų155.679%0.78580%0.802SS**  trans79.3159.2138-69.9170.4000118.8
378P42.4Very low29.6Very low112 Ų112159.2 Ų159.273%0.72782%0.815SS**  trans-110.5179.6-146.742.9-37.6000114.1
379L24.5Very low30Very low156 Ų156160.8 Ų160.882%0.81782%0.822SS**  trans-164.1152.4143.2-107.9165.7000113.6
380T28.8Very low30.2Very low119 Ų119161.8 Ų161.873%0.7383%0.829SS**  trans18.3133.5158.244.60000122.3
381A33.3Very low30.5Very low102 Ų102165.9 Ų165.984%0.84384%0.839SS**  trans-94.6120.9156.500000110.7
382E36.7Very low30.6Very low186 Ų186166.7 Ų166.787%0.86984%0.843SS**  trans-161.646.1165.8-138.1179.7158.800113.8
383Q31.6Very low30.6Very low198 Ų198165.8 Ų165.893%0.92584%0.837SS**  trans-153.240.9-178.9-138.4167.952.800118
384Q30.4Very low30.7Very low200 Ų200164.1 Ų164.194%0.93583%0.832SS**  trans-146.351.5170.1-151.3164.630.500115.7
385Q34.4Very low31Very low195 Ų195165.4 Ų165.491%0.91183%0.833SS**SBendtrans-134.431.6171.9-153.7169.214.700114.2
386Q36.3Very low30.3Very low190 Ų190165.6 Ų165.689%0.88884%0.843SS**SBendtrans-144.933.9179.1-148.9175.719.500115.1
387L31.2Very low30.4Very low166 Ų166158.6 Ų158.687%0.86984%0.839SS**SBendtrans-151.950.4179.2-127.6162.7000115
388L30.8Very low30.7Very low174 Ų174160.1 Ų160.191%0.91184%0.842SS**SBendtrans-153.343.2164.4-145.276.8000114.6
389Q33Very low30.1Very low192 Ų192163.6 Ų163.690%0.89785%0.848SS**  trans-138.261.7173.7-168.3123.1110.900112.9
390Q28.7Very low30.4Very low194 Ų194164.9 Ų164.991%0.90785%0.85SS**  trans-157.4163.2159.3-130.7169.39100111
391Q28.8Very low30.3Very low172 Ų172167.4 Ų167.480%0.80485%0.853SS**  trans73.370.3169.4-151.1166.5105.800117.3
392Q28.1Very low30.2Very low204 Ų204170.3 Ų170.395%0.95385%0.85SS**  trans-110108.8137.2-86.3-167.5-700108.6
393S25.3Very low29.6Very low76 Ų76169.1 Ų169.153%0.53185%0.848SS.*  trans-161.3130.9174.253.60000110.3
394H29.3Very low30.2Very low179 Ų179164.7 Ų164.783%0.82984%0.837SS**  trans73.1152.2-176.8-38.8-30.3000113
395Q28.8Very low30.1Very low189 Ų189164.7 Ų164.788%0.88384%0.837SS**  cis-145.6146.414.2-157.1169.543.900111.3
396A24.7Very low30Very low106 Ų106164.1 Ų164.188%0.87683%0.834SS**  trans-151.6145.7173.500000111.4
397G27.8Very low30.2Very low70 Ų70160.3 Ų160.372%0.72283%0.826SS**  trans118.4142.4-173.100000111.1
398Q29.8Very low30.1Very low182 Ų182158.9 Ų158.985%0.8582%0.824SS**  cis-146.8157.54.8-58.5174.2-6.800110.1
399Q30Very low30.3Very low185 Ų185159.5 Ų159.586%0.86482%0.822SS**  179.4178112.8-95.4-178.68.900111.7
400H30Very low30.8Very low184 Ų184156.1 Ų156.185%0.85282%0.816SS**  trans-147.6142.1-162.9-119.164.9000110.2
401Q27.8Very low31.2Very low171 Ų171154.5 Ų154.580%0.79981%0.811SS**  -171.2118.6128.9-110.7173.4-9.500116.1
402Q30Very low31.8Very low164 Ų164154.2 Ų154.277%0.76681%0.812SS**  trans68.3175.5138.8-72.3171.4-15.400121.5
403L24.2Very low32.6Very low160 Ų160150.9 Ų150.984%0.83880%0.796SS**  trans-142.7-178.8-141.9-79.3127.2000110.7
404P45.2Very low33.5Very low105 Ų105152.8 Ų152.868%0.68280%0.799SS**  cis-135167.4-27.431.3-13000114.8
405Q28.4Very low34.3Very low201 Ų201149.8 Ų149.894%0.93979%0.786SS**  trans-164.2171.7136.6-113.816296.500113.1
406Q31.1Very low35.1Very low182 Ų182147 Ų14785%0.8577%0.773SS**  trans-105.7-174.4-165.8-55.4-174.3-800113.2
407P42.1Very low36.1Very low111 Ų111148 Ų14872%0.72176%0.759SS**  -133.1140.7-71.738-22.4000114.3
408T27.4Very low37.1Very low136 Ų136151 Ų15183%0.83475%0.754SS**  trans-142.1156.7156.341.90000111.2P410T408-P410 WeakPolarHBondContact O-CD 3.29Å
409H35.9Very low38.1Very low187 Ų187148.7 Ų148.787%0.86675%0.745SS**  trans-68.3121.7-154.9-60-88.3000116.4
410P43.3Very low38.9Very low120 Ų120145.9 Ų145.978%0.77973%0.734SS**  trans-99.831.7-175.139.5-37.2000115.4T408T408-P410 WeakPolarHBondContact O-CD 3.29Å
411M36.3Very low40Very low160 Ų160144.3 Ų144.379%0.78873%0.727SS**  trans-96.9-22.8-168.7-159.8166.371.400116
412M42.8Very low40.9Very low166 Ų166141.8 Ų141.882%0.81872%0.718SS**Hα-helixtrans-72.2-31.5-176.5-163.2-174.7-64.100113.2Q416M412-Q416 PolarHBondContact O-N 3.09Å
413H44.8Very low41.9Very low135 Ų135140.3 Ų140.363%0.62571%0.711SS**Hα-helixtrans-71.5-34.2-172.7-165.2-65.2000113.4Q416 Q417H413-Q416 PolarHBondContact O-N 3.29Å; H413-Q417 PolarHBondContact O-N 3.26Å
414L43.1Very low43.1Very low115 Ų115138.9 Ų138.960%0.60270%0.7SS**Hα-helixtrans-72.8-35.9-177.4-169.762.9000112Q416 Q417 Q418L414-Q416 VanDerWaalsContact C-N 3.33Å; L414-Q416 PolarHBondContact O-N 2.92Å; L414-Q417 PolarHBondContact O-N 3.38Å; L414-Q418 PolarHBondContact O-N 3.36Å
415Q46.3Very low43Very low117 Ų117140.4 Ų140.455%0.54770%0.698SS.*Hα-helixtrans-70.8-29.5177.7-166.2156.130.300112.4Q417 M419Q415-Q417 VanDerWaalsContact C-N 3.3Å; Q415-Q417 PolarHBondContact O-N 3.09Å; Q415-M419 PolarHBondContact O-N 3.27Å
416Q46.8Very low44.1Very low131 Ų131137.2 Ų137.261%0.61268%0.683SS**Hα-helixtrans-65.8-31.7171.7-168.8169.992.100112.3M412 H413 L414M412-Q416 PolarHBondContact O-N 3.09Å; H413-Q416 PolarHBondContact O-N 3.29Å; L414-Q416 VanDerWaalsContact C-N 3.33Å; L414-Q416 PolarHBondContact O-N 2.92Å
417Q45.4Very low44.9Very low127 Ų127135.3 Ų135.359%0.59368%0.675SS**Hα-helixtrans-79.1-39.4-178.3-160.2168.425.700113.3H413 L414 Q415 Q421H413-Q417 PolarHBondContact O-N 3.26Å; L414-Q417 PolarHBondContact O-N 3.38Å; Q415-Q417 VanDerWaalsContact C-N 3.3Å; Q415-Q417 PolarHBondContact O-N 3.09Å; Q417-Q421 PolarHBondContact O-N 3.41Å
418Q47.6Very low44.9Very low131 Ų131137 Ų13761%0.61267%0.672SS**Hα-helixtrans-68.9-37.3176-76.8-173.2-20.100113L414 M420 Q421 L422L414-Q418 PolarHBondContact O-N 3.36Å; Q418-M420 VanDerWaalsContact C-N 3.32Å; Q418-M420 PolarHBondContact O-N 3.41Å; Q418-Q421 PolarHBondContact O-N 2.97Å; Q418-L422 PolarHBondContact O-N 2.88Å
419M51Low45.5Very low134 Ų134138.1 Ų138.166%0.6667%0.668SS**Hα-helixtrans-64.4-37.9179-163.7-174.6-58.900112Q415 Q421 L422 Q423Q415-M419 PolarHBondContact O-N 3.27Å; M419-Q421 VanDerWaalsContact C-N 3.28Å; M419-Q421 PolarHBondContact O-N 2.81Å; M419-L422 PolarHBondContact O-N 2.92Å; M419-Q423 PolarHBondContact O-N 3.41Å; M419-Q423 VanDerWaalsContact O-N 3.15Å
420M48Very low45.8Very low127 Ų127133.5 Ų133.563%0.62666%0.657SS**Hα-helixtrans-62-34.4175.5-168.8177.7-67.800112.3Q418 Q424Q418-M420 VanDerWaalsContact C-N 3.32Å; Q418-M420 PolarHBondContact O-N 3.41Å; M420-Q424 PolarHBondContact O-N 3.44Å
421Q52.2Low45.8Very low150 Ų150135.4 Ų135.470%0.70166%0.656SS**Hα-helixtrans-73-40179.9-167.9165.260.500112.8Q417 Q418 M419 Q424 Q425Q417-Q421 PolarHBondContact O-N 3.41Å; Q418-Q421 PolarHBondContact O-N 2.97Å; M419-Q421 VanDerWaalsContact C-N 3.28Å; M419-Q421 PolarHBondContact O-N 2.81Å; Q421-Q424 PolarHBondContact O-N 3.46Å; Q421-Q425 PolarHBondContact O-N 3.48Å
422L47.3Very low45.8Very low118 Ų118133.4 Ų133.462%0.61865%0.652SS**Hα-helixtrans-68.9-38.7174.6-86.888.4000112.5Q418 M419 Q424 Q425 Q426Q418-L422 PolarHBondContact O-N 2.88Å; M419-L422 PolarHBondContact O-N 2.92Å; L422-Q424 VanDerWaalsContact C-N 3.28Å; L422-Q424 PolarHBondContact O-N 2.87Å; L422-Q425 PolarHBondContact O-N 3.46Å; L422-Q425 VanDerWaalsContact O-N 3.17Å; L422-Q426 PolarHBondContact O-N 2.87Å; L422-Q426 VanDerWaalsContact O-N 3.12Å
423Q51.7Low45.8Very low134 Ų134129.9 Ų129.963%0.62665%0.65SS**Hα-helixtrans-67.4-29.9178.4-168.7164.557.800112.3M419 Q426 Q427M419-Q423 PolarHBondContact O-N 3.41Å; M419-Q423 VanDerWaalsContact O-N 3.15Å; Q423-Q426 WeakPolarHBondContact O-CB 3.18Å; Q423-Q426 PolarHBondContact O-N 2.91Å; Q423-Q427 PolarHBondContact O-N 2.97Å
424Q48.3Very low45.9Very low130 Ų130130.8 Ų130.861%0.60765%0.654SS**Hα-helixtrans-70.7-30.2172.9-162.4172.7103.400112.7M420 Q421 L422 Q427M420-Q424 PolarHBondContact O-N 3.44Å; Q421-Q424 PolarHBondContact O-N 3.46Å; L422-Q424 VanDerWaalsContact C-N 3.28Å; L422-Q424 PolarHBondContact O-N 2.87Å; Q424-Q427 WeakPolarHBondContact O-CB 3.41Å; Q424-Q427 PolarHBondContact O-N 2.84Å
425Q43.3Very low45.7Very low136 Ų136134.4 Ų134.464%0.63667%0.668SS**Hα-helixtrans-69.8-33.9171.2-170.6170.770.200112Q421 L422 Q427 Q428Q421-Q425 PolarHBondContact O-N 3.48Å; L422-Q425 PolarHBondContact O-N 3.46Å; L422-Q425 VanDerWaalsContact O-N 3.17Å; Q425-Q427 PolarHBondContact O-N 2.99Å; Q425-Q428 PolarHBondContact O-N 2.97Å
426Q52.3Low45.6Very low134 Ų134138.7 Ų138.763%0.62669%0.688SS**Hα-helixtrans-62.1-27.1172.4-166.3168.783.800112.4L422 Q423 Q428L422-Q426 PolarHBondContact O-N 2.87Å; L422-Q426 VanDerWaalsContact O-N 3.12Å; Q423-Q426 WeakPolarHBondContact O-CB 3.18Å; Q423-Q426 PolarHBondContact O-N 2.91Å; Q426-Q428 VanDerWaalsContact C-N 3.29Å; Q426-Q428 PolarHBondContact O-N 2.75Å
427Q46.7Very low45.3Very low143 Ų143134.9 Ų134.967%0.66868%0.684SS**Hα-helixtrans-68.9-17.8172.6-106.3177.1-5.900114.6Q423 Q424 Q425Q423-Q427 PolarHBondContact O-N 2.97Å; Q424-Q427 WeakPolarHBondContact O-CB 3.41Å; Q424-Q427 PolarHBondContact O-N 2.84Å; Q425-Q427 PolarHBondContact O-N 2.99Å
428Q43.1Very low45.2Very low145 Ų145136.2 Ų136.268%0.67869%0.688SS**Hα-helixtrans-90.4-34.2179.9-74.5-172.9-13.600114.1Q425 Q426 S430 Q431Q425-Q428 PolarHBondContact O-N 2.97Å; Q426-Q428 VanDerWaalsContact C-N 3.29Å; Q426-Q428 PolarHBondContact O-N 2.75Å; Q428-S430 PolarHBondContact O-N 3.34Å; Q428-Q431 PolarHBondContact O-N 2.83Å
429Q39.3Very low45Very low160 Ų160135.7 Ų135.775%0.74870%0.696SS**Hα-helixtrans-71.4-28.7179.4-75.8-171.1-12.600113.2Q431 V432Q429-Q431 PolarHBondContact O-N 3.5Å; Q429-V432 PolarHBondContact O-N 2.93Å; Q429-V432 VanDerWaalsContact O-N 3.17Å
430S41.9Very low44.4Very low90 Ų90137.1 Ų137.163%0.62970%0.701SS**THydrogen-bonded Turntrans-68-11.8175.3-56.90000114.5Q428 V432 A433Q428-S430 PolarHBondContact O-N 3.34Å; S430-V432 VanDerWaalsContact C-N 3.28Å; S430-A433 PolarHBondContact O-N 2.84Å
431Q42.8Very low44.1Very low160 Ų160137.3 Ų137.375%0.74870%0.701SS**THydrogen-bonded Turntrans-78.4-10172.8-71.7-167.6-1200113.6Q428 Q429 A433Q428-Q431 PolarHBondContact O-N 2.83Å; Q429-Q431 PolarHBondContact O-N 3.5Å; Q431-A433 PolarHBondContact O-N 3.15Å; Q431-A433 VanDerWaalsContact O-N 3.1Å
432V36.8Very low43.5Very low119 Ų119137 Ų13772%0.72170%0.699SS**  trans-8336165.7-157.40000111Q429 S430 Q434Q429-V432 PolarHBondContact O-N 2.93Å; Q429-V432 VanDerWaalsContact O-N 3.17Å; S430-V432 VanDerWaalsContact C-N 3.28Å; V432-Q434 PolarHBondContact O-N 3.25Å; V432-Q434 VanDerWaalsContact O-N 3.07Å
433A43.3Very low43.5Very low92 Ų92138.4 Ų138.476%0.7670%0.702SS**  trans-74.929162.500000112.2S430 Q431S430-A433 PolarHBondContact O-N 2.84Å; Q431-A433 PolarHBondContact O-N 3.15Å; Q431-A433 VanDerWaalsContact O-N 3.1Å
434Q47.2Very low43.4Very low153 Ų153138.5 Ų138.572%0.71570%0.703SS**  trans-105146.1172.2-66.3-171.9-6.400109.1V432V432-Q434 PolarHBondContact O-N 3.25Å; V432-Q434 VanDerWaalsContact O-N 3.07Å
435Q38.8Very low43.3Very low192 Ų192139.2 Ų139.290%0.89770%0.704SS**SBendtrans73.820.9-179.7-47.1-173.33500117.6
436Q42.9Very low43.6Very low206 Ų206138.6 Ų138.696%0.96370%0.703SS**  trans-103.370.1155.2-72.5-154.3-7.400112.1
437G41.9Very low43.6Very low51 Ų51138.9 Ų138.953%0.52670%0.704SS.*SBendtrans-155.8138.8165.400000108.3
438F42.9Very low43.7Very low155 Ų155138 Ų13868%0.6870%0.7SS**  trans64101.1-168.8-55.8-89.1000115Q441F438-Q441 HydrophobicContact CD1-CB 4.16Å; F438-Q441 HydrophobicContact CE1-CB 4.28Å
439P42.9Very low43.9Very low121 Ų121137.3 Ų137.379%0.78670%0.697SS**SBend-138.325.512639.9-30.1000114.5
440Q39.6Very low44.5Very low164 Ų164135.1 Ų135.177%0.76669%0.686SS**SBendtrans-116.5-34.8179.5-155167.618.300114.7
441Q40.1Very low44.5Very low131 Ų131136.5 Ų136.561%0.61268%0.684SS**Hα-helixtrans-76.7-26.5-177.3-151.6170.123.300113.5F438 F445F438-Q441 HydrophobicContact CD1-CB 4.16Å; F438-Q441 HydrophobicContact CE1-CB 4.28Å; Q441-F445 PolarHBondContact O-N 2.98Å
442Q40.1Very low44.8Very low142 Ų142135.3 Ų135.366%0.66468%0.679SS**Hα-helixtrans-75.5-32.6-177.6-161173.429.600112.9F445 M446Q442-F445 PolarHBondContact O-N 2.77Å; Q442-M446 PolarHBondContact O-N 2.81Å
443Q48.1Very low45.2Very low148 Ų148136.3 Ų136.369%0.69268%0.676SS**Hα-helixtrans-67-37.7178.4-164.1173.422.800111.7Q447Q443-Q447 PolarHBondContact O-N 2.83Å
444Q49.5Very low45.3Very low137 Ų137139.5 Ų139.564%0.6468%0.675SS**Hα-helixtrans-69.6-36.9177.9-163.3171.812.900112.3Q448Q444-Q448 WeakPolarHBondContact O-CB 3.22Å; Q444-Q448 PolarHBondContact O-N 2.91Å; Q444-Q448 VanDerWaalsContact O-N 3.09Å
445F46.4Very low45.3Very low144 Ų144138.3 Ų138.363%0.63267%0.669SS**Hα-helixtrans-68.4-40178.8-136.2-91.2000112.4Q441 Q442 Q448 Q449Q441-F445 PolarHBondContact O-N 2.98Å; Q442-F445 PolarHBondContact O-N 2.77Å; F445-Q448 PolarHBondContact O-N 2.99Å; F445-Q449 PolarHBondContact O-N 2.83Å; F445-Q449 VanDerWaalsContact O-N 3.11Å
446M49.5Very low45.3Very low123 Ų123136.4 Ų136.461%0.60666%0.662SS**Hα-helixtrans-65-41.6177.8-164.2-176.7-61.700112Q442 Q449 Q450Q442-M446 PolarHBondContact O-N 2.81Å; M446-Q449 PolarHBondContact O-N 2.96Å; M446-Q450 PolarHBondContact O-N 3.15Å
447Q50.7Low45.5Very low141 Ų141134.8 Ų134.866%0.65965%0.652SS**Hα-helixtrans-70.2-34.5178.5-169164.181.700112.6Q443 Q450 M451Q443-Q447 PolarHBondContact O-N 2.83Å; Q447-Q450 PolarHBondContact O-N 2.92Å; Q447-M451 PolarHBondContact O-N 3.01Å
448Q49.1Very low45.2Very low125 Ų125137 Ų13758%0.58466%0.66SS**Hα-helixtrans-69-33.5174.8-168.4167.495.400112.5Q444 F445 M451 H452Q444-Q448 WeakPolarHBondContact O-CB 3.22Å; Q444-Q448 PolarHBondContact O-N 2.91Å; Q444-Q448 VanDerWaalsContact O-N 3.09Å; F445-Q448 PolarHBondContact O-N 2.99Å; Q448-M451 PolarHBondContact O-N 3.09Å; Q448-H452 PolarHBondContact O-N 3.11Å
449Q47.3Very low45.2Very low129 Ų129137.9 Ų137.960%0.60367%0.666SS**Hα-helixtrans-69.3-34.6176.3-168.4170.292.500112.9F445 M446 H452 Q453F445-Q449 PolarHBondContact O-N 2.83Å; F445-Q449 VanDerWaalsContact O-N 3.11Å; M446-Q449 PolarHBondContact O-N 2.96Å; Q449-H452 PolarHBondContact O-N 3.2Å; Q449-Q453 PolarHBondContact O-N 3.37Å
450Q51.6Low45.2Very low114 Ų114141.2 Ų141.253%0.53367%0.671SS.*Hα-helixtrans-62.4-43.3173.7-85.6-174.3-31.800112.7M446 Q447 H452 Q453 Q454M446-Q450 PolarHBondContact O-N 3.15Å; Q447-Q450 PolarHBondContact O-N 2.92Å; Q450-H452 PolarHBondContact O-N 3.16Å; Q450-Q453 PolarHBondContact O-N 3.39Å; Q450-Q454 PolarHBondContact O-N 3.07Å
451M43.9Very low45.6Very low119 Ų119142 Ų14259%0.58668%0.675SS**Hα-helixtrans-59-47.1176.3-87.8-75.7-73.600112.3Q447 Q448 Q453 Q454 Q455Q447-M451 PolarHBondContact O-N 3.01Å; Q448-M451 PolarHBondContact O-N 3.09Å; M451-Q453 VanDerWaalsContact C-N 3.35Å; M451-Q453 PolarHBondContact O-N 3.47Å; M451-Q454 PolarHBondContact O-N 3.22Å; M451-Q455 PolarHBondContact O-N 3.47Å
452H47.7Very low45.4Very low136 Ų136143.9 Ų143.963%0.6369%0.688SS**Hα-helixtrans-67-33.6-176.7-118.778.9000113.2Q448 Q449 Q450Q448-H452 PolarHBondContact O-N 3.11Å; Q449-H452 PolarHBondContact O-N 3.2Å; Q450-H452 PolarHBondContact O-N 3.16Å
453Q44.7Very low45.1Very low140 Ų140148.9 Ų148.965%0.65470%0.701SS**Hα-helixtrans-74.8-27.5178.1-163.3164.2101.800112.7Q449 Q450 M451Q449-Q453 PolarHBondContact O-N 3.37Å; Q450-Q453 PolarHBondContact O-N 3.39Å; M451-Q453 VanDerWaalsContact C-N 3.35Å; M451-Q453 PolarHBondContact O-N 3.47Å
454Q45.9Very low44.9Very low159 Ų159147.3 Ų147.374%0.74370%0.703SS**Hα-helixtrans-79.4-26.9178.1-161.5162.788.900113Q450 M451Q450-Q454 PolarHBondContact O-N 3.07Å; M451-Q454 PolarHBondContact O-N 3.22Å
455Q46.8Very low44.1Very low127 Ų127149 Ų14959%0.59371%0.711SS**Hα-helixtrans-75.4-19.1175.2-90-175.7-39.600115M451 F457 S458M451-Q455 PolarHBondContact O-N 3.47Å; Q455-F457 VanDerWaalsContact C-N 3.33Å; Q455-F457 PolarHBondContact O-N 3.15Å; Q455-S458 PolarHBondContact O-OG 3.37Å
456M39.3Very low43.8Very low152 Ų152149.9 Ų149.975%0.74972%0.717SS**THydrogen-bonded Turntrans-73.8-19.9177.9-92.7-76.1-75.400114.1
457F46.5Very low43.3Very low172 Ų172150.9 Ų150.975%0.75472%0.724SS**SBendtrans-92.1-12.5-174.5-101.7-85.2000115.2Q455Q455-F457 VanDerWaalsContact C-N 3.33Å; Q455-F457 PolarHBondContact O-N 3.15Å
458S37.6Very low43Very low98 Ų98151.5 Ų151.569%0.68573%0.731SS**SBendtrans-87.4-4.1-178.954.70000114.5Q455Q455-S458 PolarHBondContact O-OG 3.37Å
459Q42.4Very low43Very low174 Ų174156.3 Ų156.381%0.81374%0.744SS**SBendtrans-119.331.6-171.5-134.5-116.7115.100114.4
460Q42Very low42.9Very low190 Ų190156.5 Ų156.589%0.88876%0.757SS**  trans-13543.2170.4-154.1169105.800113.2
461Q47.7Very low42.9Very low182 Ų182153.9 Ų153.985%0.8576%0.76SS**  trans-129.763.4174.9-163.3-179.821.900111.6
462L37.2Very low43.2Very low169 Ų169154.5 Ų154.589%0.88577%0.765SS**  trans-162.773.9170-115169.9000114.3
463R32.7Very low43.7Very low247 Ų247155.6 Ų155.693%0.93277%0.77SS**  trans-161123.3147.8-121.3176.4-176.3-178.40.6112.1
464P44.8Very low44.4Very low115 Ų115156.4 Ų156.475%0.74777%0.774SS**  trans-100.5134.1-179.935.2-30.4000112.8
465Q33.4Very low45Very low174 Ų174154.1 Ų154.181%0.81377%0.766SS**  trans-161.6111.2148.9-119.3167.4-7.700114.4
466Q38.1Very low45.7Very low161 Ų161155.2 Ų155.275%0.75277%0.771SS**  trans50.5118.9132.6-70.1175.8-30.300123.2
467L40Very low46.9Very low144 Ų144154.3 Ų154.375%0.75477%0.765SS**  trans77.4116.6137.7-8475.9000122.5
468L44.9Very low47.9Very low154 Ų154151.8 Ų151.881%0.80676%0.756SS**  trans45.2106.1147.4-73.286.8000121
469R48.7Very low49.4Very low227 Ų227153.3 Ų153.386%0.85775%0.751SS**  -155.2125126.7-127.7175.3176.2-167-2.8111.8G471R469-G471 PolarHBondContact O-N 2.94Å
470P46.1Very low50.7Low133 Ų133150.8 Ų150.886%0.86474%0.739SS**THydrogen-bonded Turntrans-72.9115.2175.329.1-32.3000110
471G49.9Very low52.1Low58 Ų58148 Ų14860%0.59873%0.725SS**THydrogen-bonded Turntrans164-34178.400000114.4R469 Q473R469-G471 PolarHBondContact O-N 2.94Å; G471-Q473 VanDerWaalsContact C-N 3.31Å; G471-Q473 PolarHBondContact O-N 2.99Å
472L51.5Low53.3Low132 Ų132145.4 Ų145.469%0.69171%0.714SS**Hα-helixtrans-70.6-21.9-178.9-80.9165.8000114.5Q474 L475 Q476L472-Q474 PolarHBondContact O-N 3.45Å; L472-L475 PolarHBondContact O-N 3Å; L472-Q476 WeakPolarHBondContact O-CB 3.5Å; L472-Q476 PolarHBondContact O-N 3.31Å
473Q56.8Low55Low159 Ų159141.7 Ų141.774%0.74369%0.691SS**Hα-helixtrans-66-37.1-173.4-164.5171.216.700112.9G471 Q477G471-Q473 VanDerWaalsContact C-N 3.31Å; G471-Q473 PolarHBondContact O-N 2.99Å; Q473-Q477 WeakPolarHBondContact O-CB 3.29Å; Q473-Q477 PolarHBondContact O-N 3.48Å
474Q60.2Low57.1Low157 Ų157137.7 Ų137.773%0.73468%0.677SS**Hα-helixtrans-70.4-41.3178.5-164.2172.525.300111.4L472 Q477 Q478L472-Q474 PolarHBondContact O-N 3.45Å; Q474-Q477 PolarHBondContact O-N 3.03Å; Q474-Q478 WeakPolarHBondContact O-CB 3.35Å; Q474-Q478 PolarHBondContact O-N 3.26Å
475L58.5Low58.6Low111 Ų111137.9 Ų137.958%0.58167%0.671SS**Hα-helixtrans-65.1-42.2176.9-164.275.4000111.7L472 Q478 F479L472-L475 PolarHBondContact O-N 3Å; L475-Q478 PolarHBondContact O-N 2.99Å; L475-F479 WeakPolarHBondContact O-CB 3.5Å; L475-F479 PolarHBondContact O-N 2.91Å
476Q61.9Low60.6Low150 Ų150136 Ų13670%0.70166%0.662SS**Hα-helixtrans-64.4-40.6176.1-175.5171.766.400112L472 F479 Q480L472-Q476 WeakPolarHBondContact O-CB 3.5Å; L472-Q476 PolarHBondContact O-N 3.31Å; Q476-F479 PolarHBondContact O-N 3.14Å; Q476-Q480 WeakPolarHBondContact O-CB 3.37Å; Q476-Q480 PolarHBondContact O-N 3.41Å
477Q64.9Low62.3Low133 Ų133134.7 Ų134.762%0.62166%0.657SS**Hα-helixtrans-66.3-40.8176.8-166.1170.877.100111.6Q473 Q474 Q480 Q481Q473-Q477 WeakPolarHBondContact O-CB 3.29Å; Q473-Q477 PolarHBondContact O-N 3.48Å; Q474-Q477 PolarHBondContact O-N 3.03Å; Q477-Q480 PolarHBondContact O-N 3.22Å; Q477-Q481 WeakPolarHBondContact O-CB 3.45Å; Q477-Q481 PolarHBondContact O-N 3.28Å
478Q66.8Low64Low120 Ų120132.5 Ų132.556%0.56165%0.646SS**Hα-helixtrans-63.2-43.5174.7-170.4175.17.300112.1Q474 L475 Q480 Q481 Q482Q474-Q478 WeakPolarHBondContact O-CB 3.35Å; Q474-Q478 PolarHBondContact O-N 3.26Å; L475-Q478 PolarHBondContact O-N 2.99Å; Q478-Q480 PolarHBondContact O-N 3.24Å; Q478-Q481 WeakPolarHBondContact O-CB 3.41Å; Q478-Q481 PolarHBondContact O-N 3.1Å; Q478-Q482 PolarHBondContact O-N 3.28Å
479F68.2Low65.6Low130 Ų130131.4 Ų131.457%0.5764%0.636SS**Hα-helixtrans-63.8-40.2177.1-153-90.6000112L475 Q476 Q481 Q482 Q483L475-F479 WeakPolarHBondContact O-CB 3.5Å; L475-F479 PolarHBondContact O-N 2.91Å; Q476-F479 PolarHBondContact O-N 3.14Å; F479-Q481 VanDerWaalsContact C-N 3.34Å; F479-Q482 PolarHBondContact O-N 3.29Å; F479-Q483 PolarHBondContact O-N 2.97Å
480Q69.6Low66.7Low120 Ų120126.2 Ų126.256%0.56162%0.622SS**Hα-helixtrans-68.1-32.5175.3-167.6179.470.900112.4Q476 Q477 Q478 R484Q476-Q480 WeakPolarHBondContact O-CB 3.37Å; Q476-Q480 PolarHBondContact O-N 3.41Å; Q477-Q480 PolarHBondContact O-N 3.22Å; Q478-Q480 PolarHBondContact O-N 3.24Å; Q480-R484 WeakPolarHBondContact O-CB 3.27Å; Q480-R484 PolarHBondContact O-N 3Å; Q480-R484 VanDerWaalsContact O-N 3.12Å
481Q72.5Confident68.1Low131 Ų131125.1 Ų125.161%0.61261%0.606SS**Hα-helixtrans-69.3-40.2173.3-146.4174.637.500111.3Q477 Q478 F479 R484 L485Q477-Q481 WeakPolarHBondContact O-CB 3.45Å; Q477-Q481 PolarHBondContact O-N 3.28Å; Q478-Q481 WeakPolarHBondContact O-CB 3.41Å; Q478-Q481 PolarHBondContact O-N 3.1Å; F479-Q481 VanDerWaalsContact C-N 3.34Å; Q481-R484 PolarHBondContact O-N 3.06Å; Q481-L485 PolarHBondContact O-N 3.33Å
482Q73.6Confident69.2Low129 Ų129128.7 Ų128.760%0.60361%0.606SS**Hα-helixtrans-66.6-41.8177.1-162.3170.928.100112.2Q478 F479 R484 L485 Q486Q478-Q482 PolarHBondContact O-N 3.28Å; F479-Q482 PolarHBondContact O-N 3.29Å; Q482-R484 VanDerWaalsContact C-N 3.34Å; Q482-R484 PolarHBondContact O-N 3.48Å; Q482-L485 PolarHBondContact O-N 2.85Å; Q482-Q486 PolarHBondContact O-N 3.07Å
483Q71.9Confident70.2Confident90 Ų90127.4 Ų127.442%0.42160%0.6SS.*Hα-helixtrans-59.7-42170.2-79.9-171.3-2000112.4F479 L485 Q486 M487F479-Q483 PolarHBondContact O-N 2.97Å; Q483-L485 PolarHBondContact O-N 3.45Å; Q483-Q486 PolarHBondContact O-N 3.28Å; Q483-M487 WeakPolarHBondContact O-CB 3.32Å; Q483-M487 PolarHBondContact O-N 2.88Å
484R76.2Confident70.8Confident164 Ų164124.7 Ų124.762%0.61959%0.588SS**Hα-helixtrans-62.8-41.6178.7-166.4-174.7-61-1362.7111.9Q480 Q481 Q482 L488Q480-R484 WeakPolarHBondContact O-CB 3.27Å; Q480-R484 PolarHBondContact O-N 3Å; Q480-R484 VanDerWaalsContact O-N 3.12Å; Q481-R484 PolarHBondContact O-N 3.06Å; Q482-R484 VanDerWaalsContact C-N 3.34Å; Q482-R484 PolarHBondContact O-N 3.48Å; R484-L488 WeakPolarHBondContact O-CB 3.39Å; R484-L488 PolarHBondContact O-N 2.82Å
485L75.9Confident71.4Confident119 Ų119123 Ų12362%0.62358%0.58SS**Hα-helixtrans-63.3-44.4174.4-77.5164.7000112.1Q481 Q482 Q483 M487 L488 Q489Q481-L485 PolarHBondContact O-N 3.33Å; Q482-L485 PolarHBondContact O-N 2.85Å; Q483-L485 PolarHBondContact O-N 3.45Å; L485-M487 PolarHBondContact O-N 3.09Å; L485-L488 PolarHBondContact O-N 3.46Å; L485-Q489 PolarHBondContact O-N 3.47Å
486Q75.9Confident72.1Confident134 Ų134123.8 Ų123.863%0.62658%0.58SS**Hα-helixtrans-64.7-38.9179-167.4172.144.600112.2Q482 Q483 Q489 Q490Q482-Q486 PolarHBondContact O-N 3.07Å; Q483-Q486 PolarHBondContact O-N 3.28Å; Q486-Q489 PolarHBondContact O-N 3.46Å; Q486-Q490 WeakPolarHBondContact O-CB 3.44Å; Q486-Q490 PolarHBondContact O-N 3.45Å
487M73.4Confident72.4Confident133 Ų133123.9 Ų123.966%0.65558%0.579SS**Hα-helixtrans-66.6-40.9175.2-165-166.8-61.500112.1Q483 L485 Q490 Q491Q483-M487 WeakPolarHBondContact O-CB 3.32Å; Q483-M487 PolarHBondContact O-N 2.88Å; L485-M487 PolarHBondContact O-N 3.09Å; M487-Q490 PolarHBondContact O-N 2.92Å; M487-Q491 WeakPolarHBondContact O-CB 3.21Å; M487-Q491 PolarHBondContact O-N 3.01Å
488L77.1Confident72.8Confident99 Ų99123.6 Ų123.652%0.51858%0.577SS.*Hα-helixtrans-61.1-45.9173.7-99.6155.5000112R484 L485 Q490 Q491 Q492R484-L488 WeakPolarHBondContact O-CB 3.39Å; R484-L488 PolarHBondContact O-N 2.82Å; L485-L488 PolarHBondContact O-N 3.46Å; L488-Q490 VanDerWaalsContact C-N 3.35Å; L488-Q490 PolarHBondContact O-N 3.49Å; L488-Q491 PolarHBondContact O-N 2.96Å; L488-Q492 WeakPolarHBondContact O-CB 3.45Å; L488-Q492 PolarHBondContact O-N 3.49Å
489Q77.3Confident73Confident130 Ų130124.8 Ų124.861%0.60758%0.583SS**Hα-helixtrans-63-40177.1-175.717377.700112L485 Q486 Q492 N493L485-Q489 PolarHBondContact O-N 3.47Å; Q486-Q489 PolarHBondContact O-N 3.46Å; Q489-Q492 PolarHBondContact O-N 2.88Å; Q489-N493 PolarHBondContact O-N 3.41Å
490Q73.1Confident73.2Confident118 Ų118124.7 Ų124.755%0.55158%0.584SS**Hα-helixtrans-66.8-38.6175.9-169.5177.483.800112.2Q486 M487 L488 Q494Q486-Q490 WeakPolarHBondContact O-CB 3.44Å; Q486-Q490 PolarHBondContact O-N 3.45Å; M487-Q490 PolarHBondContact O-N 2.92Å; L488-Q490 VanDerWaalsContact C-N 3.35Å; L488-Q490 PolarHBondContact O-N 3.49Å; Q490-Q494 PolarHBondContact O-N 3.2Å; Q490-Q494 VanDerWaalsContact O-N 3.08Å
491Q74.1Confident73.4Confident111 Ų111123.8 Ų123.852%0.51958%0.58SS.*Hα-helixtrans-65.4-40.9174.1-175.5175.499.100111.9M487 L488 Q494 Q495M487-Q491 WeakPolarHBondContact O-CB 3.21Å; M487-Q491 PolarHBondContact O-N 3.01Å; L488-Q491 PolarHBondContact O-N 2.96Å; Q491-Q494 PolarHBondContact O-N 3.35Å; Q491-Q495 PolarHBondContact O-N 3.07Å
492Q73.8Confident73.3Confident132 Ų132121.8 Ų121.862%0.61757%0.573SS**Hα-helixtrans-63.8-43.8177.2-166172.127.600111.6L488 Q489 Q494 Q495 Q496L488-Q492 WeakPolarHBondContact O-CB 3.45Å; L488-Q492 PolarHBondContact O-N 3.49Å; Q489-Q492 PolarHBondContact O-N 2.88Å; Q492-Q494 PolarHBondContact O-N 3.04Å; Q492-Q495 PolarHBondContact O-N 3.09Å; Q492-Q496 WeakPolarHBondContact O-CB 3.44Å; Q492-Q496 PolarHBondContact O-N 3.17Å
493N72Confident73.3Confident105 Ų105121.8 Ų121.856%0.56157%0.573SS**Hα-helixtrans-60.1-41172.8-94.73.9000112.4Q489 Q496 F497Q489-N493 PolarHBondContact O-N 3.41Å; N493-Q496 PolarHBondContact O-N 3.12Å; N493-F497 WeakPolarHBondContact O-CB 3.23Å; N493-F497 PolarHBondContact O-N 3.23Å
494Q70.3Confident73.4Confident102 Ų102123.2 Ų123.248%0.47758%0.58SS.*Hα-helixtrans-63.9-42175.8-76.8-171.611.300112.4Q490 Q491 Q492 F497 H498Q490-Q494 PolarHBondContact O-N 3.2Å; Q490-Q494 VanDerWaalsContact O-N 3.08Å; Q491-Q494 PolarHBondContact O-N 3.35Å; Q492-Q494 PolarHBondContact O-N 3.04Å; Q494-F497 PolarHBondContact O-N 2.6Å; Q494-H498 VanDerWaalsContact O-CB 3.3Å; Q494-H498 WeakPolarHBondContact O-CB 3.5Å; Q494-H498 PolarHBondContact O-N 3.49Å
495Q72.7Confident73.2Confident123 Ų123120.2 Ų120.258%0.57557%0.572SS**Hα-helixtrans-63.3-42.3175.8-71.8-178.4600111.8Q491 Q492 H498 Q499Q491-Q495 PolarHBondContact O-N 3.07Å; Q492-Q495 PolarHBondContact O-N 3.09Å; Q495-H498 PolarHBondContact O-N 3.11Å; Q495-Q499 WeakPolarHBondContact O-CB 3.41Å; Q495-Q499 PolarHBondContact O-N 3.09Å
496Q73.6Confident73Confident126 Ų126120.4 Ų120.459%0.58957%0.57SS**Hα-helixtrans-65.2-43.6178.6-168.1170.2200111.9Q492 N493 Q499 Q500Q492-Q496 WeakPolarHBondContact O-CB 3.44Å; Q492-Q496 PolarHBondContact O-N 3.17Å; N493-Q496 PolarHBondContact O-N 3.12Å; Q496-Q499 PolarHBondContact O-N 2.84Å; Q496-Q500 WeakPolarHBondContact O-CB 3.45Å; Q496-Q500 PolarHBondContact O-N 3.36Å
497F68.3Low72.9Confident153 Ų153120.1 Ų120.167%0.67157%0.569SS**Hα-helixtrans-65.7-39.6176.5-150.3-83.5000112N493 Q494 Q500 H501N493-F497 WeakPolarHBondContact O-CB 3.23Å; N493-F497 PolarHBondContact O-N 3.23Å; Q494-F497 PolarHBondContact O-N 2.6Å; F497-Q500 PolarHBondContact O-N 3.1Å; F497-H501 WeakPolarHBondContact O-CB 3.49Å; F497-H501 PolarHBondContact O-N 3.18Å
498H71.9Confident72.8Confident126 Ų126120.2 Ų120.258%0.58357%0.567SS**Hα-helixtrans-64.3-43.7175.4-173.179.3000111.9Q494 Q495 H501 L502Q494-H498 VanDerWaalsContact O-CB 3.3Å; Q494-H498 WeakPolarHBondContact O-CB 3.5Å; Q494-H498 PolarHBondContact O-N 3.49Å; Q495-H498 PolarHBondContact O-N 3.11Å; H498-H501 PolarHBondContact O-N 3.35Å; H498-L502 WeakPolarHBondContact O-CB 3.48Å; H498-L502 PolarHBondContact O-N 3.31Å
499Q72.6Confident72.6Confident146 Ų146121.7 Ų121.768%0.68257%0.572SS**Hα-helixtrans-63.6-41.3177.2-170.9174.910200112Q495 Q496 L502 Q503Q495-Q499 WeakPolarHBondContact O-CB 3.41Å; Q495-Q499 PolarHBondContact O-N 3.09Å; Q496-Q499 PolarHBondContact O-N 2.84Å; Q499-L502 PolarHBondContact O-N 3.14Å; Q499-Q503 PolarHBondContact O-N 3.02Å
500Q71Confident72.2Confident128 Ų128121.8 Ų121.860%0.59857%0.572SS**Hα-helixtrans-65.4-42.1177.2-165.7172.446.800112Q496 F497 Q503 Q504Q496-Q500 WeakPolarHBondContact O-CB 3.45Å; Q496-Q500 PolarHBondContact O-N 3.36Å; F497-Q500 PolarHBondContact O-N 3.1Å; Q500-Q503 PolarHBondContact O-N 3.22Å; Q500-Q504 PolarHBondContact O-N 3.03Å
501H74.6Confident72.2Confident101 Ų101122.3 Ų122.347%0.46857%0.574SS.*Hα-helixtrans-62.3-42.5173-178.3-71.8000112F497 H498 Q503 Q504 Q505F497-H501 WeakPolarHBondContact O-CB 3.49Å; F497-H501 PolarHBondContact O-N 3.18Å; H498-H501 PolarHBondContact O-N 3.35Å; H501-Q503 VanDerWaalsContact C-N 3.33Å; H501-Q503 PolarHBondContact O-N 3.27Å; H501-Q504 PolarHBondContact O-N 2.98Å; H501-Q505 WeakPolarHBondContact O-CB 3.43Å; H501-Q505 PolarHBondContact O-N 2.77Å
502L69.6Low72.2Confident89 Ų89122.8 Ų122.847%0.46658%0.575SS.*Hα-helixtrans-63.4-39.6179.3-151.975.1000111.7H498 Q499 Q506H498-L502 WeakPolarHBondContact O-CB 3.48Å; H498-L502 PolarHBondContact O-N 3.31Å; Q499-L502 PolarHBondContact O-N 3.14Å; L502-Q506 WeakPolarHBondContact O-CB 3.41Å; L502-Q506 PolarHBondContact O-N 3.33Å
503Q74.6Confident72.1Confident129 Ų129121.1 Ų121.160%0.60357%0.57SS**Hα-helixtrans-67.6-41.1176.1-169.5169.356.300112.3Q499 Q500 H501 Q506 Q507Q499-Q503 PolarHBondContact O-N 3.02Å; Q500-Q503 PolarHBondContact O-N 3.22Å; H501-Q503 VanDerWaalsContact C-N 3.33Å; H501-Q503 PolarHBondContact O-N 3.27Å; Q503-Q506 PolarHBondContact O-N 3.21Å; Q503-Q507 PolarHBondContact O-N 2.86Å
504Q74Confident72.1Confident120 Ų120122.7 Ų122.756%0.56157%0.574SS**Hα-helixtrans-65.1-40.9175.9-172.5175.180.900112.2Q500 H501 Q506 Q507 Q508Q500-Q504 PolarHBondContact O-N 3.03Å; H501-Q504 PolarHBondContact O-N 2.98Å; Q504-Q506 VanDerWaalsContact C-N 3.33Å; Q504-Q506 PolarHBondContact O-N 3.09Å; Q504-Q507 PolarHBondContact O-N 3.18Å; Q504-Q508 PolarHBondContact O-N 3.43Å
505Q71.4Confident72.2Confident100 Ų100122.9 Ų122.947%0.46758%0.575SS.*Hα-helixtrans-61.7-40.4173.6-177.7174.486.400111.8H501 Q508 Q509H501-Q505 WeakPolarHBondContact O-CB 3.43Å; H501-Q505 PolarHBondContact O-N 2.77Å; Q505-Q508 PolarHBondContact O-N 2.8Å; Q505-Q509 PolarHBondContact O-N 3.03Å
506Q72.5Confident72.1Confident124 Ų124122.2 Ų122.258%0.57957%0.572SS**Hα-helixtrans-66.9-37.4178.1-165.1174.3100.200112.4L502 Q503 Q504 Q509 Q510L502-Q506 WeakPolarHBondContact O-CB 3.41Å; L502-Q506 PolarHBondContact O-N 3.33Å; Q503-Q506 PolarHBondContact O-N 3.21Å; Q504-Q506 VanDerWaalsContact C-N 3.33Å; Q504-Q506 PolarHBondContact O-N 3.09Å; Q506-Q509 PolarHBondContact O-N 2.98Å; Q506-Q510 PolarHBondContact O-N 3.23Å; Q506-Q510 VanDerWaalsContact O-N 3.09Å
507Q72Confident72Confident128 Ų128122.6 Ų122.660%0.59857%0.573SS**Hα-helixtrans-64.1-45172.8-75.7-176.7-15.600112.5Q503 Q504 Q509 Q510 H511Q503-Q507 PolarHBondContact O-N 2.86Å; Q504-Q507 PolarHBondContact O-N 3.18Å; Q507-Q509 VanDerWaalsContact C-N 3.26Å; Q507-Q509 PolarHBondContact O-N 3.01Å; Q507-Q510 PolarHBondContact O-N 3.3Å; Q507-H511 PolarHBondContact O-N 3.06Å
508Q72.5Confident72.1Confident134 Ų134120.8 Ų120.863%0.62657%0.567SS**Hα-helixtrans-59.2-39.2175.2-72.7-177.2000111.7Q504 Q505 H511 F512Q504-Q508 PolarHBondContact O-N 3.43Å; Q505-Q508 PolarHBondContact O-N 2.8Å; Q508-H511 PolarHBondContact O-N 3.37Å; Q508-F512 PolarHBondContact O-N 2.67Å
509Q71.9Confident72Confident131 Ų131120.4 Ų120.461%0.61257%0.568SS**Hα-helixtrans-68.3-38.3-180-154.2172.49300112.5Q505 Q506 Q507 L513Q505-Q509 PolarHBondContact O-N 3.03Å; Q506-Q509 PolarHBondContact O-N 2.98Å; Q507-Q509 VanDerWaalsContact C-N 3.26Å; Q507-Q509 PolarHBondContact O-N 3.01Å; Q509-L513 PolarHBondContact O-N 3.28Å; Q509-L513 VanDerWaalsContact O-N 3.15Å
510Q70.6Confident72Confident132 Ų132119.1 Ų119.162%0.61756%0.562SS**Hα-helixtrans-64.4-44.1170.7-72.9-172.71.800112.2Q506 Q507 F512 L513 Q514Q506-Q510 PolarHBondContact O-N 3.23Å; Q506-Q510 VanDerWaalsContact O-N 3.09Å; Q507-Q510 PolarHBondContact O-N 3.3Å; Q510-F512 VanDerWaalsContact C-N 3.29Å; Q510-F512 PolarHBondContact O-N 3.16Å; Q510-L513 PolarHBondContact O-N 3.07Å; Q510-Q514 PolarHBondContact O-N 3.13Å
511H72.1Confident72Confident128 Ų128119.1 Ų119.159%0.59356%0.562SS**Hα-helixtrans-64.2-34.8-179.7-162-41.2000112.1Q507 Q508 Q515Q507-H511 PolarHBondContact O-N 3.06Å; Q508-H511 PolarHBondContact O-N 3.37Å; H511-Q515 WeakPolarHBondContact O-CB 3.45Å; H511-Q515 PolarHBondContact O-N 2.95Å
512F74.3Confident71.8Confident122 Ų122119.7 Ų119.754%0.53557%0.567SS.*Hα-helixtrans-67.3-44.3173-174.8-102000112.3Q508 Q510 Q514 Q515 Q516Q508-F512 PolarHBondContact O-N 2.67Å; Q510-F512 VanDerWaalsContact C-N 3.29Å; Q510-F512 PolarHBondContact O-N 3.16Å; F512-Q514 VanDerWaalsContact C-N 3.33Å; F512-Q514 PolarHBondContact O-N 3.18Å; F512-Q515 PolarHBondContact O-N 2.83Å; F512-Q516 PolarHBondContact O-N 3.17Å
513L71Confident71.8Confident97 Ų97122.3 Ų122.351%0.50858%0.576SS.*Hα-helixtrans-59.3-43.4175.3-113.571000112.1Q509 Q510 Q516 Q517Q509-L513 PolarHBondContact O-N 3.28Å; Q509-L513 VanDerWaalsContact O-N 3.15Å; Q510-L513 PolarHBondContact O-N 3.07Å; L513-Q516 PolarHBondContact O-N 3.39Å; L513-Q517 PolarHBondContact O-N 3.37Å
514Q73.1Confident71.5Confident138 Ų138123.5 Ų123.565%0.64558%0.58SS**Hα-helixtrans-67.8-39-179.9-167.3171.178.800112Q510 F512 Q517 H518Q510-Q514 PolarHBondContact O-N 3.13Å; F512-Q514 VanDerWaalsContact C-N 3.33Å; F512-Q514 PolarHBondContact O-N 3.18Å; Q514-Q517 PolarHBondContact O-N 3.34Å; Q514-H518 PolarHBondContact O-N 3.16Å
515Q72.4Confident71Confident105 Ų105123.7 Ų123.749%0.49158%0.581SS.*Hα-helixtrans-62.8-41.4172.3-174.1-17989.700111.8H511 F512 H518 L519H511-Q515 WeakPolarHBondContact O-CB 3.45Å; H511-Q515 PolarHBondContact O-N 2.95Å; F512-Q515 PolarHBondContact O-N 2.83Å; Q515-H518 PolarHBondContact O-N 3.2Å; Q515-L519 HydrophobicContact CG-CD1 4.33Å; Q515-L519 PolarHBondContact O-N 2.76Å
516Q71.1Confident71Confident110 Ų110125 Ų12551%0.51459%0.586SS.*Hα-helixtrans-64.5-42.2177.6-171.8179.799.600112.2F512 L513 H518 L519 Q520F512-Q516 PolarHBondContact O-N 3.17Å; L513-Q516 PolarHBondContact O-N 3.39Å; Q516-H518 VanDerWaalsContact C-N 3.34Å; Q516-H518 PolarHBondContact O-N 3.45Å; Q516-L519 PolarHBondContact O-N 2.71Å; Q516-Q520 PolarHBondContact O-N 3.49Å; Q516-Q520 VanDerWaalsContact O-N 3.1Å
517Q70.8Confident70.6Confident134 Ų134124.1 Ų124.163%0.62659%0.585SS**Hα-helixtrans-61.1-41.9173.3-74.5-174.5-3.800111.8L513 Q514 Q520 Q521L513-Q517 PolarHBondContact O-N 3.37Å; Q514-Q517 PolarHBondContact O-N 3.34Å; Q517-Q520 PolarHBondContact O-N 3.49Å; Q517-Q521 WeakPolarHBondContact O-CB 3.28Å; Q517-Q521 PolarHBondContact O-N 3.34Å
518H70.4Confident70.6Confident115 Ų115124.4 Ų124.453%0.53259%0.586SS.*Hα-helixtrans-64-43.6179.2-167.768.2000112.5Q514 Q515 Q516 Q520 Q521 M522Q514-H518 PolarHBondContact O-N 3.16Å; Q515-H518 PolarHBondContact O-N 3.2Å; Q516-H518 VanDerWaalsContact C-N 3.34Å; Q516-H518 PolarHBondContact O-N 3.45Å; H518-Q520 VanDerWaalsContact C-N 3.34Å; H518-Q520 PolarHBondContact O-N 2.98Å; H518-Q521 PolarHBondContact O-N 2.98Å; H518-M522 PolarHBondContact O-N 3.04Å
519L69.1Low70.2Confident117 Ų117123.1 Ų123.161%0.61358%0.581SS**Hα-helixtrans-58.9-43.7172.9-101.774.1000112Q515 Q516 Q521 M522 Q523Q515-L519 HydrophobicContact CG-CD1 4.33Å; Q515-L519 PolarHBondContact O-N 2.76Å; Q516-L519 PolarHBondContact O-N 2.71Å; L519-Q521 VanDerWaalsContact C-N 3.32Å; L519-Q521 PolarHBondContact O-N 2.85Å; L519-M522 WeakPolarHBondContact O-CB 3.29Å; L519-M522 PolarHBondContact O-N 2.87Å; L519-Q523 WeakPolarHBondContact O-CB 3.27Å; L519-Q523 PolarHBondContact O-N 3.15Å
520Q72.1Confident69.9Low120 Ų120121.8 Ų121.856%0.56157%0.574SS**Hα-helixtrans-68.1-32-179.8-166.1175.796.500112.3Q516 Q517 H518 K524Q516-Q520 PolarHBondContact O-N 3.49Å; Q516-Q520 VanDerWaalsContact O-N 3.1Å; Q517-Q520 PolarHBondContact O-N 3.49Å; H518-Q520 VanDerWaalsContact C-N 3.34Å; H518-Q520 PolarHBondContact O-N 2.98Å; Q520-K524 PolarHBondContact O-N 3.48Å
521Q72.7Confident69.6Low127 Ų127119.8 Ų119.859%0.59357%0.571SS**Hα-helixtrans-71.3-42.8174.9-162.9171.129.800111.9Q517 H518 L519 Q523 K524 Q525Q517-Q521 WeakPolarHBondContact O-CB 3.28Å; Q517-Q521 PolarHBondContact O-N 3.34Å; H518-Q521 PolarHBondContact O-N 2.98Å; L519-Q521 VanDerWaalsContact C-N 3.32Å; L519-Q521 PolarHBondContact O-N 2.85Å; Q521-Q523 VanDerWaalsContact C-N 3.35Å; Q521-Q523 PolarHBondContact O-N 3.17Å; Q521-K524 PolarHBondContact O-N 3.37Å; Q521-Q525 PolarHBondContact O-N 2.93Å
522M69.7Low69Low113 Ų113118.9 Ų118.956%0.55757%0.57SS**Hα-helixtrans-56.3-46.1169.2-98.5-78.5-76.500111.9H518 L519 K524 Q525 H526H518-M522 PolarHBondContact O-N 3.04Å; L519-M522 WeakPolarHBondContact O-CB 3.29Å; L519-M522 PolarHBondContact O-N 2.87Å; M522-K524 VanDerWaalsContact C-N 3.34Å; M522-K524 PolarHBondContact O-N 3.31Å; M522-Q525 PolarHBondContact O-N 3.06Å; M522-H526 PolarHBondContact O-N 2.82Å
523Q69.3Low68.3Low144 Ų144118.9 Ų118.967%0.67357%0.572SS**Hα-helixtrans-64.1-37.8179.3-165.1173.849.400112.1L519 Q521 H526 L527L519-Q523 WeakPolarHBondContact O-CB 3.27Å; L519-Q523 PolarHBondContact O-N 3.15Å; Q521-Q523 VanDerWaalsContact C-N 3.35Å; Q521-Q523 PolarHBondContact O-N 3.17Å; Q523-H526 PolarHBondContact O-N 3.41Å; Q523-L527 WeakPolarHBondContact O-CB 3.45Å; Q523-L527 PolarHBondContact O-N 2.97Å
524K68.3Low67.7Low154 Ų154120 Ų12067%0.6757%0.574SS**Hα-helixtrans-62.5-44.7171.2-91.4-173.3172.5-178.80112.8Q520 Q521 M522 L527 Q528Q520-K524 PolarHBondContact O-N 3.48Å; Q521-K524 PolarHBondContact O-N 3.37Å; M522-K524 VanDerWaalsContact C-N 3.34Å; M522-K524 PolarHBondContact O-N 3.31Å; K524-L527 PolarHBondContact O-N 3.32Å; K524-Q528 WeakPolarHBondContact O-CB 3.46Å; K524-Q528 PolarHBondContact O-N 3.18Å
525Q64.8Low66.8Low125 Ų125120 Ų12058%0.58457%0.574SS**Hα-helixtrans-63.2-41.9177.3-78.1-173.4-3700112Q521 M522 Q528 Q529Q521-Q525 PolarHBondContact O-N 2.93Å; M522-Q525 PolarHBondContact O-N 3.06Å; Q525-Q528 PolarHBondContact O-N 3.18Å; Q525-Q529 WeakPolarHBondContact O-CB 3.16Å; Q525-Q529 PolarHBondContact O-N 2.99Å
526H69.6Low65.8Low126 Ų126120.3 Ų120.358%0.58358%0.579SS**Hα-helixtrans-63.1-45.1177.6-164.371.8000111.8M522 Q523 Q528 Q529 Q530M522-H526 PolarHBondContact O-N 2.82Å; Q523-H526 PolarHBondContact O-N 3.41Å; H526-Q528 PolarHBondContact O-N 3.31Å; H526-Q529 PolarHBondContact O-N 3.48Å; H526-Q530 WeakPolarHBondContact O-CB 3.43Å; H526-Q530 PolarHBondContact O-N 3.46Å
527L65.9Low65.1Low107 Ų107121.1 Ų121.156%0.5658%0.583SS**Hα-helixtrans-63.5-39.8177.1-162.272.6000112Q523 K524 Q530 V531Q523-L527 WeakPolarHBondContact O-CB 3.45Å; Q523-L527 PolarHBondContact O-N 2.97Å; K524-L527 PolarHBondContact O-N 3.32Å; L527-Q530 PolarHBondContact O-N 3.31Å; L527-V531 WeakPolarHBondContact O-CG2 3.44Å; L527-V531 PolarHBondContact O-N 3.06Å
528Q70.4Confident64.2Low133 Ų133120.6 Ų120.662%0.62158%0.58SS**Hα-helixtrans-66-39.1176.4-169.3169.427.800112.1K524 Q525 H526 Q530 V531 L532K524-Q528 WeakPolarHBondContact O-CB 3.46Å; K524-Q528 PolarHBondContact O-N 3.18Å; Q525-Q528 PolarHBondContact O-N 3.18Å; H526-Q528 PolarHBondContact O-N 3.31Å; Q528-Q530 VanDerWaalsContact C-N 3.34Å; Q528-V531 PolarHBondContact O-N 3.44Å; Q528-L532 HydrophobicContact CG-CD1 4.39Å; Q528-L532 VanDerWaalsContact O-CD1 3.29Å; Q528-L532 WeakPolarHBondContact O-CD1 3.39Å; Q528-L532 PolarHBondContact O-N 3.09Å; Q528-L532 VanDerWaalsContact O-N 3.12Å
529Q65Low63.2Low108 Ų108117.7 Ų117.751%0.50558%0.576SS.*Hα-helixtrans-66.5-36.4175.2-167.6167.710200111.9Q525 H526 L532 Q533Q525-Q529 WeakPolarHBondContact O-CB 3.16Å; Q525-Q529 PolarHBondContact O-N 2.99Å; H526-Q529 PolarHBondContact O-N 3.48Å; Q529-L532 PolarHBondContact O-N 2.88Å; Q529-Q533 PolarHBondContact O-N 3.17Å
530Q64.9Low62.2Low102 Ų102117.7 Ų117.748%0.47758%0.576SS.*Hα-helixtrans-66.9-37.5175-162.5173.339.900112.4H526 L527 Q528 Q533 H534H526-Q530 WeakPolarHBondContact O-CB 3.43Å; H526-Q530 PolarHBondContact O-N 3.46Å; L527-Q530 PolarHBondContact O-N 3.31Å; Q528-Q530 VanDerWaalsContact C-N 3.34Å; Q530-Q533 PolarHBondContact O-N 2.88Å; Q530-H534 PolarHBondContact O-N 3.35Å
531V64.8Low61.2Low91 Ų91118.6 Ų118.655%0.55258%0.58SS**Hα-helixtrans-64.7-42.5172.91700000111.7L527 Q528 Q533 H534 Q535L527-V531 WeakPolarHBondContact O-CG2 3.44Å; L527-V531 PolarHBondContact O-N 3.06Å; Q528-V531 PolarHBondContact O-N 3.44Å; V531-Q533 VanDerWaalsContact C-N 3.33Å; V531-Q533 PolarHBondContact O-N 2.89Å; V531-H534 PolarHBondContact O-N 2.93Å; V531-Q535 PolarHBondContact O-N 3.13Å
532L58.8Low60Low109 Ų109120 Ų12057%0.57159%0.587SS**Hα-helixtrans-62.3-39174.3-94.178.8000112.1Q528 Q529 Q535 N536Q528-L532 HydrophobicContact CG-CD1 4.39Å; Q528-L532 VanDerWaalsContact O-CD1 3.29Å; Q528-L532 WeakPolarHBondContact O-CD1 3.39Å; Q528-L532 PolarHBondContact O-N 3.09Å; Q528-L532 VanDerWaalsContact O-N 3.12Å; Q529-L532 PolarHBondContact O-N 2.88Å; L532-Q535 PolarHBondContact O-N 3.2Å; L532-N536 WeakPolarHBondContact O-CB 3.45Å; L532-N536 PolarHBondContact O-N 3.48Å
533Q59.7Low58.9Low122 Ų122122.7 Ų122.757%0.5760%0.598SS**Hα-helixtrans-63.4-42.7174.8-75.3-178.1-11.200112.2Q529 Q530 V531 N536 Q537Q529-Q533 PolarHBondContact O-N 3.17Å; Q530-Q533 PolarHBondContact O-N 2.88Å; V531-Q533 VanDerWaalsContact C-N 3.33Å; V531-Q533 PolarHBondContact O-N 2.89Å; Q533-N536 PolarHBondContact O-N 3.37Å; Q533-Q537 WeakPolarHBondContact O-CB 3.19Å; Q533-Q537 PolarHBondContact O-N 3.22Å
534H58.6Low57.7Low120 Ų120124.1 Ų124.156%0.55661%0.605SS**Hα-helixtrans-62.1-44.6176.1-113.164.8000112.5Q530 V531 N536 Q537 Q538Q530-H534 PolarHBondContact O-N 3.35Å; V531-H534 PolarHBondContact O-N 2.93Å; H534-N536 VanDerWaalsContact C-N 3.35Å; H534-N536 PolarHBondContact O-N 2.84Å; H534-Q537 PolarHBondContact O-N 3.04Å; H534-Q538 PolarHBondContact O-N 2.8Å
535Q54.5Low56.4Low138 Ų138125.1 Ų125.165%0.64561%0.612SS**Hα-helixtrans-63.6-40178.8-174.5166.584.700112V531 L532 Q537 Q538 A539V531-Q535 PolarHBondContact O-N 3.13Å; L532-Q535 PolarHBondContact O-N 3.2Å; Q535-Q537 VanDerWaalsContact C-N 3.35Å; Q535-Q538 PolarHBondContact O-N 3.28Å; Q535-A539 PolarHBondContact O-N 3.38Å
536N51.9Low55.2Low111 Ų111127.3 Ų127.359%0.59462%0.622SS**Hα-helixtrans-70.2-32.1176.7-147.78000112L532 Q533 H534 A539 L540L532-N536 WeakPolarHBondContact O-CB 3.45Å; L532-N536 PolarHBondContact O-N 3.48Å; Q533-N536 PolarHBondContact O-N 3.37Å; H534-N536 VanDerWaalsContact C-N 3.35Å; H534-N536 PolarHBondContact O-N 2.84Å; N536-A539 PolarHBondContact O-N 2.87Å; N536-L540 VanDerWaalsContact O-CD1 3.26Å; N536-L540 WeakPolarHBondContact O-CD1 3.33Å; N536-L540 PolarHBondContact O-N 3.38Å
537Q54.9Low53.9Low127 Ų127129.9 Ų129.959%0.59363%0.634SS**Hα-helixtrans-72.5-33176.9-169.5156.97300113Q533 H534 Q535 Q541Q533-Q537 WeakPolarHBondContact O-CB 3.19Å; Q533-Q537 PolarHBondContact O-N 3.22Å; H534-Q537 PolarHBondContact O-N 3.04Å; Q535-Q537 VanDerWaalsContact C-N 3.35Å; Q537-Q541 PolarHBondContact O-N 3.31Å
538Q52.3Low52.5Low124 Ų124134.2 Ų134.258%0.57965%0.651SS**Hα-helixtrans-66.8-35170.4-73.4-175-45.200112.6H534 Q535 L540 Q541 Q542H534-Q538 PolarHBondContact O-N 2.8Å; Q535-Q538 PolarHBondContact O-N 3.28Å; Q538-L540 PolarHBondContact O-N 3.2Å; Q538-Q541 PolarHBondContact O-N 3Å; Q538-Q542 PolarHBondContact O-N 2.91Å
539A48.8Very low50.7Low54 Ų54136.8 Ų136.845%0.44666%0.663SS.*Hα-helixtrans-62.4-40.9176.700000112.5Q535 N536 Q541Q535-A539 PolarHBondContact O-N 3.38Å; N536-A539 PolarHBondContact O-N 2.87Å; A539-Q541 PolarHBondContact O-N 2.84Å
540L50.2Low49.2Very low116 Ų116140.5 Ų140.561%0.60768%0.68SS**Hα-helixtrans-67.9-31.5176.8-87.282.3000113.2N536 Q538 Q543N536-L540 VanDerWaalsContact O-CD1 3.26Å; N536-L540 WeakPolarHBondContact O-CD1 3.33Å; N536-L540 PolarHBondContact O-N 3.38Å; Q538-L540 PolarHBondContact O-N 3.2Å; L540-Q543 PolarHBondContact O-N 2.89Å
541Q50.7Low47.7Very low140 Ų140142.8 Ų142.865%0.65470%0.701SS**Hα-helixtrans-69.5-34.2179-78.4-174.1-21.900113Q537 Q538 A539 Q543 Q544Q537-Q541 PolarHBondContact O-N 3.31Å; Q538-Q541 PolarHBondContact O-N 3Å; A539-Q541 PolarHBondContact O-N 2.84Å; Q541-Q543 VanDerWaalsContact C-N 3.25Å; Q541-Q543 PolarHBondContact O-N 3.09Å; Q541-Q544 PolarHBondContact O-N 3.34Å
542Q47.6Very low46Very low155 Ų155142.9 Ų142.972%0.72471%0.712SS**Hα-helixtrans-68.3-23.8176.9-69.3-172.5-6.400113Q538Q538-Q542 PolarHBondContact O-N 2.91Å
543Q45.3Very low44.7Very low170 Ų170144.7 Ų144.779%0.79473%0.728SS**THydrogen-bonded Turntrans-82.8-11.5-177.8-151.216930.400114.2L540 Q541L540-Q543 PolarHBondContact O-N 2.89Å; Q541-Q543 VanDerWaalsContact C-N 3.25Å; Q541-Q543 PolarHBondContact O-N 3.09Å
544Q44.8Very low43.6Very low174 Ų174144.4 Ų144.481%0.81374%0.737SS**THydrogen-bonded Turntrans-93.8-12.5176.1-75.2-171.4-19.900114.6Q541 H546Q541-Q544 PolarHBondContact O-N 3.34Å; Q544-H546 VanDerWaalsContact C-N 3.28Å; Q544-H546 PolarHBondContact O-N 3.17Å
545Q41.1Very low42.3Very low176 Ų176146.7 Ų146.782%0.82275%0.752SS**THydrogen-bonded Turntrans-78.1-2.8-176.3-99-176.4-19.700115.4
546H40.3Very low41.4Very low171 Ų171145.5 Ų145.579%0.79276%0.756SS**THydrogen-bonded Turntrans-103.316.3-168.2-135.1-57.6000115.7Q544Q544-H546 VanDerWaalsContact C-N 3.28Å; Q544-H546 PolarHBondContact O-N 3.17Å
547H42.2Very low40.6Very low179 Ų179146.4 Ų146.483%0.82977%0.768SS**SBendtrans-14129.4-172.3-12365.1000117.9
548Q34.7Very low39.4Very low199 Ų199149.4 Ų149.493%0.9378%0.782SS**  trans-149.191.1160.9-123.3163.35100112.5
549Q33.4Very low38.4Very low186 Ų186151.7 Ų151.787%0.86980%0.797SS**  trans-14275.9168-172.417883.800109.9
550Q34.5Very low37.4Very low186 Ų186158.3 Ų158.387%0.86982%0.819SS**  trans-163132.7158.7-118.4160.676.900112.7
551T31.6Very low36.5Very low150 Ų150161 Ų16192%0.9283%0.829SS**  trans91.4137.1-178.369.20000116
552A29.5Very low35.6Very low94 Ų94163.3 Ų163.378%0.77784%0.839SS**  trans-146.3144.8-169.700000111.4
553T31.6Very low34.6Very low146 Ų146164.4 Ų164.490%0.89685%0.845SS**  trans-162.8143.5151.15.30000108.8
554P38.1Very low33.7Very low117 Ų117164 Ų16476%0.7684%0.843SS**  trans-104.9144.9-170.837.6-32.2000114.3
555L29.3Very low33.1Very low168 Ų168161.4 Ų161.488%0.8884%0.841SS**  trans-141.2155.1161.3-81.3179.2000109.8
556P37.1Very low32.6Very low113 Ų113161.2 Ų161.273%0.73484%0.84SS**PPolyproline II helixtrans-74158.7-161.127.3-35.3000115.5
557P34.2Very low32.6Very low129 Ų129159.8 Ų159.884%0.83884%0.836SS**PPolyproline II helixtrans-80.2132.5-166.931.2-35.8000114
558Q29.6Very low33.1Very low190 Ų190154.8 Ų154.889%0.88882%0.821SS**PPolyproline II helixtrans-88.7139.3160.8-76.9-171-26.400111.1Q560Q558-Q560 PolarHBondContact O-N 3.5Å; Q558-Q560 VanDerWaalsContact O-N 3.15Å
559L31Very low35Very low172 Ų172151.2 Ų151.290%0.90181%0.805SS**  trans-64.8108.6177.8-73.6160.9000111Q561L559-Q561 PolarHBondContact O-N 3.24Å
560Q29.5Very low37.4Very low194 Ų194145.3 Ų145.391%0.90778%0.779SS**  trans-73.2101.1175.4-164.8168.726.400109.9Q558Q558-Q560 PolarHBondContact O-N 3.5Å; Q558-Q560 VanDerWaalsContact O-N 3.15Å
561Q31.1Very low39.6Very low173 Ų173138.6 Ų138.681%0.80875%0.747SS**  trans-57.5139.4177.3-71.4-179.3-10.200111.3L559 Q563L559-Q561 PolarHBondContact O-N 3.24Å; Q561-Q563 PolarHBondContact O-N 3.27Å; Q561-Q563 VanDerWaalsContact O-N 3.16Å
562Q30.6Very low41.9Very low187 Ų187131.9 Ų131.987%0.87471%0.708SS**  trans-60.2116.9166.1-69.8177.7-16.600108.8Q564Q562-Q564 PolarHBondContact O-N 3.06Å
563Q27.2Very low44.4Very low179 Ų179128.7 Ų128.784%0.83668%0.677SS**  trans-67.4109.3174.3-73.1-175.9-10.600109.6Q561Q561-Q563 PolarHBondContact O-N 3.27Å; Q561-Q563 VanDerWaalsContact O-N 3.16Å
564Q25.4Very low46.5Very low161 Ų161124.6 Ų124.675%0.75265%0.648SS**  trans-58.9149.7164.2-68.1-179.3-11.300109.6Q562 H566Q562-Q564 PolarHBondContact O-N 3.06Å; Q564-H566 PolarHBondContact O-N 3.15Å
565P33.4Very low47.7Very low120 Ų120126.4 Ų126.478%0.77965%0.646SS**  trans-57.8130.4178.224.2-34.2000110.7I567P565-I567 PolarHBondContact O-N 2.86Å
566H29.9Very low49.1Very low172 Ų172122.6 Ų122.680%0.79665%0.647SS**  trans-50.6108.4-174.2-94.1-82.9000112.8Q564 S568Q564-H566 PolarHBondContact O-N 3.15Å; H566-S568 PolarHBondContact O-N 3.22Å; H566-S568 VanDerWaalsContact O-N 3.15Å
567I39.8Very low50.3Low140 Ų140121 Ų12172%0.71863%0.63SS**  trans-65114.6165-59.9176.2000107.1P565 Q569P565-I567 PolarHBondContact O-N 2.86Å; I567-Q569 PolarHBondContact O-N 2.9Å; I567-Q569 VanDerWaalsContact O-N 3.11Å
568S53.3Low51.5Low74 Ų74122.4 Ų122.452%0.51763%0.63SS.*  trans-65.6110172.8-65.10000108.9H566 L570H566-S568 PolarHBondContact O-N 3.22Å; H566-S568 VanDerWaalsContact O-N 3.15Å; S568-L570 PolarHBondContact O-N 3.48Å
569Q74.8Confident53.6Low124 Ų124114.8 Ų114.858%0.57960%0.595SS**  trans-59.8138.4178.8-67.7-173.60.900110.7I567 F571I567-Q569 PolarHBondContact O-N 2.9Å; I567-Q569 VanDerWaalsContact O-N 3.11Å; Q569-F571 HydrophobicContact CB-CE1 4.36Å; Q569-F571 HydrophobicContact CB-CE2 3.76Å; Q569-F571 HydrophobicContact CB-CZ 3.58Å; Q569-F571 WeakPolarHBondContact O-CE2 3.44Å
570L83.4Confident55.5Low62 Ų62108.5 Ų108.533%0.32557%0.565SS.*  trans-116.3137177.5-58.3-179.5000109.1S568 P667 L790 W793 R794S568-L570 PolarHBondContact O-N 3.48Å; L570-P667 HydrophobicContact CB-CB 4.14Å; L570-P667 HydrophobicContact CB-CG 3.74Å; L570-P667 HydrophobicContact CD1-CB 4.37Å; L570-L790 HydrophobicContact CD1-CB 4.36Å; L570-L790 HydrophobicContact CD1-CD1 4.04Å; L570-L790 HydrophobicContact CD1-CD2 4.29Å; L570-L790 HydrophobicContact CD1-CG 4.47Å; L570-W793 CarbonylContact C-O 3.55Å; L570-W793 WeakPolarHBondContact CA-O 3.41Å; L570-W793 HydrophobicContact CB-CB 4.36Å; L570-W793 HydrophobicContact CD2-CB 4.08Å; L570-R794 HydrophobicContact CD2-CG 3.84Å
571F81.4Confident57.5Low45 Ų45105.8 Ų105.820%0.19755%0.552CS.*  trans-122.8137.3-166.9-56.7-92.7000111.9Q569 Q575 R649 W793 R794 P796Q569-F571 HydrophobicContact CB-CE1 4.36Å; Q569-F571 HydrophobicContact CB-CE2 3.76Å; Q569-F571 HydrophobicContact CB-CZ 3.58Å; Q569-F571 WeakPolarHBondContact O-CE2 3.44Å; F571-Q575 HydrophobicContact CD1-CG 4.37Å; F571-Q575 HydrophobicContact CE1-CG 4.3Å; F571-R649 PolarHBondContact O-NH2 2.99Å; F571-W793 PolarHBondContact N-O 2.95Å; F571-R794 WeakPolarHBondContact CD2-O 3.28Å; F571-P796 HydrophobicContact CB-CB 3.71Å; F571-P796 HydrophobicContact CG-CB 4.22Å
572G79.8Confident59.4Low10 Ų10101.6 Ų101.610%0.10354%0.535CS..SBendtrans-72.5-91.8158.900000108.6R649 M665 V797G572-R649 PolarHBondContact O-NH1 3.49Å; G572-R649 PolarHBondContact O-NH2 3.46Å; G572-M665 VanDerWaalsContact C-CE 3.41Å; G572-M665 WeakPolarHBondContact O-CE 3.48Å; G572-V797 PolarHBondContact O-N 3.02Å
573H81.3Confident61.7Low26 Ų2692.7 Ų92.712%0.1249%0.494CS..BIsolated β-bridgetrans-96.5177.5170.4-6296.2000112.3I579 F584 L586 M665 V797 V799H573-I579 HydrophobicContact CB-CD1 3.57Å; H573-F584 PolarHBondContact CE1-O 3.34Å; H573-L586 PolarHBondContact NE2-O 2.66Å; H573-M665 WeakPolarHBondContact CE1-CE 3.26Å; H573-V797 WeakPolarHBondContact CA-O 3.25Å; H573-V799 VanDerWaalsContact CD2-CG2 3.49Å; H573-V799 WeakPolarHBondContact CD2-CG2 3.32Å
574E77Confident64.3Low61 Ų6184.7 Ų84.729%0.28546%0.456SS..  trans-66.5142.2174.4-71.1-173.7148.300111.7P796 V797 K798E574-P796 HydrophobicContact CB-CB 4.4Å; E574-P796 HydrophobicContact CG-CB 3.59Å; E574-P796 HydrophobicContact CG-CG 3.47Å; E574-P796 VanDerWaalsContact CG-CG 3.47Å; E574-V797 PolarHBondContact N-O 3.33Å; E574-K798 HydrophobicContact CG-CG 4.46Å; E574-K798 WeakPolarHBondContact OE1-CE 3.41Å; E574-K798 IonicContact OE1-NZ 3.77Å; E574-K798 PolarHBondContact OE1-NZ 2.82Å; E574-K798 IonicContact OE2-NZ 3.51Å
575Q62.5Low67.3Low154 Ų15477 Ų7772%0.7242%0.42SS*.THydrogen-bonded Turntrans-71.1133.7178.4-65.5-176.82.100110.1F571F571-Q575 HydrophobicContact CD1-CG 4.37Å; F571-Q575 HydrophobicContact CE1-CG 4.3Å
576G58.9Low69.7Low88 Ų8871.9 Ų71.991%0.90739%0.386SS*.THydrogen-bonded Turntrans99.5-3.9179.300000115.7
577Q62.9Low72.2Confident79 Ų7965.3 Ų65.337%0.36937%0.365SS..  trans-92.4126.4167.2-67.6-169.5-15.200110.8I579Q577-I579 HydrophobicContact CB-CG1 4.4Å; Q577-I579 PolarHBondContact O-N 3.07Å
578D59.1Low74.5Confident160 Ų16058.7 Ų58.786%0.85633%0.331SS*.  trans-89.2103.9175.3-1623.9000109.9
579I72.8Confident76.3Confident30 Ų3056 Ų5615%0.15431%0.311CS..  trans-101.2124.4-172.9-61.7173.2000108.8H573 Q577 V799H573-I579 HydrophobicContact CB-CD1 3.57Å; Q577-I579 HydrophobicContact CB-CG1 4.4Å; Q577-I579 PolarHBondContact O-N 3.07Å; I579-V799 HydrophobicContact CD1-CG2 3.81Å
580P72.5Confident77.1Confident40 Ų4050 Ų5026%0.2628%0.283SS..  trans-53.7140.2-179.5-28.435.2000113.4D582 G583P580-D582 PolarHBondContact O-N 3.29Å; P580-G583 WeakPolarHBondContact O-CA 3.39Å; P580-G583 PolarHBondContact O-N 3.38Å
581Q69.6Low77.5Confident137 Ų13747.1 Ų47.164%0.6427%0.268SS*.THydrogen-bonded Turntrans-64.2-6.7-178.3-63.4-171.314.300115.1F584 K663Q581-F584 WeakPolarHBondContact O-CD1 3.36Å; Q581-F584 WeakPolarHBondContact O-CE1 3.42Å; Q581-K663 HydrophobicContact CB-CD 4.2Å; Q581-K663 WeakPolarHBondContact O-CD 3.41Å
582D71.9Confident77.8Confident85 Ų8546.4 Ų46.446%0.45527%0.266SS..THydrogen-bonded Turntrans-107.40.9173.1-56.6-46.3000112.5P580 C615 K663P580-D582 PolarHBondContact O-N 3.29Å; D582-C615 WeakPolarHBondContact O-CA 3.35Å; D582-K663 IonicContact OD1-NZ 2.9Å; D582-K663 PolarHBondContact OD1-NZ 3.11Å
583G78.4Confident78.1Confident0 Ų046.3 Ų46.30%027%0.265CS..  trans-122.722.4-179.100000114.1P580 L585 L586 C615P580-G583 WeakPolarHBondContact O-CA 3.39Å; P580-G583 PolarHBondContact O-N 3.38Å; G583-L585 PolarHBondContact O-N 3.17Å; G583-L586 WeakPolarHBondContact O-CB 3.42Å; G583-L586 PolarHBondContact O-N 2.95Å; G583-C615 CarbonylContact C-O 3.59Å; G583-C615 VanDerWaalsContact C-O 3.27Å; G583-C615 WeakPolarHBondContact CA-O 3.5Å
584F82.8Confident77.7Confident11 Ų1147.5 Ų47.55%0.04827%0.272CS..THydrogen-bonded Turntrans-69.60-173.757.3-93.8000115.6H573 Q581 C615 V659 L660 K663H573-F584 PolarHBondContact CE1-O 3.34Å; Q581-F584 WeakPolarHBondContact O-CD1 3.36Å; Q581-F584 WeakPolarHBondContact O-CE1 3.42Å; F584-C615 HydrophobicContact CE1-CB 4.27Å; F584-C615 HydrophobicContact CE2-CB 4.13Å; F584-C615 HydrophobicContact CZ-CB 3.88Å; F584-C615 VanDerWaalsContact CZ-SG 3.52Å; F584-V659 HydrophobicContact CD2-CG1 3.73Å; F584-V659 HydrophobicContact CE2-CG1 3.78Å; F584-L660 HydrophobicContact CE2-CD2 4.03Å; F584-L660 HydrophobicContact CZ-CD2 3.87Å; F584-K663 WeakPolarHBondContact CB-O 3.47Å; F584-K663 VanDerWaalsContact CD1-C 3.41Å; F584-K663 HydrophobicContact CD1-CB 4.08Å; F584-K663 WeakPolarHBondContact CD1-O 3.16Å; F584-K663 HydrophobicContact CE1-CB 4.05Å; F584-K663 HydrophobicContact CE1-CG 4.07Å; F584-K663 VanDerWaalsContact CG-C 3.44Å; F584-K663 WeakPolarHBondContact CG-O 3.49Å
585L86.9Confident77.7Confident0 Ų046.5 Ų46.50%027%0.266CS..THydrogen-bonded Turntrans-105.19.7167.5-59.5-177.6000112.6G583 G587 C588 F590 I612 C615 G617 L656 V659G583-L585 PolarHBondContact O-N 3.17Å; L585-G587 PolarHBondContact O-N 3.43Å; L585-C588 HydrophobicContact CB-CB 4.45Å; L585-C588 WeakPolarHBondContact O-CA 3.3Å; L585-C588 WeakPolarHBondContact O-CB 3.48Å; L585-C588 PolarHBondContact O-N 3.06Å; L585-C588 PolarHBondContact O-SG 2.93Å; L585-F590 HydrophobicContact CD1-CE2 4.24Å; L585-F590 HydrophobicContact CD2-CE2 4.45Å; L585-F590 HydrophobicContact CD2-CZ 4.25Å; L585-I612 HydrophobicContact CD1-CB 4.37Å; L585-I612 HydrophobicContact CD1-CG1 4.27Å; L585-I612 HydrophobicContact CD1-CG2 4.19Å; L585-C615 HydrophobicContact CB-CB 4.36Å; L585-C615 WeakPolarHBondContact CB-O 3.3Å; L585-C615 HydrophobicContact CD1-CB 3.97Å; L585-C615 HydrophobicContact CG-CB 4.06Å; L585-C615 PolarHBondContact N-O 2.94Å; L585-G617 WeakPolarHBondContact O-CA 3.22Å; L585-L656 HydrophobicContact CD1-CD1 4.1Å; L585-V659 HydrophobicContact CD2-CG1 3.9Å
586L84.9Confident77.6Confident12 Ų1242.6 Ų42.66%0.06325%0.253CS..THydrogen-bonded Turntrans-59.6136.2177.8-160.963.8000111.4H573 G583 C588 G616 V799 A803 L804 L807H573-L586 PolarHBondContact NE2-O 2.66Å; G583-L586 WeakPolarHBondContact O-CB 3.42Å; G583-L586 PolarHBondContact O-N 2.95Å; L586-C588 PolarHBondContact O-N 3.42Å; L586-G616 WeakPolarHBondContact CA-O 3.47Å; L586-V799 HydrophobicContact CB-CG1 4.49Å; L586-V799 HydrophobicContact CD2-CG1 3.58Å; L586-V799 HydrophobicContact CG-CG1 3.88Å; L586-A803 HydrophobicContact CD1-CB 3.82Å; L586-A803 HydrophobicContact CD2-CB 4.17Å; L586-A803 HydrophobicContact CG-CB 3.97Å; L586-L804 HydrophobicContact CD2-CD2 3.63Å; L586-L804 HydrophobicContact CD2-CG 3.87Å; L586-L807 HydrophobicContact CD1-CD1 4.03Å; L586-L807 HydrophobicContact CD2-CD1 4.45Å
587G81.8Confident77.3Confident33 Ų3344.8 Ų44.834%0.3424%0.24SC..THydrogen-bonded Turntrans78.9-6.4-170.500000114.9L585L585-G587 PolarHBondContact O-N 3.43Å
588C88.8Confident76.4Confident1 Ų147.4 Ų47.41%0.00725%0.252CS..  trans-92.8117.3179.6-54.40000111.3L585 L586 F590 G617 V618 M665L585-C588 HydrophobicContact CB-CB 4.45Å; L585-C588 WeakPolarHBondContact O-CA 3.3Å; L585-C588 WeakPolarHBondContact O-CB 3.48Å; L585-C588 PolarHBondContact O-N 3.06Å; L585-C588 PolarHBondContact O-SG 2.93Å; L586-C588 PolarHBondContact O-N 3.42Å; C588-F590 HydrophobicContact CB-CD2 4.26Å; C588-F590 HydrophobicContact CB-CE2 3.56Å; C588-F590 HydrophobicContact CB-CZ 4.15Å; C588-G617 CarbonylContact O-C 3.33Å; C588-G617 WeakPolarHBondContact O-CA 3.46Å; C588-V618 PolarHBondContact O-N 3.2Å; C588-M665 PolarHBondContact SG-SD 3.22Å
589V90.9Very high75.2Confident17 Ų1748.2 Ų48.210%0.10325%0.253CS..EExtended strand (participates in β ladder)trans-103.8124.7168.5-175.20000108.8V618 D620 R626 T628 H629V589-V618 CarbonylContact C-O 3.57Å; V589-V618 WeakPolarHBondContact CA-O 3.47Å; V589-V618 HydrophobicContact CG1-CB 4.43Å; V589-V618 HydrophobicContact CG1-CG1 4.48Å; V589-V618 HydrophobicContact CG2-CB 4.28Å; V589-D620 WeakPolarHBondContact CG1-OD2 3.19Å; V589-R626 WeakPolarHBondContact CB-O 3.39Å; V589-T628 PolarHBondContact N-OG1 3.16Å; V589-T628 PolarHBondContact O-N 3.39Å; V589-T628 PolarHBondContact O-OG1 2.94Å; V589-H629 PolarHBondContact O-N 2.9Å
590F92.4Very high73.8Confident0 Ų050.2 Ų50.20%027%0.274CS..EExtended strand (participates in β ladder)trans-108.2137.4-177.9-69.9-94.3000111.5L585 C588 I612 V618 V619 D620 H629 W655L585-F590 HydrophobicContact CD1-CE2 4.24Å; L585-F590 HydrophobicContact CD2-CE2 4.45Å; L585-F590 HydrophobicContact CD2-CZ 4.25Å; C588-F590 HydrophobicContact CB-CD2 4.26Å; C588-F590 HydrophobicContact CB-CE2 3.56Å; C588-F590 HydrophobicContact CB-CZ 4.15Å; F590-I612 HydrophobicContact CD2-CD1 4.41Å; F590-I612 HydrophobicContact CD2-CG2 3.62Å; F590-I612 HydrophobicContact CE2-CG2 3.9Å; F590-I612 HydrophobicContact CG-CD1 4.33Å; F590-I612 HydrophobicContact CG-CG2 4.48Å; F590-V618 PolarHBondContact N-O 3.33Å; F590-V619 HydrophobicContact CB-CG2 4.36Å; F590-V619 CarbonylContact O-C 3.39Å; F590-V619 WeakPolarHBondContact O-CA 3.46Å; F590-D620 PolarHBondContact O-N 2.94Å; F590-H629 WeakPolarHBondContact CA-O 3.49Å; F590-H629 HydrophobicContact CD1-CB 3.52Å; F590-H629 HydrophobicContact CE1-CB 3.54Å; F590-H629 AromaticContact CE1-CG 3.85Å; F590-H629 HydrophobicContact CG-CB 4.22Å; F590-H629 HydrophobicContact CZ-CB 4.27Å; F590-W655 AromaticContact CE1-CZ3 3.86Å; F590-W655 HydrophobicContact CE1-CZ3 3.86Å; F590-W655 HydrophobicContact CZ-CH2 4.37Å; F590-W655 AromaticContact CZ-CZ3 3.98Å; F590-W655 HydrophobicContact CZ-CZ3 3.98Å
591A90.8Very high73Confident1 Ų150.9 Ų50.91%0.00828%0.276CS..EExtended strand (participates in β ladder)trans-101.1152.9152.400000109L623 H629 L630 L631A591-L623 HydrophobicContact CB-CB 4.2Å; A591-L623 HydrophobicContact CB-CD1 4.13Å; A591-H629 PolarHBondContact N-O 2.91Å; A591-L630 HydrophobicContact CB-CD1 3.89Å; A591-L631 PolarHBondContact O-N 3.46Å
592I88.9Confident72.5Confident30 Ų3049.6 Ų49.615%0.15427%0.268CS..EExtended strand (participates in β ladder)trans-121.6131.9176.5-54.2179.2000108.6Y595 L605 K609 V619 L631I592-Y595 HydrophobicContact CG2-CD2 3.8Å; I592-Y595 HydrophobicContact CG2-CE2 4.39Å; I592-L605 HydrophobicContact CG2-CD2 3.92Å; I592-K609 HydrophobicContact CD1-CG 4.27Å; I592-V619 HydrophobicContact CD1-CG1 3.88Å; I592-V619 HydrophobicContact CG1-CG1 4.02Å; I592-L631 WeakPolarHBondContact CA-O 3.43Å; I592-L631 HydrophobicContact CB-CB 4.49Å; I592-L631 HydrophobicContact CD1-CD2 4.31Å; I592-L631 HydrophobicContact CG1-CB 4.12Å; I592-L631 HydrophobicContact CG1-CD2 4.18Å; I592-L631 HydrophobicContact CG2-CB 4.45Å; I592-L631 HydrophobicContact CG2-CD2 4.31Å
593A85.4Confident72.3Confident8 Ų852.7 Ų52.77%0.06628%0.28CS..  trans-142.4167.1-178.100000111.7Y595 L630 L631 C632 M639A593-Y595 WeakPolarHBondContact O-CD2 3.38Å; A593-Y595 PolarHBondContact O-N 2.94Å; A593-L630 HydrophobicContact CB-CD1 3.98Å; A593-L631 PolarHBondContact N-O 2.83Å; A593-C632 HydrophobicContact CB-CB 4.48Å; A593-M639 HydrophobicContact CB-CB 4.18Å; A593-M639 HydrophobicContact CB-CE 3.9Å; A593-M639 HydrophobicContact CB-SD 3.69Å
594D73Confident72Confident51 Ų5154.9 Ų54.927%0.27329%0.291SS..SBendtrans63.61.1169.7-44.4-36.3000117.4C632 S637D594-C632 WeakPolarHBondContact OD2-CB 3.45Å; D594-S637 VanDerWaalsContact CG-CB 3.44Å; D594-S637 WeakPolarHBondContact OD1-CB 3.34Å; D594-S637 PolarHBondContact OD1-OG 3.14Å; D594-S637 WeakPolarHBondContact OD2-CB 3.47Å; D594-S637 PolarHBondContact OD2-OG 2.65Å
595Y75.4Confident71.8Confident40 Ų4055.1 Ų55.116%0.15729%0.293CS..SBendtrans-90.5134.7170.8-64.4-71.4000111.2I592 A593 W608 L631 E633 A653I592-Y595 HydrophobicContact CG2-CD2 3.8Å; I592-Y595 HydrophobicContact CG2-CE2 4.39Å; A593-Y595 WeakPolarHBondContact O-CD2 3.38Å; A593-Y595 PolarHBondContact O-N 2.94Å; Y595-W608 HydrophobicContact CD1-CH2 4.04Å; Y595-W608 HydrophobicContact CD1-CZ3 4.17Å; Y595-W608 HydrophobicContact CD2-CH2 4.47Å; Y595-W608 AromaticContact CD2-CZ3 3.82Å; Y595-W608 HydrophobicContact CD2-CZ3 3.82Å; Y595-W608 HydrophobicContact CE1-CH2 4.02Å; Y595-W608 HydrophobicContact CE1-CZ3 4.3Å; Y595-W608 HydrophobicContact CE2-CH2 4.43Å; Y595-W608 AromaticContact CE2-CZ3 3.94Å; Y595-W608 HydrophobicContact CE2-CZ3 3.94Å; Y595-W608 HydrophobicContact CG-CH2 4.29Å; Y595-W608 AromaticContact CG-CZ3 3.94Å; Y595-W608 HydrophobicContact CG-CZ3 3.94Å; Y595-L631 HydrophobicContact CE2-CD2 4.35Å; Y595-L631 HydrophobicContact CE2-CG 4.15Å; Y595-E633 HydrophobicContact CE1-CB 4.1Å; Y595-A653 PolarHBondContact OH-N 3.46Å; Y595-A653 VanDerWaalsContact OH-N 3.12Å
596P61.3Low71.5Confident71 Ų7157.4 Ų57.446%0.46131%0.312SS..  trans-70.7135.3-175.728-34.6000112.7Q598 D601P596-Q598 PolarHBondContact O-N 3.4Å; P596-Q598 VanDerWaalsContact O-N 3.17Å; P596-D601 WeakPolarHBondContact O-CB 3.32Å
597E51.9Low71.4Confident134 Ų13459.8 Ų59.863%0.62633%0.327SS*.  trans-84.932.2177.6-62.7-154148.800114.2K602E597-K602 WeakPolarHBondContact O-CE 3.4Å
598Q44.6Very low71.6Confident135 Ų13560.1 Ų60.163%0.63132%0.318SS*.  trans-71.4163.1178.6-68.1-172.7-1000111.3P596 A600 D601 K602P596-Q598 PolarHBondContact O-N 3.4Å; P596-Q598 VanDerWaalsContact O-N 3.17Å; Q598-A600 VanDerWaalsContact C-N 3.28Å; Q598-A600 PolarHBondContact O-N 3.49Å; Q598-A600 VanDerWaalsContact O-N 3.09Å; Q598-D601 PolarHBondContact O-N 3.12Å; Q598-K602 PolarHBondContact O-N 3.25Å
599M33.5Very low71.5Confident176 Ų17664.1 Ų64.187%0.86734%0.335SS*.THydrogen-bonded Turntrans-54-37.4-162.6-78-68.5-156.600114.8
600A43.1Very low71.2Confident73 Ų7371.4 Ų71.460%0.60336%0.361SS*.THydrogen-bonded Turntrans-71.9-43.3178.300000112.5Q598 K602 Q603Q598-A600 VanDerWaalsContact C-N 3.28Å; Q598-A600 PolarHBondContact O-N 3.49Å; Q598-A600 VanDerWaalsContact O-N 3.09Å; A600-K602 VanDerWaalsContact C-N 3.29Å; A600-K602 PolarHBondContact O-N 3.36Å; A600-Q603 PolarHBondContact O-N 3.24Å
601D55.9Low70.9Confident54 Ų5473.7 Ų73.729%0.28938%0.375SS..Hα-helixtrans-74.1-18.1-172.6-62.9-58.6000113.6P596 Q598 Q603 L604 L605P596-D601 WeakPolarHBondContact O-CB 3.32Å; Q598-D601 PolarHBondContact O-N 3.12Å; D601-Q603 PolarHBondContact O-N 2.71Å; D601-L604 WeakPolarHBondContact O-CA 3.41Å; D601-L604 WeakPolarHBondContact O-CB 3.38Å; D601-L604 PolarHBondContact O-N 2.9Å; D601-L605 WeakPolarHBondContact O-CB 3.31Å; D601-L605 WeakPolarHBondContact O-CG 3.42Å; D601-L605 PolarHBondContact O-N 2.98Å
602K59.8Low70.8Confident109 Ų10973.7 Ų73.747%0.47437%0.374SS..Hα-helixtrans-57.9-34.4169.9-75.7-174.5169.4173.30112.5E597 Q598 A600 A606E597-K602 WeakPolarHBondContact O-CE 3.4Å; Q598-K602 PolarHBondContact O-N 3.25Å; A600-K602 VanDerWaalsContact C-N 3.29Å; A600-K602 PolarHBondContact O-N 3.36Å; K602-A606 VanDerWaalsContact O-CB 3.28Å; K602-A606 WeakPolarHBondContact O-CB 3.43Å; K602-A606 PolarHBondContact O-N 3.04Å
603Q68.4Low70.7Confident151 Ų15177.9 Ų77.971%0.70639%0.393SS*.Hα-helixtrans-74.5-33.1174.3-169.8170.50.800112.1A600 D601 T607A600-Q603 PolarHBondContact O-N 3.24Å; D601-Q603 PolarHBondContact O-N 2.71Å; Q603-T607 WeakPolarHBondContact O-CB 3.26Å; Q603-T607 PolarHBondContact O-N 3.28Å; Q603-T607 PolarHBondContact O-OG1 2.75Å
604L71.8Confident70.6Confident46 Ų4681.1 Ų81.124%0.24142%0.42CS..Hα-helixtrans-67.5-48.8174.9-175.761.5000111.5T317 D601 A606 T607 W608T317-L604 HydrophobicContact CG2-CD1 3.81Å; D601-L604 WeakPolarHBondContact O-CA 3.41Å; D601-L604 WeakPolarHBondContact O-CB 3.38Å; D601-L604 PolarHBondContact O-N 2.9Å; L604-A606 PolarHBondContact O-N 3.16Å; L604-T607 CarbonylContact O-C 3.55Å; L604-T607 WeakPolarHBondContact O-CA 3.28Å; L604-T607 WeakPolarHBondContact O-CB 3.44Å; L604-T607 PolarHBondContact O-N 2.86Å; L604-W608 HydrophobicContact CD1-CZ2 4.12Å; L604-W608 HydrophobicContact CD2-CH2 4.19Å; L604-W608 HydrophobicContact CD2-CZ2 3.71Å; L604-W608 HydrophobicContact CG-CD2 4.42Å; L604-W608 HydrophobicContact CG-CH2 4.41Å; L604-W608 HydrophobicContact CG-CZ2 3.75Å; L604-W608 PolarHBondContact O-N 2.79Å
605L77.8Confident71.2Confident16 Ų1679.7 Ų79.78%0.08441%0.414CS..Hα-helixtrans-60.6-41.2175.2-73.1165.8000112.1I592 D601 T607 W608 K609I592-L605 HydrophobicContact CG2-CD2 3.92Å; D601-L605 WeakPolarHBondContact O-CB 3.31Å; D601-L605 WeakPolarHBondContact O-CG 3.42Å; D601-L605 PolarHBondContact O-N 2.98Å; L605-T607 VanDerWaalsContact C-N 3.31Å; L605-W608 HydrophobicContact CD2-CE3 3.98Å; L605-W608 HydrophobicContact CD2-CZ3 4.06Å; L605-W608 PolarHBondContact O-N 2.96Å; L605-K609 WeakPolarHBondContact O-CB 3.28Å; L605-K609 VanDerWaalsContact O-CG 3.31Å; L605-K609 WeakPolarHBondContact O-CG 3.23Å; L605-K609 PolarHBondContact O-N 2.94Å
606A80.8Confident71.5Confident48 Ų4878.7 Ų78.740%0.39742%0.416SS..Hα-helixtrans-64.1-36.917300000112.2K602 L604 R610K602-A606 VanDerWaalsContact O-CB 3.28Å; K602-A606 WeakPolarHBondContact O-CB 3.43Å; K602-A606 PolarHBondContact O-N 3.04Å; L604-A606 PolarHBondContact O-N 3.16Å; A606-R610 WeakPolarHBondContact O-CB 3.32Å; A606-R610 PolarHBondContact O-N 2.83Å
607T83.1Confident72.7Confident61 Ų6175.6 Ų75.637%0.37440%0.396SS..Hα-helixtrans-67.3-46.7175.8-590000111.2Q603 L604 L605 K609 R610 V611Q603-T607 WeakPolarHBondContact O-CB 3.26Å; Q603-T607 PolarHBondContact O-N 3.28Å; Q603-T607 PolarHBondContact O-OG1 2.75Å; L604-T607 CarbonylContact O-C 3.55Å; L604-T607 WeakPolarHBondContact O-CA 3.28Å; L604-T607 WeakPolarHBondContact O-CB 3.44Å; L604-T607 PolarHBondContact O-N 2.86Å; L605-T607 VanDerWaalsContact C-N 3.31Å; T607-K609 PolarHBondContact O-N 3.29Å; T607-R610 PolarHBondContact O-N 3.07Å; T607-V611 HydrophobicContact CG2-CG2 4.28Å; T607-V611 WeakPolarHBondContact O-CB 3.31Å; T607-V611 VanDerWaalsContact O-CG2 3.27Å; T607-V611 WeakPolarHBondContact O-CG2 3.49Å; T607-V611 PolarHBondContact O-N 2.77Å
608W85.1Confident74.5Confident41 Ų4172.1 Ų72.116%0.15538%0.384CS..Hα-helixtrans-59.4-45175-65.8-12000112Y595 L604 L605 R610 V611 I612 L631 A653Y595-W608 HydrophobicContact CD1-CH2 4.04Å; Y595-W608 HydrophobicContact CD1-CZ3 4.17Å; Y595-W608 HydrophobicContact CD2-CH2 4.47Å; Y595-W608 AromaticContact CD2-CZ3 3.82Å; Y595-W608 HydrophobicContact CD2-CZ3 3.82Å; Y595-W608 HydrophobicContact CE1-CH2 4.02Å; Y595-W608 HydrophobicContact CE1-CZ3 4.3Å; Y595-W608 HydrophobicContact CE2-CH2 4.43Å; Y595-W608 AromaticContact CE2-CZ3 3.94Å; Y595-W608 HydrophobicContact CE2-CZ3 3.94Å; Y595-W608 HydrophobicContact CG-CH2 4.29Å; Y595-W608 AromaticContact CG-CZ3 3.94Å; Y595-W608 HydrophobicContact CG-CZ3 3.94Å; L604-W608 HydrophobicContact CD1-CZ2 4.12Å; L604-W608 HydrophobicContact CD2-CH2 4.19Å; L604-W608 HydrophobicContact CD2-CZ2 3.71Å; L604-W608 HydrophobicContact CG-CD2 4.42Å; L604-W608 HydrophobicContact CG-CH2 4.41Å; L604-W608 HydrophobicContact CG-CZ2 3.75Å; L604-W608 PolarHBondContact O-N 2.79Å; L605-W608 HydrophobicContact CD2-CE3 3.98Å; L605-W608 HydrophobicContact CD2-CZ3 4.06Å; L605-W608 PolarHBondContact O-N 2.96Å; W608-R610 PolarHBondContact O-N 2.89Å; W608-V611 PolarHBondContact O-N 2.94Å; W608-I612 WeakPolarHBondContact O-CB 3.28Å; W608-I612 VanDerWaalsContact O-CG1 3.27Å; W608-I612 WeakPolarHBondContact O-CG1 3.44Å; W608-I612 PolarHBondContact O-N 3.19Å; W608-L631 HydrophobicContact CE3-CD2 3.88Å; W608-L631 HydrophobicContact CZ3-CD2 4.18Å; W608-A653 HydrophobicContact CH2-CB 3.49Å; W608-A653 VanDerWaalsContact CH2-CB 3.49Å; W608-A653 HydrophobicContact CZ2-CB 3.52Å; W608-A653 HydrophobicContact CZ3-CB 4.08Å
609K86.8Confident76.6Confident84 Ų8466.7 Ų66.737%0.36536%0.361SS..Hα-helixtrans-56.7-50.2175.6-75.7170.7-179.9177.50111.7I592 L605 T607 V611 I612 Q613 V619I592-K609 HydrophobicContact CD1-CG 4.27Å; L605-K609 WeakPolarHBondContact O-CB 3.28Å; L605-K609 VanDerWaalsContact O-CG 3.31Å; L605-K609 WeakPolarHBondContact O-CG 3.23Å; L605-K609 PolarHBondContact O-N 2.94Å; T607-K609 PolarHBondContact O-N 3.29Å; K609-V611 PolarHBondContact O-N 3.21Å; K609-I612 PolarHBondContact O-N 3.06Å; K609-Q613 WeakPolarHBondContact O-CB 3.15Å; K609-Q613 VanDerWaalsContact O-CG 3.25Å; K609-Q613 WeakPolarHBondContact O-CG 3.36Å; K609-Q613 PolarHBondContact O-N 3.4Å; K609-Q613 VanDerWaalsContact O-N 3.09Å; K609-Q613 PolarHBondContact O-OE1 3.09Å; K609-V619 HydrophobicContact CG-CB 4.29Å; K609-V619 HydrophobicContact CG-CG1 4.06Å; K609-V619 HydrophobicContact CG-CG2 4.34Å
610R85.1Confident79.2Confident171 Ų17159.6 Ų59.665%0.64533%0.326SS*.Hα-helixtrans-62-40.1177.6-175.4-177.9-67.3155.2-2.6112.7A606 T607 W608 A614A606-R610 WeakPolarHBondContact O-CB 3.32Å; A606-R610 PolarHBondContact O-N 2.83Å; T607-R610 PolarHBondContact O-N 3.07Å; W608-R610 PolarHBondContact O-N 2.89Å; R610-A614 VanDerWaalsContact O-CB 3.31Å; R610-A614 WeakPolarHBondContact O-CB 3.22Å; R610-A614 PolarHBondContact O-N 2.85Å
611V85.9Confident81Confident48 Ų4861.7 Ų61.729%0.29133%0.333SS..Hα-helixtrans-71.1-42.1-179.6168.30000111.7T607 W608 K609 Q613 A614 C615 L660T607-V611 HydrophobicContact CG2-CG2 4.28Å; T607-V611 WeakPolarHBondContact O-CB 3.31Å; T607-V611 VanDerWaalsContact O-CG2 3.27Å; T607-V611 WeakPolarHBondContact O-CG2 3.49Å; T607-V611 PolarHBondContact O-N 2.77Å; W608-V611 PolarHBondContact O-N 2.94Å; K609-V611 PolarHBondContact O-N 3.21Å; V611-Q613 VanDerWaalsContact C-N 3.32Å; V611-Q613 PolarHBondContact O-N 3.16Å; V611-A614 PolarHBondContact O-N 3.22Å; V611-C615 PolarHBondContact O-N 3.49Å; V611-C615 VanDerWaalsContact O-N 3.1Å; V611-C615 PolarHBondContact O-SG 3.29Å; V611-L660 HydrophobicContact CG1-CD1 3.62Å; V611-L660 HydrophobicContact CG1-CD2 3.52Å; V611-L660 HydrophobicContact CG1-CG 4.24Å
612I88.3Confident82.3Confident0 Ų063 Ų630%034%0.344CS..Hα-helixtrans-59.5-46174.5-69.2163.6000110.2L585 F590 W608 K609 C615 G616 G617 V619 L656L585-I612 HydrophobicContact CD1-CB 4.37Å; L585-I612 HydrophobicContact CD1-CG1 4.27Å; L585-I612 HydrophobicContact CD1-CG2 4.19Å; F590-I612 HydrophobicContact CD2-CD1 4.41Å; F590-I612 HydrophobicContact CD2-CG2 3.62Å; F590-I612 HydrophobicContact CE2-CG2 3.9Å; F590-I612 HydrophobicContact CG-CD1 4.33Å; F590-I612 HydrophobicContact CG-CG2 4.48Å; W608-I612 WeakPolarHBondContact O-CB 3.28Å; W608-I612 VanDerWaalsContact O-CG1 3.27Å; W608-I612 WeakPolarHBondContact O-CG1 3.44Å; W608-I612 PolarHBondContact O-N 3.19Å; K609-I612 PolarHBondContact O-N 3.06Å; I612-C615 PolarHBondContact O-N 3.01Å; I612-G616 PolarHBondContact O-N 3.32Å; I612-G617 WeakPolarHBondContact O-CA 3.41Å; I612-G617 PolarHBondContact O-N 3.39Å; I612-V619 HydrophobicContact CB-CG2 3.83Å; I612-V619 HydrophobicContact CD1-CG2 3.72Å; I612-V619 HydrophobicContact CG1-CG2 4.39Å; I612-V619 HydrophobicContact CG2-CG2 3.61Å; I612-L656 HydrophobicContact CD1-CD2 3.92Å; I612-L656 HydrophobicContact CG1-CD1 4.15Å; I612-L656 HydrophobicContact CG1-CD2 3.97Å
613Q88.1Confident83.6Confident119 Ų11958.7 Ų58.756%0.55633%0.326SS*.Hα-helixtrans-60.7-44.7175.7-72.1168.2-26.300112.5K609 V611 C615 G616 G617K609-Q613 WeakPolarHBondContact O-CB 3.15Å; K609-Q613 VanDerWaalsContact O-CG 3.25Å; K609-Q613 WeakPolarHBondContact O-CG 3.36Å; K609-Q613 PolarHBondContact O-N 3.4Å; K609-Q613 VanDerWaalsContact O-N 3.09Å; K609-Q613 PolarHBondContact O-OE1 3.09Å; V611-Q613 VanDerWaalsContact C-N 3.32Å; V611-Q613 PolarHBondContact O-N 3.16Å; Q613-C615 PolarHBondContact O-N 2.98Å; Q613-G616 PolarHBondContact O-N 3.47Å; Q613-G616 VanDerWaalsContact O-N 3.14Å; Q613-G617 WeakPolarHBondContact CA-O 3.37Å
614A83.1Confident84.6Confident76 Ų7653.6 Ų53.663%0.62831%0.305SS*.Hα-helixtrans-63.9-24.1178.100000113.7R610 V611R610-A614 VanDerWaalsContact O-CB 3.31Å; R610-A614 WeakPolarHBondContact O-CB 3.22Å; R610-A614 PolarHBondContact O-N 2.85Å; V611-A614 PolarHBondContact O-N 3.22Å
615C84.7Confident85.3Confident20 Ų2056.4 Ų56.414%0.13533%0.328CS..THydrogen-bonded Turntrans-97.413.6176.8-63.50000114D582 G583 F584 L585 V611 I612 Q613D582-C615 WeakPolarHBondContact O-CA 3.35Å; G583-C615 CarbonylContact C-O 3.59Å; G583-C615 VanDerWaalsContact C-O 3.27Å; G583-C615 WeakPolarHBondContact CA-O 3.5Å; F584-C615 HydrophobicContact CE1-CB 4.27Å; F584-C615 HydrophobicContact CE2-CB 4.13Å; F584-C615 HydrophobicContact CZ-CB 3.88Å; F584-C615 VanDerWaalsContact CZ-SG 3.52Å; L585-C615 HydrophobicContact CB-CB 4.36Å; L585-C615 WeakPolarHBondContact CB-O 3.3Å; L585-C615 HydrophobicContact CD1-CB 3.97Å; L585-C615 HydrophobicContact CG-CB 4.06Å; L585-C615 PolarHBondContact N-O 2.94Å; V611-C615 PolarHBondContact O-N 3.49Å; V611-C615 VanDerWaalsContact O-N 3.1Å; V611-C615 PolarHBondContact O-SG 3.29Å; I612-C615 PolarHBondContact O-N 3.01Å; Q613-C615 PolarHBondContact O-N 2.98Å
616G82.4Confident85.7Confident20 Ų2062.8 Ų62.821%0.20635%0.351CS..THydrogen-bonded Turntrans87.53.9175.400000116L586 I612 Q613L586-G616 WeakPolarHBondContact CA-O 3.47Å; I612-G616 PolarHBondContact O-N 3.32Å; Q613-G616 PolarHBondContact O-N 3.47Å; Q613-G616 VanDerWaalsContact O-N 3.14Å
617G87.6Confident86.2Confident5 Ų560.6 Ų60.65%0.05233%0.333CS..  trans-88.6160.8175.400000113.1L585 C588 I612 Q613L585-G617 WeakPolarHBondContact O-CA 3.22Å; C588-G617 CarbonylContact O-C 3.33Å; C588-G617 WeakPolarHBondContact O-CA 3.46Å; I612-G617 WeakPolarHBondContact O-CA 3.41Å; I612-G617 PolarHBondContact O-N 3.39Å; Q613-G617 WeakPolarHBondContact CA-O 3.37Å
618V88.6Confident86.5Confident62 Ų6259.6 Ų59.638%0.37633%0.327SS..EExtended strand (participates in β ladder)trans-110.4145.4174.8-178.30000109.4C588 V589 F590C588-V618 PolarHBondContact O-N 3.2Å; V589-V618 CarbonylContact C-O 3.57Å; V589-V618 WeakPolarHBondContact CA-O 3.47Å; V589-V618 HydrophobicContact CG1-CB 4.43Å; V589-V618 HydrophobicContact CG1-CG1 4.48Å; V589-V618 HydrophobicContact CG2-CB 4.28Å; F590-V618 PolarHBondContact N-O 3.33Å
619V89.6Confident86.9Confident21 Ų2157.7 Ų57.713%0.12732%0.32CS..EExtended strand (participates in β ladder)trans-119.7115.9170.3-171.20000109.6F590 I592 K609 I612F590-V619 HydrophobicContact CB-CG2 4.36Å; F590-V619 CarbonylContact O-C 3.39Å; F590-V619 WeakPolarHBondContact O-CA 3.46Å; I592-V619 HydrophobicContact CD1-CG1 3.88Å; I592-V619 HydrophobicContact CG1-CG1 4.02Å; K609-V619 HydrophobicContact CG-CB 4.29Å; K609-V619 HydrophobicContact CG-CG1 4.06Å; K609-V619 HydrophobicContact CG-CG2 4.34Å; I612-V619 HydrophobicContact CB-CG2 3.83Å; I612-V619 HydrophobicContact CD1-CG2 3.72Å; I612-V619 HydrophobicContact CG1-CG2 4.39Å; I612-V619 HydrophobicContact CG2-CG2 3.61Å
620D87.8Confident87.2Confident26 Ų2653.7 Ų53.714%0.13930%0.302CS..  trans-89.2145.1171.8-69.6-26.6000109.4V589 F590 T622 R626V589-D620 WeakPolarHBondContact CG1-OD2 3.19Å; F590-D620 PolarHBondContact O-N 2.94Å; D620-T622 PolarHBondContact O-N 2.99Å; D620-R626 IonicContact OD1-NE 3.79Å; D620-R626 WeakPolarHBondContact OD2-CD 3.42Å; D620-R626 WeakPolarHBondContact OD2-CG 3.35Å; D620-R626 IonicContact OD2-NE 3.04Å; D620-R626 PolarHBondContact OD2-NE 3.17Å
621P79.5Confident87.5Confident117 Ų11745.5 Ų45.576%0.7627%0.271SS*.SBendtrans-75.9-10.6-178.631.9-36.6000113.7
622T84Confident87.7Confident82 Ų8243.2 Ų43.250%0.50326%0.258SS..SBendtrans-138.3153.5-179.151.70000110D620 T624D620-T622 PolarHBondContact O-N 2.99Å; T622-T624 PolarHBondContact O-N 2.68Å
623L88Confident87.6Confident19 Ų1945.6 Ų45.610%0.09927%0.269CS..  trans-71.5118.2172-179.965000109.3A591 C627 M639 Q642 A643 K648A591-L623 HydrophobicContact CB-CB 4.2Å; A591-L623 HydrophobicContact CB-CD1 4.13Å; L623-C627 HydrophobicContact CD1-CB 3.97Å; L623-M639 HydrophobicContact CB-CE 3.78Å; L623-M639 WeakPolarHBondContact CD2-O 3.44Å; L623-Q642 HydrophobicContact CD2-CB 3.97Å; L623-Q642 HydrophobicContact CD2-CG 3.85Å; L623-A643 HydrophobicContact CD1-CB 4.39Å; L623-A643 HydrophobicContact CD2-CB 3.86Å; L623-K648 HydrophobicContact CD1-CG 4.47Å
624T89Confident87.5Confident44 Ų4440.1 Ų40.127%0.2724%0.243SC..  trans-132.5166.9-178.463.70000111T622 R626 C627T622-T624 PolarHBondContact O-N 2.68Å; T624-R626 PolarHBondContact O-N 3.46Å; T624-R626 VanDerWaalsContact O-N 3.15Å; T624-R626 WeakPolarHBondContact OG1-CG 3.43Å; T624-C627 PolarHBondContact N-SG 3.07Å; T624-C627 VanDerWaalsContact O-CB 3.26Å; T624-C627 WeakPolarHBondContact O-CB 3.28Å; T624-C627 PolarHBondContact O-N 2.85Å; T624-C627 PolarHBondContact O-SG 3.14Å; T624-C627 PolarHBondContact OG1-SG 2.8Å; T624-C627 VanDerWaalsContact OG1-SG 3.38Å
625S85.3Confident87.8Confident104 Ų10438.5 Ų38.573%0.72722%0.223SC*.THydrogen-bonded Turntrans-58.2-30.1-177.955.90000113.8C627 K648S625-C627 VanDerWaalsContact C-N 3.33Å; S625-K648 PolarHBondContact O-NZ 3.34Å
626R87.6Confident87.9Confident150 Ų15041.3 Ų41.357%0.56624%0.239SC*.THydrogen-bonded Turntrans-73.9-15.1174.457.7177.3-75.7143.45.9114.4V589 D620 T624V589-R626 WeakPolarHBondContact CB-O 3.39Å; D620-R626 IonicContact OD1-NE 3.79Å; D620-R626 WeakPolarHBondContact OD2-CD 3.42Å; D620-R626 WeakPolarHBondContact OD2-CG 3.35Å; D620-R626 IonicContact OD2-NE 3.04Å; D620-R626 PolarHBondContact OD2-NE 3.17Å; T624-R626 PolarHBondContact O-N 3.46Å; T624-R626 VanDerWaalsContact O-N 3.15Å; T624-R626 WeakPolarHBondContact OG1-CG 3.43Å
627C90.7Very high88Confident3 Ų341.3 Ų41.32%0.0224%0.236CC..  trans-65.2144.1175.4-58.40000110.7L623 T624 S625 K648L623-C627 HydrophobicContact CD1-CB 3.97Å; T624-C627 PolarHBondContact N-SG 3.07Å; T624-C627 VanDerWaalsContact O-CB 3.26Å; T624-C627 WeakPolarHBondContact O-CB 3.28Å; T624-C627 PolarHBondContact O-N 2.85Å; T624-C627 PolarHBondContact O-SG 3.14Å; T624-C627 PolarHBondContact OG1-SG 2.8Å; T624-C627 VanDerWaalsContact OG1-SG 3.38Å; S625-C627 VanDerWaalsContact C-N 3.33Å; C627-K648 VanDerWaalsContact O-CD 3.26Å; C627-K648 WeakPolarHBondContact O-CD 3.34Å; C627-K648 WeakPolarHBondContact O-CE 3.31Å; C627-K648 PolarHBondContact O-NZ 2.78Å
628T89.8Confident88Confident40 Ų4048 Ų4825%0.24527%0.271CS..  trans-112.4-33.7179600000111.7V589 R649V589-T628 PolarHBondContact N-OG1 3.16Å; V589-T628 PolarHBondContact O-N 3.39Å; V589-T628 PolarHBondContact O-OG1 2.94Å; T628-R649 PolarHBondContact O-N 3.05Å
629H92.7Very high88Confident0 Ų047.8 Ų47.80%027%0.266CS..EExtended strand (participates in β ladder)trans-127144.7-178.7-63.879.1000109.9V589 F590 A591 R649 W793V589-H629 PolarHBondContact O-N 2.9Å; F590-H629 WeakPolarHBondContact CA-O 3.49Å; F590-H629 HydrophobicContact CD1-CB 3.52Å; F590-H629 HydrophobicContact CE1-CB 3.54Å; F590-H629 AromaticContact CE1-CG 3.85Å; F590-H629 HydrophobicContact CG-CB 4.22Å; F590-H629 HydrophobicContact CZ-CB 4.27Å; A591-H629 PolarHBondContact N-O 2.91Å; H629-R649 CarbonylContact C-O 3.59Å; H629-R649 VanDerWaalsContact CA-O 3.23Å; H629-R649 WeakPolarHBondContact CA-O 3.46Å; H629-R649 VanDerWaalsContact CD2-CB 3.49Å; H629-R649 WeakPolarHBondContact CD2-CB 3.39Å; H629-R649 VanDerWaalsContact NE2-CD 3.25Å; H629-R649 WeakPolarHBondContact NE2-CD 3.37Å; H629-W793 AromaticContact NE2-CH2 3.52Å; H629-W793 AromaticContact NE2-CZ2 3.94Å
630L93Very high88.1Confident0 Ų047.3 Ų47.30%026%0.262CS..EExtended strand (participates in β ladder)trans-113.8118166.4177.469.1000108.2A591 A593 C632 M639 A643 R649 V651A591-L630 HydrophobicContact CB-CD1 3.89Å; A593-L630 HydrophobicContact CB-CD1 3.98Å; L630-C632 HydrophobicContact CD2-CB 3.98Å; L630-C632 HydrophobicContact CG-CB 3.94Å; L630-M639 HydrophobicContact CD1-CE 4.38Å; L630-M639 HydrophobicContact CD2-CB 4.43Å; L630-A643 HydrophobicContact CB-CB 4Å; L630-A643 HydrophobicContact CD2-CB 3.59Å; L630-A643 HydrophobicContact CG-CB 4.38Å; L630-R649 PolarHBondContact N-O 2.84Å; L630-V651 PolarHBondContact O-N 3.36Å
631L91.6Very high88.2Confident0 Ų049.3 Ų49.30%028%0.276CS..EExtended strand (participates in β ladder)trans-85.1107.4170.5-158.876.1000108.3A591 I592 A593 Y595 W608 V651 T652 L656A591-L631 PolarHBondContact O-N 3.46Å; I592-L631 WeakPolarHBondContact CA-O 3.43Å; I592-L631 HydrophobicContact CB-CB 4.49Å; I592-L631 HydrophobicContact CD1-CD2 4.31Å; I592-L631 HydrophobicContact CG1-CB 4.12Å; I592-L631 HydrophobicContact CG1-CD2 4.18Å; I592-L631 HydrophobicContact CG2-CB 4.45Å; I592-L631 HydrophobicContact CG2-CD2 4.31Å; A593-L631 PolarHBondContact N-O 2.83Å; Y595-L631 HydrophobicContact CE2-CD2 4.35Å; Y595-L631 HydrophobicContact CE2-CG 4.15Å; W608-L631 HydrophobicContact CE3-CD2 3.88Å; W608-L631 HydrophobicContact CZ3-CD2 4.18Å; L631-V651 CarbonylContact C-O 3.59Å; L631-V651 VanDerWaalsContact CA-O 3.29Å; L631-V651 WeakPolarHBondContact CA-O 3.49Å; L631-V651 HydrophobicContact CD1-CG2 4.35Å; L631-T652 VanDerWaalsContact CD1-C 3.46Å; L631-T652 WeakPolarHBondContact CD1-O 3.32Å; L631-L656 HydrophobicContact CD1-CB 4.31Å; L631-L656 HydrophobicContact CD2-CD2 4.43Å
632C90.1Very high88.8Confident0 Ų047.6 Ų47.60%026%0.257CS..  trans-148.5153.5-173.5520000111.1A593 D594 L630 V651 P675A593-C632 HydrophobicContact CB-CB 4.48Å; D594-C632 WeakPolarHBondContact OD2-CB 3.45Å; L630-C632 HydrophobicContact CD2-CB 3.98Å; L630-C632 HydrophobicContact CG-CB 3.94Å; C632-V651 PolarHBondContact N-O 2.99Å; C632-P675 WeakPolarHBondContact SG-CG 3.49Å
633E86.4Confident89.1Confident49 Ų4943.7 Ų43.723%0.22923%0.233CC..SBendtrans-98.8-24.9179.1-172.3159.7-136.100113.4Y595 P675 F676Y595-E633 HydrophobicContact CE1-CB 4.1Å; E633-P675 WeakPolarHBondContact O-CA 3.41Å; E633-F676 HydrophobicContact CG-CD2 3.73Å; E633-F676 HydrophobicContact CG-CE2 3.63Å; E633-F676 WeakPolarHBondContact O-CD2 3.45Å; E633-F676 PolarHBondContact O-N 2.71Å
634S86.1Confident89.3Confident4 Ų445.6 Ų45.63%0.02824%0.243CC..BIsolated β-bridgetrans-128.7138.9-171.7-173.10000114.4V636 F678S634-V636 VanDerWaalsContact C-N 3.27Å; S634-V636 PolarHBondContact O-N 2.66Å; S634-V636 PolarHBondContact OG-N 2.87Å; S634-F678 PolarHBondContact OG-O 2.91Å
635Q89.5Confident89.3Confident43 Ų4353.5 Ų53.520%0.20127%0.268CS..THydrogen-bonded Turntrans-78.1-2176.7-59.1-174.132.300114.3Y640 P675 F676Q635-Y640 VanDerWaalsContact C-CD1 3.44Å; Q635-Y640 VanDerWaalsContact CA-CD1 3.47Å; Q635-Y640 HydrophobicContact CB-CD1 4.05Å; Q635-Y640 HydrophobicContact CB-CE1 3.56Å; Q635-Y640 HydrophobicContact CB-CE2 4.29Å; Q635-Y640 HydrophobicContact CG-CE1 4.06Å; Q635-Y640 HydrophobicContact CG-CE2 3.99Å; Q635-Y640 WeakPolarHBondContact O-CD1 3.26Å; Q635-Y640 WeakPolarHBondContact O-CE1 3.29Å; Q635-Y640 PolarHBondContact OE1-OH 3.49Å; Q635-P675 HydrophobicContact CG-CB 3.95Å; Q635-P675 WeakPolarHBondContact CG-O 3.02Å; Q635-P675 PolarHBondContact NE2-O 3.15Å; Q635-F676 WeakPolarHBondContact CG-O 3.16Å; Q635-F676 PolarHBondContact N-O 2.64Å
636V85.7Confident89.6Confident78 Ų7852 Ų5247%0.47325%0.25SC..THydrogen-bonded Turntrans-102.13.5179-49.90000113.8S634 P679S634-V636 VanDerWaalsContact C-N 3.27Å; S634-V636 PolarHBondContact O-N 2.66Å; S634-V636 PolarHBondContact OG-N 2.87Å; V636-P679 HydrophobicContact CG2-CB 3.65Å; V636-P679 HydrophobicContact CG2-CG 4.24Å
637S86.1Confident89.6Confident21 Ų2147.2 Ų47.215%0.14725%0.247CC..SBendtrans-71.2141175.9-175.70000112D594 M639 Y640 V641D594-S637 VanDerWaalsContact CG-CB 3.44Å; D594-S637 WeakPolarHBondContact OD1-CB 3.34Å; D594-S637 PolarHBondContact OD1-OG 3.14Å; D594-S637 WeakPolarHBondContact OD2-CB 3.47Å; D594-S637 PolarHBondContact OD2-OG 2.65Å; S637-M639 PolarHBondContact O-N 3.21Å; S637-M639 PolarHBondContact OG-N 2.85Å; S637-Y640 WeakPolarHBondContact O-CB 3.45Å; S637-Y640 PolarHBondContact O-N 3.43Å; S637-V641 PolarHBondContact O-N 2.94Å
638N87.8Confident89.7Confident145 Ų14548.3 Ų48.378%0.77525%0.251SS*.Hα-helixtrans-57.8-35.9173.8-72.9-35.6000111.7V641 Q642N638-V641 PolarHBondContact O-N 2.81Å; N638-Q642 WeakPolarHBondContact O-CB 3.45Å; N638-Q642 PolarHBondContact O-N 2.8Å
639M87.9Confident89.9Confident57 Ų5746.8 Ų46.828%0.28124%0.241SC..Hα-helixtrans-68.1-37.2176.3-69.1-179.169.700111.7A593 L623 L630 S637 A643A593-M639 HydrophobicContact CB-CB 4.18Å; A593-M639 HydrophobicContact CB-CE 3.9Å; A593-M639 HydrophobicContact CB-SD 3.69Å; L623-M639 HydrophobicContact CB-CE 3.78Å; L623-M639 WeakPolarHBondContact CD2-O 3.44Å; L630-M639 HydrophobicContact CD1-CE 4.38Å; L630-M639 HydrophobicContact CD2-CB 4.43Å; S637-M639 PolarHBondContact O-N 3.21Å; S637-M639 PolarHBondContact OG-N 2.85Å; M639-A643 WeakPolarHBondContact O-CB 3.44Å; M639-A643 PolarHBondContact O-N 3.21Å
640Y91.5Very high89.9Confident11 Ų1146.9 Ų46.94%0.04324%0.241CC..Hα-helixtrans-64.5-46.5172.8170.5-90.3000112Q635 S637 Q642 A643 L644 C650 P675 L789Q635-Y640 VanDerWaalsContact C-CD1 3.44Å; Q635-Y640 VanDerWaalsContact CA-CD1 3.47Å; Q635-Y640 HydrophobicContact CB-CD1 4.05Å; Q635-Y640 HydrophobicContact CB-CE1 3.56Å; Q635-Y640 HydrophobicContact CB-CE2 4.29Å; Q635-Y640 HydrophobicContact CG-CE1 4.06Å; Q635-Y640 HydrophobicContact CG-CE2 3.99Å; Q635-Y640 WeakPolarHBondContact O-CD1 3.26Å; Q635-Y640 WeakPolarHBondContact O-CE1 3.29Å; Q635-Y640 PolarHBondContact OE1-OH 3.49Å; S637-Y640 WeakPolarHBondContact O-CB 3.45Å; S637-Y640 PolarHBondContact O-N 3.43Å; Y640-Q642 VanDerWaalsContact C-N 3.29Å; Y640-Q642 PolarHBondContact O-N 2.85Å; Y640-A643 PolarHBondContact O-N 3.11Å; Y640-L644 HydrophobicContact CE1-CD2 4.13Å; Y640-L644 WeakPolarHBondContact O-CB 3.35Å; Y640-L644 PolarHBondContact O-N 3.28Å; Y640-C650 HydrophobicContact CD2-CB 3.88Å; Y640-C650 HydrophobicContact CE2-CB 3.75Å; Y640-P675 HydrophobicContact CD2-CG 4.35Å; Y640-P675 HydrophobicContact CE2-CB 4.48Å; Y640-P675 HydrophobicContact CE2-CG 4.22Å; Y640-L789 HydrophobicContact CE2-CD2 3.73Å; Y640-L789 WeakPolarHBondContact OH-CD2 3.43Å
641V90.4Very high90Very high69 Ų6946.9 Ų46.942%0.41824%0.241SC..Hα-helixtrans-62.9-37.2179.5175.80000111.4S637 N638 R645S637-V641 PolarHBondContact O-N 2.94Å; N638-V641 PolarHBondContact O-N 2.81Å; V641-R645 WeakPolarHBondContact O-CB 3.4Å; V641-R645 PolarHBondContact O-N 3.45Å
642Q91.2Very high90Very high80 Ų8046.9 Ų46.937%0.37424%0.241SC..Hα-helixtrans-66-50.6171.2-178.8-176.9-14.200111.6L623 N638 Y640 L644 R645 E646L623-Q642 HydrophobicContact CD2-CB 3.97Å; L623-Q642 HydrophobicContact CD2-CG 3.85Å; N638-Q642 WeakPolarHBondContact O-CB 3.45Å; N638-Q642 PolarHBondContact O-N 2.8Å; Y640-Q642 VanDerWaalsContact C-N 3.29Å; Y640-Q642 PolarHBondContact O-N 2.85Å; Q642-L644 VanDerWaalsContact C-N 3.33Å; Q642-L644 PolarHBondContact O-N 2.91Å; Q642-R645 WeakPolarHBondContact O-CB 3.42Å; Q642-R645 PolarHBondContact O-N 2.86Å; Q642-R645 VanDerWaalsContact O-N 3.13Å; Q642-E646 VanDerWaalsContact CG-OE1 3.28Å; Q642-E646 WeakPolarHBondContact CG-OE1 3.46Å; Q642-E646 PolarHBondContact NE2-OE1 3.42Å; Q642-E646 PolarHBondContact O-N 2.96Å
643A91.4Very high89.9Confident0 Ų047.3 Ų47.30%025%0.245CC..Hα-helixtrans-59.1-42-178.500000112.5L623 L630 M639 Y640 E646 G647 K648L623-A643 HydrophobicContact CD1-CB 4.39Å; L623-A643 HydrophobicContact CD2-CB 3.86Å; L630-A643 HydrophobicContact CB-CB 4Å; L630-A643 HydrophobicContact CD2-CB 3.59Å; L630-A643 HydrophobicContact CG-CB 4.38Å; M639-A643 WeakPolarHBondContact O-CB 3.44Å; M639-A643 PolarHBondContact O-N 3.21Å; Y640-A643 PolarHBondContact O-N 3.11Å; A643-E646 CarbonylContact O-C 3.57Å; A643-E646 PolarHBondContact O-N 3.22Å; A643-G647 PolarHBondContact O-N 3.15Å; A643-K648 HydrophobicContact CB-CB 4.01Å; A643-K648 HydrophobicContact CB-CG 4.11Å; A643-K648 WeakPolarHBondContact O-CB 3.21Å; A643-K648 WeakPolarHBondContact O-CG 3.38Å; A643-K648 PolarHBondContact O-N 2.87Å
644L91Very high90Very high60 Ų6047.7 Ų47.731%0.31425%0.247SC..Hα-helixtrans-65.7-39.5176.5-170.766.4000111.8Y640 Q642 G647Y640-L644 HydrophobicContact CE1-CD2 4.13Å; Y640-L644 WeakPolarHBondContact O-CB 3.35Å; Y640-L644 PolarHBondContact O-N 3.28Å; Q642-L644 VanDerWaalsContact C-N 3.33Å; Q642-L644 PolarHBondContact O-N 2.91Å; L644-G647 PolarHBondContact O-N 3.09Å
645R89.7Confident90.4Very high210 Ų21047.5 Ų47.579%0.79225%0.245SC*.Hα-helixtrans-64.8-37.4174.6-173.5-171.3-60.9-179.61.2112.5V641 Q642 G647V641-R645 WeakPolarHBondContact O-CB 3.4Å; V641-R645 PolarHBondContact O-N 3.45Å; Q642-R645 WeakPolarHBondContact O-CB 3.42Å; Q642-R645 PolarHBondContact O-N 2.86Å; Q642-R645 VanDerWaalsContact O-N 3.13Å; R645-G647 PolarHBondContact O-N 2.8Å
646E90.5Very high90.3Very high73 Ų7345.5 Ų45.534%0.34124%0.236SC..THydrogen-bonded Turntrans-80.13.8175.6-71.2-175.8-143.400113.8Q642 A643 K648Q642-E646 VanDerWaalsContact CG-OE1 3.28Å; Q642-E646 WeakPolarHBondContact CG-OE1 3.46Å; Q642-E646 PolarHBondContact NE2-OE1 3.42Å; Q642-E646 PolarHBondContact O-N 2.96Å; A643-E646 CarbonylContact O-C 3.57Å; A643-E646 PolarHBondContact O-N 3.22Å; E646-K648 VanDerWaalsContact C-N 3.32Å; E646-K648 HydrophobicContact CB-CD 4.01Å; E646-K648 HydrophobicContact CB-CG 4Å; E646-K648 PolarHBondContact O-N 3.06Å; E646-K648 WeakPolarHBondContact OE2-CE 3.22Å; E646-K648 IonicContact OE2-NZ 3.9Å
647G89.1Confident90.4Very high48 Ų4844.2 Ų44.250%0.49523%0.23SC..THydrogen-bonded Turntrans68.225.8179.700000114.4A643 L644 R645 A792A643-G647 PolarHBondContact O-N 3.15Å; L644-G647 PolarHBondContact O-N 3.09Å; R645-G647 PolarHBondContact O-N 2.8Å; G647-A792 WeakPolarHBondContact O-CB 3.17Å
648K92.4Very high90.4Very high26 Ų2644.5 Ų44.511%0.11323%0.231CC..  trans-79152.6178.1-46.6-47.4-161.4-171.70111.7L623 S625 C627 A643 E646 C650L623-K648 HydrophobicContact CD1-CG 4.47Å; S625-K648 PolarHBondContact O-NZ 3.34Å; C627-K648 VanDerWaalsContact O-CD 3.26Å; C627-K648 WeakPolarHBondContact O-CD 3.34Å; C627-K648 WeakPolarHBondContact O-CE 3.31Å; C627-K648 PolarHBondContact O-NZ 2.78Å; A643-K648 HydrophobicContact CB-CB 4.01Å; A643-K648 HydrophobicContact CB-CG 4.11Å; A643-K648 WeakPolarHBondContact O-CB 3.21Å; A643-K648 WeakPolarHBondContact O-CG 3.38Å; A643-K648 PolarHBondContact O-N 2.87Å; E646-K648 VanDerWaalsContact C-N 3.32Å; E646-K648 HydrophobicContact CB-CD 4.01Å; E646-K648 HydrophobicContact CB-CG 4Å; E646-K648 PolarHBondContact O-N 3.06Å; E646-K648 WeakPolarHBondContact OE2-CE 3.22Å; E646-K648 IonicContact OE2-NZ 3.9Å; K648-C650 PolarHBondContact O-N 3.25Å
649R93.4Very high90.4Very high9 Ų937.6 Ų37.63%0.03419%0.194CC..EExtended strand (participates in β ladder)trans-79.4101.1177.9-66.7172.6171.8-159.8-3.7110.9F571 G572 T628 H629 L630 A792 W793 T795F571-R649 PolarHBondContact O-NH2 2.99Å; G572-R649 PolarHBondContact O-NH1 3.49Å; G572-R649 PolarHBondContact O-NH2 3.46Å; T628-R649 PolarHBondContact O-N 3.05Å; H629-R649 CarbonylContact C-O 3.59Å; H629-R649 VanDerWaalsContact CA-O 3.23Å; H629-R649 WeakPolarHBondContact CA-O 3.46Å; H629-R649 VanDerWaalsContact CD2-CB 3.49Å; H629-R649 WeakPolarHBondContact CD2-CB 3.39Å; H629-R649 VanDerWaalsContact NE2-CD 3.25Å; H629-R649 WeakPolarHBondContact NE2-CD 3.37Å; L630-R649 PolarHBondContact N-O 2.84Å; R649-A792 HydrophobicContact CB-CB 4.44Å; R649-A792 HydrophobicContact CG-CB 3.65Å; R649-A792 PolarHBondContact NE-O 3.01Å; R649-W793 HydrophobicContact CB-CZ2 3.77Å; R649-W793 HydrophobicContact CG-CD2 4.19Å; R649-W793 HydrophobicContact CG-CG 4.44Å; R649-W793 HydrophobicContact CG-CZ2 3.99Å; R649-T795 PolarHBondContact NH2-O 3.19Å
650C93.6Very high90.3Very high1 Ų137.2 Ų37.21%0.00719%0.193CC..EExtended strand (participates in β ladder)trans-86.7123.2179.2-58.10000110.9Y640 K648 P675 L789Y640-C650 HydrophobicContact CD2-CB 3.88Å; Y640-C650 HydrophobicContact CE2-CB 3.75Å; K648-C650 PolarHBondContact O-N 3.25Å; C650-P675 HydrophobicContact CB-CG 4.23Å; C650-L789 HydrophobicContact CB-CD2 4.04Å
651V94.2Very high89.8Confident0 Ų045.3 Ų45.30%023%0.229CC..EExtended strand (participates in β ladder)trans-150.3162.2-171.4-73.40000111.7L630 L631 C632 W655 P668 H673 W793L630-V651 PolarHBondContact O-N 3.36Å; L631-V651 CarbonylContact C-O 3.59Å; L631-V651 VanDerWaalsContact CA-O 3.29Å; L631-V651 WeakPolarHBondContact CA-O 3.49Å; L631-V651 HydrophobicContact CD1-CG2 4.35Å; C632-V651 PolarHBondContact N-O 2.99Å; V651-W655 HydrophobicContact CB-CB 4.01Å; V651-W655 HydrophobicContact CB-CD2 3.99Å; V651-W655 HydrophobicContact CB-CE3 4.02Å; V651-W655 HydrophobicContact CB-CG 4Å; V651-W655 HydrophobicContact CG1-CB 4.35Å; V651-W655 HydrophobicContact CG1-CD2 3.92Å; V651-W655 HydrophobicContact CG1-CE3 4.33Å; V651-W655 HydrophobicContact CG1-CG 3.91Å; V651-W655 HydrophobicContact CG2-CD2 4.11Å; V651-W655 HydrophobicContact CG2-CE3 3.65Å; V651-W655 HydrophobicContact CG2-CZ3 4.15Å; V651-P668 HydrophobicContact CG1-CG 3.81Å; V651-H673 WeakPolarHBondContact CA-O 3.37Å; V651-W793 HydrophobicContact CG1-CZ2 3.81Å
652T91.8Very high89.4Confident1 Ų147.5 Ų47.51%0.00623%0.233CC..  trans-99.6169.4178.5710000113.2L631 H654 W655 L656 L672 H673 L674L631-T652 VanDerWaalsContact CD1-C 3.46Å; L631-T652 WeakPolarHBondContact CD1-O 3.32Å; T652-H654 PolarHBondContact O-N 3.46Å; T652-H654 WeakPolarHBondContact OG1-CB 3.47Å; T652-H654 PolarHBondContact OG1-N 2.9Å; T652-W655 WeakPolarHBondContact O-CB 3.49Å; T652-W655 PolarHBondContact O-N 3.17Å; T652-W655 VanDerWaalsContact O-N 3.09Å; T652-W655 PolarHBondContact OG1-N 3.02Å; T652-L656 PolarHBondContact O-N 3.44Å; T652-L672 WeakPolarHBondContact CG2-O 3.29Å; T652-L672 PolarHBondContact OG1-O 2.93Å; T652-H673 PolarHBondContact N-O 3.19Å; T652-H673 VanDerWaalsContact N-O 3.1Å; T652-L674 VanDerWaalsContact CG2-C 3.44Å; T652-L674 WeakPolarHBondContact CG2-O 3.47Å
653A88.9Confident89.1Confident9 Ų948.1 Ų48.17%0.07423%0.234CC..Hα-helixtrans-56.8-24.7167.800000114.5Y595 W608 L656 S657Y595-A653 PolarHBondContact OH-N 3.46Å; Y595-A653 VanDerWaalsContact OH-N 3.12Å; W608-A653 HydrophobicContact CH2-CB 3.49Å; W608-A653 VanDerWaalsContact CH2-CB 3.49Å; W608-A653 HydrophobicContact CZ2-CB 3.52Å; W608-A653 HydrophobicContact CZ3-CB 4.08Å; A653-L656 PolarHBondContact O-N 3.06Å; A653-S657 WeakPolarHBondContact O-CB 3.13Å; A653-S657 PolarHBondContact O-N 2.91Å; A653-S657 PolarHBondContact O-OG 3.23Å
654H88.9Confident88.8Confident57 Ų5754.8 Ų54.826%0.26426%0.263SS..Hα-helixtrans-69.4-38.4174.2-56.3105.3000111.6T652 S657 T658 L672 L705T652-H654 PolarHBondContact O-N 3.46Å; T652-H654 WeakPolarHBondContact OG1-CB 3.47Å; T652-H654 PolarHBondContact OG1-N 2.9Å; H654-S657 WeakPolarHBondContact O-CB 3.44Å; H654-S657 PolarHBondContact O-N 3.23Å; H654-T658 PolarHBondContact O-N 2.77Å; H654-T658 PolarHBondContact O-OG1 3.45Å; H654-L672 HydrophobicContact CB-CB 4.29Å; H654-L705 WeakPolarHBondContact NE2-CD2 3.37Å
655W92.6Very high88.6Confident0 Ų052.3 Ų52.30%025%0.25CC..Hα-helixtrans-60.9-47.1173.2174.380.9000111.4F590 V651 T652 S657 T658 V659 M665 V666 H673 W793F590-W655 AromaticContact CE1-CZ3 3.86Å; F590-W655 HydrophobicContact CE1-CZ3 3.86Å; F590-W655 HydrophobicContact CZ-CH2 4.37Å; F590-W655 AromaticContact CZ-CZ3 3.98Å; F590-W655 HydrophobicContact CZ-CZ3 3.98Å; V651-W655 HydrophobicContact CB-CB 4.01Å; V651-W655 HydrophobicContact CB-CD2 3.99Å; V651-W655 HydrophobicContact CB-CE3 4.02Å; V651-W655 HydrophobicContact CB-CG 4Å; V651-W655 HydrophobicContact CG1-CB 4.35Å; V651-W655 HydrophobicContact CG1-CD2 3.92Å; V651-W655 HydrophobicContact CG1-CE3 4.33Å; V651-W655 HydrophobicContact CG1-CG 3.91Å; V651-W655 HydrophobicContact CG2-CD2 4.11Å; V651-W655 HydrophobicContact CG2-CE3 3.65Å; V651-W655 HydrophobicContact CG2-CZ3 4.15Å; T652-W655 WeakPolarHBondContact O-CB 3.49Å; T652-W655 PolarHBondContact O-N 3.17Å; T652-W655 VanDerWaalsContact O-N 3.09Å; T652-W655 PolarHBondContact OG1-N 3.02Å; W655-S657 VanDerWaalsContact C-N 3.31Å; W655-S657 PolarHBondContact O-N 2.89Å; W655-T658 PolarHBondContact O-N 2.98Å; W655-V659 HydrophobicContact CD2-CG2 4.16Å; W655-V659 HydrophobicContact CH2-CG2 4.11Å; W655-V659 HydrophobicContact CZ2-CB 4.48Å; W655-V659 HydrophobicContact CZ2-CG2 3.54Å; W655-V659 PolarHBondContact O-N 3.35Å; W655-M665 HydrophobicContact CH2-CG 4.41Å; W655-M665 HydrophobicContact CH2-SD 4.46Å; W655-M665 HydrophobicContact CZ2-CG 4.12Å; W655-V666 PolarHBondContact NE1-O 3.01Å; W655-H673 VanDerWaalsContact CA-CD2 3.43Å; W655-H673 WeakPolarHBondContact CA-CD2 3.26Å; W655-H673 HydrophobicContact CB-CB 3.82Å; W655-H673 HydrophobicContact CG-CB 4.41Å; W655-H673 PolarHBondContact N-CD2 3.19Å; W655-W793 AromaticContact CE2-CH2 3.84Å; W655-W793 HydrophobicContact CH2-CH2 4.17Å; W655-W793 AromaticContact CZ2-CH2 3.41Å; W655-W793 HydrophobicContact CZ2-CH2 3.41Å; W655-W793 VanDerWaalsContact CZ2-CH2 3.41Å; W655-W793 HydrophobicContact CZ2-CZ2 4.18Å; W655-W793 HydrophobicContact CZ2-CZ3 4.26Å
656L88.2Confident88.5Confident1 Ų143.7 Ų43.71%0.00522%0.221CC..Hα-helixtrans-57.5-47176.3178.562.3000110.4L585 I612 L631 T652 A653 T658 V659 L660L585-L656 HydrophobicContact CD1-CD1 4.1Å; I612-L656 HydrophobicContact CD1-CD2 3.92Å; I612-L656 HydrophobicContact CG1-CD1 4.15Å; I612-L656 HydrophobicContact CG1-CD2 3.97Å; L631-L656 HydrophobicContact CD1-CB 4.31Å; L631-L656 HydrophobicContact CD2-CD2 4.43Å; T652-L656 PolarHBondContact O-N 3.44Å; A653-L656 PolarHBondContact O-N 3.06Å; L656-T658 VanDerWaalsContact C-N 3.32Å; L656-T658 PolarHBondContact O-N 2.83Å; L656-V659 PolarHBondContact O-N 3.24Å; L656-V659 VanDerWaalsContact O-N 3.15Å; L656-L660 HydrophobicContact CD1-CD1 4.34Å; L656-L660 HydrophobicContact CD1-CG 4.21Å; L656-L660 HydrophobicContact CG-CD1 4.01Å; L656-L660 HydrophobicContact CG-CG 4.35Å; L656-L660 WeakPolarHBondContact O-CB 3.36Å; L656-L660 VanDerWaalsContact O-CG 3.23Å; L656-L660 WeakPolarHBondContact O-CG 3.37Å; L656-L660 PolarHBondContact O-N 2.86Å
657S87.6Confident88.4Confident50 Ų5041.7 Ų41.735%0.3521%0.214SC..Hα-helixtrans-57.9-40.4177.3-59.60000113A653 H654 W655 K661A653-S657 WeakPolarHBondContact O-CB 3.13Å; A653-S657 PolarHBondContact O-N 2.91Å; A653-S657 PolarHBondContact O-OG 3.23Å; H654-S657 WeakPolarHBondContact O-CB 3.44Å; H654-S657 PolarHBondContact O-N 3.23Å; W655-S657 VanDerWaalsContact C-N 3.31Å; W655-S657 PolarHBondContact O-N 2.89Å; S657-K661 WeakPolarHBondContact O-CB 3.41Å; S657-K661 VanDerWaalsContact O-CG 3.3Å; S657-K661 WeakPolarHBondContact O-CG 3.41Å; S657-K661 PolarHBondContact O-N 2.64Å
658T86.3Confident88.4Confident27 Ų2739.7 Ų39.717%0.16619%0.192CC..Hα-helixtrans-69.1-39.5175.2-66.50000112.5H654 W655 L656 K661 K662 H673H654-T658 PolarHBondContact O-N 2.77Å; H654-T658 PolarHBondContact O-OG1 3.45Å; W655-T658 PolarHBondContact O-N 2.98Å; L656-T658 VanDerWaalsContact C-N 3.32Å; L656-T658 PolarHBondContact O-N 2.83Å; T658-K661 PolarHBondContact O-N 3.09Å; T658-K662 HydrophobicContact CG2-CD 4.06Å; T658-K662 WeakPolarHBondContact O-CB 3.43Å; T658-K662 WeakPolarHBondContact O-CG 3.45Å; T658-K662 PolarHBondContact O-N 3.27Å; T658-H673 WeakPolarHBondContact CB-NE2 3.46Å; T658-H673 PolarHBondContact OG1-NE2 2.97Å
659V88.3Confident88.2Confident0 Ų040.1 Ų40.10%020%0.195CC..Hα-helixtrans-67.5-39.9176.9161.90000112.1F584 L585 W655 L656 K662 K663 K664 V666F584-V659 HydrophobicContact CD2-CG1 3.73Å; F584-V659 HydrophobicContact CE2-CG1 3.78Å; L585-V659 HydrophobicContact CD2-CG1 3.9Å; W655-V659 HydrophobicContact CD2-CG2 4.16Å; W655-V659 HydrophobicContact CH2-CG2 4.11Å; W655-V659 HydrophobicContact CZ2-CB 4.48Å; W655-V659 HydrophobicContact CZ2-CG2 3.54Å; W655-V659 PolarHBondContact O-N 3.35Å; L656-V659 PolarHBondContact O-N 3.24Å; L656-V659 VanDerWaalsContact O-N 3.15Å; V659-K662 PolarHBondContact O-N 2.77Å; V659-K663 PolarHBondContact O-N 2.64Å; V659-K664 PolarHBondContact O-N 3.34Å; V659-V666 HydrophobicContact CG2-CG2 4.02Å
660L84.5Confident88Confident49 Ų4942.9 Ų42.926%0.25721%0.205SC..Hα-helixtrans-60.8-48.7171.9-66.7170.3000111.1F584 V611 L656 K662 K663F584-L660 HydrophobicContact CE2-CD2 4.03Å; F584-L660 HydrophobicContact CZ-CD2 3.87Å; V611-L660 HydrophobicContact CG1-CD1 3.62Å; V611-L660 HydrophobicContact CG1-CD2 3.52Å; V611-L660 HydrophobicContact CG1-CG 4.24Å; L656-L660 HydrophobicContact CD1-CD1 4.34Å; L656-L660 HydrophobicContact CD1-CG 4.21Å; L656-L660 HydrophobicContact CG-CD1 4.01Å; L656-L660 HydrophobicContact CG-CG 4.35Å; L656-L660 WeakPolarHBondContact O-CB 3.36Å; L656-L660 VanDerWaalsContact O-CG 3.23Å; L656-L660 WeakPolarHBondContact O-CG 3.37Å; L656-L660 PolarHBondContact O-N 2.86Å; L660-K662 VanDerWaalsContact C-N 3.32Å; L660-K662 PolarHBondContact O-N 3.3Å; L660-K663 PolarHBondContact O-N 3.24Å
661K82.9Confident88Confident182 Ų18242.9 Ų42.979%0.79121%0.205SC*.Hα-helixtrans-60.3-37.4176.3-75.8174.9179.9-179.10112.9S657 T658S657-K661 WeakPolarHBondContact O-CB 3.41Å; S657-K661 VanDerWaalsContact O-CG 3.3Å; S657-K661 WeakPolarHBondContact O-CG 3.41Å; S657-K661 PolarHBondContact O-N 2.64Å; T658-K661 PolarHBondContact O-N 3.09Å
662K80.8Confident87.8Confident115 Ų11543 Ų4350%0.521%0.205SC..Hα-helixtrans-85.7-4.4179.4-71.2-177174.6-177.70114.1T658 V659 L660 K664 V666 H669T658-K662 HydrophobicContact CG2-CD 4.06Å; T658-K662 WeakPolarHBondContact O-CB 3.43Å; T658-K662 WeakPolarHBondContact O-CG 3.45Å; T658-K662 PolarHBondContact O-N 3.27Å; V659-K662 PolarHBondContact O-N 2.77Å; L660-K662 VanDerWaalsContact C-N 3.32Å; L660-K662 PolarHBondContact O-N 3.3Å; K662-K664 WeakPolarHBondContact O-CB 3.28Å; K662-K664 PolarHBondContact O-N 3.37Å; K662-V666 HydrophobicContact CD-CG2 4.27Å; K662-H669 PolarHBondContact NZ-NE2 2.73Å
663K85Confident87.9Confident93 Ų9343 Ų4340%0.40421%0.205SC..THydrogen-bonded Turntrans45.332.3-171.8-74-167.5163.5-150.70114.2Q581 D582 F584 V659 L660Q581-K663 HydrophobicContact CB-CD 4.2Å; Q581-K663 WeakPolarHBondContact O-CD 3.41Å; D582-K663 IonicContact OD1-NZ 2.9Å; D582-K663 PolarHBondContact OD1-NZ 3.11Å; F584-K663 WeakPolarHBondContact CB-O 3.47Å; F584-K663 VanDerWaalsContact CD1-C 3.41Å; F584-K663 HydrophobicContact CD1-CB 4.08Å; F584-K663 WeakPolarHBondContact CD1-O 3.16Å; F584-K663 HydrophobicContact CE1-CB 4.05Å; F584-K663 HydrophobicContact CE1-CG 4.07Å; F584-K663 VanDerWaalsContact CG-C 3.44Å; F584-K663 WeakPolarHBondContact CG-O 3.49Å; V659-K663 PolarHBondContact O-N 2.64Å; L660-K663 PolarHBondContact O-N 3.24Å
664K85.4Confident88.1Confident140 Ų14042.6 Ų42.661%0.60920%0.202SC*.SBendtrans-156.2129.3-171.6-174.1170.9-176.8169.90111V659 K662 V666V659-K664 PolarHBondContact O-N 3.34Å; K662-K664 WeakPolarHBondContact O-CB 3.28Å; K662-K664 PolarHBondContact O-N 3.37Å; K664-V666 HydrophobicContact CB-CG1 4.48Å; K664-V666 HydrophobicContact CD-CG1 4.42Å; K664-V666 HydrophobicContact CG-CG1 4.13Å; K664-V666 PolarHBondContact O-N 3.13Å
665M85.9Confident88.2Confident7 Ų739.9 Ų39.93%0.03419%0.189CC..  trans-66.7115.1171.4-178.4160.769.800110.2G572 H573 C588 W655 W793 V797G572-M665 VanDerWaalsContact C-CE 3.41Å; G572-M665 WeakPolarHBondContact O-CE 3.48Å; H573-M665 WeakPolarHBondContact CE1-CE 3.26Å; C588-M665 PolarHBondContact SG-SD 3.22Å; W655-M665 HydrophobicContact CH2-CG 4.41Å; W655-M665 HydrophobicContact CH2-SD 4.46Å; W655-M665 HydrophobicContact CZ2-CG 4.12Å; M665-W793 HydrophobicContact CG-CZ3 4.31Å; M665-V797 HydrophobicContact CE-CB 3.69Å; M665-V797 HydrophobicContact CE-CG1 4.33Å; M665-V797 HydrophobicContact CE-CG2 3.58Å
666V87.8Confident88.1Confident30 Ų3040.1 Ų40.118%0.18219%0.19CC..  trans-128.1147.7179-66.30000110.6W655 V659 K662 K664W655-V666 PolarHBondContact NE1-O 3.01Å; V659-V666 HydrophobicContact CG2-CG2 4.02Å; K662-V666 HydrophobicContact CD-CG2 4.27Å; K664-V666 HydrophobicContact CB-CG1 4.48Å; K664-V666 HydrophobicContact CD-CG1 4.42Å; K664-V666 HydrophobicContact CG-CG1 4.13Å; K664-V666 PolarHBondContact O-N 3.13Å
667P88.3Confident88.1Confident30 Ų3041.1 Ų41.120%0.19520%0.199CC..  trans-59.4157.2175.5-25.134.9000113.9L570 H669 W793L570-P667 HydrophobicContact CB-CB 4.14Å; L570-P667 HydrophobicContact CB-CG 3.74Å; L570-P667 HydrophobicContact CD1-CB 4.37Å; P667-H669 PolarHBondContact O-N 3.04Å; P667-H669 PolarHBondContact O-ND1 3.01Å; P667-W793 HydrophobicContact CB-CD2 4.36Å; P667-W793 HydrophobicContact CB-CE3 4Å; P667-W793 HydrophobicContact CG-CE3 4.04Å
668P89.9Confident88.1Confident7 Ų739.7 Ų39.75%0.04519%0.186CC..  trans-59.1114.1173.8-27.437.2000113.6V651 H673 L674 L790 W793V651-P668 HydrophobicContact CG1-CG 3.81Å; P668-H673 HydrophobicContact CB-CB 3.84Å; P668-L674 HydrophobicContact CB-CD1 4.42Å; P668-L674 HydrophobicContact CB-CD2 3.57Å; P668-L674 HydrophobicContact CB-CG 3.87Å; P668-L674 HydrophobicContact CG-CD2 3.72Å; P668-L790 HydrophobicContact CB-CD2 4.45Å; P668-L790 HydrophobicContact CG-CD2 4.47Å; P668-W793 HydrophobicContact CG-CZ2 4.15Å
669H88.1Confident87.7Confident35 Ų3541.2 Ų41.216%0.16220%0.197CC..  trans-125.526.2-177.657.8-78.6000113.7K662 P667 H673 M780K662-H669 PolarHBondContact NZ-NE2 2.73Å; P667-H669 PolarHBondContact O-N 3.04Å; P667-H669 PolarHBondContact O-ND1 3.01Å; H669-H673 AromaticContact CE1-CE1 3.65Å; H669-H673 PolarHBondContact N-ND1 3.12Å; H669-H673 AromaticContact ND1-CE1 3.94Å; H669-H673 AromaticContact NE2-CE1 3.77Å; H669-M780 VanDerWaalsContact C-SD 3.55Å; H669-M780 VanDerWaalsContact CA-SD 3.57Å; H669-M780 HydrophobicContact CB-SD 3.84Å; H669-M780 VanDerWaalsContact O-SD 3.32Å
670R90.1Very high86.8Confident67 Ų6746 Ų4625%0.25323%0.228SC..SBendtrans-150.8149.2170.8-68.8-168168.2-135.8-13107.8L672 H673 D699 D702 L779R670-L672 VanDerWaalsContact C-N 3.31Å; R670-L672 PolarHBondContact O-N 3.07Å; R670-H673 PolarHBondContact N-ND1 3.19Å; R670-H673 VanDerWaalsContact N-ND1 3.17Å; R670-H673 VanDerWaalsContact O-CB 3.27Å; R670-H673 WeakPolarHBondContact O-CB 3.48Å; R670-H673 PolarHBondContact O-N 3.22Å; R670-D699 IonicContact CZ-OD1 2.68Å; R670-D699 IonicContact NH1-OD1 3.68Å; R670-D699 PolarHBondContact NH1-OD1 3.17Å; R670-D699 IonicContact NH2-OD1 3.44Å; R670-D699 PolarHBondContact NH2-OD1 3.1Å; R670-D702 WeakPolarHBondContact CD-OD2 3.08Å; R670-D702 IonicContact CZ-OD2 2.71Å; R670-D702 IonicContact NE-OD2 2.82Å; R670-D702 IonicContact NH1-OD2 3.88Å; R670-D702 PolarHBondContact NH1-OD2 2.83Å; R670-L779 WeakPolarHBondContact CA-O 3.45Å
671T91.8Very high86.1Confident0 Ų046.9 Ų46.90%025%0.249CC..G310 helixtrans-58.5-41.7-179.6-63.80000112.6H673 L674 M706 C752 L755 L756 L779T671-H673 PolarHBondContact O-N 3.17Å; T671-H673 VanDerWaalsContact O-N 3.09Å; T671-L674 PolarHBondContact O-N 3.01Å; T671-L674 VanDerWaalsContact O-N 3.11Å; T671-M706 HydrophobicContact CG2-CE 4.18Å; T671-C752 HydrophobicContact CG2-CB 4.31Å; T671-C752 WeakPolarHBondContact OG1-CB 3.45Å; T671-C752 PolarHBondContact OG1-SG 2.92Å; T671-C752 VanDerWaalsContact OG1-SG 3.38Å; T671-L755 HydrophobicContact CG2-CB 3.96Å; T671-L755 HydrophobicContact CG2-CD2 4.43Å; T671-L756 HydrophobicContact CG2-CD1 4Å; T671-L756 HydrophobicContact CG2-CD2 4.12Å; T671-L756 HydrophobicContact CG2-CG 3.83Å; T671-L779 PolarHBondContact N-O 3.47Å; T671-L779 PolarHBondContact OG1-O 2.88Å
672L91.3Very high85.9Confident2 Ų240 Ų401%0.0123%0.226CC..G310 helixtrans-62.3-15.7177-73.9175.6000114.9T652 H654 R670 L674 F676 D702 L705 M706 L709 L755T652-L672 WeakPolarHBondContact CG2-O 3.29Å; T652-L672 PolarHBondContact OG1-O 2.93Å; H654-L672 HydrophobicContact CB-CB 4.29Å; R670-L672 VanDerWaalsContact C-N 3.31Å; R670-L672 PolarHBondContact O-N 3.07Å; L672-L674 PolarHBondContact O-N 3.31Å; L672-F676 HydrophobicContact CD2-CE1 4.03Å; L672-F676 HydrophobicContact CD2-CZ 3.82Å; L672-D702 HydrophobicContact CD1-CB 3.82Å; L672-D702 WeakPolarHBondContact CD1-OD1 3.4Å; L672-L705 HydrophobicContact CD1-CD2 4.14Å; L672-L705 HydrophobicContact CD2-CD2 4.48Å; L672-L705 HydrophobicContact CD2-CG 4.47Å; L672-M706 HydrophobicContact CD1-CG 4.02Å; L672-M706 HydrophobicContact CD2-CG 3.58Å; L672-M706 HydrophobicContact CG-CG 3.66Å; L672-M706 HydrophobicContact CG-SD 4.13Å; L672-L709 HydrophobicContact CD2-CD1 3.66Å; L672-L755 HydrophobicContact CD2-CD2 4.35Å
673H93.4Very high86.3Confident3 Ų340.6 Ų40.61%0.01423%0.228CC..G310 helixtrans-73.5-14.4175.8-65.1157.8000113.4V651 T652 W655 T658 P668 H669 R670 T671V651-H673 WeakPolarHBondContact CA-O 3.37Å; T652-H673 PolarHBondContact N-O 3.19Å; T652-H673 VanDerWaalsContact N-O 3.1Å; W655-H673 VanDerWaalsContact CA-CD2 3.43Å; W655-H673 WeakPolarHBondContact CA-CD2 3.26Å; W655-H673 HydrophobicContact CB-CB 3.82Å; W655-H673 HydrophobicContact CG-CB 4.41Å; W655-H673 PolarHBondContact N-CD2 3.19Å; T658-H673 WeakPolarHBondContact CB-NE2 3.46Å; T658-H673 PolarHBondContact OG1-NE2 2.97Å; P668-H673 HydrophobicContact CB-CB 3.84Å; H669-H673 AromaticContact CE1-CE1 3.65Å; H669-H673 PolarHBondContact N-ND1 3.12Å; H669-H673 AromaticContact ND1-CE1 3.94Å; H669-H673 AromaticContact NE2-CE1 3.77Å; R670-H673 PolarHBondContact N-ND1 3.19Å; R670-H673 VanDerWaalsContact N-ND1 3.17Å; R670-H673 VanDerWaalsContact O-CB 3.27Å; R670-H673 WeakPolarHBondContact O-CB 3.48Å; R670-H673 PolarHBondContact O-N 3.22Å; T671-H673 PolarHBondContact O-N 3.17Å; T671-H673 VanDerWaalsContact O-N 3.09Å
674L93.6Very high86.5Confident0 Ų037.8 Ų37.80%022%0.22CC..SBendtrans-113.9147.7-174.7-65.6174.2000111.2T652 P668 T671 L672 F676 L756 P781 V786 L789T652-L674 VanDerWaalsContact CG2-C 3.44Å; T652-L674 WeakPolarHBondContact CG2-O 3.47Å; P668-L674 HydrophobicContact CB-CD1 4.42Å; P668-L674 HydrophobicContact CB-CD2 3.57Å; P668-L674 HydrophobicContact CB-CG 3.87Å; P668-L674 HydrophobicContact CG-CD2 3.72Å; T671-L674 PolarHBondContact O-N 3.01Å; T671-L674 VanDerWaalsContact O-N 3.11Å; L672-L674 PolarHBondContact O-N 3.31Å; L674-F676 WeakPolarHBondContact O-CE1 3.31Å; L674-L756 HydrophobicContact CB-CD2 4.36Å; L674-P781 HydrophobicContact CD1-CB 4.02Å; L674-P781 HydrophobicContact CD1-CG 4Å; L674-V786 HydrophobicContact CD1-CB 3.84Å; L674-V786 HydrophobicContact CD1-CG1 3.56Å; L674-V786 HydrophobicContact CD1-CG2 4.32Å; L674-L789 HydrophobicContact CB-CD1 4.29Å; L674-L789 HydrophobicContact CD1-CD1 4.24Å; L674-L789 HydrophobicContact CD2-CB 4.24Å; L674-L789 HydrophobicContact CD2-CD1 4.33Å
675P91.1Very high86.8Confident0 Ų031.1 Ų31.10%019%0.191CC..  trans-64.3151.5-179.6-19.332.4000112.4C632 E633 Q635 Y640 C650C632-P675 WeakPolarHBondContact SG-CG 3.49Å; E633-P675 WeakPolarHBondContact O-CA 3.41Å; Q635-P675 HydrophobicContact CG-CB 3.95Å; Q635-P675 WeakPolarHBondContact CG-O 3.02Å; Q635-P675 PolarHBondContact NE2-O 3.15Å; Y640-P675 HydrophobicContact CD2-CG 4.35Å; Y640-P675 HydrophobicContact CE2-CB 4.48Å; Y640-P675 HydrophobicContact CE2-CG 4.22Å; C650-P675 HydrophobicContact CB-CG 4.23Å
676F89.7Confident87Confident5 Ų534.2 Ų34.22%0.02221%0.213CC..BIsolated β-bridgetrans-88.3142.8-173.3-46.7-49.1000112.5E633 Q635 L672 L674 F678 L709 L755E633-F676 HydrophobicContact CG-CD2 3.73Å; E633-F676 HydrophobicContact CG-CE2 3.63Å; E633-F676 WeakPolarHBondContact O-CD2 3.45Å; E633-F676 PolarHBondContact O-N 2.71Å; Q635-F676 WeakPolarHBondContact CG-O 3.16Å; Q635-F676 PolarHBondContact N-O 2.64Å; L672-F676 HydrophobicContact CD2-CE1 4.03Å; L672-F676 HydrophobicContact CD2-CZ 3.82Å; L674-F676 WeakPolarHBondContact O-CE1 3.31Å; F676-F678 HydrophobicContact CB-CE1 4.46Å; F676-F678 HydrophobicContact CB-CZ 4.36Å; F676-F678 PolarHBondContact O-N 3.31Å; F676-L709 HydrophobicContact CD2-CD1 4.45Å; F676-L709 HydrophobicContact CD2-CD2 4.36Å; F676-L709 HydrophobicContact CE1-CD1 4.42Å; F676-L709 HydrophobicContact CE2-CD1 3.59Å; F676-L709 HydrophobicContact CE2-CD2 3.9Å; F676-L709 HydrophobicContact CE2-CG 4.28Å; F676-L709 HydrophobicContact CZ-CD1 3.59Å; F676-L755 WeakPolarHBondContact CA-O 3.31Å; F676-L755 HydrophobicContact CD1-CB 4.26Å; F676-L755 HydrophobicContact CD1-CD2 3.86Å; F676-L755 HydrophobicContact CD1-CG 4.29Å; F676-L755 HydrophobicContact CE1-CD2 3.82Å
677A88.6Confident87.1Confident22 Ų2241.1 Ų41.118%0.18224%0.243CC..SBendtrans-7613.8-168.500000115.9L755 G757A677-L755 PolarHBondContact N-O 2.72Å; A677-G757 VanDerWaalsContact CB-N 3.31Å
678F87.2Confident87.3Confident19 Ų1941.1 Ų41.18%0.08324%0.241CC..SBendtrans-141.8154.8-176.349.9-98.8000111.5S634 F676 A682 P684 L709 F759S634-F678 PolarHBondContact OG-O 2.91Å; F676-F678 HydrophobicContact CB-CE1 4.46Å; F676-F678 HydrophobicContact CB-CZ 4.36Å; F676-F678 PolarHBondContact O-N 3.31Å; F678-A682 HydrophobicContact CB-CB 4.08Å; F678-A682 HydrophobicContact CD2-CB 4.3Å; F678-A682 VanDerWaalsContact CD2-O 3.31Å; F678-A682 WeakPolarHBondContact CD2-O 3.46Å; F678-A682 WeakPolarHBondContact CE2-O 3.02Å; F678-P684 HydrophobicContact CD1-CG 4.02Å; F678-P684 HydrophobicContact CE1-CG 3.77Å; F678-P684 HydrophobicContact CZ-CG 4.05Å; F678-L709 WeakPolarHBondContact CE2-O 3.07Å; F678-F759 HydrophobicContact CB-CZ 4.37Å; F678-F759 HydrophobicContact CD1-CE1 4.07Å; F678-F759 HydrophobicContact CD1-CZ 4.08Å
679P77.8Confident87.4Confident59 Ų5941.4 Ų41.438%0.38324%0.242SC..  trans-66151.6178.421.6-29000112.1V636 G681 A682V636-P679 HydrophobicContact CG2-CB 3.65Å; V636-P679 HydrophobicContact CG2-CG 4.24Å; P679-G681 PolarHBondContact O-N 3.34Å; P679-A682 HydrophobicContact CG-CB 3.85Å; P679-A682 WeakPolarHBondContact O-CB 3.4Å; P679-A682 PolarHBondContact O-N 2.86Å
680P70.1Confident87.6Confident102 Ų10239.8 Ų39.866%0.66223%0.234SC*.THydrogen-bonded Turntrans-49.8127.5166.2-26.335.4000111.1
681G70Confident87.6Confident67 Ų6736.6 Ų36.669%0.69122%0.222SC*.THydrogen-bonded Turntrans93.3-17.3-176.400000115.6P679 K683P679-G681 PolarHBondContact O-N 3.34Å; G681-K683 PolarHBondContact O-N 3.36Å
682A79Confident87.5Confident38 Ų3836.7 Ų36.731%0.31422%0.223SC..  trans-72.5120165.200000109.4F678 P679 P684F678-A682 HydrophobicContact CB-CB 4.08Å; F678-A682 HydrophobicContact CD2-CB 4.3Å; F678-A682 VanDerWaalsContact CD2-O 3.31Å; F678-A682 WeakPolarHBondContact CD2-O 3.46Å; F678-A682 WeakPolarHBondContact CE2-O 3.02Å; P679-A682 HydrophobicContact CG-CB 3.85Å; P679-A682 WeakPolarHBondContact O-CB 3.4Å; P679-A682 PolarHBondContact O-N 2.86Å; A682-P684 WeakPolarHBondContact O-CD 3.44Å
683K87.3Confident87.2Confident126 Ų12637 Ų3755%0.54823%0.225SC..  trans-115.576.7-174-70.3-174.6179.4-176.50110.6G681 C685 S686 A710G681-K683 PolarHBondContact O-N 3.36Å; K683-C685 PolarHBondContact O-N 3.13Å; K683-S686 WeakPolarHBondContact O-CB 3.3Å; K683-S686 PolarHBondContact O-N 2.66Å; K683-S686 PolarHBondContact O-OG 2.73Å; K683-A710 CarbonylContact C-O 3.59Å
684P89.6Confident86.5Confident35 Ų3537 Ų3723%0.22723%0.226CC..THydrogen-bonded Turntrans-59.2-30.7-17423.7-34.9000113.5F678 A682 A710 I754 F759 L762F678-P684 HydrophobicContact CD1-CG 4.02Å; F678-P684 HydrophobicContact CE1-CG 3.77Å; F678-P684 HydrophobicContact CZ-CG 4.05Å; A682-P684 WeakPolarHBondContact O-CD 3.44Å; P684-A710 VanDerWaalsContact CD-O 3.29Å; P684-A710 WeakPolarHBondContact CD-O 3.49Å; P684-A710 HydrophobicContact CG-CB 4.43Å; P684-I754 HydrophobicContact CB-CG2 4.31Å; P684-I754 HydrophobicContact CG-CG2 4.14Å; P684-F759 HydrophobicContact CB-CD1 4.06Å; P684-F759 HydrophobicContact CB-CE1 3.89Å; P684-F759 HydrophobicContact CG-CE1 4.16Å; P684-L762 HydrophobicContact CB-CD1 4.29Å
685C92.4Very high85.9Confident0 Ų037.3 Ų37.30%023%0.227CC..THydrogen-bonded Turntrans-97.816.4177.7-65.30000113.7K683 Q687 H688 A710 A712K683-C685 PolarHBondContact O-N 3.13Å; C685-Q687 PolarHBondContact O-N 3.21Å; C685-H688 HydrophobicContact CB-CB 4.39Å; C685-H688 WeakPolarHBondContact O-CB 3.41Å; C685-H688 PolarHBondContact O-N 3.28Å; C685-A710 HydrophobicContact CB-CB 3.89Å; C685-A710 WeakPolarHBondContact CB-O 3.21Å; C685-A710 PolarHBondContact N-O 2.68Å; C685-A712 HydrophobicContact CB-CB 3.61Å; C685-A712 WeakPolarHBondContact O-CA 3.19Å
686S90.6Very high85.1Confident72 Ų7241 Ų4150%0.50325%0.246SC..THydrogen-bonded Turntrans-53.5-24.3-177.245.80000116.1K683 G711K683-S686 WeakPolarHBondContact O-CB 3.3Å; K683-S686 PolarHBondContact O-N 2.66Å; K683-S686 PolarHBondContact O-OG 2.73Å; S686-G711 WeakPolarHBondContact CA-O 3.47Å
687Q89.6Confident84.1Confident174 Ų17443.5 Ų43.581%0.81326%0.259SS*.THydrogen-bonded Turntrans-89.3-9176.9-59.7-175.6600113.5C685C685-Q687 PolarHBondContact O-N 3.21Å
688H92.9Very high83.4Confident30 Ų3045.6 Ų45.614%0.13928%0.276CS..  trans-94.8140.8-174.6-70.2-53.4000113C685 L690 R713 T723 W750C685-H688 HydrophobicContact CB-CB 4.39Å; C685-H688 WeakPolarHBondContact O-CB 3.41Å; C685-H688 PolarHBondContact O-N 3.28Å; H688-L690 HydrophobicContact CB-CD2 3.94Å; H688-L690 HydrophobicContact CB-CG 4.5Å; H688-R713 PolarHBondContact O-N 2.9Å; H688-T723 VanDerWaalsContact CA-OG1 3.26Å; H688-T723 WeakPolarHBondContact CA-OG1 3.44Å; H688-T723 WeakPolarHBondContact CB-OG1 3.37Å; H688-T723 PolarHBondContact ND1-OG1 2.8Å; H688-W750 AromaticContact CD2-CH2 3.94Å
689I91.1Very high83.3Confident14 Ų1445.6 Ų45.67%0.07228%0.277CS..EExtended strand (participates in β ladder)trans-120.2103.5173.3-47.9-175000107R713 T715 N722 T723 H1012I689-R713 CarbonylContact C-O 3.59Å; I689-R713 WeakPolarHBondContact CA-O 3.34Å; I689-R713 HydrophobicContact CB-CB 4.46Å; I689-R713 HydrophobicContact CG1-CB 4.26Å; I689-R713 HydrophobicContact CG2-CB 4.19Å; I689-T715 HydrophobicContact CG2-CG2 3.86Å; I689-N722 WeakPolarHBondContact O-CA 3.29Å; I689-N722 PolarHBondContact O-ND2 2.82Å; I689-N722 VanDerWaalsContact O-ND2 3.15Å; I689-T723 PolarHBondContact N-OG1 3.36Å; I689-T723 PolarHBondContact O-N 2.94Å; I689-T723 PolarHBondContact O-OG1 2.78Å; I689-H1012 HydrophobicContact CD1-CB 3.58Å
690L93.2Very high83.6Confident0 Ų044 Ų440%026%0.263CS..EExtended strand (participates in β ladder)trans-96.4140.9-170.9-52-177.5000110.7H688 A707 A712 R713 Y714 T715 V724 I726 W750 L751H688-L690 HydrophobicContact CB-CD2 3.94Å; H688-L690 HydrophobicContact CB-CG 4.5Å; L690-A707 HydrophobicContact CD1-CB 3.9Å; L690-A712 HydrophobicContact CD1-CB 3.57Å; L690-A712 HydrophobicContact CG-CB 3.85Å; L690-R713 PolarHBondContact N-O 2.98Å; L690-Y714 CarbonylContact O-C 3.51Å; L690-Y714 WeakPolarHBondContact O-CA 3.27Å; L690-T715 PolarHBondContact O-N 2.73Å; L690-V724 HydrophobicContact CD2-CB 3.73Å; L690-V724 HydrophobicContact CD2-CG1 4.36Å; L690-V724 HydrophobicContact CD2-CG2 4.31Å; L690-I726 HydrophobicContact CD1-CD1 4.21Å; L690-W750 HydrophobicContact CD1-CZ3 4.2Å; L690-W750 HydrophobicContact CD2-CH2 3.96Å; L690-W750 HydrophobicContact CD2-CZ3 3.68Å; L690-L751 HydrophobicContact CD1-CD1 4.38Å; L690-L751 HydrophobicContact CD1-CD2 4.44Å
691S89.5Confident84.2Confident0 Ų042.6 Ų42.60%025%0.25CS..EExtended strand (participates in β ladder)trans-122.7161.6161.8-164.90000109.9T715 Y717 V724 I726S691-T715 WeakPolarHBondContact CA-O 3.38Å; S691-T715 VanDerWaalsContact CB-O 3.31Å; S691-T715 WeakPolarHBondContact CB-O 3.21Å; S691-T715 PolarHBondContact OG-O 3.41Å; S691-Y717 PolarHBondContact OG-O 2.79Å; S691-Y717 VanDerWaalsContact OG-O 3.08Å; S691-V724 PolarHBondContact N-O 2.77Å; S691-I726 PolarHBondContact O-N 3.44Å
692V90.6Very high85.1Confident2 Ų241 Ų411%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-131.2140-173.3176.30000110.3F695 R700 L703 Y714 I726V692-F695 HydrophobicContact CG1-CB 4.18Å; V692-F695 HydrophobicContact CG1-CD2 3.43Å; V692-F695 VanDerWaalsContact CG1-CD2 3.43Å; V692-F695 HydrophobicContact CG1-CE2 4.15Å; V692-F695 HydrophobicContact CG1-CG 4.13Å; V692-R700 HydrophobicContact CG1-CG 4.48Å; V692-L703 HydrophobicContact CG1-CD1 3.82Å; V692-L703 HydrophobicContact CG2-CB 4.28Å; V692-L703 HydrophobicContact CG2-CD1 4.35Å; V692-Y714 HydrophobicContact CB-CE2 4.05Å; V692-Y714 HydrophobicContact CG2-CD2 4.29Å; V692-Y714 HydrophobicContact CG2-CE2 3.63Å; V692-I726 CarbonylContact C-O 3.27Å; V692-I726 WeakPolarHBondContact CA-O 3.3Å; V692-I726 HydrophobicContact CG2-CB 4.27Å
693T84.6Confident85.8Confident9 Ų939.3 Ų39.36%0.05521%0.212CC..EExtended strand (participates in β ladder)trans-147.3148.4177.7-171.30000112.3D55 F695 L725 I726 C727 K728 K734D55-T693 WeakPolarHBondContact OD2-CA 3.32Å; D55-T693 VanDerWaalsContact OD2-CB 3.29Å; D55-T693 WeakPolarHBondContact OD2-CB 3.25Å; D55-T693 PolarHBondContact OD2-OG1 2.98Å; T693-F695 VanDerWaalsContact C-N 3.35Å; T693-F695 WeakPolarHBondContact O-CD2 3.35Å; T693-F695 WeakPolarHBondContact O-CE2 3.44Å; T693-F695 PolarHBondContact O-N 3.46Å; T693-L725 HydrophobicContact CG2-CD1 4.04Å; T693-L725 HydrophobicContact CG2-CD2 4.05Å; T693-L725 HydrophobicContact CG2-CG 4.19Å; T693-I726 PolarHBondContact N-O 2.86Å; T693-C727 HydrophobicContact CG2-CB 3.92Å; T693-C727 WeakPolarHBondContact O-CA 3.16Å; T693-K728 PolarHBondContact O-N 3.01Å; T693-K728 VanDerWaalsContact O-N 3.1Å; T693-K734 HydrophobicContact CG2-CB 4.22Å
694G77.5Confident85.8Confident4 Ų435.8 Ų35.84%0.04120%0.196CC..SBendtrans79.12.1-178.600000116.5S95 K728S95-G694 WeakPolarHBondContact OG-CA 3.36Å; G694-K728 VanDerWaalsContact O-CB 3.3Å; G694-K728 WeakPolarHBondContact O-CB 3.42Å; G694-K728 WeakPolarHBondContact O-CD 3.29Å
695F82.3Confident85.8Confident5 Ų536.3 Ų36.32%0.02220%0.197CC..  trans-102.3135.9178.7-63.3-92.8000112.2V692 T693 D699 R700 L703 I726 K728 A748 P778V692-F695 HydrophobicContact CG1-CB 4.18Å; V692-F695 HydrophobicContact CG1-CD2 3.43Å; V692-F695 VanDerWaalsContact CG1-CD2 3.43Å; V692-F695 HydrophobicContact CG1-CE2 4.15Å; V692-F695 HydrophobicContact CG1-CG 4.13Å; T693-F695 VanDerWaalsContact C-N 3.35Å; T693-F695 WeakPolarHBondContact O-CD2 3.35Å; T693-F695 WeakPolarHBondContact O-CE2 3.44Å; T693-F695 PolarHBondContact O-N 3.46Å; F695-D699 HydrophobicContact CB-CB 4.39Å; F695-D699 HydrophobicContact CD1-CB 4.17Å; F695-R700 HydrophobicContact CB-CB 4.29Å; F695-R700 PolarHBondContact O-NE 2.83Å; F695-R700 VanDerWaalsContact O-NE 3.12Å; F695-R700 PolarHBondContact O-NH2 3.38Å; F695-L703 HydrophobicContact CB-CD1 4.4Å; F695-L703 HydrophobicContact CD1-CD1 3.79Å; F695-L703 HydrophobicContact CD2-CD1 3.72Å; F695-L703 HydrophobicContact CE1-CD1 3.9Å; F695-L703 HydrophobicContact CE2-CD1 3.82Å; F695-L703 HydrophobicContact CG-CD1 3.7Å; F695-L703 HydrophobicContact CZ-CD1 3.93Å; F695-I726 HydrophobicContact CE2-CG2 3.93Å; F695-I726 HydrophobicContact CZ-CG2 4.18Å; F695-K728 HydrophobicContact CD1-CB 4.29Å; F695-K728 HydrophobicContact CD2-CB 4.16Å; F695-K728 HydrophobicContact CE1-CB 4.04Å; F695-K728 HydrophobicContact CE1-CG 4.34Å; F695-K728 HydrophobicContact CE2-CB 3.93Å; F695-K728 HydrophobicContact CG-CB 4.35Å; F695-K728 HydrophobicContact CZ-CB 3.85Å; F695-A748 HydrophobicContact CE1-CB 4.05Å; F695-A748 HydrophobicContact CZ-CB 3.84Å; F695-P778 HydrophobicContact CD1-CG 4.48Å; F695-P778 HydrophobicContact CE1-CB 4Å; F695-P778 HydrophobicContact CE1-CG 3.86Å
696M73.1Confident85.7Confident79 Ų7936.3 Ų36.339%0.38920%0.197SC..  trans-67.6155.9171.9-61.3178.5-61.700111.1A698 D699 R700M696-A698 PolarHBondContact O-N 2.96Å; M696-A698 VanDerWaalsContact O-N 3.17Å; M696-D699 PolarHBondContact O-N 2.73Å; M696-R700 WeakPolarHBondContact O-CB 3.33Å; M696-R700 PolarHBondContact O-N 3.3Å
697D68.4Low85.8Confident57 Ų5733 Ų3331%0.30517%0.174SC..Hα-helixtrans-40.2-57-173.6-51.1-29.8000114.5R63 D699 R700 D701R63-D697 IonicContact CZ-OD2 2.61Å; R63-D697 IonicContact NE-OD1 2.64Å; R63-D697 IonicContact NE-OD2 3.67Å; R63-D697 PolarHBondContact NE-OD2 2.97Å; R63-D697 IonicContact NH2-OD2 3.42Å; R63-D697 PolarHBondContact NH2-OD2 3.37Å; D697-D699 PolarHBondContact O-N 3.08Å; D697-R700 CarbonylContact O-C 3.4Å; D697-R700 WeakPolarHBondContact O-CB 3.34Å; D697-R700 PolarHBondContact O-N 2.59Å; D697-R700 VanDerWaalsContact O-N 3.16Å; D697-D701 WeakPolarHBondContact O-CB 3.45Å; D697-D701 PolarHBondContact O-N 3.19Å
698A75.2Confident85.8Confident66 Ų6632.1 Ų32.155%0.54516%0.164SC..Hα-helixtrans-64.6-35.3-176.800000114.1M696 D702M696-A698 PolarHBondContact O-N 2.96Å; M696-A698 VanDerWaalsContact O-N 3.17Å; A698-D702 PolarHBondContact O-N 3.38Å; A698-D702 VanDerWaalsContact O-N 3.14Å
699D84.8Confident85.5Confident19 Ų1932 Ų3210%0.10217%0.165CC..Hα-helixtrans-80.1-28.2176.4-68.9-12.1000111.4R670 F695 M696 D697 L703 L779R670-D699 IonicContact CZ-OD1 2.68Å; R670-D699 IonicContact NH1-OD1 3.68Å; R670-D699 PolarHBondContact NH1-OD1 3.17Å; R670-D699 IonicContact NH2-OD1 3.44Å; R670-D699 PolarHBondContact NH2-OD1 3.1Å; F695-D699 HydrophobicContact CB-CB 4.39Å; F695-D699 HydrophobicContact CD1-CB 4.17Å; M696-D699 PolarHBondContact O-N 2.73Å; D697-D699 PolarHBondContact O-N 3.08Å; D699-L703 WeakPolarHBondContact O-CB 3.18Å; D699-L703 VanDerWaalsContact O-CG 3.3Å; D699-L703 WeakPolarHBondContact O-CG 3.36Å; D699-L703 PolarHBondContact O-N 2.91Å; D699-L779 HydrophobicContact CB-CD1 3.85Å
700R84.8Confident85.5Confident24 Ų2431.4 Ų31.49%0.09116%0.161CC..Hα-helixtrans-69.2-40.1172.3-175-178.1-64-121.7-6.6110.8D55 V692 F695 M696 D697 L703 K704D55-R700 IonicContact OD1-CZ 3.18Å; D55-R700 IonicContact OD1-NH1 3.99Å; D55-R700 PolarHBondContact OD1-NH1 2.84Å; D55-R700 IonicContact OD1-NH2 2.68Å; D55-R700 PolarHBondContact OD1-NH2 3.36Å; D55-R700 IonicContact OD2-NH2 2.75Å; V692-R700 HydrophobicContact CG1-CG 4.48Å; F695-R700 HydrophobicContact CB-CB 4.29Å; F695-R700 PolarHBondContact O-NE 2.83Å; F695-R700 VanDerWaalsContact O-NE 3.12Å; F695-R700 PolarHBondContact O-NH2 3.38Å; M696-R700 WeakPolarHBondContact O-CB 3.33Å; M696-R700 PolarHBondContact O-N 3.3Å; D697-R700 CarbonylContact O-C 3.4Å; D697-R700 WeakPolarHBondContact O-CB 3.34Å; D697-R700 PolarHBondContact O-N 2.59Å; D697-R700 VanDerWaalsContact O-N 3.16Å; R700-L703 CarbonylContact O-C 3.59Å; R700-L703 WeakPolarHBondContact O-CB 3.11Å; R700-L703 PolarHBondContact O-N 3Å; R700-K704 WeakPolarHBondContact O-CG 3.42Å; R700-K704 PolarHBondContact O-N 3.43Å
701D82.3Confident85.3Confident73 Ų7332.1 Ų32.139%0.3917%0.169SC..Hα-helixtrans-69.1-42.1175.8-74.1-16.6000112.1D697 L703 K704 L705D697-D701 WeakPolarHBondContact O-CB 3.45Å; D697-D701 PolarHBondContact O-N 3.19Å; D701-L703 VanDerWaalsContact C-N 3.26Å; D701-L703 PolarHBondContact O-N 3.29Å; D701-K704 PolarHBondContact O-N 3.1Å; D701-K704 VanDerWaalsContact OD1-CD 3.31Å; D701-K704 WeakPolarHBondContact OD1-CD 3.2Å; D701-K704 VanDerWaalsContact OD1-CE 3.22Å; D701-K704 WeakPolarHBondContact OD1-CE 3.35Å; D701-K704 IonicContact OD1-NZ 3.88Å; D701-K704 PolarHBondContact OD1-NZ 3.32Å; D701-L705 WeakPolarHBondContact O-CB 3.49Å; D701-L705 PolarHBondContact O-N 3.38Å
702D89.5Confident85.5Confident35 Ų3532.6 Ų32.619%0.18717%0.173CC..Hα-helixtrans-54.4-44.3167.8-87.17.4000110.3R670 L672 A698 L705 M706 L779R670-D702 WeakPolarHBondContact CD-OD2 3.08Å; R670-D702 IonicContact CZ-OD2 2.71Å; R670-D702 IonicContact NE-OD2 2.82Å; R670-D702 IonicContact NH1-OD2 3.88Å; R670-D702 PolarHBondContact NH1-OD2 2.83Å; L672-D702 HydrophobicContact CD1-CB 3.82Å; L672-D702 WeakPolarHBondContact CD1-OD1 3.4Å; A698-D702 PolarHBondContact O-N 3.38Å; A698-D702 VanDerWaalsContact O-N 3.14Å; D702-L705 PolarHBondContact O-N 2.94Å; D702-M706 WeakPolarHBondContact O-CB 3.39Å; D702-M706 WeakPolarHBondContact O-CG 3.35Å; D702-M706 PolarHBondContact O-N 3.27Å; D702-L779 HydrophobicContact CB-CD1 3.79Å
703L91.9Very high85.3Confident1 Ų136.1 Ų36.11%0.00519%0.186CC..Hα-helixtrans-69-38.6176.5-74.7171000114.2V692 F695 D699 R700 D701 L705 M706 A707 I726 A748 L751 L779V692-L703 HydrophobicContact CG1-CD1 3.82Å; V692-L703 HydrophobicContact CG2-CB 4.28Å; V692-L703 HydrophobicContact CG2-CD1 4.35Å; F695-L703 HydrophobicContact CB-CD1 4.4Å; F695-L703 HydrophobicContact CD1-CD1 3.79Å; F695-L703 HydrophobicContact CD2-CD1 3.72Å; F695-L703 HydrophobicContact CE1-CD1 3.9Å; F695-L703 HydrophobicContact CE2-CD1 3.82Å; F695-L703 HydrophobicContact CG-CD1 3.7Å; F695-L703 HydrophobicContact CZ-CD1 3.93Å; D699-L703 WeakPolarHBondContact O-CB 3.18Å; D699-L703 VanDerWaalsContact O-CG 3.3Å; D699-L703 WeakPolarHBondContact O-CG 3.36Å; D699-L703 PolarHBondContact O-N 2.91Å; R700-L703 CarbonylContact O-C 3.59Å; R700-L703 WeakPolarHBondContact O-CB 3.11Å; R700-L703 PolarHBondContact O-N 3Å; D701-L703 VanDerWaalsContact C-N 3.26Å; D701-L703 PolarHBondContact O-N 3.29Å; L703-L705 VanDerWaalsContact C-N 3.29Å; L703-L705 PolarHBondContact O-N 3.26Å; L703-M706 PolarHBondContact O-N 3.46Å; L703-A707 VanDerWaalsContact O-CB 3.31Å; L703-A707 WeakPolarHBondContact O-CB 3.48Å; L703-A707 PolarHBondContact O-N 3.41Å; L703-I726 HydrophobicContact CD1-CG2 4.35Å; L703-A748 HydrophobicContact CD2-CB 4.06Å; L703-L751 HydrophobicContact CD2-CD2 4.03Å; L703-L779 HydrophobicContact CD2-CD2 3.81Å; L703-L779 HydrophobicContact CG-CD2 4Å
704K88.7Confident85.4Confident52 Ų5237.8 Ų37.823%0.22619%0.191CC..Hα-helixtrans-55.6-47.7171.7-72.3173.4-166.3165.60109.2E64 R700 D701 A707 Y708 Y714E64-K704 IonicContact OE1-NZ 3.53Å; E64-K704 PolarHBondContact OE1-NZ 3.36Å; E64-K704 IonicContact OE2-NZ 2.66Å; R700-K704 WeakPolarHBondContact O-CG 3.42Å; R700-K704 PolarHBondContact O-N 3.43Å; D701-K704 PolarHBondContact O-N 3.1Å; D701-K704 VanDerWaalsContact OD1-CD 3.31Å; D701-K704 WeakPolarHBondContact OD1-CD 3.2Å; D701-K704 VanDerWaalsContact OD1-CE 3.22Å; D701-K704 WeakPolarHBondContact OD1-CE 3.35Å; D701-K704 IonicContact OD1-NZ 3.88Å; D701-K704 PolarHBondContact OD1-NZ 3.32Å; K704-A707 PolarHBondContact O-N 3.38Å; K704-Y708 PolarHBondContact O-N 2.92Å; K704-Y708 VanDerWaalsContact O-N 3.12Å; K704-Y714 HydrophobicContact CG-CD1 4.3Å; K704-Y714 HydrophobicContact CG-CD2 4.24Å; K704-Y714 HydrophobicContact CG-CE1 3.94Å; K704-Y714 HydrophobicContact CG-CE2 3.85Å; K704-Y714 HydrophobicContact CG-CG 4.45Å
705L88.3Confident85.7Confident46 Ų4637.8 Ų37.824%0.24119%0.191CC..Hα-helixtrans-69.6-44.6-179.6179.657.3000112.5H654 L672 D701 D702 L703 A707 Y708 L709H654-L705 WeakPolarHBondContact NE2-CD2 3.37Å; L672-L705 HydrophobicContact CD1-CD2 4.14Å; L672-L705 HydrophobicContact CD2-CD2 4.48Å; L672-L705 HydrophobicContact CD2-CG 4.47Å; D701-L705 WeakPolarHBondContact O-CB 3.49Å; D701-L705 PolarHBondContact O-N 3.38Å; D702-L705 PolarHBondContact O-N 2.94Å; L703-L705 VanDerWaalsContact C-N 3.29Å; L703-L705 PolarHBondContact O-N 3.26Å; L705-A707 VanDerWaalsContact C-N 3.28Å; L705-A707 PolarHBondContact O-N 2.97Å; L705-Y708 HydrophobicContact CD1-CD1 4.39Å; L705-Y708 PolarHBondContact O-N 2.98Å; L705-L709 HydrophobicContact CD1-CD1 3.99Å; L705-L709 HydrophobicContact CD1-CG 4.06Å; L705-L709 HydrophobicContact CG-CD1 3.81Å; L705-L709 HydrophobicContact CG-CG 4.38Å; L705-L709 WeakPolarHBondContact O-CB 3.2Å; L705-L709 VanDerWaalsContact O-CG 3.29Å; L705-L709 WeakPolarHBondContact O-CG 3.29Å; L705-L709 PolarHBondContact O-N 2.77Å
706M92.1Very high85.3Confident1 Ų139 Ų391%0.00520%0.204CC..Hα-helixtrans-60.2-38.3175.5-72.3173.859.700112T671 L672 D702 L703 A710 L751 C752 L755 L779T671-M706 HydrophobicContact CG2-CE 4.18Å; L672-M706 HydrophobicContact CD1-CG 4.02Å; L672-M706 HydrophobicContact CD2-CG 3.58Å; L672-M706 HydrophobicContact CG-CG 3.66Å; L672-M706 HydrophobicContact CG-SD 4.13Å; D702-M706 WeakPolarHBondContact O-CB 3.39Å; D702-M706 WeakPolarHBondContact O-CG 3.35Å; D702-M706 PolarHBondContact O-N 3.27Å; L703-M706 PolarHBondContact O-N 3.46Å; M706-A710 WeakPolarHBondContact O-CB 3.29Å; M706-A710 PolarHBondContact O-N 3.13Å; M706-L751 HydrophobicContact CB-CD2 3.66Å; M706-L751 HydrophobicContact CB-CG 4.09Å; M706-L751 HydrophobicContact CE-CB 4.31Å; M706-L751 HydrophobicContact CE-CD2 4.38Å; M706-L751 HydrophobicContact CE-CG 4.03Å; M706-C752 HydrophobicContact CE-CB 4.37Å; M706-L755 HydrophobicContact CB-CD1 4.23Å; M706-L755 HydrophobicContact CB-CD2 3.95Å; M706-L755 HydrophobicContact CE-CD1 4.31Å; M706-L755 HydrophobicContact CE-CD2 4.2Å; M706-L755 HydrophobicContact CG-CD2 3.71Å; M706-L779 HydrophobicContact SD-CD2 4.16Å
707A92Very high85.5Confident1 Ų136.7 Ų36.71%0.00819%0.191CC..Hα-helixtrans-62.7-49.1174.600000111.2L690 L703 K704 L705 L709 A710 G711 A712 L751L690-A707 HydrophobicContact CD1-CB 3.9Å; L703-A707 VanDerWaalsContact O-CB 3.31Å; L703-A707 WeakPolarHBondContact O-CB 3.48Å; L703-A707 PolarHBondContact O-N 3.41Å; K704-A707 PolarHBondContact O-N 3.38Å; L705-A707 VanDerWaalsContact C-N 3.28Å; L705-A707 PolarHBondContact O-N 2.97Å; A707-L709 PolarHBondContact O-N 2.94Å; A707-A710 PolarHBondContact O-N 2.79Å; A707-G711 PolarHBondContact O-N 3.05Å; A707-G711 VanDerWaalsContact O-N 3.13Å; A707-A712 HydrophobicContact CB-CB 4.31Å; A707-A712 WeakPolarHBondContact O-CB 3.44Å; A707-A712 PolarHBondContact O-N 3.28Å; A707-L751 HydrophobicContact CB-CD2 4.47Å
708Y88.9Confident86Confident156 Ų15635.2 Ų35.261%0.61218%0.184SC*.Hα-helixtrans-58.6-45.2176.4173.1-97000112.8K704 L705 G711K704-Y708 PolarHBondContact O-N 2.92Å; K704-Y708 VanDerWaalsContact O-N 3.12Å; L705-Y708 HydrophobicContact CD1-CD1 4.39Å; L705-Y708 PolarHBondContact O-N 2.98Å; Y708-G711 VanDerWaalsContact O-CA 3.28Å; Y708-G711 WeakPolarHBondContact O-CA 3.43Å; Y708-G711 PolarHBondContact O-N 3.19Å
709L87.4Confident86.3Confident29 Ų2933.1 Ų33.115%0.15216%0.164CC..Hα-helixtrans-64.1-41.3179-72.8164.7000112.5L672 F676 F678 L705 A707 G711L672-L709 HydrophobicContact CD2-CD1 3.66Å; F676-L709 HydrophobicContact CD2-CD1 4.45Å; F676-L709 HydrophobicContact CD2-CD2 4.36Å; F676-L709 HydrophobicContact CE1-CD1 4.42Å; F676-L709 HydrophobicContact CE2-CD1 3.59Å; F676-L709 HydrophobicContact CE2-CD2 3.9Å; F676-L709 HydrophobicContact CE2-CG 4.28Å; F676-L709 HydrophobicContact CZ-CD1 3.59Å; F678-L709 WeakPolarHBondContact CE2-O 3.07Å; L705-L709 HydrophobicContact CD1-CD1 3.99Å; L705-L709 HydrophobicContact CD1-CG 4.06Å; L705-L709 HydrophobicContact CG-CD1 3.81Å; L705-L709 HydrophobicContact CG-CG 4.38Å; L705-L709 WeakPolarHBondContact O-CB 3.2Å; L705-L709 VanDerWaalsContact O-CG 3.29Å; L705-L709 WeakPolarHBondContact O-CG 3.29Å; L705-L709 PolarHBondContact O-N 2.77Å; A707-L709 PolarHBondContact O-N 2.94Å; L709-G711 PolarHBondContact O-N 3.49Å
710A91.2Very high86.1Confident0 Ų041.4 Ų41.40%019%0.194CC..THydrogen-bonded Turntrans-70.2-5.8170.500000113.3K683 P684 C685 M706 A707 A712 L751 L755K683-A710 CarbonylContact C-O 3.59Å; P684-A710 VanDerWaalsContact CD-O 3.29Å; P684-A710 WeakPolarHBondContact CD-O 3.49Å; P684-A710 HydrophobicContact CG-CB 4.43Å; C685-A710 HydrophobicContact CB-CB 3.89Å; C685-A710 WeakPolarHBondContact CB-O 3.21Å; C685-A710 PolarHBondContact N-O 2.68Å; M706-A710 WeakPolarHBondContact O-CB 3.29Å; M706-A710 PolarHBondContact O-N 3.13Å; A707-A710 PolarHBondContact O-N 2.79Å; A710-A712 VanDerWaalsContact C-N 3.32Å; A710-L751 HydrophobicContact CB-CD1 4.16Å; A710-L755 HydrophobicContact CB-CD1 4.02Å
711G89.3Confident85.9Confident15 Ų1542 Ų4216%0.15521%0.208CC..THydrogen-bonded Turntrans76.413.3-178.400000115S686 A707 Y708 L709S686-G711 WeakPolarHBondContact CA-O 3.47Å; A707-G711 PolarHBondContact O-N 3.05Å; A707-G711 VanDerWaalsContact O-N 3.13Å; Y708-G711 VanDerWaalsContact O-CA 3.28Å; Y708-G711 WeakPolarHBondContact O-CA 3.43Å; Y708-G711 PolarHBondContact O-N 3.19Å; L709-G711 PolarHBondContact O-N 3.49Å
712A91.9Very high86.2Confident10 Ų1038.8 Ų38.88%0.08319%0.191CC..  trans-72.7152.6174.600000111.2C685 L690 A707 A710C685-A712 HydrophobicContact CB-CB 3.61Å; C685-A712 WeakPolarHBondContact O-CA 3.19Å; L690-A712 HydrophobicContact CD1-CB 3.57Å; L690-A712 HydrophobicContact CG-CB 3.85Å; A707-A712 HydrophobicContact CB-CB 4.31Å; A707-A712 WeakPolarHBondContact O-CB 3.44Å; A707-A712 PolarHBondContact O-N 3.28Å; A710-A712 VanDerWaalsContact C-N 3.32Å
713R86.6Confident86.4Confident77 Ų7739.3 Ų39.329%0.29120%0.195SC..EExtended strand (participates in β ladder)trans-82.2135167.1-69.5173.9168.4-131.4-12.5109.3H688 I689 L690 D1008 N1009H688-R713 PolarHBondContact O-N 2.9Å; I689-R713 CarbonylContact C-O 3.59Å; I689-R713 WeakPolarHBondContact CA-O 3.34Å; I689-R713 HydrophobicContact CB-CB 4.46Å; I689-R713 HydrophobicContact CG1-CB 4.26Å; I689-R713 HydrophobicContact CG2-CB 4.19Å; L690-R713 PolarHBondContact N-O 2.98Å; R713-D1008 PolarHBondContact NH1-O 2.94Å; R713-D1008 PolarHBondContact NH2-O 3.21Å; R713-N1009 PolarHBondContact NH1-O 3Å
714Y87.9Confident86.6Confident43 Ų4339.3 Ų39.317%0.16920%0.195CC..EExtended strand (participates in β ladder)trans-105.7134.8175.2174.9-85.1000110.3L690 V692 K704L690-Y714 CarbonylContact O-C 3.51Å; L690-Y714 WeakPolarHBondContact O-CA 3.27Å; V692-Y714 HydrophobicContact CB-CE2 4.05Å; V692-Y714 HydrophobicContact CG2-CD2 4.29Å; V692-Y714 HydrophobicContact CG2-CE2 3.63Å; K704-Y714 HydrophobicContact CG-CD1 4.3Å; K704-Y714 HydrophobicContact CG-CD2 4.24Å; K704-Y714 HydrophobicContact CG-CE1 3.94Å; K704-Y714 HydrophobicContact CG-CE2 3.85Å; K704-Y714 HydrophobicContact CG-CG 4.45Å
715T82.4Confident86.8Confident4 Ų436.8 Ų36.83%0.02518%0.184CC..  trans-128.1126.2171.162.70000110.5I689 L690 S691 Y717 N722I689-T715 HydrophobicContact CG2-CG2 3.86Å; L690-T715 PolarHBondContact O-N 2.73Å; S691-T715 WeakPolarHBondContact CA-O 3.38Å; S691-T715 VanDerWaalsContact CB-O 3.31Å; S691-T715 WeakPolarHBondContact CB-O 3.21Å; S691-T715 PolarHBondContact OG-O 3.41Å; T715-Y717 CarbonylContact C-O 3.46Å; T715-Y717 WeakPolarHBondContact CB-O 3.41Å; T715-Y717 HydrophobicContact CG2-CE1 3.94Å; T715-Y717 HydrophobicContact CG2-CE2 4.43Å; T715-Y717 PolarHBondContact O-N 3.03Å; T715-Y717 PolarHBondContact OG1-O 3.28Å; T715-N722 PolarHBondContact OG1-ND2 2.95Å
716G75.5Confident87.1Confident30 Ų3034.7 Ų34.731%0.30917%0.173SC..SBendtrans-66.7-25.3174.400000113.3K734G716-K734 PolarHBondContact O-NZ 3.05Å
717Y76.3Confident87.1Confident31 Ų3134.6 Ų34.612%0.12217%0.173CC..SBendtrans-91.3162.3170.470.2-92.4000111.6S691 T715 C719 P960 D1010 H1012 L1013S691-Y717 PolarHBondContact OG-O 2.79Å; S691-Y717 VanDerWaalsContact OG-O 3.08Å; T715-Y717 CarbonylContact C-O 3.46Å; T715-Y717 WeakPolarHBondContact CB-O 3.41Å; T715-Y717 HydrophobicContact CG2-CE1 3.94Å; T715-Y717 HydrophobicContact CG2-CE2 4.43Å; T715-Y717 PolarHBondContact O-N 3.03Å; T715-Y717 PolarHBondContact OG1-O 3.28Å; Y717-C719 HydrophobicContact CD2-CB 4.23Å; Y717-C719 HydrophobicContact CE2-CB 4Å; Y717-P960 HydrophobicContact CD1-CB 3.74Å; Y717-P960 HydrophobicContact CD1-CG 4.46Å; Y717-P960 HydrophobicContact CE1-CB 3.94Å; Y717-P960 HydrophobicContact CE1-CG 4.36Å; Y717-P960 HydrophobicContact CG-CB 4.15Å; Y717-D1010 PolarHBondContact OH-OD1 3.07Å; Y717-H1012 PolarHBondContact OH-CE1 2.95Å; Y717-H1012 PolarHBondContact OH-NE2 3.32Å; Y717-L1013 HydrophobicContact CE2-CD1 4.5Å; Y717-L1013 WeakPolarHBondContact OH-CD1 3.42Å
718L79.4Confident86.9Confident27 Ų2738 Ų3814%0.14119%0.187CC..  trans-115.2133.7172.5-178.372.6000110.2N722 L725 K734 K737 A738 W741 I743L718-N722 HydrophobicContact CD1-CB 3.7Å; L718-L725 HydrophobicContact CD1-CB 4.44Å; L718-L725 HydrophobicContact CD1-CD1 4.28Å; L718-L725 HydrophobicContact CD2-CD2 4.45Å; L718-K734 HydrophobicContact CD2-CB 4.28Å; L718-K734 WeakPolarHBondContact CD2-O 3.37Å; L718-K737 HydrophobicContact CD2-CB 4.36Å; L718-A738 HydrophobicContact CD2-CB 3.98Å; L718-W741 HydrophobicContact CD2-CE3 4.48Å; L718-W741 HydrophobicContact CD2-CZ3 4.22Å; L718-W741 HydrophobicContact CG-CE3 4.45Å; L718-W741 HydrophobicContact CG-CZ3 4.05Å; L718-I743 HydrophobicContact CD1-CD1 4.12Å
719C80.3Confident86.6Confident21 Ų2133.5 Ų33.514%0.14217%0.172CC..  trans-138.3172.7174.4730000111.1Y717 G721 N722 I743Y717-C719 HydrophobicContact CD2-CB 4.23Å; Y717-C719 HydrophobicContact CE2-CB 4Å; C719-G721 PolarHBondContact O-N 3.19Å; C719-G721 VanDerWaalsContact O-N 3.1Å; C719-G721 PolarHBondContact SG-N 2.85Å; C719-N722 PolarHBondContact N-OD1 3.26Å; C719-N722 WeakPolarHBondContact O-CB 3.18Å; C719-N722 PolarHBondContact O-N 3.49Å; C719-N722 PolarHBondContact O-OD1 3.23Å; C719-N722 PolarHBondContact SG-OD1 3.36Å; C719-N722 VanDerWaalsContact SG-OD1 3.32Å; C719-I743 WeakPolarHBondContact O-CD1 3.34Å
720R82.2Confident86.5Confident193 Ų19335.6 Ų35.673%0.72819%0.187SC*.THydrogen-bonded Turntrans-63.4-11.3174.2-68.8-178.1178.5170-0.5114.5W741R720-W741 HydrophobicContact CG-CB 4.33Å; R720-W741 HydrophobicContact CG-CD2 3.79Å; R720-W741 HydrophobicContact CG-CE3 4.06Å; R720-W741 HydrophobicContact CG-CG 3.88Å
721G79.7Confident85.9Confident36 Ų3636.7 Ų36.737%0.37120%0.199SC..THydrogen-bonded Turntrans-85.2-12.4173.100000114.5C719C719-G721 PolarHBondContact O-N 3.19Å; C719-G721 VanDerWaalsContact O-N 3.1Å; C719-G721 PolarHBondContact SG-N 2.85Å
722N89.2Confident85.2Confident6 Ų637.9 Ų37.93%0.03221%0.211CC..  trans-69.6138.1174.8-75.495.6000111.1I689 T715 L718 C719 I743I689-N722 WeakPolarHBondContact O-CA 3.29Å; I689-N722 PolarHBondContact O-ND2 2.82Å; I689-N722 VanDerWaalsContact O-ND2 3.15Å; T715-N722 PolarHBondContact OG1-ND2 2.95Å; L718-N722 HydrophobicContact CD1-CB 3.7Å; C719-N722 PolarHBondContact N-OD1 3.26Å; C719-N722 WeakPolarHBondContact O-CB 3.18Å; C719-N722 PolarHBondContact O-N 3.49Å; C719-N722 PolarHBondContact O-OD1 3.23Å; C719-N722 PolarHBondContact SG-OD1 3.36Å; C719-N722 VanDerWaalsContact SG-OD1 3.32Å; N722-I743 HydrophobicContact CB-CD1 4.23Å
723T93.3Very high84.3Confident47 Ų4743 Ų4329%0.28824%0.235SC..SBendtrans-92.9-25.9-177.861.60000113.1H688 I689 P744H688-T723 VanDerWaalsContact CA-OG1 3.26Å; H688-T723 WeakPolarHBondContact CA-OG1 3.44Å; H688-T723 WeakPolarHBondContact CB-OG1 3.37Å; H688-T723 PolarHBondContact ND1-OG1 2.8Å; I689-T723 PolarHBondContact N-OG1 3.36Å; I689-T723 PolarHBondContact O-N 2.94Å; I689-T723 PolarHBondContact O-OG1 2.78Å; T723-P744 WeakPolarHBondContact O-CD 3.19Å
724V95.5Very high84Confident0 Ų040.7 Ų40.70%023%0.227CC..EExtended strand (participates in β ladder)trans-152.1141.8-177.4179.10000108.7L690 S691 I726 V746 W750 I765L690-V724 HydrophobicContact CD2-CB 3.73Å; L690-V724 HydrophobicContact CD2-CG1 4.36Å; L690-V724 HydrophobicContact CD2-CG2 4.31Å; S691-V724 PolarHBondContact N-O 2.77Å; V724-I726 HydrophobicContact CG1-CG1 4.46Å; V724-V746 HydrophobicContact CG1-CB 4.48Å; V724-V746 HydrophobicContact CG1-CG1 4.3Å; V724-V746 HydrophobicContact CG1-CG2 3.42Å; V724-V746 VanDerWaalsContact CG1-CG2 3.42Å; V724-W750 HydrophobicContact CG1-CE3 4.28Å; V724-W750 HydrophobicContact CG1-CZ3 4.18Å; V724-W750 HydrophobicContact CG2-CH2 4.05Å; V724-W750 HydrophobicContact CG2-CZ2 4.3Å; V724-W750 HydrophobicContact CG2-CZ3 4.47Å; V724-I765 HydrophobicContact CG2-CD1 4.01Å
725L94.2Very high84Confident0 Ų040.5 Ų40.50%023%0.226CC..EExtended strand (participates in β ladder)trans-111.8124.5167.3176.372.9000109.1T693 L718 C727 K734 A738 I743 P744 C745 V746T693-L725 HydrophobicContact CG2-CD1 4.04Å; T693-L725 HydrophobicContact CG2-CD2 4.05Å; T693-L725 HydrophobicContact CG2-CG 4.19Å; L718-L725 HydrophobicContact CD1-CB 4.44Å; L718-L725 HydrophobicContact CD1-CD1 4.28Å; L718-L725 HydrophobicContact CD2-CD2 4.45Å; L725-C727 VanDerWaalsContact CD2-SG 3.53Å; L725-C727 VanDerWaalsContact CG-SG 3.56Å; L725-K734 HydrophobicContact CD1-CB 4.27Å; L725-K734 HydrophobicContact CD2-CB 4.19Å; L725-K734 WeakPolarHBondContact CD2-O 3.37Å; L725-A738 HydrophobicContact CB-CB 4.12Å; L725-A738 HydrophobicContact CD2-CB 3.6Å; L725-I743 HydrophobicContact CB-CG2 4.47Å; L725-P744 PolarHBondContact N-O 3.49Å; L725-C745 CarbonylContact O-C 3.6Å; L725-C745 WeakPolarHBondContact O-CA 3.3Å; L725-V746 PolarHBondContact O-N 3.31Å
726I94.7Very high84.1Confident1 Ų146.4 Ų46.41%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-93.4119.7174.8-57.5172.3000108.6L690 S691 V692 T693 F695 L703 V724 V746 A748 W750 L751L690-I726 HydrophobicContact CD1-CD1 4.21Å; S691-I726 PolarHBondContact O-N 3.44Å; V692-I726 CarbonylContact C-O 3.27Å; V692-I726 WeakPolarHBondContact CA-O 3.3Å; V692-I726 HydrophobicContact CG2-CB 4.27Å; T693-I726 PolarHBondContact N-O 2.86Å; F695-I726 HydrophobicContact CE2-CG2 3.93Å; F695-I726 HydrophobicContact CZ-CG2 4.18Å; L703-I726 HydrophobicContact CD1-CG2 4.35Å; V724-I726 HydrophobicContact CG1-CG1 4.46Å; I726-V746 CarbonylContact C-O 3.49Å; I726-V746 VanDerWaalsContact CA-O 3.31Å; I726-V746 WeakPolarHBondContact CA-O 3.28Å; I726-V746 HydrophobicContact CG1-CG2 3.95Å; I726-A748 HydrophobicContact CG2-CB 4.2Å; I726-W750 HydrophobicContact CD1-CE3 4.43Å; I726-L751 HydrophobicContact CD1-CB 4.23Å; I726-L751 HydrophobicContact CD1-CD2 3.97Å
727C90.9Very high84.3Confident0 Ų049.2 Ų49.20%026%0.257CS..EExtended strand (participates in β ladder)trans-119.4141.1-175.6-39.40000110.2T693 L725 E729 V746 Y773T693-C727 HydrophobicContact CG2-CB 3.92Å; T693-C727 WeakPolarHBondContact O-CA 3.16Å; L725-C727 VanDerWaalsContact CD2-SG 3.53Å; L725-C727 VanDerWaalsContact CG-SG 3.56Å; C727-E729 WeakPolarHBondContact CB-O 3.45Å; C727-V746 PolarHBondContact N-O 3.41Å; C727-Y773 HydrophobicContact CB-CE1 3.83Å; C727-Y773 WeakPolarHBondContact O-CE1 3.43Å
728K87.3Confident84.9Confident72 Ų7247.8 Ų47.831%0.31325%0.251SS..SBendtrans-72.8-37.4167.3-172.6-174.9174.1-168.30110.9T693 G694 F695 Y773T693-K728 PolarHBondContact O-N 3.01Å; T693-K728 VanDerWaalsContact O-N 3.1Å; G694-K728 VanDerWaalsContact O-CB 3.3Å; G694-K728 WeakPolarHBondContact O-CB 3.42Å; G694-K728 WeakPolarHBondContact O-CD 3.29Å; F695-K728 HydrophobicContact CD1-CB 4.29Å; F695-K728 HydrophobicContact CD2-CB 4.16Å; F695-K728 HydrophobicContact CE1-CB 4.04Å; F695-K728 HydrophobicContact CE1-CG 4.34Å; F695-K728 HydrophobicContact CE2-CB 3.93Å; F695-K728 HydrophobicContact CG-CB 4.35Å; F695-K728 HydrophobicContact CZ-CB 3.85Å; K728-Y773 WeakPolarHBondContact O-CD1 3.26Å
729E84.1Confident85.5Confident61 Ų6151.2 Ų51.229%0.28527%0.265SS..SBendtrans-141.1159.8-176.159.7175-156.400111.5F100 C727 G731F100-E729 WeakPolarHBondContact CD1-OE1 3.38Å; F100-E729 WeakPolarHBondContact CE1-OE1 3.39Å; C727-E729 WeakPolarHBondContact CB-O 3.45Å; E729-G731 PolarHBondContact O-N 3.43Å
730P84.8Confident86Confident73 Ų7355.4 Ų55.447%0.47428%0.283SS..SBendtrans-84.956.1-175.435.8-35.6000112.2Y735 Y773P730-Y735 VanDerWaalsContact C-CD1 3.42Å; P730-Y735 VanDerWaalsContact C-CE1 3.42Å; P730-Y735 HydrophobicContact CB-CE1 3.93Å; P730-Y735 HydrophobicContact CB-CE2 3.94Å; P730-Y735 VanDerWaalsContact CB-CZ 3.49Å; P730-Y735 WeakPolarHBondContact CB-OH 3.25Å; P730-Y735 WeakPolarHBondContact O-CD1 3.5Å; P730-Y735 WeakPolarHBondContact O-CE1 3.47Å; P730-Y773 HydrophobicContact CB-CD2 3.94Å; P730-Y773 HydrophobicContact CB-CE2 4.09Å; P730-Y773 HydrophobicContact CG-CD2 4.11Å
731G79Confident86.5Confident23 Ų2349.7 Ų49.724%0.23726%0.261CS..  trans-153.1174.7-17600000114E729 Y735E729-G731 PolarHBondContact O-N 3.43Å; G731-Y735 WeakPolarHBondContact O-CB 3.42Å
732G74.9Confident87.1Confident41 Ų4157 Ų5742%0.42328%0.283SS..SBendtrans86.3159.1-179.500000114.5K734 Y735 E736G732-K734 VanDerWaalsContact C-N 3.29Å; G732-K734 PolarHBondContact O-N 3.34Å; G732-Y735 WeakPolarHBondContact O-CB 3.41Å; G732-Y735 PolarHBondContact O-N 3.15Å; G732-E736 PolarHBondContact O-N 2.96Å; G732-E736 VanDerWaalsContact O-N 3.09Å
733M72.4Confident87.4Confident118 Ų11857.3 Ų57.358%0.58128%0.284SS*.Hα-helixtrans-56.9-37.7-171.3-65.9-173.2-75.100113.6D53 K737D53-M733 HydrophobicContact CB-CE 3.89Å; D53-M733 WeakPolarHBondContact OD2-CE 3.38Å; M733-K737 WeakPolarHBondContact O-CB 3.44Å; M733-K737 WeakPolarHBondContact O-CG 3.33Å; M733-K737 PolarHBondContact O-N 2.88Å
734K80.4Confident87.4Confident27 Ų2756.8 Ų56.812%0.11728%0.282CS..Hα-helixtrans-64.2-42.7177.2-65.4179.1-172.5177.20111D55 T693 G716 L718 L725 G732 A738D55-K734 WeakPolarHBondContact O-CE 3.48Å; D55-K734 PolarHBondContact O-NZ 3.02Å; D55-K734 IonicContact OD1-NZ 2.77Å; D55-K734 PolarHBondContact OD1-NZ 2.82Å; D55-K734 IonicContact OD2-NZ 3.35Å; T693-K734 HydrophobicContact CG2-CB 4.22Å; G716-K734 PolarHBondContact O-NZ 3.05Å; L718-K734 HydrophobicContact CD2-CB 4.28Å; L718-K734 WeakPolarHBondContact CD2-O 3.37Å; L725-K734 HydrophobicContact CD1-CB 4.27Å; L725-K734 HydrophobicContact CD2-CB 4.19Å; L725-K734 WeakPolarHBondContact CD2-O 3.37Å; G732-K734 VanDerWaalsContact C-N 3.29Å; G732-K734 PolarHBondContact O-N 3.34Å; K734-A738 WeakPolarHBondContact O-CB 3.29Å; K734-A738 PolarHBondContact O-N 3.08Å
735Y86.4Confident87.3Confident40 Ų4057.1 Ų57.116%0.15728%0.284CS..Hα-helixtrans-64.6-46.9177178.8-99.8000112.1P730 G731 G732 K737 A738 K739 C745P730-Y735 VanDerWaalsContact C-CD1 3.42Å; P730-Y735 VanDerWaalsContact C-CE1 3.42Å; P730-Y735 HydrophobicContact CB-CE1 3.93Å; P730-Y735 HydrophobicContact CB-CE2 3.94Å; P730-Y735 VanDerWaalsContact CB-CZ 3.49Å; P730-Y735 WeakPolarHBondContact CB-OH 3.25Å; P730-Y735 WeakPolarHBondContact O-CD1 3.5Å; P730-Y735 WeakPolarHBondContact O-CE1 3.47Å; G731-Y735 WeakPolarHBondContact O-CB 3.42Å; G732-Y735 WeakPolarHBondContact O-CB 3.41Å; G732-Y735 PolarHBondContact O-N 3.15Å; Y735-K737 PolarHBondContact O-N 3.41Å; Y735-A738 PolarHBondContact O-N 2.83Å; Y735-K739 HydrophobicContact CD1-CG 4.46Å; Y735-K739 HydrophobicContact CE1-CG 4.18Å; Y735-K739 VanDerWaalsContact CE2-CE 3.48Å; Y735-K739 WeakPolarHBondContact O-CG 3.45Å; Y735-K739 PolarHBondContact O-N 3.48Å; Y735-K739 WeakPolarHBondContact OH-CE 3.13Å; Y735-C745 HydrophobicContact CD2-CB 3.69Å; Y735-C745 HydrophobicContact CE2-CB 3.54Å
736E85.1Confident87.4Confident127 Ų12757.1 Ų57.159%0.59328%0.284SS*.Hα-helixtrans-60.9-44.7178.6-67.5179.9179.500112G732 K739 E740G732-E736 PolarHBondContact O-N 2.96Å; G732-E736 VanDerWaalsContact O-N 3.09Å; E736-K739 PolarHBondContact O-N 2.73Å; E736-E740 PolarHBondContact O-N 2.79Å
737K79.5Confident87.4Confident90 Ų9057.6 Ų57.639%0.39129%0.287SS..Hα-helixtrans-69.4-34176.8-67.4-69.9162-169.30112.9L718 M733 Y735 E740 W741L718-K737 HydrophobicContact CD2-CB 4.36Å; M733-K737 WeakPolarHBondContact O-CB 3.44Å; M733-K737 WeakPolarHBondContact O-CG 3.33Å; M733-K737 PolarHBondContact O-N 2.88Å; Y735-K737 PolarHBondContact O-N 3.41Å; K737-E740 WeakPolarHBondContact CD-OE2 3.42Å; K737-E740 IonicContact NZ-OE2 3.94Å; K737-E740 PolarHBondContact NZ-OE2 2.71Å; K737-E740 PolarHBondContact O-N 3.02Å; K737-W741 HydrophobicContact CB-CD2 4.47Å; K737-W741 HydrophobicContact CB-CE3 4.45Å; K737-W741 HydrophobicContact CB-CH2 4.07Å; K737-W741 HydrophobicContact CB-CZ2 4.07Å; K737-W741 HydrophobicContact CB-CZ3 4.25Å; K737-W741 HydrophobicContact CD-CZ2 3.92Å; K737-W741 HydrophobicContact CG-CZ2 4.34Å; K737-W741 WeakPolarHBondContact O-CB 3.14Å; K737-W741 PolarHBondContact O-N 2.91Å
738A90.5Very high87.5Confident0 Ų057.6 Ų57.60%029%0.287CS..Hα-helixtrans-61.7-42.4170.300000111.7L718 L725 K734 Y735 W741 K742 I743L718-A738 HydrophobicContact CD2-CB 3.98Å; L725-A738 HydrophobicContact CB-CB 4.12Å; L725-A738 HydrophobicContact CD2-CB 3.6Å; K734-A738 WeakPolarHBondContact O-CB 3.29Å; K734-A738 PolarHBondContact O-N 3.08Å; Y735-A738 PolarHBondContact O-N 2.83Å; A738-W741 CarbonylContact O-C 3.33Å; A738-W741 PolarHBondContact O-N 3.13Å; A738-K742 PolarHBondContact O-N 3.38Å; A738-I743 HydrophobicContact CB-CB 4.02Å; A738-I743 HydrophobicContact CB-CG2 4.37Å; A738-I743 PolarHBondContact O-N 3.33Å
739K91.1Very high87.8Confident100 Ų10055.6 Ų55.644%0.43528%0.278SS..Hα-helixtrans-63.7-44.5174.2-65.8-62.5-175.6-176.60112.4Y735 E736 W741 K742 C745Y735-K739 HydrophobicContact CD1-CG 4.46Å; Y735-K739 HydrophobicContact CE1-CG 4.18Å; Y735-K739 VanDerWaalsContact CE2-CE 3.48Å; Y735-K739 WeakPolarHBondContact O-CG 3.45Å; Y735-K739 PolarHBondContact O-N 3.48Å; Y735-K739 WeakPolarHBondContact OH-CE 3.13Å; E736-K739 PolarHBondContact O-N 2.73Å; K739-W741 VanDerWaalsContact C-N 3.32Å; K739-W741 PolarHBondContact O-N 2.81Å; K739-K742 PolarHBondContact O-N 3.33Å; K739-C745 VanDerWaalsContact CE-SG 3.51Å
740E91.4Very high88.4Confident108 Ų10852.7 Ų52.751%0.50527%0.265SS..Hα-helixtrans-56-46174.3-174.1-165.9115.900111.5E736 K737 K742E736-E740 PolarHBondContact O-N 2.79Å; K737-E740 WeakPolarHBondContact CD-OE2 3.42Å; K737-E740 IonicContact NZ-OE2 3.94Å; K737-E740 PolarHBondContact NZ-OE2 2.71Å; K737-E740 PolarHBondContact O-N 3.02Å; E740-K742 VanDerWaalsContact C-N 3.27Å; E740-K742 PolarHBondContact O-N 2.9Å
741W91.9Very high88.8Confident74 Ų7449.2 Ų49.228%0.2824%0.242SC..THydrogen-bonded Turntrans-85.45-178-55.2-17.6000113.7L718 R720 K737 A738 K739 I743L718-W741 HydrophobicContact CD2-CE3 4.48Å; L718-W741 HydrophobicContact CD2-CZ3 4.22Å; L718-W741 HydrophobicContact CG-CE3 4.45Å; L718-W741 HydrophobicContact CG-CZ3 4.05Å; R720-W741 HydrophobicContact CG-CB 4.33Å; R720-W741 HydrophobicContact CG-CD2 3.79Å; R720-W741 HydrophobicContact CG-CE3 4.06Å; R720-W741 HydrophobicContact CG-CG 3.88Å; K737-W741 HydrophobicContact CB-CD2 4.47Å; K737-W741 HydrophobicContact CB-CE3 4.45Å; K737-W741 HydrophobicContact CB-CH2 4.07Å; K737-W741 HydrophobicContact CB-CZ2 4.07Å; K737-W741 HydrophobicContact CB-CZ3 4.25Å; K737-W741 HydrophobicContact CD-CZ2 3.92Å; K737-W741 HydrophobicContact CG-CZ2 4.34Å; K737-W741 WeakPolarHBondContact O-CB 3.14Å; K737-W741 PolarHBondContact O-N 2.91Å; A738-W741 CarbonylContact O-C 3.33Å; A738-W741 PolarHBondContact O-N 3.13Å; K739-W741 VanDerWaalsContact C-N 3.32Å; K739-W741 PolarHBondContact O-N 2.81Å; W741-I743 HydrophobicContact CB-CD1 4.1Å; W741-I743 HydrophobicContact CB-CG1 4.17Å; W741-I743 HydrophobicContact CE3-CD1 4.07Å; W741-I743 PolarHBondContact O-N 2.79Å
742K93.1Very high89.5Confident189 Ų18948.1 Ų48.182%0.82223%0.231SC*.THydrogen-bonded Turntrans58.224.8-178.5-53.8179.5-177176.90114.4A738 K739 E740A738-K742 PolarHBondContact O-N 3.38Å; K739-K742 PolarHBondContact O-N 3.33Å; E740-K742 VanDerWaalsContact C-N 3.27Å; E740-K742 PolarHBondContact O-N 2.9Å
743I94.1Very high90.4Very high13 Ų1346.2 Ų46.27%0.06721%0.211CC..PPolyproline II helixtrans-73.7128.7172.4-62.9170.7000108.1L718 C719 N722 L725 A738 W741 C745L718-I743 HydrophobicContact CD1-CD1 4.12Å; C719-I743 WeakPolarHBondContact O-CD1 3.34Å; N722-I743 HydrophobicContact CB-CD1 4.23Å; L725-I743 HydrophobicContact CB-CG2 4.47Å; A738-I743 HydrophobicContact CB-CB 4.02Å; A738-I743 HydrophobicContact CB-CG2 4.37Å; A738-I743 PolarHBondContact O-N 3.33Å; W741-I743 HydrophobicContact CB-CD1 4.1Å; W741-I743 HydrophobicContact CB-CG1 4.17Å; W741-I743 HydrophobicContact CE3-CD1 4.07Å; W741-I743 PolarHBondContact O-N 2.79Å; I743-C745 PolarHBondContact O-N 3.49Å
744P93.6Very high91.4Very high36 Ų3640.6 Ų40.623%0.23418%0.183CC..PPolyproline II helixtrans-56.9120.2173.9-2634.2000112.4T723 L725 I765T723-P744 WeakPolarHBondContact O-CD 3.19Å; L725-P744 PolarHBondContact N-O 3.49Å; P744-I765 HydrophobicContact CB-CG2 3.34Å; P744-I765 HydrophobicContact CG-CG2 3.76Å
745C94.5Very high92Very high6 Ų639.3 Ų39.34%0.04118%0.178CC..EExtended strand (participates in β ladder)trans-93122.6168.7-39.20000108.2L725 Y735 K739 I743 Y773L725-C745 CarbonylContact O-C 3.6Å; L725-C745 WeakPolarHBondContact O-CA 3.3Å; Y735-C745 HydrophobicContact CD2-CB 3.69Å; Y735-C745 HydrophobicContact CE2-CB 3.54Å; K739-C745 VanDerWaalsContact CE-SG 3.51Å; I743-C745 PolarHBondContact O-N 3.49Å; C745-Y773 PolarHBondContact O-OH 3.44Å
746V95.4Very high92.2Very high1 Ų137.9 Ų37.91%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-128.6160.6-179.1-60.20000111.4V724 L725 I726 C727 W750 I765 Y770 Y773V724-V746 HydrophobicContact CG1-CB 4.48Å; V724-V746 HydrophobicContact CG1-CG1 4.3Å; V724-V746 HydrophobicContact CG1-CG2 3.42Å; V724-V746 VanDerWaalsContact CG1-CG2 3.42Å; L725-V746 PolarHBondContact O-N 3.31Å; I726-V746 CarbonylContact C-O 3.49Å; I726-V746 VanDerWaalsContact CA-O 3.31Å; I726-V746 WeakPolarHBondContact CA-O 3.28Å; I726-V746 HydrophobicContact CG1-CG2 3.95Å; C727-V746 PolarHBondContact N-O 3.41Å; V746-W750 HydrophobicContact CB-CB 4.07Å; V746-W750 HydrophobicContact CB-CG 4.42Å; V746-W750 HydrophobicContact CG1-CG 4.49Å; V746-W750 HydrophobicContact CG2-CB 3.9Å; V746-W750 HydrophobicContact CG2-CD2 4.19Å; V746-W750 HydrophobicContact CG2-CE3 4.11Å; V746-W750 HydrophobicContact CG2-CG 4.11Å; V746-I765 HydrophobicContact CG1-CG2 4.11Å; V746-Y770 CarbonylContact C-O 3.48Å; V746-Y770 VanDerWaalsContact CA-O 3.28Å; V746-Y770 WeakPolarHBondContact CA-O 3.29Å; V746-Y773 PolarHBondContact N-OH 3.18Å
747N94.1Very high92.4Very high11 Ų1133 Ų336%0.05916%0.157CC..  trans-80.8169166.565.319.7000112Q749 W750 R769 Y770 V772 Y773N747-Q749 PolarHBondContact O-N 3.1Å; N747-Q749 WeakPolarHBondContact OD1-CB 3.35Å; N747-Q749 PolarHBondContact OD1-N 2.59Å; N747-W750 PolarHBondContact O-N 3.03Å; N747-R769 PolarHBondContact ND2-O 3.14Å; N747-Y770 PolarHBondContact N-O 3.09Å; N747-Y770 WeakPolarHBondContact OD1-CA 3.44Å; N747-V772 PolarHBondContact ND2-O 3.27Å; N747-Y773 HydrophobicContact CB-CD1 4.12Å; N747-Y773 HydrophobicContact CB-CE1 4.1Å
748A94Very high92.8Very high0 Ų030.2 Ų30.20%015%0.146CC..THydrogen-bonded Turntrans-64.1-19.6179.900000114.4F695 L703 I726 W750 L751 C752 P778 L779F695-A748 HydrophobicContact CE1-CB 4.05Å; F695-A748 HydrophobicContact CZ-CB 3.84Å; L703-A748 HydrophobicContact CD2-CB 4.06Å; I726-A748 HydrophobicContact CG2-CB 4.2Å; A748-W750 PolarHBondContact O-N 3.41Å; A748-L751 PolarHBondContact O-N 3.34Å; A748-L751 VanDerWaalsContact O-N 3.17Å; A748-C752 PolarHBondContact O-N 3.19Å; A748-C752 VanDerWaalsContact O-N 3.09Å; A748-C752 PolarHBondContact O-SG 2.87Å; A748-P778 HydrophobicContact CB-CB 4.28Å; A748-L779 HydrophobicContact CB-CD2 3.94Å
749Q93.9Very high92.8Very high30 Ų3034.4 Ų34.414%0.1416%0.164CC..Hα-helixtrans-62.1-26.7177.2-67.6-70.9-69.900112.4N747 L751 C752 D753 P778 M780N747-Q749 PolarHBondContact O-N 3.1Å; N747-Q749 WeakPolarHBondContact OD1-CB 3.35Å; N747-Q749 PolarHBondContact OD1-N 2.59Å; Q749-L751 PolarHBondContact O-N 3.23Å; Q749-C752 PolarHBondContact O-N 3.3Å; Q749-D753 WeakPolarHBondContact O-CB 3.5Å; Q749-D753 PolarHBondContact O-N 2.86Å; Q749-P778 PolarHBondContact NE2-O 3.27Å; Q749-M780 PolarHBondContact NE2-O 2.65Å
750W95.1Very high92.6Very high0 Ų035.3 Ų35.30%017%0.17CC..Hα-helixtrans-57.6-48.1173.317773.7000112.3H688 L690 V724 I726 V746 N747 A748 I754 A761 L762 I765 Y770H688-W750 AromaticContact CD2-CH2 3.94Å; L690-W750 HydrophobicContact CD1-CZ3 4.2Å; L690-W750 HydrophobicContact CD2-CH2 3.96Å; L690-W750 HydrophobicContact CD2-CZ3 3.68Å; V724-W750 HydrophobicContact CG1-CE3 4.28Å; V724-W750 HydrophobicContact CG1-CZ3 4.18Å; V724-W750 HydrophobicContact CG2-CH2 4.05Å; V724-W750 HydrophobicContact CG2-CZ2 4.3Å; V724-W750 HydrophobicContact CG2-CZ3 4.47Å; I726-W750 HydrophobicContact CD1-CE3 4.43Å; V746-W750 HydrophobicContact CB-CB 4.07Å; V746-W750 HydrophobicContact CB-CG 4.42Å; V746-W750 HydrophobicContact CG1-CG 4.49Å; V746-W750 HydrophobicContact CG2-CB 3.9Å; V746-W750 HydrophobicContact CG2-CD2 4.19Å; V746-W750 HydrophobicContact CG2-CE3 4.11Å; V746-W750 HydrophobicContact CG2-CG 4.11Å; N747-W750 PolarHBondContact O-N 3.03Å; A748-W750 PolarHBondContact O-N 3.41Å; W750-I754 HydrophobicContact CD2-CD1 3.93Å; W750-I754 HydrophobicContact CE3-CD1 4.33Å; W750-I754 HydrophobicContact CG-CD1 4.5Å; W750-I754 HydrophobicContact CH2-CD1 4.02Å; W750-I754 HydrophobicContact CZ2-CD1 3.57Å; W750-I754 HydrophobicContact CZ3-CD1 4.37Å; W750-I754 WeakPolarHBondContact O-CD1 3.33Å; W750-I754 WeakPolarHBondContact O-CG1 3.27Å; W750-I754 PolarHBondContact O-N 2.88Å; W750-A761 PolarHBondContact NE1-O 2.79Å; W750-L762 HydrophobicContact CZ2-CD2 4.19Å; W750-I765 HydrophobicContact CZ2-CD1 4Å; W750-I765 HydrophobicContact CZ2-CG1 3.89Å; W750-Y770 VanDerWaalsContact CA-CD1 3.49Å; W750-Y770 HydrophobicContact CB-CD1 3.65Å; W750-Y770 HydrophobicContact CB-CE1 4.08Å; W750-Y770 HydrophobicContact CB-CG 3.94Å; W750-Y770 AromaticContact CD1-CD2 3.88Å; W750-Y770 AromaticContact CD1-CE2 3.93Å; W750-Y770 HydrophobicContact CG-CD1 4.45Å; W750-Y770 HydrophobicContact CG-CG 4.44Å
751L94.6Very high92.5Very high0 Ų030.2 Ų30.20%015%0.147CC..Hα-helixtrans-73.8-35.7178.4-170.859.5000111.2L690 L703 M706 A707 A710 I726 A748 Q749 I754 L755L690-L751 HydrophobicContact CD1-CD1 4.38Å; L690-L751 HydrophobicContact CD1-CD2 4.44Å; L703-L751 HydrophobicContact CD2-CD2 4.03Å; M706-L751 HydrophobicContact CB-CD2 3.66Å; M706-L751 HydrophobicContact CB-CG 4.09Å; M706-L751 HydrophobicContact CE-CB 4.31Å; M706-L751 HydrophobicContact CE-CD2 4.38Å; M706-L751 HydrophobicContact CE-CG 4.03Å; A707-L751 HydrophobicContact CB-CD2 4.47Å; A710-L751 HydrophobicContact CB-CD1 4.16Å; I726-L751 HydrophobicContact CD1-CB 4.23Å; I726-L751 HydrophobicContact CD1-CD2 3.97Å; A748-L751 PolarHBondContact O-N 3.34Å; A748-L751 VanDerWaalsContact O-N 3.17Å; Q749-L751 PolarHBondContact O-N 3.23Å; L751-I754 PolarHBondContact O-N 2.9Å; L751-L755 HydrophobicContact CD1-CD1 3.87Å; L751-L755 HydrophobicContact CG-CD1 3.97Å; L751-L755 WeakPolarHBondContact O-CD1 3.29Å; L751-L755 PolarHBondContact O-N 3.02Å; L751-L755 VanDerWaalsContact O-N 3.14Å
752C94.1Very high92.4Very high0 Ų028.8 Ų28.80%014%0.144CC..Hα-helixtrans-58.1-49.9175-62.20000112.1T671 M706 A748 Q749 I754 L755 L756T671-C752 HydrophobicContact CG2-CB 4.31Å; T671-C752 WeakPolarHBondContact OG1-CB 3.45Å; T671-C752 PolarHBondContact OG1-SG 2.92Å; T671-C752 VanDerWaalsContact OG1-SG 3.38Å; M706-C752 HydrophobicContact CE-CB 4.37Å; A748-C752 PolarHBondContact O-N 3.19Å; A748-C752 VanDerWaalsContact O-N 3.09Å; A748-C752 PolarHBondContact O-SG 2.87Å; Q749-C752 PolarHBondContact O-N 3.3Å; C752-I754 VanDerWaalsContact C-N 3.28Å; C752-I754 PolarHBondContact O-N 3.28Å; C752-L755 PolarHBondContact O-N 3.22Å; C752-L756 VanDerWaalsContact O-CG 3.31Å; C752-L756 WeakPolarHBondContact O-CG 3.45Å; C752-L756 PolarHBondContact O-N 2.63Å
753D93.4Very high92.1Very high0 Ų030.8 Ų30.80%015%0.147CC..Hα-helixtrans-58.5-38.7179.1-97.35.2000111.7Q749 L756 G757 N758 A761 R769 Y770 N782 L785Q749-D753 WeakPolarHBondContact O-CB 3.5Å; Q749-D753 PolarHBondContact O-N 2.86Å; D753-L756 CarbonylContact O-C 3.53Å; D753-L756 PolarHBondContact O-N 2.97Å; D753-G757 PolarHBondContact O-N 3.28Å; D753-N758 HydrophobicContact CB-CB 3.98Å; D753-N758 WeakPolarHBondContact O-CB 3.38Å; D753-N758 PolarHBondContact O-N 2.57Å; D753-N758 PolarHBondContact OD2-ND2 2.82Å; D753-A761 HydrophobicContact CB-CB 4.38Å; D753-R769 IonicContact OD2-CZ 3.19Å; D753-R769 IonicContact OD2-NH1 3.02Å; D753-R769 PolarHBondContact OD2-NH1 2.8Å; D753-Y770 PolarHBondContact OD2-OH 3.38Å; D753-N782 WeakPolarHBondContact OD1-CB 3.35Å; D753-N782 PolarHBondContact OD1-ND2 3.43Å; D753-L785 HydrophobicContact CB-CD1 4.32Å; D753-L785 VanDerWaalsContact OD1-CD1 3.29Å; D753-L785 WeakPolarHBondContact OD1-CD1 3.47Å
754I93.4Very high91.9Very high0 Ų034 Ų340%016%0.161CC..Hα-helixtrans-68.5-43.9179.2-64.9163.3000111.9P684 W750 L751 C752 L756 G757 F759 A761 L762P684-I754 HydrophobicContact CB-CG2 4.31Å; P684-I754 HydrophobicContact CG-CG2 4.14Å; W750-I754 HydrophobicContact CD2-CD1 3.93Å; W750-I754 HydrophobicContact CE3-CD1 4.33Å; W750-I754 HydrophobicContact CG-CD1 4.5Å; W750-I754 HydrophobicContact CH2-CD1 4.02Å; W750-I754 HydrophobicContact CZ2-CD1 3.57Å; W750-I754 HydrophobicContact CZ3-CD1 4.37Å; W750-I754 WeakPolarHBondContact O-CD1 3.33Å; W750-I754 WeakPolarHBondContact O-CG1 3.27Å; W750-I754 PolarHBondContact O-N 2.88Å; L751-I754 PolarHBondContact O-N 2.9Å; C752-I754 VanDerWaalsContact C-N 3.28Å; C752-I754 PolarHBondContact O-N 3.28Å; I754-L756 PolarHBondContact O-N 3.22Å; I754-G757 PolarHBondContact O-N 2.96Å; I754-G757 VanDerWaalsContact O-N 3.09Å; I754-F759 HydrophobicContact CG2-CD1 4.42Å; I754-A761 HydrophobicContact CD1-CB 4.18Å; I754-A761 HydrophobicContact CG1-CB 3.7Å; I754-L762 HydrophobicContact CD1-CD2 3.63Å; I754-L762 HydrophobicContact CD1-CG 4.08Å; I754-L762 HydrophobicContact CG1-CD2 4.36Å; I754-L762 HydrophobicContact CG1-CG 4.33Å
755L92.1Very high91.7Very high0 Ų033.5 Ų33.50%016%0.156CC..Hα-helixtrans-61.6-30176.1-89.877000112.2T671 L672 F676 A677 M706 A710 L751 C752T671-L755 HydrophobicContact CG2-CB 3.96Å; T671-L755 HydrophobicContact CG2-CD2 4.43Å; L672-L755 HydrophobicContact CD2-CD2 4.35Å; F676-L755 WeakPolarHBondContact CA-O 3.31Å; F676-L755 HydrophobicContact CD1-CB 4.26Å; F676-L755 HydrophobicContact CD1-CD2 3.86Å; F676-L755 HydrophobicContact CD1-CG 4.29Å; F676-L755 HydrophobicContact CE1-CD2 3.82Å; A677-L755 PolarHBondContact N-O 2.72Å; M706-L755 HydrophobicContact CB-CD1 4.23Å; M706-L755 HydrophobicContact CB-CD2 3.95Å; M706-L755 HydrophobicContact CE-CD1 4.31Å; M706-L755 HydrophobicContact CE-CD2 4.2Å; M706-L755 HydrophobicContact CG-CD2 3.71Å; A710-L755 HydrophobicContact CB-CD1 4.02Å; L751-L755 HydrophobicContact CD1-CD1 3.87Å; L751-L755 HydrophobicContact CG-CD1 3.97Å; L751-L755 WeakPolarHBondContact O-CD1 3.29Å; L751-L755 PolarHBondContact O-N 3.02Å; L751-L755 VanDerWaalsContact O-N 3.14Å; C752-L755 PolarHBondContact O-N 3.22Å
756L91.8Very high91.4Very high10 Ų1041.3 Ų41.35%0.05219%0.192CC..THydrogen-bonded Turntrans-91.58.5178.7-60.4169.8000113.4T671 L674 C752 D753 I754 P781 L785 V786T671-L756 HydrophobicContact CG2-CD1 4Å; T671-L756 HydrophobicContact CG2-CD2 4.12Å; T671-L756 HydrophobicContact CG2-CG 3.83Å; L674-L756 HydrophobicContact CB-CD2 4.36Å; C752-L756 VanDerWaalsContact O-CG 3.31Å; C752-L756 WeakPolarHBondContact O-CG 3.45Å; C752-L756 PolarHBondContact O-N 2.63Å; D753-L756 CarbonylContact O-C 3.53Å; D753-L756 PolarHBondContact O-N 2.97Å; I754-L756 PolarHBondContact O-N 3.22Å; L756-P781 HydrophobicContact CD1-CB 3.63Å; L756-L785 HydrophobicContact CB-CB 4.15Å; L756-L785 HydrophobicContact CB-CD1 3.76Å; L756-V786 HydrophobicContact CD1-CG1 3.82Å; L756-V786 HydrophobicContact CD2-CG1 3.77Å; L756-V786 HydrophobicContact CG-CG1 4.3Å
757G87.8Confident91.1Very high25 Ų2545 Ų4526%0.25821%0.209SC..THydrogen-bonded Turntrans94.82.1168.500000116.3A677 D753 I754 F759A677-G757 VanDerWaalsContact CB-N 3.31Å; D753-G757 PolarHBondContact O-N 3.28Å; I754-G757 PolarHBondContact O-N 2.96Å; I754-G757 VanDerWaalsContact O-N 3.09Å; G757-F759 VanDerWaalsContact O-CD2 3.23Å; G757-F759 WeakPolarHBondContact O-CD2 3.07Å; G757-F759 PolarHBondContact O-N 2.68Å
758N89.8Confident90.8Very high31 Ų3148.4 Ų48.417%0.16623%0.234CC..  trans-78.371.5172.6-179.319.9000110.9D753 E760 A761 L785D753-N758 HydrophobicContact CB-CB 3.98Å; D753-N758 WeakPolarHBondContact O-CB 3.38Å; D753-N758 PolarHBondContact O-N 2.57Å; D753-N758 PolarHBondContact OD2-ND2 2.82Å; N758-E760 PolarHBondContact O-N 3Å; N758-E760 VanDerWaalsContact O-N 3.13Å; N758-A761 VanDerWaalsContact O-CB 3.22Å; N758-A761 WeakPolarHBondContact O-CB 3.34Å; N758-A761 PolarHBondContact O-N 2.88Å; N758-A761 VanDerWaalsContact O-N 3.07Å; N758-L785 HydrophobicContact CB-CD1 3.7Å; N758-L785 HydrophobicContact CB-CD2 4.1Å
759F89.1Confident90.6Very high88 Ų8853.3 Ų53.339%0.38625%0.253SS..THydrogen-bonded Turntrans-65.7-11.3179.5-55.1-63.8000113.7F678 P684 I754 G757 A761 L762F678-F759 HydrophobicContact CB-CZ 4.37Å; F678-F759 HydrophobicContact CD1-CE1 4.07Å; F678-F759 HydrophobicContact CD1-CZ 4.08Å; P684-F759 HydrophobicContact CB-CD1 4.06Å; P684-F759 HydrophobicContact CB-CE1 3.89Å; P684-F759 HydrophobicContact CG-CE1 4.16Å; I754-F759 HydrophobicContact CG2-CD1 4.42Å; G757-F759 VanDerWaalsContact O-CD2 3.23Å; G757-F759 WeakPolarHBondContact O-CD2 3.07Å; G757-F759 PolarHBondContact O-N 2.68Å; F759-A761 PolarHBondContact O-N 3.29Å; F759-L762 HydrophobicContact CB-CD1 4.46Å; F759-L762 HydrophobicContact CD1-CD1 4.43Å; F759-L762 WeakPolarHBondContact O-CB 3.21Å; F759-L762 PolarHBondContact O-N 3.32Å
760E87.1Confident90.5Very high120 Ų12052.2 Ų52.256%0.56125%0.247SC*.Hα-helixtrans-61.9-26.6169.6-59.4-156.6158.700112.3N758 L762 R763 Q764N758-E760 PolarHBondContact O-N 3Å; N758-E760 VanDerWaalsContact O-N 3.13Å; E760-L762 PolarHBondContact O-N 3.44Å; E760-L762 VanDerWaalsContact O-N 3.17Å; E760-R763 CarbonylContact O-C 3.53Å; E760-R763 PolarHBondContact O-N 3.36Å; E760-Q764 WeakPolarHBondContact O-CB 3.45Å; E760-Q764 WeakPolarHBondContact O-CG 3.28Å; E760-Q764 PolarHBondContact O-N 2.97Å; E760-Q764 PolarHBondContact OE2-NE2 2.85Å
761A89.7Confident90.2Very high1 Ų155 Ų551%0.00827%0.267CS..Hα-helixtrans-55.7-30.3174.400000113.2W750 D753 I754 N758 F759 Q764 I765 Y770W750-A761 PolarHBondContact NE1-O 2.79Å; D753-A761 HydrophobicContact CB-CB 4.38Å; I754-A761 HydrophobicContact CD1-CB 4.18Å; I754-A761 HydrophobicContact CG1-CB 3.7Å; N758-A761 VanDerWaalsContact O-CB 3.22Å; N758-A761 WeakPolarHBondContact O-CB 3.34Å; N758-A761 PolarHBondContact O-N 2.88Å; N758-A761 VanDerWaalsContact O-N 3.07Å; F759-A761 PolarHBondContact O-N 3.29Å; A761-Q764 CarbonylContact O-C 3.56Å; A761-I765 PolarHBondContact O-N 3.02Å; A761-Y770 HydrophobicContact CB-CE2 4.2Å; A761-Y770 VanDerWaalsContact CB-OH 3.29Å; A761-Y770 WeakPolarHBondContact CB-OH 3.43Å
762L89.4Confident89.9Confident44 Ų4458.1 Ų58.123%0.2329%0.285CS..Hα-helixtrans-67.2-38.3174.3-63.9168.6000111.9P684 W750 I754 F759 E760P684-L762 HydrophobicContact CB-CD1 4.29Å; W750-L762 HydrophobicContact CZ2-CD2 4.19Å; I754-L762 HydrophobicContact CD1-CD2 3.63Å; I754-L762 HydrophobicContact CD1-CG 4.08Å; I754-L762 HydrophobicContact CG1-CD2 4.36Å; I754-L762 HydrophobicContact CG1-CG 4.33Å; F759-L762 HydrophobicContact CB-CD1 4.46Å; F759-L762 HydrophobicContact CD1-CD1 4.43Å; F759-L762 WeakPolarHBondContact O-CB 3.21Å; F759-L762 PolarHBondContact O-N 3.32Å; E760-L762 PolarHBondContact O-N 3.44Å; E760-L762 VanDerWaalsContact O-N 3.17Å
763R87.9Confident89.5Confident231 Ų23159.9 Ų59.987%0.87229%0.293SS*.Hα-helixtrans-82.4-27.5178.7-61.1-177.768.7-171.70.9112.3E760E760-R763 CarbonylContact O-C 3.53Å; E760-R763 PolarHBondContact O-N 3.36Å
764Q88.3Confident88.7Confident81 Ų8165.7 Ų65.738%0.37933%0.328SS..  trans-113.939.1-174-54.1-167.442.200112.5E760 A761 Q766 H767 Y770E760-Q764 WeakPolarHBondContact O-CB 3.45Å; E760-Q764 WeakPolarHBondContact O-CG 3.28Å; E760-Q764 PolarHBondContact O-N 2.97Å; E760-Q764 PolarHBondContact OE2-NE2 2.85Å; A761-Q764 CarbonylContact O-C 3.56Å; Q764-Q766 PolarHBondContact O-N 3.46Å; Q764-H767 HydrophobicContact CB-CB 4.13Å; Q764-H767 WeakPolarHBondContact O-CB 3.47Å; Q764-H767 PolarHBondContact O-N 3.1Å; Q764-Y770 WeakPolarHBondContact O-CD2 3.37Å; Q764-Y770 WeakPolarHBondContact O-CE2 3.4Å
765I90.6Very high87.8Confident25 Ų2570.8 Ų70.813%0.12835%0.352CS..THydrogen-bonded Turntrans-48.8-35.6176.9-80.8166.7000112.8V724 P744 V746 W750 A761 H767V724-I765 HydrophobicContact CG2-CD1 4.01Å; P744-I765 HydrophobicContact CB-CG2 3.34Å; P744-I765 HydrophobicContact CG-CG2 3.76Å; V746-I765 HydrophobicContact CG1-CG2 4.11Å; W750-I765 HydrophobicContact CZ2-CD1 4Å; W750-I765 HydrophobicContact CZ2-CG1 3.89Å; A761-I765 PolarHBondContact O-N 3.02Å; I765-H767 VanDerWaalsContact C-N 3.32Å; I765-H767 PolarHBondContact O-N 3.01Å
766Q87.7Confident86.7Confident170 Ų17075.2 Ų75.279%0.79438%0.38SS*.THydrogen-bonded Turntrans-86.77.2-179.4-59.3-176.210.100114.2Q764Q764-Q766 PolarHBondContact O-N 3.46Å
767H89.1Confident86.2Confident78 Ų7880 Ų8036%0.36140%0.403SS..  trans-61.9141.1178.4-173.3-87.6000111.2Q764 I765 R769 Y770Q764-H767 HydrophobicContact CB-CB 4.13Å; Q764-H767 WeakPolarHBondContact O-CB 3.47Å; Q764-H767 PolarHBondContact O-N 3.1Å; I765-H767 VanDerWaalsContact C-N 3.32Å; I765-H767 PolarHBondContact O-N 3.01Å; H767-R769 VanDerWaalsContact C-N 3.25Å; H767-R769 WeakPolarHBondContact ND1-CB 3Å; H767-R769 PolarHBondContact ND1-N 2.71Å; H767-R769 PolarHBondContact O-N 3.16Å; H767-R769 VanDerWaalsContact O-N 3.11Å; H767-Y770 HydrophobicContact CB-CD2 3.93Å; H767-Y770 HydrophobicContact CB-CE2 3.97Å; H767-Y770 PolarHBondContact O-N 3.19Å
768S88Confident85.9Confident83 Ų8379.7 Ų79.758%0.5840%0.396SS*.G310 helixtrans-53-39.1-172.557.20000113.5Y770 S771 V772S768-Y770 PolarHBondContact O-N 3.01Å; S768-Y770 VanDerWaalsContact O-N 3.07Å; S768-S771 PolarHBondContact O-N 3.01Å; S768-V772 PolarHBondContact O-N 3.5Å
769R89.1Confident85.9Confident103 Ų10378.4 Ų78.439%0.38939%0.389SS..G310 helixtrans-40.1-45.4170.3175.2-179.2-75.1162.84112.8N747 D753 H767 N782N747-R769 PolarHBondContact ND2-O 3.14Å; D753-R769 IonicContact OD2-CZ 3.19Å; D753-R769 IonicContact OD2-NH1 3.02Å; D753-R769 PolarHBondContact OD2-NH1 2.8Å; H767-R769 VanDerWaalsContact C-N 3.25Å; H767-R769 WeakPolarHBondContact ND1-CB 3Å; H767-R769 PolarHBondContact ND1-N 2.71Å; H767-R769 PolarHBondContact O-N 3.16Å; H767-R769 VanDerWaalsContact O-N 3.11Å; R769-N782 PolarHBondContact NH1-ND2 3.13Å
770Y93.1Very high85.9Confident6 Ų677.3 Ų77.32%0.02439%0.386CS..G310 helixtrans-86.4-10.9-172.4-50.5-50.3000113.1V746 N747 W750 D753 A761 Q764 H767 S768V746-Y770 CarbonylContact C-O 3.48Å; V746-Y770 VanDerWaalsContact CA-O 3.28Å; V746-Y770 WeakPolarHBondContact CA-O 3.29Å; N747-Y770 PolarHBondContact N-O 3.09Å; N747-Y770 WeakPolarHBondContact OD1-CA 3.44Å; W750-Y770 VanDerWaalsContact CA-CD1 3.49Å; W750-Y770 HydrophobicContact CB-CD1 3.65Å; W750-Y770 HydrophobicContact CB-CE1 4.08Å; W750-Y770 HydrophobicContact CB-CG 3.94Å; W750-Y770 AromaticContact CD1-CD2 3.88Å; W750-Y770 AromaticContact CD1-CE2 3.93Å; W750-Y770 HydrophobicContact CG-CD1 4.45Å; W750-Y770 HydrophobicContact CG-CG 4.44Å; D753-Y770 PolarHBondContact OD2-OH 3.38Å; A761-Y770 HydrophobicContact CB-CE2 4.2Å; A761-Y770 VanDerWaalsContact CB-OH 3.29Å; A761-Y770 WeakPolarHBondContact CB-OH 3.43Å; Q764-Y770 WeakPolarHBondContact O-CD2 3.37Å; Q764-Y770 WeakPolarHBondContact O-CE2 3.4Å; H767-Y770 HydrophobicContact CB-CD2 3.93Å; H767-Y770 HydrophobicContact CB-CE2 3.97Å; H767-Y770 PolarHBondContact O-N 3.19Å; S768-Y770 PolarHBondContact O-N 3.01Å; S768-Y770 VanDerWaalsContact O-N 3.07Å
771S88.5Confident86Confident60 Ų6071.9 Ų71.942%0.4236%0.361SS..G310 helixtrans-99.25.6175.1-63.70000113.7S768 Y773S768-S771 PolarHBondContact O-N 3.01Å; S771-Y773 VanDerWaalsContact O-CD2 3.29Å; S771-Y773 WeakPolarHBondContact O-CD2 3.39Å; S771-Y773 VanDerWaalsContact O-CE2 3.26Å; S771-Y773 WeakPolarHBondContact O-CE2 3.22Å
772V87.6Confident85.9Confident64 Ų6472.5 Ų72.539%0.38837%0.365SS..  trans-100.2117.3176.8172.60000109.9N747 S768 T774N747-V772 PolarHBondContact ND2-O 3.27Å; S768-V772 PolarHBondContact O-N 3.5Å; V772-T774 WeakPolarHBondContact CG1-OG1 3.42Å
773Y85.4Confident85.7Confident38 Ų3874.5 Ų74.515%0.14938%0.38CS..  trans-104.18.2-172.1-62.8-82.3000114.1C727 K728 P730 C745 V746 N747 S771 Q775C727-Y773 HydrophobicContact CB-CE1 3.83Å; C727-Y773 WeakPolarHBondContact O-CE1 3.43Å; K728-Y773 WeakPolarHBondContact O-CD1 3.26Å; P730-Y773 HydrophobicContact CB-CD2 3.94Å; P730-Y773 HydrophobicContact CB-CE2 4.09Å; P730-Y773 HydrophobicContact CG-CD2 4.11Å; C745-Y773 PolarHBondContact O-OH 3.44Å; V746-Y773 PolarHBondContact N-OH 3.18Å; N747-Y773 HydrophobicContact CB-CD1 4.12Å; N747-Y773 HydrophobicContact CB-CE1 4.1Å; S771-Y773 VanDerWaalsContact O-CD2 3.29Å; S771-Y773 WeakPolarHBondContact O-CD2 3.39Å; S771-Y773 VanDerWaalsContact O-CE2 3.26Å; S771-Y773 WeakPolarHBondContact O-CE2 3.22Å; Y773-Q775 VanDerWaalsContact C-N 3.26Å; Y773-Q775 PolarHBondContact O-N 2.66Å
774T77.8Confident85.6Confident121 Ų12170.4 Ų70.474%0.74237%0.371SS*.  trans-88.128.5-174.260.10000113.8V772V772-T774 WeakPolarHBondContact CG1-OG1 3.42Å
775Q73.3Confident85.5Confident107 Ų10769.4 Ų69.450%0.537%0.368SS..  trans-97121-176-68.6-63.6-18.600111Y773Y773-Q775 VanDerWaalsContact C-N 3.26Å; Y773-Q775 PolarHBondContact O-N 2.66Å
776P70.8Confident85.5Confident93 Ų9368.3 Ų68.360%0.60436%0.362SS*.SBendtrans-71.1-33.4-176.227.2-34000113.2P778P776-P778 WeakPolarHBondContact O-CD 3.41Å
777E80.3Confident85.4Confident111 Ų11165 Ų6552%0.51935%0.346SS..SBendtrans-115.188.2173.3-68.5-164.6129.300110.2L779 M780E777-L779 PolarHBondContact O-N 2.96Å; E777-L779 VanDerWaalsContact O-N 3.16Å; E777-M780 HydrophobicContact CB-CB 4.34Å; E777-M780 HydrophobicContact CB-CG 3.61Å; E777-M780 HydrophobicContact CG-CG 4.48Å; E777-M780 PolarHBondContact O-N 3.49Å; E777-M780 VanDerWaalsContact OE2-CG 3.32Å; E777-M780 WeakPolarHBondContact OE2-CG 3.49Å
778P82Confident85.3Confident18 Ų1866.6 Ų66.612%0.11736%0.358CS..THydrogen-bonded Turntrans-68.9-17.2-168.626.6-35.6000114.7F695 A748 Q749 P776F695-P778 HydrophobicContact CD1-CG 4.48Å; F695-P778 HydrophobicContact CE1-CB 4Å; F695-P778 HydrophobicContact CE1-CG 3.86Å; A748-P778 HydrophobicContact CB-CB 4.28Å; Q749-P778 PolarHBondContact NE2-O 3.27Å; P776-P778 WeakPolarHBondContact O-CD 3.41Å
779L89.3Confident85.2Confident5 Ų562.9 Ų62.93%0.02633%0.331CS..THydrogen-bonded Turntrans-100.84.5-179-62.2175.7000114.3R670 T671 D699 D702 L703 M706 A748 E777R670-L779 WeakPolarHBondContact CA-O 3.45Å; T671-L779 PolarHBondContact N-O 3.47Å; T671-L779 PolarHBondContact OG1-O 2.88Å; D699-L779 HydrophobicContact CB-CD1 3.85Å; D702-L779 HydrophobicContact CB-CD1 3.79Å; L703-L779 HydrophobicContact CD2-CD2 3.81Å; L703-L779 HydrophobicContact CG-CD2 4Å; M706-L779 HydrophobicContact SD-CD2 4.16Å; A748-L779 HydrophobicContact CB-CD2 3.94Å; E777-L779 PolarHBondContact O-N 2.96Å; E777-L779 VanDerWaalsContact O-N 3.16Å
780M88.8Confident85.2Confident65 Ų6559.1 Ų59.132%0.3232%0.319SS..  trans-60.9139.1175.1-92.6-74.4-76.600111.4H669 Q749 E777H669-M780 VanDerWaalsContact C-SD 3.55Å; H669-M780 VanDerWaalsContact CA-SD 3.57Å; H669-M780 HydrophobicContact CB-SD 3.84Å; H669-M780 VanDerWaalsContact O-SD 3.32Å; Q749-M780 PolarHBondContact NE2-O 2.65Å; E777-M780 HydrophobicContact CB-CB 4.34Å; E777-M780 HydrophobicContact CB-CG 3.61Å; E777-M780 HydrophobicContact CG-CG 4.48Å; E777-M780 PolarHBondContact O-N 3.49Å; E777-M780 VanDerWaalsContact OE2-CG 3.32Å; E777-M780 WeakPolarHBondContact OE2-CG 3.49Å
781P89.3Confident84.9Confident6 Ų661 Ų614%0.03934%0.336CS..  trans-72.1140.3176.729.8-33.2000111.1L674 L756 P783 V786L674-P781 HydrophobicContact CD1-CB 4.02Å; L674-P781 HydrophobicContact CD1-CG 4Å; L756-P781 HydrophobicContact CD1-CB 3.63Å; P781-P783 VanDerWaalsContact O-CD 3.27Å; P781-P783 WeakPolarHBondContact O-CD 3.26Å; P781-V786 HydrophobicContact CB-CG1 3.94Å; P781-V786 HydrophobicContact CB-CG2 4.19Å; P781-V786 HydrophobicContact CG-CG2 4.34Å
782N87.3Confident84.8Confident14 Ų1458.9 Ų58.98%0.07532%0.322CS..  trans-60.7114.7177.1175.5-11.3000111.1D753 R769 Q784 L785 V786D753-N782 WeakPolarHBondContact OD1-CB 3.35Å; D753-N782 PolarHBondContact OD1-ND2 3.43Å; R769-N782 PolarHBondContact NH1-ND2 3.13Å; N782-Q784 PolarHBondContact O-N 3.46Å; N782-Q784 PolarHBondContact OD1-N 3.42Å; N782-L785 HydrophobicContact CB-CD1 4.11Å; N782-L785 HydrophobicContact CB-CG 4.18Å; N782-L785 PolarHBondContact O-N 3.29Å; N782-V786 PolarHBondContact O-N 3Å
783P86.2Confident84.9Confident86 Ų8655.9 Ų55.956%0.55830%0.304SS*.THydrogen-bonded Turntrans-58.5-25-171-28.536.4000115.4P781 Q787P781-P783 VanDerWaalsContact O-CD 3.27Å; P781-P783 WeakPolarHBondContact O-CD 3.26Å; P783-Q787 PolarHBondContact O-N 3.11Å
784Q85.9Confident84.9Confident144 Ų14459.4 Ų59.467%0.67332%0.317SS*.THydrogen-bonded Turntrans-73.9-36179-59.7-60.7-3200112N782N782-Q784 PolarHBondContact O-N 3.46Å; N782-Q784 PolarHBondContact OD1-N 3.42Å
785L86.6Confident85.1Confident61 Ų6158.3 Ų58.332%0.31931%0.31SS..THydrogen-bonded Turntrans-74.2-31.5177.9-57.8-178.8000111.8D753 L756 N758 N782D753-L785 HydrophobicContact CB-CD1 4.32Å; D753-L785 VanDerWaalsContact OD1-CD1 3.29Å; D753-L785 WeakPolarHBondContact OD1-CD1 3.47Å; L756-L785 HydrophobicContact CB-CB 4.15Å; L756-L785 HydrophobicContact CB-CD1 3.76Å; N758-L785 HydrophobicContact CB-CD1 3.7Å; N758-L785 HydrophobicContact CB-CD2 4.1Å; N782-L785 HydrophobicContact CB-CD1 4.11Å; N782-L785 HydrophobicContact CB-CG 4.18Å; N782-L785 PolarHBondContact O-N 3.29Å
786V88.9Confident85.5Confident1 Ų154.7 Ų54.71%0.00630%0.296CS..SBendtrans-104.38.9-172.2-53.50000114.1L674 L756 P781 N782 N788 L789 L790L674-V786 HydrophobicContact CD1-CB 3.84Å; L674-V786 HydrophobicContact CD1-CG1 3.56Å; L674-V786 HydrophobicContact CD1-CG2 4.32Å; L756-V786 HydrophobicContact CD1-CG1 3.82Å; L756-V786 HydrophobicContact CD2-CG1 3.77Å; L756-V786 HydrophobicContact CG-CG1 4.3Å; P781-V786 HydrophobicContact CB-CG1 3.94Å; P781-V786 HydrophobicContact CB-CG2 4.19Å; P781-V786 HydrophobicContact CG-CG2 4.34Å; N782-V786 PolarHBondContact O-N 3Å; V786-N788 PolarHBondContact O-N 2.58Å; V786-N788 VanDerWaalsContact O-N 3.15Å; V786-L789 HydrophobicContact CB-CB 4.39Å; V786-L789 HydrophobicContact CB-CD1 4.24Å; V786-L789 HydrophobicContact CG1-CD1 4.16Å; V786-L789 WeakPolarHBondContact O-CB 3.36Å; V786-L789 PolarHBondContact O-N 3.16Å; V786-L789 VanDerWaalsContact O-N 3.09Å; V786-L790 HydrophobicContact CB-CG 4.45Å; V786-L790 HydrophobicContact CG2-CD1 3.63Å; V786-L790 HydrophobicContact CG2-CG 4.01Å; V786-L790 WeakPolarHBondContact O-CG 3.35Å; V786-L790 PolarHBondContact O-N 2.61Å
787Q87Confident86Confident100 Ų10051 Ų5147%0.46727%0.272SS..THydrogen-bonded Turntrans-55.1-37.4-176.7-166.2-175.451.900112.9P783 A791P783-Q787 PolarHBondContact O-N 3.11Å; Q787-A791 PolarHBondContact O-N 2.95Å
788N86.2Confident86Confident112 Ų11252.4 Ų52.460%0.59928%0.276SS*.THydrogen-bonded Turntrans-73.1-43.6177.8-65.1-26.2000112.1V786 L790 A791V786-N788 PolarHBondContact O-N 2.58Å; V786-N788 VanDerWaalsContact O-N 3.15Å; N788-L790 VanDerWaalsContact C-N 3.27Å; N788-L790 PolarHBondContact O-N 3.11Å; N788-A791 VanDerWaalsContact O-CB 3.28Å; N788-A791 WeakPolarHBondContact O-CB 3.46Å; N788-A791 PolarHBondContact O-N 2.92Å; N788-A791 VanDerWaalsContact O-N 3.16Å
789L86.4Confident85.7Confident5 Ų552 Ų523%0.02627%0.273CS..THydrogen-bonded Turntrans-60.7-37175-73.3163.6000112Y640 C650 L674 V786Y640-L789 HydrophobicContact CE2-CD2 3.73Å; Y640-L789 WeakPolarHBondContact OH-CD2 3.43Å; C650-L789 HydrophobicContact CB-CD2 4.04Å; L674-L789 HydrophobicContact CB-CD1 4.29Å; L674-L789 HydrophobicContact CD1-CD1 4.24Å; L674-L789 HydrophobicContact CD2-CB 4.24Å; L674-L789 HydrophobicContact CD2-CD1 4.33Å; V786-L789 HydrophobicContact CB-CB 4.39Å; V786-L789 HydrophobicContact CB-CD1 4.24Å; V786-L789 HydrophobicContact CG1-CD1 4.16Å; V786-L789 WeakPolarHBondContact O-CB 3.36Å; V786-L789 PolarHBondContact O-N 3.16Å; V786-L789 VanDerWaalsContact O-N 3.09Å
790L89.6Confident84.9Confident25 Ų2555.8 Ų55.813%0.13130%0.296CS..THydrogen-bonded Turntrans-84-4.7178.6-62.1-177.4000113.9L570 P668 V786 N788 A792 W793L570-L790 HydrophobicContact CD1-CB 4.36Å; L570-L790 HydrophobicContact CD1-CD1 4.04Å; L570-L790 HydrophobicContact CD1-CD2 4.29Å; L570-L790 HydrophobicContact CD1-CG 4.47Å; P668-L790 HydrophobicContact CB-CD2 4.45Å; P668-L790 HydrophobicContact CG-CD2 4.47Å; V786-L790 HydrophobicContact CB-CG 4.45Å; V786-L790 HydrophobicContact CG2-CD1 3.63Å; V786-L790 HydrophobicContact CG2-CG 4.01Å; V786-L790 WeakPolarHBondContact O-CG 3.35Å; V786-L790 PolarHBondContact O-N 2.61Å; N788-L790 VanDerWaalsContact C-N 3.27Å; N788-L790 PolarHBondContact O-N 3.11Å; L790-A792 PolarHBondContact O-N 2.98Å; L790-W793 WeakPolarHBondContact O-CB 3.46Å; L790-W793 PolarHBondContact O-N 3.14Å; L790-W793 VanDerWaalsContact O-N 3.15Å
791A86.6Confident83.6Confident45 Ų4558.1 Ų58.137%0.37231%0.314SS..G310 helixtrans-61.9-44.7178.500000111.8Q787 N788 W793 R794Q787-A791 PolarHBondContact O-N 2.95Å; N788-A791 VanDerWaalsContact O-CB 3.28Å; N788-A791 WeakPolarHBondContact O-CB 3.46Å; N788-A791 PolarHBondContact O-N 2.92Å; N788-A791 VanDerWaalsContact O-N 3.16Å; A791-W793 PolarHBondContact O-N 3.05Å; A791-W793 VanDerWaalsContact O-N 3.09Å; A791-R794 WeakPolarHBondContact O-CB 2.99Å; A791-R794 PolarHBondContact O-N 3.22Å; A791-R794 VanDerWaalsContact O-N 3.11Å
792A86.1Confident82.4Confident16 Ų1664.8 Ų64.813%0.13235%0.345CS..G310 helixtrans-65.6-8.1176.700000114.6G647 R649 L790G647-A792 WeakPolarHBondContact O-CB 3.17Å; R649-A792 HydrophobicContact CB-CB 4.44Å; R649-A792 HydrophobicContact CG-CB 3.65Å; R649-A792 PolarHBondContact NE-O 3.01Å; L790-A792 PolarHBondContact O-N 2.98Å
793W88.7Confident81.3Confident0 Ų065.1 Ų65.10%035%0.35CS..G310 helixtrans-97.4-6.7176.9-66.687.5000113.2L570 F571 H629 R649 V651 W655 M665 P667 P668 L790 A791 T795L570-W793 CarbonylContact C-O 3.55Å; L570-W793 WeakPolarHBondContact CA-O 3.41Å; L570-W793 HydrophobicContact CB-CB 4.36Å; L570-W793 HydrophobicContact CD2-CB 4.08Å; F571-W793 PolarHBondContact N-O 2.95Å; H629-W793 AromaticContact NE2-CH2 3.52Å; H629-W793 AromaticContact NE2-CZ2 3.94Å; R649-W793 HydrophobicContact CB-CZ2 3.77Å; R649-W793 HydrophobicContact CG-CD2 4.19Å; R649-W793 HydrophobicContact CG-CG 4.44Å; R649-W793 HydrophobicContact CG-CZ2 3.99Å; V651-W793 HydrophobicContact CG1-CZ2 3.81Å; W655-W793 AromaticContact CE2-CH2 3.84Å; W655-W793 HydrophobicContact CH2-CH2 4.17Å; W655-W793 AromaticContact CZ2-CH2 3.41Å; W655-W793 HydrophobicContact CZ2-CH2 3.41Å; W655-W793 VanDerWaalsContact CZ2-CH2 3.41Å; W655-W793 HydrophobicContact CZ2-CZ2 4.18Å; W655-W793 HydrophobicContact CZ2-CZ3 4.26Å; M665-W793 HydrophobicContact CG-CZ3 4.31Å; P667-W793 HydrophobicContact CB-CD2 4.36Å; P667-W793 HydrophobicContact CB-CE3 4Å; P667-W793 HydrophobicContact CG-CE3 4.04Å; P668-W793 HydrophobicContact CG-CZ2 4.15Å; L790-W793 WeakPolarHBondContact O-CB 3.46Å; L790-W793 PolarHBondContact O-N 3.14Å; L790-W793 VanDerWaalsContact O-N 3.15Å; A791-W793 PolarHBondContact O-N 3.05Å; A791-W793 VanDerWaalsContact O-N 3.09Å; W793-T795 VanDerWaalsContact C-N 3.34Å
794R87Confident80.4Confident112 Ų11262.7 Ų62.742%0.42333%0.332SS..SBendtrans-75.8-23.7172.4-57.7-179.6-164.6176.78.1112.4L570 F571 A791L570-R794 HydrophobicContact CD2-CG 3.84Å; F571-R794 WeakPolarHBondContact CD2-O 3.28Å; A791-R794 WeakPolarHBondContact O-CB 2.99Å; A791-R794 PolarHBondContact O-N 3.22Å; A791-R794 VanDerWaalsContact O-N 3.11Å
795T82Confident79.5Confident98 Ų9859.2 Ų59.260%0.60132%0.32SS*.SBendtrans-95.6123.4172-51.60000109.2R649 W793R649-T795 PolarHBondContact NH2-O 3.19Å; W793-T795 VanDerWaalsContact C-N 3.34Å
796P80.6Confident78.6Confident32 Ų3260.8 Ų60.821%0.20833%0.329CS..PPolyproline II helixtrans-70.4152.5176.528.5-34.8000112.5F571 E574F571-P796 HydrophobicContact CB-CB 3.71Å; F571-P796 HydrophobicContact CG-CB 4.22Å; E574-P796 HydrophobicContact CB-CB 4.4Å; E574-P796 HydrophobicContact CG-CB 3.59Å; E574-P796 HydrophobicContact CG-CG 3.47Å; E574-P796 VanDerWaalsContact CG-CG 3.47Å
797V81.7Confident77.5Confident15 Ų1561.8 Ų61.89%0.09133%0.334CS..BIsolated β-bridgetrans-76.6124.6168.9174.10000109.3G572 H573 E574 M665G572-V797 PolarHBondContact O-N 3.02Å; H573-V797 WeakPolarHBondContact CA-O 3.25Å; E574-V797 PolarHBondContact N-O 3.33Å; M665-V797 HydrophobicContact CE-CB 3.69Å; M665-V797 HydrophobicContact CE-CG1 4.33Å; M665-V797 HydrophobicContact CE-CG2 3.58Å
798K79.2Confident76.5Confident141 Ų14162.2 Ų62.261%0.61334%0.336SS*.PPolyproline II helixtrans-85132.2174.1-55.4-168.4179.4-100.50110.1E574E574-K798 HydrophobicContact CG-CG 4.46Å; E574-K798 WeakPolarHBondContact OE1-CE 3.41Å; E574-K798 IonicContact OE1-NZ 3.77Å; E574-K798 PolarHBondContact OE1-NZ 2.82Å; E574-K798 IonicContact OE2-NZ 3.51Å
799V76.5Confident75.3Confident10 Ų1061.3 Ų61.36%0.06133%0.331CS..PPolyproline II helixtrans-96.8128.3171.6-173.60000108.9H573 I579 L586 L804H573-V799 VanDerWaalsContact CD2-CG2 3.49Å; H573-V799 WeakPolarHBondContact CD2-CG2 3.32Å; I579-V799 HydrophobicContact CD1-CG2 3.81Å; L586-V799 HydrophobicContact CB-CG1 4.49Å; L586-V799 HydrophobicContact CD2-CG1 3.58Å; L586-V799 HydrophobicContact CG-CG1 3.88Å; V799-L804 HydrophobicContact CG1-CD1 4Å; V799-L804 HydrophobicContact CG1-CD2 4.28Å; V799-L804 HydrophobicContact CG1-CG 3.75Å
800T73.4Confident74.1Confident83 Ų8366.3 Ų66.351%0.50936%0.357SS..PPolyproline II helixtrans-79.3141.8172.253.70000110.6E802 A803 L804T800-E802 PolarHBondContact O-N 3Å; T800-A803 WeakPolarHBondContact O-CB 3.48Å; T800-A803 PolarHBondContact O-N 3.18Å; T800-A803 WeakPolarHBondContact OG1-CB 3.41Å; T800-L804 PolarHBondContact O-N 3.48Å
801T61Low72.6Confident114 Ų11468.4 Ų68.470%0.69937%0.366SS*.Hα-helixtrans-57.8-36.2-178.4-27.90000112A803 L804 V805T801-A803 VanDerWaalsContact C-N 3.31Å; T801-A803 PolarHBondContact O-N 3.35Å; T801-L804 PolarHBondContact O-N 2.94Å; T801-V805 WeakPolarHBondContact O-CG2 3.24Å; T801-V805 PolarHBondContact O-N 3.2Å; T801-V805 VanDerWaalsContact O-N 3.09Å
802E63Low71.1Confident146 Ų14673.7 Ų73.768%0.68238%0.381SS*.Hα-helixtrans-58.3-39.2174.1-61.9168177.100112.7T800 V805 N806T800-E802 PolarHBondContact O-N 3Å; E802-V805 PolarHBondContact O-N 3.36Å; E802-N806 WeakPolarHBondContact O-CB 3.36Å; E802-N806 VanDerWaalsContact O-CG 3.29Å; E802-N806 PolarHBondContact O-N 3.47Å; E802-N806 PolarHBondContact O-ND2 2.92Å
803A64.6Low69.6Low21 Ų2179 Ų7917%0.17440%0.403CS..Hα-helixtrans-69.5-35.7-18000000111.7L586 T800 T801 L807L586-A803 HydrophobicContact CD1-CB 3.82Å; L586-A803 HydrophobicContact CD2-CB 4.17Å; L586-A803 HydrophobicContact CG-CB 3.97Å; T800-A803 WeakPolarHBondContact O-CB 3.48Å; T800-A803 PolarHBondContact O-N 3.18Å; T800-A803 WeakPolarHBondContact OG1-CB 3.41Å; T801-A803 VanDerWaalsContact C-N 3.31Å; T801-A803 PolarHBondContact O-N 3.35Å; A803-L807 WeakPolarHBondContact O-CB 3.49Å; A803-L807 PolarHBondContact O-N 3.47Å; A803-L807 VanDerWaalsContact O-N 3.09Å
804L67.8Low67.5Low36 Ų3686.8 Ų86.819%0.18844%0.437CS..Hα-helixtrans-66.1-44.3173.1-73.6162.3000111.3L586 V799 T800 T801 L807 Q808L586-L804 HydrophobicContact CD2-CD2 3.63Å; L586-L804 HydrophobicContact CD2-CG 3.87Å; V799-L804 HydrophobicContact CG1-CD1 4Å; V799-L804 HydrophobicContact CG1-CD2 4.28Å; V799-L804 HydrophobicContact CG1-CG 3.75Å; T800-L804 PolarHBondContact O-N 3.48Å; T801-L804 PolarHBondContact O-N 2.94Å; L804-L807 PolarHBondContact O-N 2.98Å; L804-Q808 WeakPolarHBondContact O-CG 3.47Å; L804-Q808 PolarHBondContact O-N 3.1Å
805V66.2Low65.7Low70 Ų7086.9 Ų86.942%0.42444%0.444SS..Hα-helixtrans-62.8-43.6177172.50000111.4T801 E802 L807 Q808 L809T801-V805 WeakPolarHBondContact O-CG2 3.24Å; T801-V805 PolarHBondContact O-N 3.2Å; T801-V805 VanDerWaalsContact O-N 3.09Å; E802-V805 PolarHBondContact O-N 3.36Å; V805-L807 VanDerWaalsContact C-N 3.32Å; V805-L807 PolarHBondContact O-N 3.31Å; V805-Q808 PolarHBondContact O-N 3.44Å; V805-L809 HydrophobicContact CG1-CD1 4.06Å; V805-L809 WeakPolarHBondContact O-CG 3.12Å; V805-L809 PolarHBondContact O-N 3.23Å
806N68.3Low63.6Low95 Ų9585.7 Ų85.751%0.50844%0.44SS..Hα-helixtrans-62.6-37.7176.3-74.4-30.4000112.6E802 L809 L810E802-N806 WeakPolarHBondContact O-CB 3.36Å; E802-N806 VanDerWaalsContact O-CG 3.29Å; E802-N806 PolarHBondContact O-N 3.47Å; E802-N806 PolarHBondContact O-ND2 2.92Å; N806-L809 PolarHBondContact O-N 3.22Å; N806-L810 WeakPolarHBondContact O-CG 3.33Å; N806-L810 PolarHBondContact O-N 3.35Å; N806-L810 VanDerWaalsContact O-N 3.07Å
807L66.8Low61.6Low21 Ų2190.9 Ų90.911%0.1147%0.466CS..Hα-helixtrans-69.5-37.2176.3-165.1139.4000112L586 A803 L804 V805 L810 Q811L586-L807 HydrophobicContact CD1-CD1 4.03Å; L586-L807 HydrophobicContact CD2-CD1 4.45Å; A803-L807 WeakPolarHBondContact O-CB 3.49Å; A803-L807 PolarHBondContact O-N 3.47Å; A803-L807 VanDerWaalsContact O-N 3.09Å; L804-L807 PolarHBondContact O-N 2.98Å; V805-L807 VanDerWaalsContact C-N 3.32Å; V805-L807 PolarHBondContact O-N 3.31Å; L807-L810 PolarHBondContact O-N 2.85Å; L807-Q811 HydrophobicContact CD2-CG 4.41Å; L807-Q811 WeakPolarHBondContact O-CG 3.38Å; L807-Q811 PolarHBondContact O-N 3.44Å
808Q64.7Low59.6Low109 Ų10994.4 Ų94.451%0.50949%0.491SS..Hα-helixtrans-66-35.2172.2-70.1171.84.900112.8L804 V805 Q811 K812L804-Q808 WeakPolarHBondContact O-CG 3.47Å; L804-Q808 PolarHBondContact O-N 3.1Å; V805-Q808 PolarHBondContact O-N 3.44Å; Q808-Q811 PolarHBondContact O-N 2.98Å; Q808-K812 PolarHBondContact O-N 3.44Å
809L62Low57.4Low93 Ų9393 Ų9349%0.48750%0.495SS..Hα-helixtrans-66.8-44.5174.9-74.9165.9000111.8V805 N806 Q811 K812 Q813V805-L809 HydrophobicContact CG1-CD1 4.06Å; V805-L809 WeakPolarHBondContact O-CG 3.12Å; V805-L809 PolarHBondContact O-N 3.23Å; N806-L809 PolarHBondContact O-N 3.22Å; L809-Q811 VanDerWaalsContact C-N 3.33Å; L809-Q811 PolarHBondContact O-N 2.97Å; L809-K812 PolarHBondContact O-N 3.13Å; L809-Q813 PolarHBondContact O-N 3.45Å; L809-Q813 VanDerWaalsContact O-N 3.15Å
810L59.9Low55.4Low111 Ų11199.5 Ų99.558%0.58153%0.529SS*.Hα-helixtrans-62.2-39.1173.7-73.9165.3000112N806 L807 Q813 K814N806-L810 WeakPolarHBondContact O-CG 3.33Å; N806-L810 PolarHBondContact O-N 3.35Å; N806-L810 VanDerWaalsContact O-N 3.07Å; L807-L810 PolarHBondContact O-N 2.85Å; L810-Q813 PolarHBondContact O-N 3.29Å; L810-K814 PolarHBondContact O-N 3.11Å; L810-K814 VanDerWaalsContact O-N 3.16Å
811Q59.3Low53.6Low68 Ų68101 Ų10132%0.31854%0.541SS..Hα-helixtrans-63.5-41173.7-75.8174.3-23.200112.2L807 Q808 L809 Q813 K814 I815L807-Q811 HydrophobicContact CD2-CG 4.41Å; L807-Q811 WeakPolarHBondContact O-CG 3.38Å; L807-Q811 PolarHBondContact O-N 3.44Å; Q808-Q811 PolarHBondContact O-N 2.98Å; L809-Q811 VanDerWaalsContact C-N 3.33Å; L809-Q811 PolarHBondContact O-N 2.97Å; Q811-Q813 PolarHBondContact O-N 3.26Å; Q811-K814 PolarHBondContact O-N 2.89Å; Q811-I815 WeakPolarHBondContact O-CG1 3.35Å; Q811-I815 PolarHBondContact O-N 3.26Å; Q811-I815 VanDerWaalsContact O-N 3.16Å
812K54.6Low52.2Low156 Ų156101.2 Ų101.268%0.67854%0.544SS*.Hα-helixtrans-60.2-41.2174.8-86.7-176172.1179.80113Q808 L809 K814 I815 S816Q808-K812 PolarHBondContact O-N 3.44Å; L809-K812 PolarHBondContact O-N 3.13Å; K812-K814 VanDerWaalsContact C-N 3.33Å; K812-K814 PolarHBondContact O-N 2.99Å; K812-I815 PolarHBondContact O-N 3.17Å; K812-S816 PolarHBondContact O-N 3.37Å
813Q53.3Low50.7Low129 Ų12999.1 Ų99.160%0.60355%0.545SS*.Hα-helixtrans-64.1-37.9175.4-71.1179.5-32.900112.3L809 L810 Q811 I815 S816L809-Q813 PolarHBondContact O-N 3.45Å; L809-Q813 VanDerWaalsContact O-N 3.15Å; L810-Q813 PolarHBondContact O-N 3.29Å; Q811-Q813 PolarHBondContact O-N 3.26Å; Q813-I815 VanDerWaalsContact C-N 3.28Å; Q813-I815 PolarHBondContact O-N 3.5Å; Q813-S816 PolarHBondContact O-N 3.47Å; Q813-S816 PolarHBondContact O-OG 3.24Å
814K46.6Very low49.1Very low162 Ų162105.3 Ų105.370%0.70458%0.575SS**Hα-helixtrans-70.4-23179.2-150173.1-172.8179.20113.8L810 Q811 K812 S818L810-K814 PolarHBondContact O-N 3.11Å; L810-K814 VanDerWaalsContact O-N 3.16Å; Q811-K814 PolarHBondContact O-N 2.89Å; K812-K814 VanDerWaalsContact C-N 3.33Å; K812-K814 PolarHBondContact O-N 2.99Å; K814-S818 PolarHBondContact O-OG 2.8Å
815I48.2Very low47.2Very low114 Ų114112.7 Ų112.759%0.58561%0.606SS**Hα-helixtrans-76.5-35.1176.8-69.2163.8000111.4Q811 K812 Q813 D817 S818Q811-I815 WeakPolarHBondContact O-CG1 3.35Å; Q811-I815 PolarHBondContact O-N 3.26Å; Q811-I815 VanDerWaalsContact O-N 3.16Å; K812-I815 PolarHBondContact O-N 3.17Å; Q813-I815 VanDerWaalsContact C-N 3.28Å; Q813-I815 PolarHBondContact O-N 3.5Å; I815-D817 VanDerWaalsContact C-N 3.34Å; I815-D817 PolarHBondContact O-N 3.29Å; I815-S818 WeakPolarHBondContact O-CB 3.36Å; I815-S818 PolarHBondContact O-N 3.34Å
816S37Very low45.5Very low74 Ų74118.3 Ų118.352%0.51763%0.625SS.*Hα-helixtrans-64.1-33.9176.8310000113.9K812 Q813 S818 T819K812-S816 PolarHBondContact O-N 3.37Å; Q813-S816 PolarHBondContact O-N 3.47Å; Q813-S816 PolarHBondContact O-OG 3.24Å; S816-S818 PolarHBondContact O-N 3.25Å; S816-T819 PolarHBondContact O-OG1 3.29Å
817D39.6Very low43.7Very low141 Ų141118 Ų11875%0.75464%0.635SS**THydrogen-bonded Turntrans-76.5-8.6177.5-64-27.5000113.2I815I815-D817 VanDerWaalsContact C-N 3.34Å; I815-D817 PolarHBondContact O-N 3.29Å
818S38.9Very low41.8Very low88 Ų88127.7 Ų127.762%0.61567%0.67SS**THydrogen-bonded Turntrans-88-4.9-174.3-61.50000114.1K814 I815 S816 N820K814-S818 PolarHBondContact O-OG 2.8Å; I815-S818 WeakPolarHBondContact O-CB 3.36Å; I815-S818 PolarHBondContact O-N 3.34Å; S816-S818 PolarHBondContact O-N 3.25Å; S818-N820 PolarHBondContact O-N 3.34Å
819T34.4Very low40.3Very low113 Ų113129.7 Ų129.769%0.69368%0.684SS**  trans-92.357.4-175.657.80000113.7S816S816-T819 PolarHBondContact O-OG1 3.29Å
820N34.1Very low38.7Very low145 Ų145132.8 Ų132.878%0.77570%0.696SS**  trans-140.6112.9165.5-94.1-52.7000110.4S818S818-N820 PolarHBondContact O-N 3.34Å
821P34.6Very low37.3Very low115 Ų115136.6 Ų136.675%0.74771%0.711SS**  trans-74.8132.6178.529.7-33000110.8S823P821-S823 PolarHBondContact O-N 3.16Å
822P32.6Very low36.3Very low118 Ų118138.9 Ų138.977%0.76672%0.724SS**  trans-64.8122.7174.426.3-33.1000109.9N824P822-N824 PolarHBondContact O-N 3.45Å
823S30.5Very low35.4Very low102 Ų102139.9 Ų139.971%0.71373%0.731SS**  trans-68.999.9-175.163.70000111.2P821 K825P821-S823 PolarHBondContact O-N 3.16Å; S823-K825 PolarHBondContact O-N 3.15Å
824N31Very low34.4Very low151 Ų151139 Ų13981%0.80774%0.738SS**  trans-69.969.1178.5-106.9-40.9000112.2P822 K826P822-N824 PolarHBondContact O-N 3.45Å; N824-K826 PolarHBondContact O-N 3.44Å
825K29.4Very low34Very low192 Ų192134.8 Ų134.884%0.83573%0.728SS**  trans-70.281.2163.1-74.5-172.7177.8179.30108.6S823 A827S823-K825 PolarHBondContact O-N 3.15Å; K825-A827 PolarHBondContact O-N 2.71Å
826K30.1Very low34Very low188 Ų188135.8 Ų135.882%0.81774%0.735SS**  trans-54.8106.9167-78.9-175.9173.9-179.50108.4N824 R828N824-K826 PolarHBondContact O-N 3.44Å; K826-R828 PolarHBondContact O-N 3.42Å; K826-R828 VanDerWaalsContact O-N 3.11Å
827A29.3Very low34.8Very low87 Ų87140.8 Ų140.872%0.71974%0.742SS**  trans-59.7115160.500000107K825 L829K825-A827 PolarHBondContact O-N 2.71Å; A827-L829 PolarHBondContact O-N 2.96Å
828R27.7Very low35.6Very low226 Ų226142.3 Ų142.385%0.85374%0.742SS**  trans-61.9109.1175.8179179.3-178.6171.8-1.4107.2K826 E830K826-R828 PolarHBondContact O-N 3.42Å; K826-R828 VanDerWaalsContact O-N 3.11Å; R828-E830 PolarHBondContact O-N 3.17Å; R828-E830 VanDerWaalsContact O-N 3.14Å
829L32.8Very low36.8Very low150 Ų150140.8 Ų140.879%0.78573%0.727SS**  trans-60.7118.2167.2-104.175.4000107.1A827A827-L829 PolarHBondContact O-N 2.96Å
830E29.7Very low38.3Very low158 Ų158139 Ų13974%0.73872%0.717SS**  trans-74.8129.1166.3-65.2-167.6139.400108.7R828 I832R828-E830 PolarHBondContact O-N 3.17Å; R828-E830 VanDerWaalsContact O-N 3.14Å; E830-I832 VanDerWaalsContact C-N 3.28Å; E830-I832 PolarHBondContact O-N 3.39Å
831E30.2Very low39.5Very low192 Ų192137.1 Ų137.190%0.89771%0.713SS**  trans-8277.9-179-170.5164.1-133.800109Q833E831-Q833 PolarHBondContact O-N 3.07Å; E831-Q833 VanDerWaalsContact O-N 3.07Å
832I37.3Very low40.7Very low115 Ų115140.9 Ų140.959%0.5972%0.72SS**  trans-65.9108.9-178.8-59.4176.8000109.1E830 W912E830-I832 VanDerWaalsContact C-N 3.28Å; E830-I832 PolarHBondContact O-N 3.39Å; I832-W912 HydrophobicContact CD1-CZ2 4.15Å
833Q36.1Very low42.5Very low178 Ų178138.9 Ų138.983%0.83271%0.709SS**  trans-60.7135.5170.4-65.7-178.2-2.700110.1E831 P835E831-Q833 PolarHBondContact O-N 3.07Å; E831-Q833 VanDerWaalsContact O-N 3.07Å; Q833-P835 VanDerWaalsContact O-CD 3.27Å; Q833-P835 WeakPolarHBondContact O-CD 3.17Å
834S32Very low45Very low109 Ų109134.5 Ų134.576%0.76268%0.678SS**  trans-81.4114.4-17039.30000113.2N836S834-N836 PolarHBondContact O-N 2.63Å
835P38.1Very low47.7Very low75 Ų75127.7 Ų127.749%0.48764%0.642SS.*  trans-75.5116.3169.6-6.225.2000108.3Q833 R837Q833-P835 VanDerWaalsContact O-CD 3.27Å; Q833-P835 WeakPolarHBondContact O-CD 3.17Å; P835-R837 PolarHBondContact O-N 3.07Å
836N47.9Very low50.6Low135 Ų135122 Ų12272%0.72262%0.615SS**  trans-78.558.6-178.3-156.4-30.1000111.5S834 K838S834-N836 PolarHBondContact O-N 2.63Å; N836-K838 VanDerWaalsContact C-N 3.27Å; N836-K838 PolarHBondContact O-N 3.42Å; N836-K838 WeakPolarHBondContact OD1-CE 3.35Å; N836-K838 WeakPolarHBondContact OD1-CG 3.39Å
837R55.7Low53.5Low178 Ų178113 Ų11367%0.67258%0.576SS**  trans-82.368.4-173.5-159-179.7-160.2-177.66.7110.8P835 L839P835-R837 PolarHBondContact O-N 3.07Å; R837-L839 PolarHBondContact O-N 3.34Å; R837-L839 VanDerWaalsContact O-N 3.12Å
838K54.9Low56.3Low173 Ų173109.5 Ų109.575%0.75255%0.545SS*.  trans-58.9114177.8-64.5-173.8179.1-1790110.6N836N836-K838 VanDerWaalsContact C-N 3.27Å; N836-K838 PolarHBondContact O-N 3.42Å; N836-K838 WeakPolarHBondContact OD1-CE 3.35Å; N836-K838 WeakPolarHBondContact OD1-CG 3.39Å
839L64.9Low59.1Low56 Ų5699.1 Ų99.129%0.29351%0.506SS..  trans-75.5157.9169.6-65.7173.3000110.3R837 T844 F917R837-L839 PolarHBondContact O-N 3.34Å; R837-L839 VanDerWaalsContact O-N 3.12Å; L839-T844 PolarHBondContact O-OG1 3.23Å; L839-F917 HydrophobicContact CD1-CD2 3.91Å; L839-F917 HydrophobicContact CD1-CE2 3.7Å
840P65.8Low61.6Low77 Ų7792.5 Ų92.550%0.547%0.472SS..  trans-56.8141.5172.1-24.234.2000111.3E842 S843 T844P840-E842 PolarHBondContact O-N 3.27Å; P840-S843 WeakPolarHBondContact O-CA 3.13Å; P840-S843 PolarHBondContact O-N 3.27Å; P840-T844 PolarHBondContact O-N 2.89Å; P840-T844 PolarHBondContact O-OG1 3.33Å; P840-T844 VanDerWaalsContact O-OG1 3.09Å
841P59.6Low63.7Low104 Ų10487.5 Ų87.568%0.67546%0.463SS*.THydrogen-bonded Turntrans-59-17.9-173-2735.3000116.2R846P841-R846 PolarHBondContact O-NH2 3.42Å
842E60Low66Low195 Ų19579.9 Ų79.991%0.91143%0.427SS*.THydrogen-bonded Turntrans-90.1-21177-169.6165.6-142.400112.9P840P840-E842 PolarHBondContact O-N 3.27Å
843S69.1Low67.6Low76 Ų7680.2 Ų80.253%0.53143%0.426SS..THydrogen-bonded Turntrans-101.1-15.1178.4-44.40000113.7P840 P845P840-S843 WeakPolarHBondContact O-CA 3.13Å; P840-S843 PolarHBondContact O-N 3.27Å; S843-P845 VanDerWaalsContact O-CD 3.25Å; S843-P845 WeakPolarHBondContact O-CD 3.49Å
844T83.4Confident69.3Low10 Ų1076.6 Ų76.66%0.06142%0.418CS..SBendtrans-68.2117.8179.9-59.70000111.9L839 P840 R846 E870L839-T844 PolarHBondContact O-OG1 3.23Å; P840-T844 PolarHBondContact O-N 2.89Å; P840-T844 PolarHBondContact O-OG1 3.33Å; P840-T844 VanDerWaalsContact O-OG1 3.09Å; T844-R846 PolarHBondContact O-N 2.91Å; T844-R846 VanDerWaalsContact O-N 3.11Å; T844-E870 HydrophobicContact CG2-CB 4.3Å; T844-E870 HydrophobicContact CG2-CG 3.86Å
845P87.3Confident71.3Confident8 Ų877.1 Ų77.15%0.05241%0.412CS..  trans-69.6112.3173.9-21.136.6000110.4S843 V847 E870 W907 F917S843-P845 VanDerWaalsContact O-CD 3.25Å; S843-P845 WeakPolarHBondContact O-CD 3.49Å; P845-V847 HydrophobicContact CB-CG2 4.12Å; P845-E870 PolarHBondContact O-N 3.26Å; P845-W907 HydrophobicContact CB-CH2 3.99Å; P845-W907 HydrophobicContact CG-CH2 4.33Å; P845-F917 HydrophobicContact CB-CE1 4.3Å; P845-F917 HydrophobicContact CB-CZ 4.36Å; P845-F917 HydrophobicContact CG-CD1 3.88Å; P845-F917 HydrophobicContact CG-CD2 3.63Å; P845-F917 HydrophobicContact CG-CE1 3.93Å; P845-F917 HydrophobicContact CG-CE2 3.69Å; P845-F917 HydrophobicContact CG-CG 3.73Å; P845-F917 HydrophobicContact CG-CZ 3.84Å
846R90.3Very high73.1Confident71 Ų7176.9 Ų76.927%0.26840%0.404SS..EExtended strand (participates in β ladder)trans-88.9105.9167.4-83.6176.8-78.4-97.6-4108.8P841 T844 E870 A872 K877 T879 H880P841-R846 PolarHBondContact O-NH2 3.42Å; T844-R846 PolarHBondContact O-N 2.91Å; T844-R846 VanDerWaalsContact O-N 3.11Å; R846-E870 CarbonylContact C-O 3.51Å; R846-E870 VanDerWaalsContact CA-O 3.3Å; R846-E870 WeakPolarHBondContact CA-O 3.35Å; R846-E870 WeakPolarHBondContact CD-OE2 3.4Å; R846-E870 HydrophobicContact CG-CB 3.78Å; R846-E870 WeakPolarHBondContact CG-OE2 3.4Å; R846-E870 IonicContact NH1-OE2 2.73Å; R846-E870 PolarHBondContact NH1-OE2 3.02Å; R846-A872 HydrophobicContact CB-CB 4.34Å; R846-K877 WeakPolarHBondContact CB-O 3.35Å; R846-K877 WeakPolarHBondContact CD-O 3.49Å; R846-T879 HydrophobicContact CB-CG2 4.45Å; R846-T879 PolarHBondContact N-OG1 2.97Å; R846-T879 PolarHBondContact O-N 2.88Å; R846-T879 PolarHBondContact O-OG1 2.94Å; R846-H880 PolarHBondContact O-N 3.43Å
847V90.6Very high74.6Confident0 Ų072.8 Ų72.80%038%0.384CS..EExtended strand (participates in β ladder)trans-108.2132-169.9-1710000110.6P845 L864 E870 V871 A872 H880 L882 W907P845-V847 HydrophobicContact CB-CG2 4.12Å; V847-L864 HydrophobicContact CB-CD1 4.42Å; V847-L864 HydrophobicContact CB-CD2 3.76Å; V847-L864 HydrophobicContact CG2-CD1 3.63Å; V847-L864 HydrophobicContact CG2-CD2 3.88Å; V847-L864 HydrophobicContact CG2-CG 4.43Å; V847-E870 PolarHBondContact N-O 2.84Å; V847-V871 WeakPolarHBondContact O-CA 3.44Å; V847-A872 PolarHBondContact O-N 3.05Å; V847-H880 WeakPolarHBondContact CA-O 3.4Å; V847-H880 HydrophobicContact CB-CB 4.43Å; V847-H880 HydrophobicContact CG1-CB 4.21Å; V847-H880 HydrophobicContact CG2-CB 4.13Å; V847-L882 HydrophobicContact CG1-CB 3.92Å; V847-W907 HydrophobicContact CG2-CH2 4.46Å; V847-W907 HydrophobicContact CG2-CZ3 4.14Å
848M88.8Confident75.7Confident13 Ų1369.8 Ų69.86%0.06438%0.378CS..EExtended strand (participates in β ladder)trans-100137.6167.5-175.7170.9-67.400109.8S874 A878 H880 L881 L882 K891M848-S874 VanDerWaalsContact CE-C 3.44Å; M848-A878 HydrophobicContact CB-CB 4.23Å; M848-H880 PolarHBondContact N-O 2.97Å; M848-L881 HydrophobicContact CB-CD1 3.93Å; M848-L881 HydrophobicContact CG-CD1 3.93Å; M848-L881 WeakPolarHBondContact O-CA 3.31Å; M848-L881 HydrophobicContact SD-CD1 4.32Å; M848-L882 PolarHBondContact O-N 2.92Å; M848-K891 HydrophobicContact CG-CB 4.39Å; M848-K891 HydrophobicContact CG-CD 4.12Å; M848-K891 HydrophobicContact CG-CG 4.38Å; M848-K891 HydrophobicContact SD-CB 3.66Å; M848-K891 HydrophobicContact SD-CD 4.13Å; M848-K891 HydrophobicContact SD-CG 3.74Å
849L86.3Confident77.2Confident8 Ų866.5 Ų66.54%0.04237%0.365CS..EExtended strand (participates in β ladder)trans-109.6132.6178.3-6391.9000110.9F852 Y860 V871 L882 K891L849-F852 HydrophobicContact CB-CD2 4.21Å; L849-F852 HydrophobicContact CD2-CD2 4.49Å; L849-Y860 HydrophobicContact CD2-CD2 3.94Å; L849-Y860 HydrophobicContact CD2-CG 4.16Å; L849-V871 HydrophobicContact CD1-CG1 4.25Å; L849-V871 HydrophobicContact CD1-CG2 4.33Å; L849-L882 HydrophobicContact CD2-CD2 3.99Å; L849-L882 HydrophobicContact CG-CB 4.36Å; L849-L882 HydrophobicContact CG-CD2 4.3Å; L849-K891 WeakPolarHBondContact O-CD 3.38Å; L849-K891 PolarHBondContact O-NZ 3.07Å
850T85.1Confident78.3Confident11 Ų1165 Ų657%0.06736%0.355CS..  trans-142.9150.6175.6-160.10000112.6F852 L881 L882 A883 T889 F892T850-F852 VanDerWaalsContact O-CD2 3.26Å; T850-F852 WeakPolarHBondContact O-CD2 3.4Å; T850-F852 WeakPolarHBondContact O-CE2 3.36Å; T850-L881 HydrophobicContact CG2-CD1 3.93Å; T850-L881 HydrophobicContact CG2-CD2 4.38Å; T850-L881 HydrophobicContact CG2-CG 4.32Å; T850-L882 PolarHBondContact N-O 3.08Å; T850-A883 HydrophobicContact CG2-CB 4.04Å; T850-T889 PolarHBondContact OG1-OG1 3.28Å; T850-F892 HydrophobicContact CG2-CB 4.27Å; T850-F892 HydrophobicContact CG2-CD2 4.13Å
851G74.9Confident79.2Confident53 Ų5363 Ų6355%0.54634%0.342SS..SBendtrans82.12.5178.800000116.8
852F78.9Confident80.5Confident32 Ų3264.6 Ų64.614%0.1434%0.338CS..  trans-105.4156.7-176.8-54.2-68.2000113.5L849 T850 Q856 V857 Y860 L882 P905L849-F852 HydrophobicContact CB-CD2 4.21Å; L849-F852 HydrophobicContact CD2-CD2 4.49Å; T850-F852 VanDerWaalsContact O-CD2 3.26Å; T850-F852 WeakPolarHBondContact O-CD2 3.4Å; T850-F852 WeakPolarHBondContact O-CE2 3.36Å; F852-Q856 HydrophobicContact CB-CB 4.16Å; F852-V857 HydrophobicContact CB-CG2 3.87Å; F852-Y860 AromaticContact CD1-CE2 3.93Å; F852-Y860 HydrophobicContact CD1-CE2 3.93Å; F852-Y860 HydrophobicContact CD2-CE2 4.47Å; F852-Y860 HydrophobicContact CE1-CE2 4.15Å; F852-Y860 HydrophobicContact CG-CD2 4.48Å; F852-Y860 HydrophobicContact CG-CE2 4.11Å; F852-L882 HydrophobicContact CE2-CB 4.28Å; F852-L882 HydrophobicContact CE2-CD2 4.15Å; F852-L882 HydrophobicContact CE2-CG 4.11Å; F852-L882 WeakPolarHBondContact CE2-O 3.09Å; F852-L882 HydrophobicContact CZ-CD2 4.41Å; F852-L882 HydrophobicContact CZ-CG 4.22Å; F852-P905 HydrophobicContact CE1-CG 3.69Å; F852-P905 HydrophobicContact CZ-CG 3.77Å
853E70.6Confident81.9Confident123 Ų12358.3 Ų58.358%0.57531%0.306SS*.  trans-75.8154.8174.8-65.1-168.4155.900112.4L855 Q856 V857E853-L855 VanDerWaalsContact C-N 3.28Å; E853-L855 PolarHBondContact O-N 3.42Å; E853-L855 VanDerWaalsContact O-N 3.14Å; E853-Q856 HydrophobicContact CB-CG 4.47Å; E853-Q856 VanDerWaalsContact N-OE1 3.08Å; E853-Q856 WeakPolarHBondContact O-CB 3.45Å; E853-Q856 PolarHBondContact O-N 3.49Å; E853-V857 WeakPolarHBondContact O-CG2 3.23Å; E853-V857 PolarHBondContact O-N 3.47Å
854P70.9Confident82.8Confident101 Ų10154.8 Ų54.866%0.65628%0.281SS*.Hα-helixtrans-54.4-37.3-175.7-28.836.1000115V857 Q858P854-V857 PolarHBondContact O-N 2.99Å; P854-Q858 WeakPolarHBondContact O-CG 3.39Å; P854-Q858 PolarHBondContact O-N 3.15Å
855L73.6Confident83Confident121 Ų12159.1 Ų59.163%0.63430%0.3SS*.Hα-helixtrans-64.3-43175.8-113.671.7000112.2E853 Q858 Q859E853-L855 VanDerWaalsContact C-N 3.28Å; E853-L855 PolarHBondContact O-N 3.42Å; E853-L855 VanDerWaalsContact O-N 3.14Å; L855-Q858 PolarHBondContact O-N 3.46Å; L855-Q859 WeakPolarHBondContact O-CG 3.26Å; L855-Q859 PolarHBondContact O-N 3.4Å
856Q76.6Confident82.9Confident70 Ų7059.8 Ų59.833%0.32731%0.307SS..Hα-helixtrans-65.7-43.6177.2-64.2170.7-16.700110.4F852 E853 Q858 Q859 Y860F852-Q856 HydrophobicContact CB-CB 4.16Å; E853-Q856 HydrophobicContact CB-CG 4.47Å; E853-Q856 VanDerWaalsContact N-OE1 3.08Å; E853-Q856 WeakPolarHBondContact O-CB 3.45Å; E853-Q856 PolarHBondContact O-N 3.49Å; Q856-Q858 VanDerWaalsContact C-N 3.3Å; Q856-Q858 PolarHBondContact O-N 2.76Å; Q856-Q859 PolarHBondContact O-N 2.87Å; Q856-Q859 VanDerWaalsContact O-N 3.11Å; Q856-Y860 HydrophobicContact CB-CD2 4.29Å; Q856-Y860 HydrophobicContact CB-CE2 3.94Å; Q856-Y860 WeakPolarHBondContact O-CD2 3.47Å; Q856-Y860 PolarHBondContact O-N 3.35Å
857V79.1Confident82.6Confident48 Ų4857 Ų5729%0.29130%0.297SS..Hα-helixtrans-57.7-42.7175.4176.40000111.1F852 E853 P854 T861F852-V857 HydrophobicContact CB-CG2 3.87Å; E853-V857 WeakPolarHBondContact O-CG2 3.23Å; E853-V857 PolarHBondContact O-N 3.47Å; P854-V857 PolarHBondContact O-N 2.99Å; V857-T861 WeakPolarHBondContact O-CB 3.2Å; V857-T861 PolarHBondContact O-N 2.86Å; V857-T861 PolarHBondContact O-OG1 2.76Å
858Q79.2Confident82.3Confident116 Ų11657.6 Ų57.654%0.54230%0.304SS..Hα-helixtrans-63.9-41.9174.6-72-179.611.800112.8P854 L855 Q856 K862P854-Q858 WeakPolarHBondContact O-CG 3.39Å; P854-Q858 PolarHBondContact O-N 3.15Å; L855-Q858 PolarHBondContact O-N 3.46Å; Q856-Q858 VanDerWaalsContact C-N 3.3Å; Q856-Q858 PolarHBondContact O-N 2.76Å; Q858-K862 WeakPolarHBondContact O-CG 3.2Å; Q858-K862 PolarHBondContact O-N 3.46Å
859Q85.3Confident82.2Confident103 Ų10357.1 Ų57.148%0.48130%0.302SS..Hα-helixtrans-64.3-49.4178-73.2173.1-16.500112L855 Q856 T861 K862 R863L855-Q859 WeakPolarHBondContact O-CG 3.26Å; L855-Q859 PolarHBondContact O-N 3.4Å; Q856-Q859 PolarHBondContact O-N 2.87Å; Q856-Q859 VanDerWaalsContact O-N 3.11Å; Q859-T861 PolarHBondContact O-N 2.94Å; Q859-K862 PolarHBondContact O-N 3.4Å; Q859-R863 PolarHBondContact O-N 2.89Å; Q859-R863 VanDerWaalsContact O-N 3.09Å
860Y87.9Confident82.3Confident24 Ų2460.9 Ų60.99%0.09432%0.319CS..Hα-helixtrans-63.4-39.8177-64.1-44.7000111.9L849 F852 Q856 K862 R863 L864 L882 L908 E909L849-Y860 HydrophobicContact CD2-CD2 3.94Å; L849-Y860 HydrophobicContact CD2-CG 4.16Å; F852-Y860 AromaticContact CD1-CE2 3.93Å; F852-Y860 HydrophobicContact CD1-CE2 3.93Å; F852-Y860 HydrophobicContact CD2-CE2 4.47Å; F852-Y860 HydrophobicContact CE1-CE2 4.15Å; F852-Y860 HydrophobicContact CG-CD2 4.48Å; F852-Y860 HydrophobicContact CG-CE2 4.11Å; Q856-Y860 HydrophobicContact CB-CD2 4.29Å; Q856-Y860 HydrophobicContact CB-CE2 3.94Å; Q856-Y860 WeakPolarHBondContact O-CD2 3.47Å; Q856-Y860 PolarHBondContact O-N 3.35Å; Y860-K862 PolarHBondContact O-N 3.26Å; Y860-R863 PolarHBondContact O-N 2.74Å; Y860-L864 VanDerWaalsContact O-CB 3.27Å; Y860-L864 WeakPolarHBondContact O-CB 3.41Å; Y860-L864 PolarHBondContact O-N 2.92Å; Y860-L882 HydrophobicContact CD2-CD2 4.35Å; Y860-L882 HydrophobicContact CG-CD2 4.34Å; Y860-L908 HydrophobicContact CD1-CD2 4.05Å; Y860-L908 HydrophobicContact CG-CD2 4.2Å; Y860-E909 HydrophobicContact CE1-CG 4.48Å
861T86.5Confident82.4Confident35 Ų3563 Ų6322%0.21533%0.332CS..Hα-helixtrans-59.5-43.7175-62.20000111.8V857 Q859 L864 H865 V871V857-T861 WeakPolarHBondContact O-CB 3.2Å; V857-T861 PolarHBondContact O-N 2.86Å; V857-T861 PolarHBondContact O-OG1 2.76Å; Q859-T861 PolarHBondContact O-N 2.94Å; T861-L864 PolarHBondContact O-N 2.96Å; T861-H865 PolarHBondContact O-CD2 3.19Å; T861-H865 PolarHBondContact O-N 3.15Å; T861-V871 HydrophobicContact CG2-CG2 3.78Å
862K86.2Confident82.8Confident138 Ų13861 Ų6160%0.631%0.31SS*.Hα-helixtrans-62.9-47.1176.6-75176.4178.9-175.20112.2Q858 Q859 Y860 A866Q858-K862 WeakPolarHBondContact O-CG 3.2Å; Q858-K862 PolarHBondContact O-N 3.46Å; Q859-K862 PolarHBondContact O-N 3.4Å; Y860-K862 PolarHBondContact O-N 3.26Å; K862-A866 WeakPolarHBondContact O-CB 3.44Å; K862-A866 PolarHBondContact O-N 3.13Å
863R88.5Confident82.6Confident64 Ų6464.1 Ų64.124%0.24233%0.325CS..Hα-helixtrans-61.7-44.6176.8-68.1179.8-173.5162-2.4111.9Q859 Y860 A866 L867 E909 W912Q859-R863 PolarHBondContact O-N 2.89Å; Q859-R863 VanDerWaalsContact O-N 3.09Å; Y860-R863 PolarHBondContact O-N 2.74Å; R863-A866 PolarHBondContact O-N 3.41Å; R863-L867 WeakPolarHBondContact O-CG 3.45Å; R863-L867 PolarHBondContact O-N 3.14Å; R863-E909 IonicContact CZ-OE1 3.33Å; R863-E909 IonicContact NH1-OE1 3.46Å; R863-E909 PolarHBondContact NH1-OE1 3.01Å; R863-E909 IonicContact NH2-OE1 3.87Å; R863-E909 PolarHBondContact NH2-OE1 3.39Å; R863-W912 HydrophobicContact CB-CD2 4.05Å; R863-W912 HydrophobicContact CB-CE3 3.96Å; R863-W912 HydrophobicContact CB-CG 4.3Å; R863-W912 HydrophobicContact CG-CD2 3.85Å; R863-W912 HydrophobicContact CG-CE3 4.22Å; R863-W912 HydrophobicContact CG-CG 4Å
864L89.2Confident82.9Confident1 Ų159.3 Ų59.31%0.00531%0.305CS..Hα-helixtrans-60.2-48.1179.6-179.564.8000112V847 Y860 T861 L867 G868 G869 V871 L908 F917V847-L864 HydrophobicContact CB-CD1 4.42Å; V847-L864 HydrophobicContact CB-CD2 3.76Å; V847-L864 HydrophobicContact CG2-CD1 3.63Å; V847-L864 HydrophobicContact CG2-CD2 3.88Å; V847-L864 HydrophobicContact CG2-CG 4.43Å; Y860-L864 VanDerWaalsContact O-CB 3.27Å; Y860-L864 WeakPolarHBondContact O-CB 3.41Å; Y860-L864 PolarHBondContact O-N 2.92Å; T861-L864 PolarHBondContact O-N 2.96Å; L864-L867 PolarHBondContact O-N 3.07Å; L864-G868 PolarHBondContact O-N 3.16Å; L864-G869 WeakPolarHBondContact O-CA 3.35Å; L864-G869 PolarHBondContact O-N 3.42Å; L864-V871 HydrophobicContact CD2-CG2 3.9Å; L864-L908 HydrophobicContact CB-CD1 4.27Å; L864-L908 HydrophobicContact CD1-CD1 4.1Å; L864-F917 HydrophobicContact CD1-CE1 3.91Å; L864-F917 HydrophobicContact CD1-CZ 3.93Å
865H87.9Confident83.5Confident101 Ų10154.9 Ų54.947%0.46828%0.277SS..Hα-helixtrans-66-36.9177.6-73.9-42.2000113T861 L867 G868 G869T861-H865 PolarHBondContact O-CD2 3.19Å; T861-H865 PolarHBondContact O-N 3.15Å; H865-L867 PolarHBondContact O-N 3.16Å; H865-G868 PolarHBondContact O-N 2.92Å; H865-G869 PolarHBondContact ND1-O 3.24Å
866A85.2Confident83.9Confident23 Ų2353.6 Ų53.619%0.1927%0.268CS..Hα-helixtrans-70-18.4175.600000113.6K862 R863 G868 W912K862-A866 WeakPolarHBondContact O-CB 3.44Å; K862-A866 PolarHBondContact O-N 3.13Å; R863-A866 PolarHBondContact O-N 3.41Å; A866-G868 VanDerWaalsContact C-N 3.34Å; A866-W912 HydrophobicContact CB-CH2 3.79Å; A866-W912 HydrophobicContact CB-CZ3 3.47Å; A866-W912 VanDerWaalsContact CB-CZ3 3.47Å
867L84.1Confident84.3Confident12 Ų1256.2 Ų56.26%0.06328%0.278CS..THydrogen-bonded Turntrans-84.5-2.7167.2-69.2166.5000113.8R863 L864 H865 L908 S911 W912 F917R863-L867 WeakPolarHBondContact O-CG 3.45Å; R863-L867 PolarHBondContact O-N 3.14Å; L864-L867 PolarHBondContact O-N 3.07Å; H865-L867 PolarHBondContact O-N 3.16Å; L867-L908 HydrophobicContact CD1-CD1 3.96Å; L867-S911 WeakPolarHBondContact CD2-O 3.32Å; L867-W912 HydrophobicContact CD1-CB 4.4Å; L867-W912 HydrophobicContact CD1-CE3 4.28Å; L867-W912 HydrophobicContact CD2-CE3 4.18Å; L867-W912 HydrophobicContact CG-CE3 3.89Å; L867-W912 HydrophobicContact CG-CZ3 4.37Å; L867-F917 HydrophobicContact CB-CE1 4.1Å; L867-F917 HydrophobicContact CB-CE2 3.84Å; L867-F917 HydrophobicContact CB-CZ 3.49Å; L867-F917 VanDerWaalsContact CB-CZ 3.49Å; L867-F917 HydrophobicContact CD1-CD1 4.49Å; L867-F917 HydrophobicContact CD1-CE1 3.92Å; L867-F917 HydrophobicContact CD1-CZ 4.19Å; L867-F917 HydrophobicContact CG-CZ 4.47Å; L867-F917 WeakPolarHBondContact O-CE2 3.37Å
868G83.9Confident84.7Confident13 Ų1354.4 Ų54.413%0.13427%0.268CS..THydrogen-bonded Turntrans81.414.4-173.800000114.6L864 H865 A866L864-G868 PolarHBondContact O-N 3.16Å; H865-G868 PolarHBondContact O-N 2.92Å; A866-G868 VanDerWaalsContact C-N 3.34Å
869G86.9Confident85.3Confident2 Ų250.6 Ų50.62%0.02125%0.252CS..  trans-88169.217300000113.9L864 H865L864-G869 WeakPolarHBondContact O-CA 3.35Å; L864-G869 PolarHBondContact O-N 3.42Å; H865-G869 PolarHBondContact ND1-O 3.24Å
870E87.3Confident85.7Confident88 Ų8846.1 Ų46.141%0.41123%0.232SC..EExtended strand (participates in β ladder)trans-125.6139.1-175.5-73.3178.2166.400111.5T844 P845 R846 V847T844-E870 HydrophobicContact CG2-CB 4.3Å; T844-E870 HydrophobicContact CG2-CG 3.86Å; P845-E870 PolarHBondContact O-N 3.26Å; R846-E870 CarbonylContact C-O 3.51Å; R846-E870 VanDerWaalsContact CA-O 3.3Å; R846-E870 WeakPolarHBondContact CA-O 3.35Å; R846-E870 WeakPolarHBondContact CD-OE2 3.4Å; R846-E870 HydrophobicContact CG-CB 3.78Å; R846-E870 WeakPolarHBondContact CG-OE2 3.4Å; R846-E870 IonicContact NH1-OE2 2.73Å; R846-E870 PolarHBondContact NH1-OE2 3.02Å; V847-E870 PolarHBondContact N-O 2.84Å
871V87.3Confident85.9Confident56 Ų5645 Ų4534%0.33923%0.227SC..EExtended strand (participates in β ladder)trans-77.9125.3167.4-179.90000108.9V847 L849 T861 L864 E873V847-V871 WeakPolarHBondContact O-CA 3.44Å; L849-V871 HydrophobicContact CD1-CG1 4.25Å; L849-V871 HydrophobicContact CD1-CG2 4.33Å; T861-V871 HydrophobicContact CG2-CG2 3.78Å; L864-V871 HydrophobicContact CD2-CG2 3.9Å; V871-E873 PolarHBondContact O-N 2.94Å
872A84.1Confident86.2Confident11 Ų1143.3 Ų43.39%0.09122%0.217CC..  trans-75.1123.5-177.600000112.1R846 V847 S874 A878R846-A872 HydrophobicContact CB-CB 4.34Å; V847-A872 PolarHBondContact O-N 3.05Å; A872-S874 VanDerWaalsContact C-N 3.31Å; A872-S874 PolarHBondContact O-N 3.15Å; A872-A878 HydrophobicContact CB-CB 3.76Å
873E74.8Confident86.4Confident96 Ų9636.8 Ų36.845%0.44919%0.189SC..SBendtrans-71.5-21.1176.5-62.1-159.5125.500113.7K38 L45 V871K38-E873 IonicContact NZ-OE1 3.53Å; K38-E873 PolarHBondContact NZ-OE1 2.92Å; K38-E873 IonicContact NZ-OE2 3.2Å; K38-E873 PolarHBondContact NZ-OE2 3.48Å; L45-E873 WeakPolarHBondContact CD1-O 3.42Å; V871-E873 PolarHBondContact O-N 2.94Å
874S76.8Confident86.3Confident23 Ų2336.9 Ų36.916%0.16120%0.199CC..SBendtrans-151.2162.8177.780.90000111.4M848 A872 Q876 K877 A878M848-S874 VanDerWaalsContact CE-C 3.44Å; A872-S874 VanDerWaalsContact C-N 3.31Å; A872-S874 PolarHBondContact O-N 3.15Å; S874-Q876 VanDerWaalsContact C-N 3.32Å; S874-Q876 PolarHBondContact O-N 2.93Å; S874-Q876 PolarHBondContact OG-OE1 3.4Å; S874-K877 PolarHBondContact O-N 2.84Å; S874-A878 PolarHBondContact O-N 2.87Å
875S83.7Confident86Confident8 Ų842.6 Ų42.66%0.05622%0.224CC..G310 helixtrans-68.6-30.5-176.5610000113.1K877 A878 S894S875-K877 PolarHBondContact O-N 2.77Å; S875-A878 WeakPolarHBondContact O-CB 3.46Å; S875-A878 PolarHBondContact O-N 3.2Å; S875-A878 VanDerWaalsContact O-N 3.07Å; S875-S894 WeakPolarHBondContact CB-O 3.44Å; S875-S894 PolarHBondContact OG-O 2.89Å
876Q82.4Confident85.6Confident94 Ų9438.4 Ų38.444%0.43921%0.205SC..G310 helixtrans-68.5-17.1176.7-47.383.8-3.400113.2S874S874-Q876 VanDerWaalsContact C-N 3.32Å; S874-Q876 PolarHBondContact O-N 2.93Å; S874-Q876 PolarHBondContact OG-OE1 3.4Å
877K83.9Confident85.2Confident125 Ų12538.9 Ų38.954%0.54321%0.206SC..G310 helixtrans-100.7-7.6173.8-63.3-179.9-178177.90112.5R846 S874 S875R846-K877 WeakPolarHBondContact CB-O 3.35Å; R846-K877 WeakPolarHBondContact CD-O 3.49Å; S874-K877 PolarHBondContact O-N 2.84Å; S875-K877 PolarHBondContact O-N 2.77Å
878A88.4Confident84.8Confident9 Ų941.8 Ų41.87%0.07422%0.216CC..  trans-80.8137.7-178.800000111M848 A872 S874 S875 I899M848-A878 HydrophobicContact CB-CB 4.23Å; A872-A878 HydrophobicContact CB-CB 3.76Å; S874-A878 PolarHBondContact O-N 2.87Å; S875-A878 WeakPolarHBondContact O-CB 3.46Å; S875-A878 PolarHBondContact O-N 3.2Å; S875-A878 VanDerWaalsContact O-N 3.07Å; A878-I899 HydrophobicContact CB-CG2 3.93Å
879T91.4Very high84.6Confident36 Ų3643.3 Ų43.322%0.22122%0.223CC..SBendtrans-99.5-35.3170.752.60000110.8R846 K900 H901R846-T879 HydrophobicContact CB-CG2 4.45Å; R846-T879 PolarHBondContact N-OG1 2.97Å; R846-T879 PolarHBondContact O-N 2.88Å; R846-T879 PolarHBondContact O-OG1 2.94Å; T879-K900 PolarHBondContact O-N 3.36Å; T879-K900 VanDerWaalsContact O-N 3.1Å; T879-H901 PolarHBondContact O-N 2.82Å
880H92.9Very high84.5Confident10 Ų1045.8 Ų45.85%0.04624%0.237CC..EExtended strand (participates in β ladder)trans-127.6143.9-175-64.978.4000110.8R846 V847 M848 H901 W907 E920R846-H880 PolarHBondContact O-N 3.43Å; V847-H880 WeakPolarHBondContact CA-O 3.4Å; V847-H880 HydrophobicContact CB-CB 4.43Å; V847-H880 HydrophobicContact CG1-CB 4.21Å; V847-H880 HydrophobicContact CG2-CB 4.13Å; M848-H880 PolarHBondContact N-O 2.97Å; H880-H901 WeakPolarHBondContact CA-O 3.16Å; H880-H901 AromaticContact NE2-CD2 3.62Å; H880-W907 AromaticContact NE2-CZ2 3.84Å; H880-E920 IonicContact CE1-OE1 2.66Å; H880-E920 WeakPolarHBondContact NE2-CG 3.23Å; H880-E920 IonicContact NE2-OE1 2.79Å; H880-E920 PolarHBondContact NE2-OE1 3.33Å
881L93.1Very high84.4Confident0 Ų046 Ų460%024%0.237CC..EExtended strand (participates in β ladder)trans-112.4119162.9-177.372.2000109M848 T850 F892 A895 I899 H901 I902 V903M848-L881 HydrophobicContact CB-CD1 3.93Å; M848-L881 HydrophobicContact CG-CD1 3.93Å; M848-L881 WeakPolarHBondContact O-CA 3.31Å; M848-L881 HydrophobicContact SD-CD1 4.32Å; T850-L881 HydrophobicContact CG2-CD1 3.93Å; T850-L881 HydrophobicContact CG2-CD2 4.38Å; T850-L881 HydrophobicContact CG2-CG 4.32Å; L881-F892 HydrophobicContact CD2-CB 4.2Å; L881-F892 HydrophobicContact CD2-CD2 3.44Å; L881-F892 VanDerWaalsContact CD2-CD2 3.44Å; L881-F892 HydrophobicContact CD2-CE2 3.9Å; L881-F892 HydrophobicContact CD2-CG 3.87Å; L881-A895 HydrophobicContact CD1-CB 4.23Å; L881-A895 HydrophobicContact CD2-CB 4.25Å; L881-I899 HydrophobicContact CB-CD1 3.51Å; L881-I899 HydrophobicContact CD2-CD1 4.19Å; L881-I899 HydrophobicContact CG-CD1 4.49Å; L881-H901 PolarHBondContact N-O 2.67Å; L881-I902 HydrophobicContact CB-CG1 4.35Å; L881-I902 HydrophobicContact CD2-CG1 4.37Å; L881-I902 HydrophobicContact CD2-CG2 4.39Å; L881-I902 WeakPolarHBondContact O-CA 3.41Å; L881-V903 PolarHBondContact O-N 2.93Å
882L92.8Very high84.4Confident0 Ų043.4 Ų43.40%022%0.221CC..EExtended strand (participates in β ladder)trans-85.9120.8170.3-15973.8000108.6V847 M848 L849 T850 F852 Y860 V903 T904 W907 L908V847-L882 HydrophobicContact CG1-CB 3.92Å; M848-L882 PolarHBondContact O-N 2.92Å; L849-L882 HydrophobicContact CD2-CD2 3.99Å; L849-L882 HydrophobicContact CG-CB 4.36Å; L849-L882 HydrophobicContact CG-CD2 4.3Å; T850-L882 PolarHBondContact N-O 3.08Å; F852-L882 HydrophobicContact CE2-CB 4.28Å; F852-L882 HydrophobicContact CE2-CD2 4.15Å; F852-L882 HydrophobicContact CE2-CG 4.11Å; F852-L882 WeakPolarHBondContact CE2-O 3.09Å; F852-L882 HydrophobicContact CZ-CD2 4.41Å; F852-L882 HydrophobicContact CZ-CG 4.22Å; Y860-L882 HydrophobicContact CD2-CD2 4.35Å; Y860-L882 HydrophobicContact CG-CD2 4.34Å; L882-V903 WeakPolarHBondContact CA-O 3.39Å; L882-V903 HydrophobicContact CD1-CG2 4.06Å; L882-T904 VanDerWaalsContact CD1-O 3.29Å; L882-T904 WeakPolarHBondContact CD1-O 3.48Å; L882-W907 HydrophobicContact CD1-CE3 4.49Å; L882-L908 HydrophobicContact CD1-CB 4.26Å; L882-L908 HydrophobicContact CD2-CB 4.46Å; L882-L908 HydrophobicContact CD2-CD2 3.9Å
883A90.4Very high84.6Confident1 Ų143 Ų431%0.00822%0.217CC..  trans-151.6136.8178.300000110.8T850 F892 V903 L925T850-A883 HydrophobicContact CG2-CB 4.04Å; A883-F892 HydrophobicContact CB-CD2 4.28Å; A883-F892 HydrophobicContact CB-CE2 4.15Å; A883-V903 PolarHBondContact N-O 3.35Å; A883-L925 HydrophobicContact CB-CD2 4.28Å
884S86.6Confident85.2Confident65 Ų6538.8 Ų38.846%0.45520%0.198SC..SBendtrans-78.4-24.9175.649.70000113.8
885K83.1Confident85.8Confident122 Ų12237.7 Ų37.753%0.5319%0.191SC..SBendtrans-158.5163.7176.169.6178-172.6169.50111.5T887 D927K885-T887 HydrophobicContact CG-CG2 4.01Å; K885-T887 PolarHBondContact O-N 3.07Å; K885-D927 WeakPolarHBondContact CB-OD2 3.45Å
886V79.6Confident86.1Confident12 Ų1237.3 Ų37.37%0.07319%0.188CC..  trans-67.3119.9178.1175.10000108.8F892 L925 D927 A930 F936 L938 L1035V886-F892 HydrophobicContact CB-CZ 4.16Å; V886-F892 HydrophobicContact CG1-CE1 3.97Å; V886-F892 HydrophobicContact CG1-CZ 3.96Å; V886-F892 HydrophobicContact CG2-CZ 3.95Å; V886-L925 HydrophobicContact CG2-CD2 4.02Å; V886-D927 HydrophobicContact CB-CB 4.27Å; V886-D927 WeakPolarHBondContact CB-OD2 3.45Å; V886-D927 HydrophobicContact CG2-CB 3.65Å; V886-D927 PolarHBondContact N-OD2 3.47Å; V886-A930 HydrophobicContact CB-CB 3.57Å; V886-A930 HydrophobicContact CG1-CB 3.9Å; V886-A930 HydrophobicContact CG2-CB 4.12Å; V886-F936 HydrophobicContact CG1-CZ 4.36Å; V886-L938 HydrophobicContact CG2-CD2 4.07Å; V886-L1035 HydrophobicContact CG1-CD1 4.05Å
887T75.8Confident86.4Confident34 Ų3433.4 Ų33.421%0.20917%0.171CC..  trans-136.3134.4178.454.60000109.8K885 T889 F892K885-T887 HydrophobicContact CG-CG2 4.01Å; K885-T887 PolarHBondContact O-N 3.07Å; T887-T889 PolarHBondContact O-N 3.42Å; T887-F892 WeakPolarHBondContact O-CB 3.31Å; T887-F892 WeakPolarHBondContact O-CG 3.21Å
888R75Confident86.6Confident72 Ų7230.1 Ų30.127%0.27216%0.161SC..  trans-75.749.3178.7-66.9176.5170.2-141.1-7.9112.5L893 F934 E1028 T1032 L1035R888-L893 HydrophobicContact CB-CD1 4.36Å; R888-F934 HydrophobicContact CG-CZ 4.48Å; R888-F934 VanDerWaalsContact NE-CE1 3.26Å; R888-F934 VanDerWaalsContact NH2-CE1 3.3Å; R888-E1028 IonicContact CZ-OE2 3Å; R888-E1028 IonicContact NH1-OE1 3.81Å; R888-E1028 PolarHBondContact NH1-OE1 3.2Å; R888-E1028 VanDerWaalsContact NH1-OE1 3.09Å; R888-E1028 IonicContact NH1-OE2 2.97Å; R888-E1028 PolarHBondContact NH1-OE2 2.9Å; R888-E1028 IonicContact NH2-OE2 2.66Å; R888-T1032 PolarHBondContact NH1-OG1 3.42Å; R888-T1032 PolarHBondContact NH2-OG1 2.83Å; R888-L1035 HydrophobicContact CG-CD2 4.33Å
889T81.1Confident86.7Confident46 Ų4629.7 Ų29.728%0.28216%0.158SC..  trans-80.4150.8171.957.60000109.9T850 T887 K891 F892 L893T850-T889 PolarHBondContact OG1-OG1 3.28Å; T887-T889 PolarHBondContact O-N 3.42Å; T889-K891 PolarHBondContact O-N 3.11Å; T889-F892 PolarHBondContact O-N 2.76Å; T889-F892 VanDerWaalsContact OG1-CB 3.29Å; T889-F892 WeakPolarHBondContact OG1-CB 3.43Å; T889-F892 PolarHBondContact OG1-N 2.98Å; T889-L893 PolarHBondContact O-N 3.28Å
890V83.4Confident86.6Confident53 Ų5334.6 Ų34.632%0.32118%0.176SC..Hα-helixtrans-51.9-44.4176.3-167.40000110.9F892 L893 S894 T968 I972V890-F892 PolarHBondContact O-N 2.84Å; V890-L893 PolarHBondContact O-N 3.34Å; V890-S894 VanDerWaalsContact O-CB 3.25Å; V890-S894 WeakPolarHBondContact O-CB 3.04Å; V890-S894 PolarHBondContact O-N 3.08Å; V890-S894 PolarHBondContact O-OG 3.35Å; V890-T968 HydrophobicContact CB-CG2 4.34Å; V890-T968 HydrophobicContact CG1-CG2 3.98Å; V890-T968 HydrophobicContact CG2-CG2 3.44Å; V890-T968 VanDerWaalsContact CG2-CG2 3.44Å; V890-I972 HydrophobicContact CG1-CD1 4.47Å; V890-I972 HydrophobicContact CG1-CG1 4.26Å
891K84.9Confident86.5Confident94 Ų9436.9 Ų36.941%0.40919%0.187SC..Hα-helixtrans-57.1-45.6175.1-72.4-176.2174.71760113.1M848 L849 T889 A895M848-K891 HydrophobicContact CG-CB 4.39Å; M848-K891 HydrophobicContact CG-CD 4.12Å; M848-K891 HydrophobicContact CG-CG 4.38Å; M848-K891 HydrophobicContact SD-CB 3.66Å; M848-K891 HydrophobicContact SD-CD 4.13Å; M848-K891 HydrophobicContact SD-CG 3.74Å; L849-K891 WeakPolarHBondContact O-CD 3.38Å; L849-K891 PolarHBondContact O-NZ 3.07Å; T889-K891 PolarHBondContact O-N 3.11Å; K891-A895 WeakPolarHBondContact O-CB 3.49Å; K891-A895 PolarHBondContact O-N 3.06Å; K891-A895 VanDerWaalsContact O-N 3.1Å
892F88.5Confident86.6Confident0 Ų037 Ų370%019%0.187CC..Hα-helixtrans-68.8-47.3-178.8-165.6-79.5000111.3T850 L881 A883 V886 T887 T889 V890 A895 M896 I902 L925 L938 L1035T850-F892 HydrophobicContact CG2-CB 4.27Å; T850-F892 HydrophobicContact CG2-CD2 4.13Å; L881-F892 HydrophobicContact CD2-CB 4.2Å; L881-F892 HydrophobicContact CD2-CD2 3.44Å; L881-F892 VanDerWaalsContact CD2-CD2 3.44Å; L881-F892 HydrophobicContact CD2-CE2 3.9Å; L881-F892 HydrophobicContact CD2-CG 3.87Å; A883-F892 HydrophobicContact CB-CD2 4.28Å; A883-F892 HydrophobicContact CB-CE2 4.15Å; V886-F892 HydrophobicContact CB-CZ 4.16Å; V886-F892 HydrophobicContact CG1-CE1 3.97Å; V886-F892 HydrophobicContact CG1-CZ 3.96Å; V886-F892 HydrophobicContact CG2-CZ 3.95Å; T887-F892 WeakPolarHBondContact O-CB 3.31Å; T887-F892 WeakPolarHBondContact O-CG 3.21Å; T889-F892 PolarHBondContact O-N 2.76Å; T889-F892 VanDerWaalsContact OG1-CB 3.29Å; T889-F892 WeakPolarHBondContact OG1-CB 3.43Å; T889-F892 PolarHBondContact OG1-N 2.98Å; V890-F892 PolarHBondContact O-N 2.84Å; F892-A895 PolarHBondContact O-N 3.42Å; F892-M896 HydrophobicContact CD1-CE 4.24Å; F892-M896 HydrophobicContact CE1-CE 3.46Å; F892-M896 VanDerWaalsContact CE1-CE 3.46Å; F892-M896 HydrophobicContact CZ-CE 4.14Å; F892-M896 PolarHBondContact O-N 2.97Å; F892-I902 HydrophobicContact CE2-CG2 4.26Å; F892-I902 HydrophobicContact CZ-CD1 4.13Å; F892-L925 HydrophobicContact CE2-CD2 4.17Å; F892-L925 HydrophobicContact CZ-CD2 4.47Å; F892-L938 HydrophobicContact CZ-CD1 4.38Å; F892-L1035 HydrophobicContact CD1-CD1 4.35Å; F892-L1035 HydrophobicContact CE1-CD1 3.85Å
893L88.3Confident86.7Confident3 Ų337 Ų372%0.01619%0.187CC..Hα-helixtrans-66.4-46.2-179.7-64.7174.8000112R888 T889 V890 A895 M896 I972 L1031 V1034 L1035R888-L893 HydrophobicContact CB-CD1 4.36Å; T889-L893 PolarHBondContact O-N 3.28Å; V890-L893 PolarHBondContact O-N 3.34Å; L893-A895 PolarHBondContact O-N 3.1Å; L893-M896 PolarHBondContact O-N 2.66Å; L893-I972 HydrophobicContact CB-CD1 4.2Å; L893-I972 HydrophobicContact CB-CG1 4.22Å; L893-I972 HydrophobicContact CB-CG2 4.38Å; L893-I972 HydrophobicContact CD1-CD1 4Å; L893-L1031 HydrophobicContact CD1-CD2 3.69Å; L893-V1034 HydrophobicContact CB-CG1 4.22Å; L893-V1034 HydrophobicContact CD2-CG1 4.47Å; L893-V1034 WeakPolarHBondContact O-CG1 3.49Å; L893-L1035 HydrophobicContact CD2-CB 4.04Å; L893-L1035 HydrophobicContact CD2-CD1 4.47Å
894S87.9Confident86.8Confident7 Ų738.1 Ų38.15%0.04919%0.194CC..Hα-helixtrans-70.1-16.7177-69.90000114S875 V890 A971 I972 S975S875-S894 WeakPolarHBondContact CB-O 3.44Å; S875-S894 PolarHBondContact OG-O 2.89Å; V890-S894 VanDerWaalsContact O-CB 3.25Å; V890-S894 WeakPolarHBondContact O-CB 3.04Å; V890-S894 PolarHBondContact O-N 3.08Å; V890-S894 PolarHBondContact O-OG 3.35Å; S894-A971 PolarHBondContact OG-O 3.12Å; S894-A971 VanDerWaalsContact OG-O 3.13Å; S894-I972 WeakPolarHBondContact OG-CA 3.27Å; S894-I972 PolarHBondContact OG-N 3.42Å; S894-S975 VanDerWaalsContact CA-OG 3.28Å; S894-S975 WeakPolarHBondContact CA-OG 3.34Å; S894-S975 WeakPolarHBondContact O-CB 3.18Å; S894-S975 PolarHBondContact O-OG 3.48Å
895A88.8Confident87.1Confident0 Ų035.4 Ų35.40%018%0.175CC..Hα-helixtrans-91-36.817600000112.2L881 K891 F892 L893 S897 V898 I899L881-A895 HydrophobicContact CD1-CB 4.23Å; L881-A895 HydrophobicContact CD2-CB 4.25Å; K891-A895 WeakPolarHBondContact O-CB 3.49Å; K891-A895 PolarHBondContact O-N 3.06Å; K891-A895 VanDerWaalsContact O-N 3.1Å; F892-A895 PolarHBondContact O-N 3.42Å; L893-A895 PolarHBondContact O-N 3.1Å; A895-S897 PolarHBondContact O-N 2.87Å; A895-V898 PolarHBondContact O-N 3.04Å; A895-I899 HydrophobicContact CB-CD1 3.91Å; A895-I899 HydrophobicContact CB-CG2 3.77Å; A895-I899 VanDerWaalsContact O-CG1 3.24Å; A895-I899 WeakPolarHBondContact O-CG1 3.48Å; A895-I899 PolarHBondContact O-N 3.11Å
896M89.7Confident87.5Confident0 Ų034.2 Ų34.20%017%0.171CC..Hα-helixtrans-45.8-39.1178.6-177.863.87700113.9F892 L893 V898 I902 L938 L942 A945 V1034 L1035 Q1037F892-M896 HydrophobicContact CD1-CE 4.24Å; F892-M896 HydrophobicContact CE1-CE 3.46Å; F892-M896 VanDerWaalsContact CE1-CE 3.46Å; F892-M896 HydrophobicContact CZ-CE 4.14Å; F892-M896 PolarHBondContact O-N 2.97Å; L893-M896 PolarHBondContact O-N 2.66Å; M896-V898 VanDerWaalsContact C-N 3.32Å; M896-V898 PolarHBondContact O-N 3.23Å; M896-I902 HydrophobicContact CE-CD1 3.88Å; M896-I902 HydrophobicContact SD-CD1 4.02Å; M896-L938 HydrophobicContact CE-CD1 3.29Å; M896-L938 HydrophobicContact SD-CD1 4.15Å; M896-L942 HydrophobicContact SD-CD2 3.83Å; M896-L942 HydrophobicContact SD-CG 4.18Å; M896-A945 WeakPolarHBondContact O-CB 3.48Å; M896-V1034 WeakPolarHBondContact CG-O 3.44Å; M896-L1035 HydrophobicContact CE-CD1 3.92Å; M896-Q1037 HydrophobicContact CG-CG 4.27Å
897S88.1Confident88.3Confident13 Ų1333.6 Ų33.69%0.09117%0.168CC..THydrogen-bonded Turntrans-81.7-3.1-176-50.30000114.8A895 S975 A976 Q1037A895-S897 PolarHBondContact O-N 2.87Å; S897-S975 WeakPolarHBondContact CB-O 3.29Å; S897-A976 WeakPolarHBondContact OG-CB 3.4Å; S897-Q1037 PolarHBondContact OG-NE2 3.3Å
898V88.8Confident89.1Confident55 Ų5532 Ų3233%0.33316%0.158SC..THydrogen-bonded Turntrans-140.1-36.4-167.1-164.40000114.6A895 M896 S975A895-V898 PolarHBondContact O-N 3.04Å; M896-V898 VanDerWaalsContact C-N 3.32Å; M896-V898 PolarHBondContact O-N 3.23Å; V898-S975 VanDerWaalsContact CG2-O 3.26Å; V898-S975 WeakPolarHBondContact CG2-O 3.32Å
899I90.3Very high89.8Confident0 Ų032.5 Ų32.50%016%0.163CC..  trans-69.6156.9-176.564.9-165.7000112.5A878 L881 A895 I902 L942 H946A878-I899 HydrophobicContact CB-CG2 3.93Å; L881-I899 HydrophobicContact CB-CD1 3.51Å; L881-I899 HydrophobicContact CD2-CD1 4.19Å; L881-I899 HydrophobicContact CG-CD1 4.49Å; A895-I899 HydrophobicContact CB-CD1 3.91Å; A895-I899 HydrophobicContact CB-CG2 3.77Å; A895-I899 VanDerWaalsContact O-CG1 3.24Å; A895-I899 WeakPolarHBondContact O-CG1 3.48Å; A895-I899 PolarHBondContact O-N 3.11Å; I899-I902 HydrophobicContact CD1-CD1 4.03Å; I899-I902 HydrophobicContact CD1-CG1 3.35Å; I899-I902 HydrophobicContact CG1-CG1 4.29Å; I899-L942 HydrophobicContact CG1-CD2 4.42Å; I899-H946 PolarHBondContact O-NE2 3.48Å
900K88.9Confident90.2Very high139 Ų13932.7 Ų32.760%0.60416%0.161SC*.SBendtrans-84-39.1173.5-63.3-176.2179.4-178.10112.3T879T879-K900 PolarHBondContact O-N 3.36Å; T879-K900 VanDerWaalsContact O-N 3.1Å
901H92Very high90.6Very high59 Ų5930.1 Ų30.127%0.27315%0.146SC..EExtended strand (participates in β ladder)trans-134.5136.4-171.5-49-75.7000112.3T879 H880 L881 V903 E920T879-H901 PolarHBondContact O-N 2.82Å; H880-H901 WeakPolarHBondContact CA-O 3.16Å; H880-H901 AromaticContact NE2-CD2 3.62Å; L881-H901 PolarHBondContact N-O 2.67Å; H901-V903 HydrophobicContact CB-CG1 4.19Å; H901-E920 HydrophobicContact CB-CB 4.27Å; H901-E920 HydrophobicContact CB-CG 4.29Å
902I93.8Very high90.7Very high1 Ų128.6 Ų28.61%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-109.3116.1164.1-58.7172.5000106.5L881 F892 M896 I899 T924 L925 L938 L942L881-I902 HydrophobicContact CB-CG1 4.35Å; L881-I902 HydrophobicContact CD2-CG1 4.37Å; L881-I902 HydrophobicContact CD2-CG2 4.39Å; L881-I902 WeakPolarHBondContact O-CA 3.41Å; F892-I902 HydrophobicContact CE2-CG2 4.26Å; F892-I902 HydrophobicContact CZ-CD1 4.13Å; M896-I902 HydrophobicContact CE-CD1 3.88Å; M896-I902 HydrophobicContact SD-CD1 4.02Å; I899-I902 HydrophobicContact CD1-CD1 4.03Å; I899-I902 HydrophobicContact CD1-CG1 3.35Å; I899-I902 HydrophobicContact CG1-CG1 4.29Å; I902-T924 WeakPolarHBondContact O-CA 3.42Å; I902-L925 HydrophobicContact CB-CB 4.5Å; I902-L925 HydrophobicContact CG2-CB 3.76Å; I902-L925 HydrophobicContact CG2-CD2 3.72Å; I902-L925 HydrophobicContact CG2-CG 4.39Å; I902-L925 PolarHBondContact O-N 2.88Å; I902-L938 HydrophobicContact CD1-CD1 3.85Å; I902-L938 HydrophobicContact CD1-CG 4.46Å; I902-L942 HydrophobicContact CD1-CD1 4.12Å; I902-L942 HydrophobicContact CD1-CD2 3.99Å; I902-L942 HydrophobicContact CD1-CG 4.33Å; I902-L942 HydrophobicContact CG1-CD1 4.25Å; I902-L942 HydrophobicContact CG1-CD2 4.31Å
903V94.9Very high90.7Very high0 Ų037.9 Ų37.90%017%0.172CC..EExtended strand (participates in β ladder)trans-125.9151-171.7-69.90000111.9L881 L882 A883 H901 W907 E920 Y923L881-V903 PolarHBondContact O-N 2.93Å; L882-V903 WeakPolarHBondContact CA-O 3.39Å; L882-V903 HydrophobicContact CD1-CG2 4.06Å; A883-V903 PolarHBondContact N-O 3.35Å; H901-V903 HydrophobicContact CB-CG1 4.19Å; V903-W907 HydrophobicContact CB-CB 4.03Å; V903-W907 HydrophobicContact CB-CG 4.2Å; V903-W907 HydrophobicContact CG1-CG 4.39Å; V903-W907 HydrophobicContact CG2-CB 4.28Å; V903-W907 HydrophobicContact CG2-CD2 4.07Å; V903-W907 HydrophobicContact CG2-CE3 3.96Å; V903-W907 HydrophobicContact CG2-CG 4.22Å; V903-E920 HydrophobicContact CG1-CB 4.1Å; V903-Y923 VanDerWaalsContact CA-O 3.28Å; V903-Y923 WeakPolarHBondContact CA-O 3.49Å
904T94.4Very high90.6Very high26 Ų2640.9 Ų40.916%0.1619%0.193CC..  trans-80162.2178.673.20000111.4L882 E906 W907 Y923 L925L882-T904 VanDerWaalsContact CD1-O 3.29Å; L882-T904 WeakPolarHBondContact CD1-O 3.48Å; T904-E906 WeakPolarHBondContact CB-OE2 3.41Å; T904-E906 PolarHBondContact O-N 3.45Å; T904-E906 VanDerWaalsContact O-N 3.11Å; T904-E906 PolarHBondContact OG1-OE2 2.89Å; T904-W907 WeakPolarHBondContact O-CB 3.21Å; T904-W907 PolarHBondContact O-N 3.03Å; T904-W907 VanDerWaalsContact O-N 3.16Å; T904-Y923 PolarHBondContact N-O 3.17Å; T904-L925 HydrophobicContact CG2-CB 4.17Å; T904-L925 HydrophobicContact CG2-CD1 3.86Å
905P91.9Very high90.5Very high8 Ų845.3 Ų45.35%0.05221%0.214CC..Hα-helixtrans-50-36178.8-29.336.7000114.4F852 W907 L908 E909F852-P905 HydrophobicContact CE1-CG 3.69Å; F852-P905 HydrophobicContact CZ-CG 3.77Å; P905-W907 PolarHBondContact O-N 2.98Å; P905-L908 PolarHBondContact O-N 3.15Å; P905-E909 WeakPolarHBondContact O-CG 3.24Å; P905-E909 PolarHBondContact O-N 3.44Å; P905-E909 VanDerWaalsContact O-N 3.08Å
906E92.3Very high90.5Very high96 Ų9652.7 Ų52.745%0.44925%0.246SC..Hα-helixtrans-60.4-29.3-175.8-62.270.2-151.200112.2T904 L908 E909 E910 Y923T904-E906 WeakPolarHBondContact CB-OE2 3.41Å; T904-E906 PolarHBondContact O-N 3.45Å; T904-E906 VanDerWaalsContact O-N 3.11Å; T904-E906 PolarHBondContact OG1-OE2 2.89Å; E906-L908 VanDerWaalsContact C-N 3.31Å; E906-L908 PolarHBondContact O-N 2.95Å; E906-E909 PolarHBondContact O-N 3.35Å; E906-E910 WeakPolarHBondContact O-CB 3.5Å; E906-E910 PolarHBondContact O-N 2.94Å; E906-Y923 HydrophobicContact CB-CD1 3.95Å; E906-Y923 HydrophobicContact CB-CE1 4.19Å
907W95Very high90.4Very high0 Ų054.2 Ų54.20%025%0.252CS..Hα-helixtrans-57.2-45.2171.5177.876.3000111.8P845 V847 H880 L882 V903 T904 P905 S911 F917 V918 E920 Y923P845-W907 HydrophobicContact CB-CH2 3.99Å; P845-W907 HydrophobicContact CG-CH2 4.33Å; V847-W907 HydrophobicContact CG2-CH2 4.46Å; V847-W907 HydrophobicContact CG2-CZ3 4.14Å; H880-W907 AromaticContact NE2-CZ2 3.84Å; L882-W907 HydrophobicContact CD1-CE3 4.49Å; V903-W907 HydrophobicContact CB-CB 4.03Å; V903-W907 HydrophobicContact CB-CG 4.2Å; V903-W907 HydrophobicContact CG1-CG 4.39Å; V903-W907 HydrophobicContact CG2-CB 4.28Å; V903-W907 HydrophobicContact CG2-CD2 4.07Å; V903-W907 HydrophobicContact CG2-CE3 3.96Å; V903-W907 HydrophobicContact CG2-CG 4.22Å; T904-W907 WeakPolarHBondContact O-CB 3.21Å; T904-W907 PolarHBondContact O-N 3.03Å; T904-W907 VanDerWaalsContact O-N 3.16Å; P905-W907 PolarHBondContact O-N 2.98Å; W907-S911 WeakPolarHBondContact O-CB 3.43Å; W907-S911 PolarHBondContact O-N 3.3Å; W907-S911 PolarHBondContact O-OG 3.26Å; W907-F917 AromaticContact CH2-CD1 3.51Å; W907-F917 HydrophobicContact CH2-CD1 3.51Å; W907-F917 AromaticContact CH2-CE1 3.88Å; W907-F917 HydrophobicContact CH2-CE1 3.88Å; W907-F917 HydrophobicContact CH2-CG 4.48Å; W907-F917 HydrophobicContact CZ2-CB 4.37Å; W907-F917 AromaticContact CZ2-CD1 3.75Å; W907-F917 HydrophobicContact CZ2-CD1 3.75Å; W907-F917 HydrophobicContact CZ2-CG 4.43Å; W907-F917 HydrophobicContact CZ3-CD1 4.24Å; W907-F917 HydrophobicContact CZ3-CE1 4.34Å; W907-V918 PolarHBondContact NE1-O 3.15Å; W907-E920 HydrophobicContact CZ2-CG 4.39Å; W907-Y923 HydrophobicContact CB-CD1 4.39Å; W907-Y923 HydrophobicContact CB-CD2 4.34Å; W907-Y923 HydrophobicContact CB-CG 3.89Å; W907-Y923 AromaticContact CD1-CD2 3.9Å
908L92.6Very high90.5Very high1 Ų155.1 Ų55.11%0.00526%0.257CS..Hα-helixtrans-77.6-30.7179.7-177.660.5000111.6Y860 L864 L867 L882 P905 E906 W912Y860-L908 HydrophobicContact CD1-CD2 4.05Å; Y860-L908 HydrophobicContact CG-CD2 4.2Å; L864-L908 HydrophobicContact CB-CD1 4.27Å; L864-L908 HydrophobicContact CD1-CD1 4.1Å; L867-L908 HydrophobicContact CD1-CD1 3.96Å; L882-L908 HydrophobicContact CD1-CB 4.26Å; L882-L908 HydrophobicContact CD2-CB 4.46Å; L882-L908 HydrophobicContact CD2-CD2 3.9Å; P905-L908 PolarHBondContact O-N 3.15Å; E906-L908 VanDerWaalsContact C-N 3.31Å; E906-L908 PolarHBondContact O-N 2.95Å; L908-W912 VanDerWaalsContact O-CB 3.22Å; L908-W912 WeakPolarHBondContact O-CB 3.08Å; L908-W912 PolarHBondContact O-N 3.38Å
909E91.3Very high90.6Very high81 Ų8156.3 Ų56.338%0.37926%0.262SS..Hα-helixtrans-71-41.9176-55.2-141.2135.300112.3Y860 R863 P905 E906 W912 R913Y860-E909 HydrophobicContact CE1-CG 4.48Å; R863-E909 IonicContact CZ-OE1 3.33Å; R863-E909 IonicContact NH1-OE1 3.46Å; R863-E909 PolarHBondContact NH1-OE1 3.01Å; R863-E909 IonicContact NH2-OE1 3.87Å; R863-E909 PolarHBondContact NH2-OE1 3.39Å; P905-E909 WeakPolarHBondContact O-CG 3.24Å; P905-E909 PolarHBondContact O-N 3.44Å; P905-E909 VanDerWaalsContact O-N 3.08Å; E906-E909 PolarHBondContact O-N 3.35Å; E909-W912 WeakPolarHBondContact O-CB 3.38Å; E909-W912 PolarHBondContact O-N 2.8Å; E909-R913 PolarHBondContact O-N 2.85Å
910E89.4Confident90.7Very high50 Ų5058.5 Ų58.523%0.23427%0.272CS..Hα-helixtrans-78.5-32176.3-166.750.1-120.600111.7E906 W912 R913 S914E906-E910 WeakPolarHBondContact O-CB 3.5Å; E906-E910 PolarHBondContact O-N 2.94Å; E910-W912 PolarHBondContact O-N 2.93Å; E910-R913 PolarHBondContact O-N 2.91Å; E910-R913 WeakPolarHBondContact OE1-CB 3.48Å; E910-R913 WeakPolarHBondContact OE1-CD 3.22Å; E910-R913 WeakPolarHBondContact OE2-CD 3.26Å; E910-R913 IonicContact OE2-NH1 3.96Å; E910-R913 PolarHBondContact OE2-NH1 3.12Å; E910-S914 VanDerWaalsContact O-CB 3.27Å; E910-S914 WeakPolarHBondContact O-CB 3.33Å; E910-S914 PolarHBondContact O-N 3.32Å; E910-S914 PolarHBondContact O-OG 2.98Å; E910-S914 PolarHBondContact OE1-OG 3.03Å
911S91.1Very high90.6Very high0 Ų059.6 Ų59.60%028%0.279CS..Hα-helixtrans-58.2-38.8165.5-65.20000112L867 W907 Q915 K916 F917 V918L867-S911 WeakPolarHBondContact CD2-O 3.32Å; W907-S911 WeakPolarHBondContact O-CB 3.43Å; W907-S911 PolarHBondContact O-N 3.3Å; W907-S911 PolarHBondContact O-OG 3.26Å; S911-Q915 PolarHBondContact O-N 3.2Å; S911-K916 VanDerWaalsContact CA-O 3.29Å; S911-K916 WeakPolarHBondContact CA-O 3.17Å; S911-K916 PolarHBondContact O-N 3.25Å; S911-K916 VanDerWaalsContact O-N 3.15Å; S911-F917 WeakPolarHBondContact OG-CA 3.34Å; S911-V918 PolarHBondContact OG-N 3.29Å
912W87.5Confident90.4Very high61 Ų6161.2 Ų61.223%0.23130%0.297CS..Hα-helixtrans-66.8-46.1174.5178.8-108.5000111.7I832 R863 A866 L867 L908 E909 E910 Q915I832-W912 HydrophobicContact CD1-CZ2 4.15Å; R863-W912 HydrophobicContact CB-CD2 4.05Å; R863-W912 HydrophobicContact CB-CE3 3.96Å; R863-W912 HydrophobicContact CB-CG 4.3Å; R863-W912 HydrophobicContact CG-CD2 3.85Å; R863-W912 HydrophobicContact CG-CE3 4.22Å; R863-W912 HydrophobicContact CG-CG 4Å; A866-W912 HydrophobicContact CB-CH2 3.79Å; A866-W912 HydrophobicContact CB-CZ3 3.47Å; A866-W912 VanDerWaalsContact CB-CZ3 3.47Å; L867-W912 HydrophobicContact CD1-CB 4.4Å; L867-W912 HydrophobicContact CD1-CE3 4.28Å; L867-W912 HydrophobicContact CD2-CE3 4.18Å; L867-W912 HydrophobicContact CG-CE3 3.89Å; L867-W912 HydrophobicContact CG-CZ3 4.37Å; L908-W912 VanDerWaalsContact O-CB 3.22Å; L908-W912 WeakPolarHBondContact O-CB 3.08Å; L908-W912 PolarHBondContact O-N 3.38Å; E909-W912 WeakPolarHBondContact O-CB 3.38Å; E909-W912 PolarHBondContact O-N 2.8Å; E910-W912 PolarHBondContact O-N 2.93Å; W912-Q915 PolarHBondContact O-N 3.24Å; W912-Q915 PolarHBondContact O-NE2 2.7Å
913R87.8Confident90.3Very high195 Ų19564.2 Ų64.274%0.73631%0.309SS*.Hα-helixtrans-63.5-42178.7-168.7-171.4-157.3161.12.9112.8E909 E910 Q915E909-R913 PolarHBondContact O-N 2.85Å; E910-R913 PolarHBondContact O-N 2.91Å; E910-R913 WeakPolarHBondContact OE1-CB 3.48Å; E910-R913 WeakPolarHBondContact OE1-CD 3.22Å; E910-R913 WeakPolarHBondContact OE2-CD 3.26Å; E910-R913 IonicContact OE2-NH1 3.96Å; E910-R913 PolarHBondContact OE2-NH1 3.12Å; R913-Q915 VanDerWaalsContact C-N 3.29Å; R913-Q915 PolarHBondContact O-N 2.95Å
914S85.9Confident90.2Very high66 Ų6666.2 Ų66.246%0.46232%0.321SS..THydrogen-bonded Turntrans-81.6-1.9177.7-70.60000113.8E910 K916E910-S914 VanDerWaalsContact O-CB 3.27Å; E910-S914 WeakPolarHBondContact O-CB 3.33Å; E910-S914 PolarHBondContact O-N 3.32Å; E910-S914 PolarHBondContact O-OG 2.98Å; E910-S914 PolarHBondContact OE1-OG 3.03Å; S914-K916 PolarHBondContact O-N 3.09Å
915Q86.7Confident90Very high101 Ų10165.3 Ų65.347%0.47232%0.316SS..THydrogen-bonded Turntrans51.828.5-179.9-68-73.1-69.100114.3S911 W912 R913S911-Q915 PolarHBondContact O-N 3.2Å; W912-Q915 PolarHBondContact O-N 3.24Å; W912-Q915 PolarHBondContact O-NE2 2.7Å; R913-Q915 VanDerWaalsContact C-N 3.29Å; R913-Q915 PolarHBondContact O-N 2.95Å
916K87.5Confident89.9Confident155 Ų15574.3 Ų74.367%0.67435%0.349SS*.SBendtrans-161.5141.4-178.9-175-158.9168.1-167.40107.5S911 S914 V918S911-K916 VanDerWaalsContact CA-O 3.29Å; S911-K916 WeakPolarHBondContact CA-O 3.17Å; S911-K916 PolarHBondContact O-N 3.25Å; S911-K916 VanDerWaalsContact O-N 3.15Å; S914-K916 PolarHBondContact O-N 3.09Å; K916-V918 PolarHBondContact O-N 3.37Å
917F89.4Confident89.6Confident31 Ų3170.7 Ų70.714%0.13633%0.332CS..PPolyproline II helixtrans-57129.5169.9-63.4-72.2000111.7L839 P845 L864 L867 W907 S911L839-F917 HydrophobicContact CD1-CD2 3.91Å; L839-F917 HydrophobicContact CD1-CE2 3.7Å; P845-F917 HydrophobicContact CB-CE1 4.3Å; P845-F917 HydrophobicContact CB-CZ 4.36Å; P845-F917 HydrophobicContact CG-CD1 3.88Å; P845-F917 HydrophobicContact CG-CD2 3.63Å; P845-F917 HydrophobicContact CG-CE1 3.93Å; P845-F917 HydrophobicContact CG-CE2 3.69Å; P845-F917 HydrophobicContact CG-CG 3.73Å; P845-F917 HydrophobicContact CG-CZ 3.84Å; L864-F917 HydrophobicContact CD1-CE1 3.91Å; L864-F917 HydrophobicContact CD1-CZ 3.93Å; L867-F917 HydrophobicContact CB-CE1 4.1Å; L867-F917 HydrophobicContact CB-CE2 3.84Å; L867-F917 HydrophobicContact CB-CZ 3.49Å; L867-F917 VanDerWaalsContact CB-CZ 3.49Å; L867-F917 HydrophobicContact CD1-CD1 4.49Å; L867-F917 HydrophobicContact CD1-CE1 3.92Å; L867-F917 HydrophobicContact CD1-CZ 4.19Å; L867-F917 HydrophobicContact CG-CZ 4.47Å; L867-F917 WeakPolarHBondContact O-CE2 3.37Å; W907-F917 AromaticContact CH2-CD1 3.51Å; W907-F917 HydrophobicContact CH2-CD1 3.51Å; W907-F917 AromaticContact CH2-CE1 3.88Å; W907-F917 HydrophobicContact CH2-CE1 3.88Å; W907-F917 HydrophobicContact CH2-CG 4.48Å; W907-F917 HydrophobicContact CZ2-CB 4.37Å; W907-F917 AromaticContact CZ2-CD1 3.75Å; W907-F917 HydrophobicContact CZ2-CD1 3.75Å; W907-F917 HydrophobicContact CZ2-CG 4.43Å; W907-F917 HydrophobicContact CZ3-CD1 4.24Å; W907-F917 HydrophobicContact CZ3-CE1 4.34Å; S911-F917 WeakPolarHBondContact OG-CA 3.34Å
918V90.4Very high88.8Confident33 Ų3374.1 Ų74.120%0.236%0.36CS..PPolyproline II helixtrans-94.9165.2176.9-58.80000110.9W907 S911 K916 E920 Y923W907-V918 PolarHBondContact NE1-O 3.15Å; S911-V918 PolarHBondContact OG-N 3.29Å; K916-V918 PolarHBondContact O-N 3.37Å; V918-E920 PolarHBondContact O-N 2.93Å; V918-Y923 HydrophobicContact CG2-CD2 4.12Å; V918-Y923 HydrophobicContact CG2-CE2 3.56Å
919D90.5Very high87.8Confident79 Ų7981.9 Ų81.942%0.42240%0.397SS..PPolyproline II helixtrans-51.3134.6175163.975000112.4Q921 S922 Y923D919-Q921 PolarHBondContact OD1-N 2.88Å; D919-Q921 WeakPolarHBondContact OD2-CB 3.19Å; D919-Q921 PolarHBondContact OD2-N 2.92Å; D919-Q921 VanDerWaalsContact OD2-N 3.12Å; D919-S922 WeakPolarHBondContact OD2-CB 3.47Å; D919-S922 PolarHBondContact OD2-N 3.07Å; D919-S922 PolarHBondContact OD2-OG 3.13Å; D919-Y923 VanDerWaalsContact O-CD2 3.27Å; D919-Y923 WeakPolarHBondContact O-CD2 3.16Å
920E91Very high86.7Confident47 Ų4778.3 Ų78.322%0.2238%0.381CS..SBendtrans-78.4-28.6-179.4-61.276-170.400113.1H880 H901 V903 W907 V918 S922 Y923 T924H880-E920 IonicContact CE1-OE1 2.66Å; H880-E920 WeakPolarHBondContact NE2-CG 3.23Å; H880-E920 IonicContact NE2-OE1 2.79Å; H880-E920 PolarHBondContact NE2-OE1 3.33Å; H901-E920 HydrophobicContact CB-CB 4.27Å; H901-E920 HydrophobicContact CB-CG 4.29Å; V903-E920 HydrophobicContact CG1-CB 4.1Å; W907-E920 HydrophobicContact CZ2-CG 4.39Å; V918-E920 PolarHBondContact O-N 2.93Å; E920-S922 VanDerWaalsContact C-N 3.28Å; E920-S922 PolarHBondContact O-N 3.23Å; E920-Y923 CarbonylContact O-C 3.55Å; E920-Y923 PolarHBondContact O-N 2.89Å; E920-Y923 VanDerWaalsContact O-N 3.11Å; E920-T924 PolarHBondContact O-N 2.64Å; E920-T924 VanDerWaalsContact O-N 3.13Å; E920-T924 PolarHBondContact O-OG1 3.47Å; E920-T924 VanDerWaalsContact O-OG1 3.1Å
921Q87.4Confident86.5Confident161 Ų16178.3 Ų78.375%0.75238%0.381SS*.G310 helixtrans-64.5-36.5-172.6-169.717050.500111.5D919 Y923 T924D919-Q921 PolarHBondContact OD1-N 2.88Å; D919-Q921 WeakPolarHBondContact OD2-CB 3.19Å; D919-Q921 PolarHBondContact OD2-N 2.92Å; D919-Q921 VanDerWaalsContact OD2-N 3.12Å; Q921-Y923 PolarHBondContact O-N 2.86Å; Q921-T924 PolarHBondContact O-OG1 3.09Å
922S88.4Confident85.7Confident94 Ų9483.7 Ų83.766%0.65741%0.414SS*.G310 helixtrans-67.1-17.4177.1-55.10000114.4D919 E920D919-S922 WeakPolarHBondContact OD2-CB 3.47Å; D919-S922 PolarHBondContact OD2-N 3.07Å; D919-S922 PolarHBondContact OD2-OG 3.13Å; E920-S922 VanDerWaalsContact C-N 3.28Å; E920-S922 PolarHBondContact O-N 3.23Å
923Y91.9Very high84.8Confident63 Ų6386.7 Ų86.725%0.24743%0.434CS..G310 helixtrans-12719.7-175.7-55.9-92.6000112.8V903 T904 E906 W907 V918 D919 E920 Q921 L925V903-Y923 VanDerWaalsContact CA-O 3.28Å; V903-Y923 WeakPolarHBondContact CA-O 3.49Å; T904-Y923 PolarHBondContact N-O 3.17Å; E906-Y923 HydrophobicContact CB-CD1 3.95Å; E906-Y923 HydrophobicContact CB-CE1 4.19Å; W907-Y923 HydrophobicContact CB-CD1 4.39Å; W907-Y923 HydrophobicContact CB-CD2 4.34Å; W907-Y923 HydrophobicContact CB-CG 3.89Å; W907-Y923 AromaticContact CD1-CD2 3.9Å; V918-Y923 HydrophobicContact CG2-CD2 4.12Å; V918-Y923 HydrophobicContact CG2-CE2 3.56Å; D919-Y923 VanDerWaalsContact O-CD2 3.27Å; D919-Y923 WeakPolarHBondContact O-CD2 3.16Å; E920-Y923 CarbonylContact O-C 3.55Å; E920-Y923 PolarHBondContact O-N 2.89Å; E920-Y923 VanDerWaalsContact O-N 3.11Å; Q921-Y923 PolarHBondContact O-N 2.86Å; Y923-L925 PolarHBondContact O-N 3.16Å
924T91.2Very high84.1Confident43 Ų4380 Ų8026%0.26441%0.41SS..BIsolated β-bridgetrans-63.7130.4176.2-65.50000109.8I902 E920 Q921 R926I902-T924 WeakPolarHBondContact O-CA 3.42Å; E920-T924 PolarHBondContact O-N 2.64Å; E920-T924 VanDerWaalsContact O-N 3.13Å; E920-T924 PolarHBondContact O-OG1 3.47Å; E920-T924 VanDerWaalsContact O-OG1 3.1Å; Q921-T924 PolarHBondContact O-OG1 3.09Å; T924-R926 PolarHBondContact O-N 3Å
925L91.6Very high83.8Confident7 Ų782.3 Ų82.34%0.03743%0.426CS..  trans-57.8134.5-178177.264.3000111.2A883 V886 F892 I902 T904 Y923 L938A883-L925 HydrophobicContact CB-CD2 4.28Å; V886-L925 HydrophobicContact CG2-CD2 4.02Å; F892-L925 HydrophobicContact CE2-CD2 4.17Å; F892-L925 HydrophobicContact CZ-CD2 4.47Å; I902-L925 HydrophobicContact CB-CB 4.5Å; I902-L925 HydrophobicContact CG2-CB 3.76Å; I902-L925 HydrophobicContact CG2-CD2 3.72Å; I902-L925 HydrophobicContact CG2-CG 4.39Å; I902-L925 PolarHBondContact O-N 2.88Å; T904-L925 HydrophobicContact CG2-CB 4.17Å; T904-L925 HydrophobicContact CG2-CD1 3.86Å; Y923-L925 PolarHBondContact O-N 3.16Å; L925-L938 HydrophobicContact CB-CD2 4.2Å; L925-L938 HydrophobicContact CD2-CD2 4.16Å; L925-L938 HydrophobicContact CG-CD2 4.13Å; L925-L938 WeakPolarHBondContact O-CD2 3.48Å
926R88.3Confident83.9Confident197 Ų19778.5 Ų78.574%0.74341%0.408SS*.  trans-132.8128.7171.3-65-177.6177.9-166.7-4.8108.6T924T924-R926 PolarHBondContact O-N 3Å
927D86.5Confident84.1Confident19 Ų1973.1 Ų73.110%0.10239%0.39CS..  trans-14283.9-172.5-173.6-20.5000109K885 V886 E929 A930 E931K885-D927 WeakPolarHBondContact CB-OD2 3.45Å; V886-D927 HydrophobicContact CB-CB 4.27Å; V886-D927 WeakPolarHBondContact CB-OD2 3.45Å; V886-D927 HydrophobicContact CG2-CB 3.65Å; V886-D927 PolarHBondContact N-OD2 3.47Å; D927-E929 PolarHBondContact O-N 2.75Å; D927-E929 PolarHBondContact OD1-N 3.45Å; D927-A930 HydrophobicContact CB-CB 4.15Å; D927-A930 VanDerWaalsContact CG-CB 3.45Å; D927-A930 PolarHBondContact O-N 2.86Å; D927-A930 WeakPolarHBondContact OD1-CB 3.46Å; D927-A930 PolarHBondContact OD1-N 2.86Å; D927-E931 WeakPolarHBondContact O-CB 3.41Å; D927-E931 WeakPolarHBondContact O-CG 3.42Å; D927-E931 PolarHBondContact O-N 2.79Å
928A78.5Confident84.1Confident72 Ų7271.8 Ų71.860%0.59538%0.384SS*.Hα-helixtrans-64.2-26.5-17600000112.8V932A928-V932 WeakPolarHBondContact O-CB 3.45Å; A928-V932 VanDerWaalsContact O-CG2 3.28Å; A928-V932 WeakPolarHBondContact O-CG2 3.37Å; A928-V932 PolarHBondContact O-N 2.96Å; A928-V932 VanDerWaalsContact O-N 3.16Å
929E72Confident84.1Confident164 Ų16474.7 Ų74.777%0.76640%0.396SS*.Hα-helixtrans-67.3-47.6174.9-64.8-175.5-179.900110.4D927 L933D927-E929 PolarHBondContact O-N 2.75Å; D927-E929 PolarHBondContact OD1-N 3.45Å; E929-L933 VanDerWaalsContact O-CB 3.23Å; E929-L933 WeakPolarHBondContact O-CB 3.26Å; E929-L933 PolarHBondContact O-N 3.04Å
930A68.1Low84.1Confident7 Ų775.7 Ų75.76%0.05840%0.398CS..Hα-helixtrans-72-37.7178.400000113.4V886 D927 V932 L933 F934 F936V886-A930 HydrophobicContact CB-CB 3.57Å; V886-A930 HydrophobicContact CG1-CB 3.9Å; V886-A930 HydrophobicContact CG2-CB 4.12Å; D927-A930 HydrophobicContact CB-CB 4.15Å; D927-A930 VanDerWaalsContact CG-CB 3.45Å; D927-A930 PolarHBondContact O-N 2.86Å; D927-A930 WeakPolarHBondContact OD1-CB 3.46Å; D927-A930 PolarHBondContact OD1-N 2.86Å; A930-V932 VanDerWaalsContact C-N 3.32Å; A930-V932 PolarHBondContact O-N 2.93Å; A930-L933 PolarHBondContact O-N 3.15Å; A930-F934 HydrophobicContact CB-CD2 4.41Å; A930-F934 HydrophobicContact CB-CE2 4.47Å; A930-F934 WeakPolarHBondContact O-CD2 3.12Å; A930-F934 PolarHBondContact O-N 3Å; A930-F936 WeakPolarHBondContact O-CE1 3.39Å
931E84.3Confident84.2Confident49 Ų4973.4 Ų73.423%0.22939%0.387CS..Hα-helixtrans-60.9-40.5175.9-77.4-172137.700111.4D927 S935 F936 S937 L938D927-E931 WeakPolarHBondContact O-CB 3.41Å; D927-E931 WeakPolarHBondContact O-CG 3.42Å; D927-E931 PolarHBondContact O-N 2.79Å; E931-S935 VanDerWaalsContact O-CA 3.28Å; E931-S935 WeakPolarHBondContact O-CA 3.26Å; E931-S935 PolarHBondContact O-N 2.88Å; E931-F936 WeakPolarHBondContact CA-O 2.89Å; E931-F936 WeakPolarHBondContact CB-O 3.37Å; E931-F936 HydrophobicContact CG-CE1 4.22Å; E931-F936 WeakPolarHBondContact CG-O 3.39Å; E931-F936 PolarHBondContact O-N 3.27Å; E931-S937 WeakPolarHBondContact OE1-CA 3.37Å; E931-S937 PolarHBondContact OE1-OG 2.94Å; E931-S937 VanDerWaalsContact OE1-OG 3.13Å; E931-L938 PolarHBondContact OE1-N 3.06Å
932V74.9Confident84.5Confident113 Ų11366.5 Ų66.569%0.68536%0.355SS*.Hα-helixtrans-68.3-50.6171.1170.70000111.4A928 A930 F934 S935A928-V932 WeakPolarHBondContact O-CB 3.45Å; A928-V932 VanDerWaalsContact O-CG2 3.28Å; A928-V932 WeakPolarHBondContact O-CG2 3.37Å; A928-V932 PolarHBondContact O-N 2.96Å; A928-V932 VanDerWaalsContact O-N 3.16Å; A930-V932 VanDerWaalsContact C-N 3.32Å; A930-V932 PolarHBondContact O-N 2.93Å; V932-F934 VanDerWaalsContact C-N 3.26Å; V932-F934 PolarHBondContact O-N 3.44Å; V932-S935 PolarHBondContact O-N 2.97Å; V932-S935 VanDerWaalsContact O-N 3.09Å; V932-S935 PolarHBondContact O-OG 3.06Å
933L68.9Low84.6Confident125 Ų12567.8 Ų67.865%0.65435%0.349SS*.Hα-helixtrans-57.4-36.4-175.8178.962.6000113.3E929 A930E929-L933 VanDerWaalsContact O-CB 3.23Å; E929-L933 WeakPolarHBondContact O-CB 3.26Å; E929-L933 PolarHBondContact O-N 3.04Å; A930-L933 PolarHBondContact O-N 3.15Å
934F72.3Confident84.7Confident55 Ų5568.2 Ų68.224%0.24135%0.35CS..THydrogen-bonded Turntrans-107.28.5178.8-53.4-55.7000113.6R888 A930 V932 F936 L1035R888-F934 HydrophobicContact CG-CZ 4.48Å; R888-F934 VanDerWaalsContact NE-CE1 3.26Å; R888-F934 VanDerWaalsContact NH2-CE1 3.3Å; A930-F934 HydrophobicContact CB-CD2 4.41Å; A930-F934 HydrophobicContact CB-CE2 4.47Å; A930-F934 WeakPolarHBondContact O-CD2 3.12Å; A930-F934 PolarHBondContact O-N 3Å; V932-F934 VanDerWaalsContact C-N 3.26Å; V932-F934 PolarHBondContact O-N 3.44Å; F934-F936 HydrophobicContact CB-CD1 3.69Å; F934-F936 HydrophobicContact CB-CE1 3.98Å; F934-F936 HydrophobicContact CD2-CE1 4.21Å; F934-F936 PolarHBondContact O-N 2.83Å; F934-L1035 HydrophobicContact CB-CD2 4.16Å; F934-L1035 HydrophobicContact CD2-CD2 3.5Å; F934-L1035 HydrophobicContact CE2-CD2 4.01Å; F934-L1035 HydrophobicContact CG-CD2 3.84Å
935S80Confident84.7Confident113 Ų11366.6 Ų66.679%0.7934%0.341SS*.THydrogen-bonded Turntrans49.151175.7-64.70000113.8E931 V932E931-S935 VanDerWaalsContact O-CA 3.28Å; E931-S935 WeakPolarHBondContact O-CA 3.26Å; E931-S935 PolarHBondContact O-N 2.88Å; V932-S935 PolarHBondContact O-N 2.97Å; V932-S935 VanDerWaalsContact O-N 3.09Å; V932-S935 PolarHBondContact O-OG 3.06Å
936F88.9Confident84.6Confident21 Ų2171.2 Ų71.29%0.09236%0.362CS..  trans-145166.5-174.885.6-58.5000111.8V886 A930 E931 F934 L938 S941 L1035 T1036V886-F936 HydrophobicContact CG1-CZ 4.36Å; A930-F936 WeakPolarHBondContact O-CE1 3.39Å; E931-F936 WeakPolarHBondContact CA-O 2.89Å; E931-F936 WeakPolarHBondContact CB-O 3.37Å; E931-F936 HydrophobicContact CG-CE1 4.22Å; E931-F936 WeakPolarHBondContact CG-O 3.39Å; E931-F936 PolarHBondContact O-N 3.27Å; F934-F936 HydrophobicContact CB-CD1 3.69Å; F934-F936 HydrophobicContact CB-CE1 3.98Å; F934-F936 HydrophobicContact CD2-CE1 4.21Å; F934-F936 PolarHBondContact O-N 2.83Å; F936-L938 HydrophobicContact CE2-CB 4.37Å; F936-L938 HydrophobicContact CE2-CD1 4.23Å; F936-S941 WeakPolarHBondContact CD2-OG 3.47Å; F936-L1035 HydrophobicContact CD2-CG 4.49Å; F936-L1035 HydrophobicContact CE1-CD2 4.41Å; F936-L1035 HydrophobicContact CE1-CG 4.45Å; F936-L1035 HydrophobicContact CE2-CD1 4Å; F936-L1035 HydrophobicContact CE2-CG 3.9Å; F936-L1035 WeakPolarHBondContact CE2-O 3.38Å; F936-L1035 HydrophobicContact CZ-CD1 3.89Å; F936-L1035 HydrophobicContact CZ-CD2 4.26Å; F936-L1035 HydrophobicContact CZ-CG 3.89Å; F936-T1036 HydrophobicContact CB-CG2 3.62Å; F936-T1036 HydrophobicContact CD2-CG2 4.17Å; F936-T1036 HydrophobicContact CG-CG2 3.97Å
937S91.4Very high84.8Confident43 Ų4366 Ų6630%0.30136%0.361SS..  trans-111.6135.6162.5179.40000111.2E931 E939 S941E931-S937 WeakPolarHBondContact OE1-CA 3.37Å; E931-S937 PolarHBondContact OE1-OG 2.94Å; E931-S937 VanDerWaalsContact OE1-OG 3.13Å; S937-E939 PolarHBondContact OG-N 2.99Å; S937-S941 WeakPolarHBondContact O-CB 3.48Å; S937-S941 PolarHBondContact O-N 3.09Å; S937-S941 PolarHBondContact O-OG 2.98Å
938L90.1Very high85Confident3 Ų367.6 Ų67.62%0.01638%0.377CS..Hα-helixtrans-66.6-42.6177.7-174.460.1000111.4V886 F892 M896 I902 L925 E931 F936 S941 L942V886-L938 HydrophobicContact CG2-CD2 4.07Å; F892-L938 HydrophobicContact CZ-CD1 4.38Å; M896-L938 HydrophobicContact CE-CD1 3.29Å; M896-L938 HydrophobicContact SD-CD1 4.15Å; I902-L938 HydrophobicContact CD1-CD1 3.85Å; I902-L938 HydrophobicContact CD1-CG 4.46Å; L925-L938 HydrophobicContact CB-CD2 4.2Å; L925-L938 HydrophobicContact CD2-CD2 4.16Å; L925-L938 HydrophobicContact CG-CD2 4.13Å; L925-L938 WeakPolarHBondContact O-CD2 3.48Å; E931-L938 PolarHBondContact OE1-N 3.06Å; F936-L938 HydrophobicContact CE2-CB 4.37Å; F936-L938 HydrophobicContact CE2-CD1 4.23Å; L938-S941 PolarHBondContact O-N 2.78Å; L938-L942 PolarHBondContact O-N 3.12Å
939E90.1Very high85.7Confident94 Ų9467.1 Ų67.144%0.43937%0.368SS..Hα-helixtrans-64.8-42.4178.9-167.8-170.3132.500111.5S937 K943S937-E939 PolarHBondContact OG-N 2.99Å; E939-K943 WeakPolarHBondContact O-CG 3.46Å; E939-K943 PolarHBondContact O-N 2.76Å; E939-K943 WeakPolarHBondContact OE1-CE 3.4Å; E939-K943 IonicContact OE1-NZ 3.55Å; E939-K943 PolarHBondContact OE1-NZ 2.89Å
940E91.1Very high86.7Confident99 Ų9960.4 Ų60.446%0.46334%0.337SS..Hα-helixtrans-68.8-35.2177.3-157.7-152.6-178.400112K943 R944E940-K943 PolarHBondContact O-N 2.92Å; E940-R944 PolarHBondContact O-N 2.91Å; E940-R944 IonicContact OE1-CZ 3.49Å; E940-R944 IonicContact OE1-NH1 2.65Å; E940-R944 PolarHBondContact OE1-NH1 2.99Å; E940-R944 IonicContact OE2-CZ 2.66Å; E940-R944 VanDerWaalsContact OE2-CZ 3.27Å; E940-R944 IonicContact OE2-NH1 3.68Å; E940-R944 PolarHBondContact OE2-NH1 3.3Å; E940-R944 IonicContact OE2-NH2 3.88Å; E940-R944 PolarHBondContact OE2-NH2 3.12Å
941S93.3Very high88Confident0 Ų060 Ų600%033%0.334CS..Hα-helixtrans-70.4-40179.3-56.50000111.8F936 S937 L938 K943 R944 A945 T1036 Q1037F936-S941 WeakPolarHBondContact CD2-OG 3.47Å; S937-S941 WeakPolarHBondContact O-CB 3.48Å; S937-S941 PolarHBondContact O-N 3.09Å; S937-S941 PolarHBondContact O-OG 2.98Å; L938-S941 PolarHBondContact O-N 2.78Å; S941-K943 PolarHBondContact O-N 3.03Å; S941-R944 WeakPolarHBondContact O-CB 3.35Å; S941-R944 PolarHBondContact O-N 3.1Å; S941-R944 PolarHBondContact OG-NH2 2.95Å; S941-A945 PolarHBondContact O-N 3.27Å; S941-T1036 PolarHBondContact OG-O 2.71Å; S941-Q1037 WeakPolarHBondContact O-CG 3.33Å
942L91.9Very high88.4Confident15 Ų1565 Ų658%0.07936%0.355CS..Hα-helixtrans-60-43.4170.5-74.5171.1000111.8M896 I899 I902 L938 R944 A945 H946M896-L942 HydrophobicContact SD-CD2 3.83Å; M896-L942 HydrophobicContact SD-CG 4.18Å; I899-L942 HydrophobicContact CG1-CD2 4.42Å; I902-L942 HydrophobicContact CD1-CD1 4.12Å; I902-L942 HydrophobicContact CD1-CD2 3.99Å; I902-L942 HydrophobicContact CD1-CG 4.33Å; I902-L942 HydrophobicContact CG1-CD1 4.25Å; I902-L942 HydrophobicContact CG1-CD2 4.31Å; L938-L942 PolarHBondContact O-N 3.12Å; L942-R944 VanDerWaalsContact C-N 3.29Å; L942-R944 PolarHBondContact O-N 2.93Å; L942-A945 PolarHBondContact O-N 3.42Å; L942-H946 PolarHBondContact O-N 3.44Å
943K91.6Very high89.2Confident122 Ų12261.8 Ų61.853%0.5335%0.345SS..Hα-helixtrans-59.6-38174.4-70.3168.7-172.3169.30112.4E939 E940 S941 A947E939-K943 WeakPolarHBondContact O-CG 3.46Å; E939-K943 PolarHBondContact O-N 2.76Å; E939-K943 WeakPolarHBondContact OE1-CE 3.4Å; E939-K943 IonicContact OE1-NZ 3.55Å; E939-K943 PolarHBondContact OE1-NZ 2.89Å; E940-K943 PolarHBondContact O-N 2.92Å; S941-K943 PolarHBondContact O-N 3.03Å; K943-A947 PolarHBondContact O-N 2.92Å
944R93.1Very high90.5Very high72 Ų7257.5 Ų57.527%0.27232%0.321SS..Hα-helixtrans-65.3-46.4173.3-76.1-169.5-76.9-97.2-9.2112.2E940 S941 L942 H946 A947 A948 T1036 Q1037E940-R944 PolarHBondContact O-N 2.91Å; E940-R944 IonicContact OE1-CZ 3.49Å; E940-R944 IonicContact OE1-NH1 2.65Å; E940-R944 PolarHBondContact OE1-NH1 2.99Å; E940-R944 IonicContact OE2-CZ 2.66Å; E940-R944 VanDerWaalsContact OE2-CZ 3.27Å; E940-R944 IonicContact OE2-NH1 3.68Å; E940-R944 PolarHBondContact OE2-NH1 3.3Å; E940-R944 IonicContact OE2-NH2 3.88Å; E940-R944 PolarHBondContact OE2-NH2 3.12Å; S941-R944 WeakPolarHBondContact O-CB 3.35Å; S941-R944 PolarHBondContact O-N 3.1Å; S941-R944 PolarHBondContact OG-NH2 2.95Å; L942-R944 VanDerWaalsContact C-N 3.29Å; L942-R944 PolarHBondContact O-N 2.93Å; R944-H946 VanDerWaalsContact C-N 3.33Å; R944-H946 PolarHBondContact O-N 2.82Å; R944-A947 PolarHBondContact O-N 3.24Å; R944-A947 VanDerWaalsContact O-N 3.15Å; R944-A948 PolarHBondContact O-N 3.26Å; R944-T1036 PolarHBondContact NE-O 3.29Å; R944-T1036 PolarHBondContact NH2-O 3.04Å; R944-Q1037 HydrophobicContact CB-CB 3.72Å; R944-Q1037 VanDerWaalsContact CD-O 3.29Å; R944-Q1037 WeakPolarHBondContact CD-O 3.48Å; R944-Q1037 PolarHBondContact NE-O 3.04Å
945A92Very high91.6Very high8 Ų857.9 Ų57.97%0.06632%0.321CS..Hα-helixtrans-57.8-43.2177.600000112.5M896 S941 L942 A947 Q1037M896-A945 WeakPolarHBondContact O-CB 3.48Å; S941-A945 PolarHBondContact O-N 3.27Å; L942-A945 PolarHBondContact O-N 3.42Å; A945-A947 VanDerWaalsContact C-N 3.3Å; A945-A947 PolarHBondContact O-N 2.78Å; A945-Q1037 HydrophobicContact CB-CG 4Å
946H89.9Confident92.4Very high105 Ų10552.5 Ų52.549%0.48628%0.283SS..Hα-helixtrans-69.5-25.8179.1-61.4165.3000113.4I899 L942 R944I899-H946 PolarHBondContact O-NE2 3.48Å; L942-H946 PolarHBondContact O-N 3.44Å; R944-H946 VanDerWaalsContact C-N 3.33Å; R944-H946 PolarHBondContact O-N 2.82Å
947A92Very high92.7Very high87 Ų8752.5 Ų52.572%0.71928%0.283SS*.Hα-helixtrans-76.9-43177.900000112.8K943 R944 A945K943-A947 PolarHBondContact O-N 2.92Å; R944-A947 PolarHBondContact O-N 3.24Å; R944-A947 VanDerWaalsContact O-N 3.15Å; A945-A947 VanDerWaalsContact C-N 3.3Å; A945-A947 PolarHBondContact O-N 2.78Å
948A90.9Very high92.8Very high53 Ų5350.7 Ų50.744%0.43827%0.27SS..  trans-161.7143.7174.700000112.6R944 L950R944-A948 PolarHBondContact O-N 3.26Å; A948-L950 PolarHBondContact O-N 3.23Å
949P92.2Very high92.7Very high61 Ų6150.6 Ų50.640%0.39627%0.269SS..  trans-62.5122.4171.5-20.231.7000111.7F951 K952 A976P949-F951 VanDerWaalsContact C-N 3.29Å; P949-F951 PolarHBondContact O-N 3.15Å; P949-F951 VanDerWaalsContact O-N 3.17Å; P949-K952 HydrophobicContact CB-CB 4.35Å; P949-K952 WeakPolarHBondContact O-CB 3.14Å; P949-K952 PolarHBondContact O-N 3.14Å; P949-A976 WeakPolarHBondContact CB-O 3.14Å
950L94.6Very high92.2Very high23 Ų2348.6 Ų48.612%0.1227%0.265CS..THydrogen-bonded Turntrans-48.5-43.7-174-179.466.1000114.8A948 K954 A976 G1033 V1034 L1039A948-L950 PolarHBondContact O-N 3.23Å; L950-K954 PolarHBondContact O-NZ 3.34Å; L950-A976 PolarHBondContact N-O 3.2Å; L950-G1033 VanDerWaalsContact CD2-C 3.46Å; L950-G1033 WeakPolarHBondContact CD2-O 3.3Å; L950-V1034 HydrophobicContact CD2-CG2 4.13Å; L950-L1039 HydrophobicContact CD1-CD2 3.76Å; L950-L1039 HydrophobicContact CD1-CG 3.83Å; L950-L1039 HydrophobicContact CD2-CD2 3.97Å; L950-L1039 HydrophobicContact CG-CD2 3.77Å; L950-L1039 HydrophobicContact CG-CG 4.3Å
951F95.3Very high91.3Very high0 Ų045.3 Ų45.30%026%0.258CS..THydrogen-bonded Turntrans-97.612.5-176.4-58.9-39.8000113.3P949 G953 K954 F956 L973 A976 G977 G978 I1030 V1034 L1039P949-F951 VanDerWaalsContact C-N 3.29Å; P949-F951 PolarHBondContact O-N 3.15Å; P949-F951 VanDerWaalsContact O-N 3.17Å; F951-G953 PolarHBondContact O-N 3.36Å; F951-K954 HydrophobicContact CB-CB 4.48Å; F951-K954 WeakPolarHBondContact O-CB 3.39Å; F951-K954 PolarHBondContact O-N 2.96Å; F951-F956 HydrophobicContact CB-CE2 3.97Å; F951-F956 AromaticContact CD1-CE2 3.77Å; F951-F956 HydrophobicContact CD1-CE2 3.77Å; F951-F956 AromaticContact CD1-CZ 3.45Å; F951-F956 HydrophobicContact CD1-CZ 3.45Å; F951-F956 VanDerWaalsContact CD1-CZ 3.45Å; F951-F956 HydrophobicContact CD2-CE2 4.22Å; F951-F956 HydrophobicContact CD2-CZ 4.42Å; F951-F956 HydrophobicContact CE1-CE1 4.39Å; F951-F956 HydrophobicContact CE1-CE2 4.28Å; F951-F956 AromaticContact CE1-CZ 3.6Å; F951-F956 HydrophobicContact CE1-CZ 3.6Å; F951-F956 AromaticContact CG-CE2 3.74Å; F951-F956 HydrophobicContact CG-CE2 3.74Å; F951-F956 AromaticContact CG-CZ 3.91Å; F951-F956 HydrophobicContact CG-CZ 3.91Å; F951-F956 HydrophobicContact CZ-CZ 4.21Å; F951-L973 HydrophobicContact CD2-CD2 3.76Å; F951-L973 HydrophobicContact CE2-CD2 3.58Å; F951-L973 HydrophobicContact CZ-CD2 4.18Å; F951-A976 WeakPolarHBondContact CB-O 3.22Å; F951-A976 HydrophobicContact CD2-CB 3.35Å; F951-A976 HydrophobicContact CE2-CB 3.66Å; F951-A976 HydrophobicContact CG-CB 4.21Å; F951-A976 PolarHBondContact N-O 2.94Å; F951-G977 CarbonylContact C-O 3.57Å; F951-G978 VanDerWaalsContact CB-CA 3.48Å; F951-I1030 HydrophobicContact CE2-CG2 4.28Å; F951-I1030 HydrophobicContact CZ-CB 4.42Å; F951-I1030 HydrophobicContact CZ-CG1 4.24Å; F951-I1030 HydrophobicContact CZ-CG2 4.15Å; F951-V1034 HydrophobicContact CE2-CG2 3.48Å; F951-V1034 VanDerWaalsContact CE2-CG2 3.48Å; F951-V1034 HydrophobicContact CZ-CG2 3.62Å; F951-L1039 HydrophobicContact CD1-CD2 4Å; F951-L1039 HydrophobicContact CE1-CD2 3.57Å
952K92.9Very high90.7Very high153 Ų15345.8 Ų45.867%0.66526%0.26SS*.THydrogen-bonded Turntrans-51.7124.6174.5-176.5176.4-179.7179.20110.2P949P949-K952 HydrophobicContact CB-CB 4.35Å; P949-K952 WeakPolarHBondContact O-CB 3.14Å; P949-K952 PolarHBondContact O-N 3.14Å
953G91.6Very high89.5Confident46 Ų4649.5 Ų49.547%0.47429%0.286SS..THydrogen-bonded Turntrans74.620.4-177.500000115F951 P1000 E1001F951-G953 PolarHBondContact O-N 3.36Å; G953-P1000 CarbonylContact O-C 3.56Å; G953-P1000 WeakPolarHBondContact O-CA 3.41Å; G953-P1000 WeakPolarHBondContact O-CB 3.45Å; G953-E1001 PolarHBondContact O-N 3.07Å
954K94.8Very high88.8Confident35 Ų3545.7 Ų45.715%0.15227%0.274CS..EExtended strand (participates in β ladder)trans-123.4134.1179.1-52.4-168.3178.669.80112.5L950 F951 F956 K979 E1001 I1003 L1039 Y1041L950-K954 PolarHBondContact O-NZ 3.34Å; F951-K954 HydrophobicContact CB-CB 4.48Å; F951-K954 WeakPolarHBondContact O-CB 3.39Å; F951-K954 PolarHBondContact O-N 2.96Å; K954-F956 HydrophobicContact CB-CE2 3.79Å; K954-F956 HydrophobicContact CB-CZ 4.39Å; K954-K979 PolarHBondContact O-N 3.33Å; K954-K979 VanDerWaalsContact O-N 3.16Å; K954-E1001 WeakPolarHBondContact CA-O 3.46Å; K954-E1001 WeakPolarHBondContact CD-OE2 3.49Å; K954-E1001 WeakPolarHBondContact CE-OE2 3.41Å; K954-E1001 HydrophobicContact CG-CB 4.31Å; K954-I1003 HydrophobicContact CD-CD1 3.92Å; K954-L1039 HydrophobicContact CD-CD1 3.82Å; K954-Y1041 WeakPolarHBondContact CE-OH 3.48Å
955Y95.9Very high87.8Confident62 Ų6243.5 Ų43.524%0.24327%0.27CS..EExtended strand (participates in β ladder)trans-109.5134176.5-74.5-0.4000109K979 L981 P1000 E1001 I1002 I1003Y955-K979 CarbonylContact C-O 3.54Å; Y955-K979 WeakPolarHBondContact CA-O 3.45Å; Y955-K979 HydrophobicContact CD1-CB 3.66Å; Y955-K979 HydrophobicContact CD1-CD 4.31Å; Y955-K979 HydrophobicContact CD1-CG 4.44Å; Y955-K979 HydrophobicContact CE1-CB 3.76Å; Y955-K979 HydrophobicContact CE1-CD 3.67Å; Y955-K979 HydrophobicContact CE1-CG 4.27Å; Y955-L981 HydrophobicContact CD2-CD2 3.93Å; Y955-L981 HydrophobicContact CG-CD2 4.29Å; Y955-P1000 HydrophobicContact CD1-CB 3.7Å; Y955-P1000 HydrophobicContact CD1-CG 4.18Å; Y955-P1000 HydrophobicContact CD2-CB 3.97Å; Y955-P1000 HydrophobicContact CD2-CG 4.34Å; Y955-P1000 HydrophobicContact CE1-CB 3.85Å; Y955-P1000 HydrophobicContact CE1-CG 3.79Å; Y955-P1000 HydrophobicContact CE2-CB 4.1Å; Y955-P1000 HydrophobicContact CE2-CG 3.95Å; Y955-P1000 HydrophobicContact CG-CB 3.8Å; Y955-P1000 HydrophobicContact CG-CG 4.48Å; Y955-E1001 PolarHBondContact N-O 3.42Å; Y955-I1002 CarbonylContact O-C 3.55Å; Y955-I1002 WeakPolarHBondContact O-CA 3.43Å; Y955-I1003 PolarHBondContact O-N 3.21Å
956F96.5Very high87.4Confident0 Ų046.2 Ų46.20%028%0.283CS..EExtended strand (participates in β ladder)trans-114.8134.9-176.9-72.4-97.1000110.3F951 K954 L958 L973 K979 L980 L981 I1003 I1005 F1029 I1030F951-F956 HydrophobicContact CB-CE2 3.97Å; F951-F956 AromaticContact CD1-CE2 3.77Å; F951-F956 HydrophobicContact CD1-CE2 3.77Å; F951-F956 AromaticContact CD1-CZ 3.45Å; F951-F956 HydrophobicContact CD1-CZ 3.45Å; F951-F956 VanDerWaalsContact CD1-CZ 3.45Å; F951-F956 HydrophobicContact CD2-CE2 4.22Å; F951-F956 HydrophobicContact CD2-CZ 4.42Å; F951-F956 HydrophobicContact CE1-CE1 4.39Å; F951-F956 HydrophobicContact CE1-CE2 4.28Å; F951-F956 AromaticContact CE1-CZ 3.6Å; F951-F956 HydrophobicContact CE1-CZ 3.6Å; F951-F956 AromaticContact CG-CE2 3.74Å; F951-F956 HydrophobicContact CG-CE2 3.74Å; F951-F956 AromaticContact CG-CZ 3.91Å; F951-F956 HydrophobicContact CG-CZ 3.91Å; F951-F956 HydrophobicContact CZ-CZ 4.21Å; K954-F956 HydrophobicContact CB-CE2 3.79Å; K954-F956 HydrophobicContact CB-CZ 4.39Å; F956-L958 HydrophobicContact CB-CD2 4.48Å; F956-L973 HydrophobicContact CB-CD1 3.74Å; F956-L973 HydrophobicContact CB-CD2 4.26Å; F956-L973 HydrophobicContact CD1-CD2 3.89Å; F956-L973 HydrophobicContact CD2-CD1 4.39Å; F956-L973 HydrophobicContact CD2-CD2 3.49Å; F956-L973 VanDerWaalsContact CD2-CD2 3.49Å; F956-L973 HydrophobicContact CE1-CD2 4.08Å; F956-L973 HydrophobicContact CE2-CD2 3.71Å; F956-L973 HydrophobicContact CG-CD1 4.03Å; F956-L973 HydrophobicContact CG-CD2 3.59Å; F956-L973 HydrophobicContact CG-CG 4.47Å; F956-L973 HydrophobicContact CZ-CD2 4Å; F956-K979 PolarHBondContact N-O 3Å; F956-L980 CarbonylContact O-C 3.54Å; F956-L981 WeakPolarHBondContact O-CB 3.36Å; F956-L981 PolarHBondContact O-N 3.15Å; F956-I1003 WeakPolarHBondContact CA-O 3.36Å; F956-I1003 HydrophobicContact CD1-CB 3.97Å; F956-I1003 HydrophobicContact CD1-CG2 4.07Å; F956-I1003 HydrophobicContact CE1-CB 3.88Å; F956-I1003 HydrophobicContact CE1-CD1 4.06Å; F956-I1003 HydrophobicContact CE1-CG2 3.85Å; F956-I1003 HydrophobicContact CZ-CB 4.47Å; F956-I1003 HydrophobicContact CZ-CD1 3.98Å; F956-I1005 HydrophobicContact CD1-CD1 4.3Å; F956-I1005 HydrophobicContact CD1-CG1 3.95Å; F956-I1005 HydrophobicContact CE1-CD1 4.42Å; F956-F1029 HydrophobicContact CE1-CD1 4.15Å; F956-F1029 AromaticContact CE1-CE1 3.89Å; F956-F1029 HydrophobicContact CE1-CE1 3.89Å; F956-F1029 HydrophobicContact CZ-CE1 4.25Å; F956-I1030 HydrophobicContact CD1-CD1 3.94Å; F956-I1030 HydrophobicContact CD1-CG1 4.3Å; F956-I1030 HydrophobicContact CE1-CD1 4.19Å; F956-I1030 HydrophobicContact CE1-CG1 4.03Å
957Y95.3Very high86.8Confident21 Ų2142.1 Ų42.18%0.08227%0.266CS..EExtended strand (participates in β ladder)trans-107.7128.7160.7175.7-109.7000108.8T959 Q984 P985 I1003 L1004 I1005Y957-T959 HydrophobicContact CE1-CG2 4.14Å; Y957-Q984 HydrophobicContact CE1-CB 4.3Å; Y957-Q984 HydrophobicContact CE1-CG 3.92Å; Y957-Q984 HydrophobicContact CE2-CB 4Å; Y957-Q984 HydrophobicContact CE2-CG 4.5Å; Y957-P985 HydrophobicContact CD1-CG 4.46Å; Y957-P985 VanDerWaalsContact CG-CD 3.41Å; Y957-P985 HydrophobicContact CG-CG 4.18Å; Y957-I1003 PolarHBondContact N-O 3.37Å; Y957-L1004 HydrophobicContact CD1-CD2 4.21Å; Y957-I1005 PolarHBondContact O-N 2.89Å
958L93.1Very high86.3Confident5 Ų538.5 Ų38.53%0.02624%0.235CC..EExtended strand (participates in β ladder)trans-113.2136.9177.9-50.4179.4000108.3F956 I962 L966 M969 L973 L980 I1005 I1030F956-L958 HydrophobicContact CB-CD2 4.48Å; L958-I962 HydrophobicContact CB-CG2 4.29Å; L958-L966 HydrophobicContact CB-CD2 3.52Å; L958-L966 HydrophobicContact CD1-CD2 4.05Å; L958-L966 HydrophobicContact CG-CD2 4.41Å; L958-M969 HydrophobicContact CD1-CB 3.54Å; L958-M969 HydrophobicContact CD1-CG 4.43Å; L958-L973 HydrophobicContact CD1-CD1 4.12Å; L958-L973 HydrophobicContact CD2-CD1 4.33Å; L958-L973 HydrophobicContact CG-CD1 4.46Å; L958-L980 HydrophobicContact CB-CD1 4.26Å; L958-L980 HydrophobicContact CD1-CD1 3.76Å; L958-L980 HydrophobicContact CG-CD1 3.6Å; L958-I1005 WeakPolarHBondContact CA-O 3.21Å; L958-I1005 HydrophobicContact CD2-CB 3.54Å; L958-I1005 HydrophobicContact CD2-CG1 3.68Å; L958-I1005 HydrophobicContact CD2-CG2 4.09Å; L958-I1030 HydrophobicContact CD2-CD1 3.83Å
959T88.9Confident86.1Confident1 Ų136 Ų361%0.00621%0.214CC..  trans-77.8156173.465.50000112Y957 G961 I962 I1005 S1006 D1010 L1013Y957-T959 HydrophobicContact CE1-CG2 4.14Å; T959-G961 VanDerWaalsContact C-N 3.34Å; T959-G961 PolarHBondContact O-N 3.33Å; T959-I962 WeakPolarHBondContact O-CB 3.26Å; T959-I962 VanDerWaalsContact O-CG2 3.29Å; T959-I962 WeakPolarHBondContact O-CG2 3.42Å; T959-I962 PolarHBondContact O-N 2.86Å; T959-I1005 PolarHBondContact N-O 3.07Å; T959-I1005 VanDerWaalsContact N-O 3.13Å; T959-S1006 WeakPolarHBondContact OG1-CA 3.25Å; T959-S1006 PolarHBondContact OG1-OG 3.05Å; T959-D1010 VanDerWaalsContact C-OD2 3.3Å; T959-D1010 WeakPolarHBondContact CB-OD2 3.18Å; T959-D1010 HydrophobicContact CG2-CB 4.24Å; T959-D1010 WeakPolarHBondContact OG1-CB 3.41Å; T959-D1010 PolarHBondContact OG1-OD2 2.96Å; T959-L1013 HydrophobicContact CG2-CD1 4.46Å
960P78.8Confident86Confident52 Ų5237.4 Ų37.434%0.33821%0.214SC..THydrogen-bonded Turntrans-73.3-18.5-163.1-1732000116.1Y717 D1010Y717-P960 HydrophobicContact CD1-CB 3.74Å; Y717-P960 HydrophobicContact CD1-CG 4.46Å; Y717-P960 HydrophobicContact CE1-CB 3.94Å; Y717-P960 HydrophobicContact CE1-CG 4.36Å; Y717-P960 HydrophobicContact CG-CB 4.15Å; P960-D1010 WeakPolarHBondContact CD-OD2 3.27Å
961G72.6Confident85.5Confident31 Ų3136.7 Ų36.732%0.3221%0.212SC..THydrogen-bonded Turntrans-95.413.6175.300000114.2T959 C1007 D1010T959-G961 VanDerWaalsContact C-N 3.34Å; T959-G961 PolarHBondContact O-N 3.33Å; G961-C1007 VanDerWaalsContact C-SG 3.6Å; G961-C1007 PolarHBondContact O-SG 3.49Å; G961-D1010 VanDerWaalsContact CA-OD2 3.31Å; G961-D1010 WeakPolarHBondContact CA-OD2 3.49Å; G961-D1010 PolarHBondContact N-OD2 3.01Å
962I80.6Confident85.3Confident10 Ų1036.8 Ų36.85%0.05121%0.212CC..  trans-59.6145.6174-163.763000111.3L958 T959 P964 L966 I1005 S1006 C1007 A1027L958-I962 HydrophobicContact CB-CG2 4.29Å; T959-I962 WeakPolarHBondContact O-CB 3.26Å; T959-I962 VanDerWaalsContact O-CG2 3.29Å; T959-I962 WeakPolarHBondContact O-CG2 3.42Å; T959-I962 PolarHBondContact O-N 2.86Å; I962-P964 CarbonylContact C-O 3.53Å; I962-L966 HydrophobicContact CG2-CD2 3.76Å; I962-L966 HydrophobicContact CG2-CG 4.31Å; I962-I1005 HydrophobicContact CD1-CG2 3.97Å; I962-S1006 WeakPolarHBondContact CD1-O 3.41Å; I962-C1007 HydrophobicContact CD1-CB 4.16Å; I962-A1027 HydrophobicContact CD1-CB 3.91Å; I962-A1027 HydrophobicContact CG1-CB 4.46Å
963C67.8Low85.3Confident93 Ų9329.5 Ų29.563%0.62818%0.18SC*.SBendtrans-129.3129174.6-169.60000109.2A1027C963-A1027 WeakPolarHBondContact O-CB 3.48Å
964P75.8Confident85.2Confident41 Ų4131 Ų3127%0.26618%0.175SC..SBendcis-55.9167.6-7-24.434.9000114.5I962 T968 M969 L1031I962-P964 CarbonylContact C-O 3.53Å; P964-T968 HydrophobicContact CB-CG2 3.47Å; P964-T968 VanDerWaalsContact CB-CG2 3.47Å; P964-T968 HydrophobicContact CG-CG2 4.34Å; P964-M969 HydrophobicContact CB-CG 4.26Å; P964-M969 HydrophobicContact CB-SD 4.31Å; P964-M969 HydrophobicContact CG-SD 4.34Å; P964-M969 WeakPolarHBondContact O-CG 3.47Å; P964-L1031 HydrophobicContact CG-CD1 4.43Å; P964-L1031 HydrophobicContact CG-CD2 4.39Å
965S73.4Confident85Confident26 Ų2629.9 Ų29.918%0.18217%0.171CC..  trans-61.8166.9-170.978.60000114.3E61 S967 T968 M969E61-S965 VanDerWaalsContact OE1-CB 3.28Å; E61-S965 WeakPolarHBondContact OE1-CB 3.47Å; E61-S965 PolarHBondContact OE1-OG 3.38Å; E61-S965 VanDerWaalsContact OE2-CB 3.24Å; E61-S965 WeakPolarHBondContact OE2-CB 3.09Å; E61-S965 PolarHBondContact OE2-OG 3.47Å; S965-S967 VanDerWaalsContact C-N 3.31Å; S965-S967 PolarHBondContact O-N 2.88Å; S965-S967 PolarHBondContact OG-N 3.32Å; S965-S967 PolarHBondContact OG-OG 3.06Å; S965-T968 PolarHBondContact O-N 3.45Å; S965-T968 WeakPolarHBondContact OG-CB 3.34Å; S965-T968 PolarHBondContact OG-N 3.29Å; S965-T968 VanDerWaalsContact OG-N 3.16Å; S965-T968 PolarHBondContact OG-OG1 3.48Å; S965-M969 VanDerWaalsContact O-CB 3.26Å; S965-M969 WeakPolarHBondContact O-CB 3.33Å; S965-M969 WeakPolarHBondContact O-CG 3.4Å; S965-M969 PolarHBondContact O-N 3.33Å
966L82.3Confident84.9Confident66 Ų6626.9 Ų26.935%0.34616%0.16SC..Hα-helixtrans-55.3-41.4174.1-67.4178000113.4L958 I962 K970L958-L966 HydrophobicContact CB-CD2 3.52Å; L958-L966 HydrophobicContact CD1-CD2 4.05Å; L958-L966 HydrophobicContact CG-CD2 4.41Å; I962-L966 HydrophobicContact CG2-CD2 3.76Å; I962-L966 HydrophobicContact CG2-CG 4.31Å; L966-K970 WeakPolarHBondContact O-CB 3.04Å; L966-K970 PolarHBondContact O-N 3.1Å
967S77.9Confident84.7Confident19 Ų1928.8 Ų28.813%0.13318%0.179CC..Hα-helixtrans-71.5-43.3-179.357.30000111.4E61 S965 K970 A971E61-S967 PolarHBondContact OE2-OG 3.46Å; S965-S967 VanDerWaalsContact C-N 3.31Å; S965-S967 PolarHBondContact O-N 2.88Å; S965-S967 PolarHBondContact OG-N 3.32Å; S965-S967 PolarHBondContact OG-OG 3.06Å; S967-K970 WeakPolarHBondContact O-CB 3.3Å; S967-K970 PolarHBondContact O-N 3.34Å; S967-A971 PolarHBondContact O-N 3.09Å; S967-A971 VanDerWaalsContact O-N 3.15Å
968T81.1Confident84.6Confident11 Ų1128.2 Ų28.27%0.06718%0.179CC..Hα-helixtrans-61.5-47.8173.6-72.90000111.6E61 V890 P964 S965 A971 I972E61-T968 PolarHBondContact OE1-OG1 3.39Å; V890-T968 HydrophobicContact CB-CG2 4.34Å; V890-T968 HydrophobicContact CG1-CG2 3.98Å; V890-T968 HydrophobicContact CG2-CG2 3.44Å; V890-T968 VanDerWaalsContact CG2-CG2 3.44Å; P964-T968 HydrophobicContact CB-CG2 3.47Å; P964-T968 VanDerWaalsContact CB-CG2 3.47Å; P964-T968 HydrophobicContact CG-CG2 4.34Å; S965-T968 PolarHBondContact O-N 3.45Å; S965-T968 WeakPolarHBondContact OG-CB 3.34Å; S965-T968 PolarHBondContact OG-N 3.29Å; S965-T968 VanDerWaalsContact OG-N 3.16Å; S965-T968 PolarHBondContact OG-OG1 3.48Å; T968-A971 PolarHBondContact O-N 3.05Å; T968-I972 HydrophobicContact CG2-CD1 4.31Å; T968-I972 PolarHBondContact O-N 3.21Å
969M86.8Confident84.6Confident0 Ų033.4 Ų33.40%020%0.202CC..Hα-helixtrans-68.3-35.2179.8-68.6-69.6-83.200112L958 P964 S965 I972 L973 A1027 I1030 L1031L958-M969 HydrophobicContact CD1-CB 3.54Å; L958-M969 HydrophobicContact CD1-CG 4.43Å; P964-M969 HydrophobicContact CB-CG 4.26Å; P964-M969 HydrophobicContact CB-SD 4.31Å; P964-M969 HydrophobicContact CG-SD 4.34Å; P964-M969 WeakPolarHBondContact O-CG 3.47Å; S965-M969 VanDerWaalsContact O-CB 3.26Å; S965-M969 WeakPolarHBondContact O-CB 3.33Å; S965-M969 WeakPolarHBondContact O-CG 3.4Å; S965-M969 PolarHBondContact O-N 3.33Å; M969-I972 PolarHBondContact O-N 2.81Å; M969-L973 WeakPolarHBondContact O-CB 3.12Å; M969-L973 VanDerWaalsContact O-CG 3.32Å; M969-L973 WeakPolarHBondContact O-CG 3.4Å; M969-L973 PolarHBondContact O-N 3.07Å; M969-A1027 HydrophobicContact CE-CB 4.2Å; M969-I1030 HydrophobicContact CE-CB 3.91Å; M969-I1030 HydrophobicContact CE-CD1 3.71Å; M969-I1030 HydrophobicContact CE-CG1 4.39Å; M969-I1030 HydrophobicContact CE-CG2 4.04Å; M969-L1031 HydrophobicContact SD-CD2 3.85Å; M969-L1031 HydrophobicContact SD-CG 4.45Å
970K89.2Confident84.9Confident90 Ų9034.9 Ų34.939%0.39121%0.209SC..Hα-helixtrans-56.8-48.5170.9-177.7-173.8172.2-170.50111.3L966 S967 I972 L973 E974 L980L966-K970 WeakPolarHBondContact O-CB 3.04Å; L966-K970 PolarHBondContact O-N 3.1Å; S967-K970 WeakPolarHBondContact O-CB 3.3Å; S967-K970 PolarHBondContact O-N 3.34Å; K970-I972 VanDerWaalsContact C-N 3.28Å; K970-I972 PolarHBondContact O-N 2.97Å; K970-L973 PolarHBondContact O-N 3.28Å; K970-E974 WeakPolarHBondContact CE-OE1 3.38Å; K970-E974 VanDerWaalsContact CE-OE2 3.26Å; K970-E974 WeakPolarHBondContact CE-OE2 3.48Å; K970-E974 HydrophobicContact CG-CG 4.2Å; K970-E974 WeakPolarHBondContact O-CB 3.2Å; K970-E974 WeakPolarHBondContact O-CG 3.23Å; K970-E974 PolarHBondContact O-N 3.42Å; K970-L980 HydrophobicContact CB-CD2 3.83Å; K970-L980 HydrophobicContact CD-CD2 4.26Å; K970-L980 HydrophobicContact CG-CB 4.4Å; K970-L980 HydrophobicContact CG-CD2 4.01Å
971A85.1Confident85.5Confident9 Ų933.6 Ų33.67%0.07420%0.2CC..Hα-helixtrans-62.1-34.1179.700000112.9Y42 S894 S967 T968 S975Y42-A971 HydrophobicContact CD1-CB 4.33Å; Y42-A971 HydrophobicContact CE1-CB 3.76Å; S894-A971 PolarHBondContact OG-O 3.12Å; S894-A971 VanDerWaalsContact OG-O 3.13Å; S967-A971 PolarHBondContact O-N 3.09Å; S967-A971 VanDerWaalsContact O-N 3.15Å; T968-A971 PolarHBondContact O-N 3.05Å; A971-S975 WeakPolarHBondContact O-CB 3.27Å; A971-S975 PolarHBondContact O-N 3.46Å; A971-S975 PolarHBondContact O-OG 2.72Å
972I90.1Very high86Confident1 Ų138.7 Ų38.71%0.00522%0.224CC..Hα-helixtrans-70.6-50.9174-65168000110.2V890 L893 S894 T968 M969 K970 E974 S975 A976 I1030 L1031 V1034V890-I972 HydrophobicContact CG1-CD1 4.47Å; V890-I972 HydrophobicContact CG1-CG1 4.26Å; L893-I972 HydrophobicContact CB-CD1 4.2Å; L893-I972 HydrophobicContact CB-CG1 4.22Å; L893-I972 HydrophobicContact CB-CG2 4.38Å; L893-I972 HydrophobicContact CD1-CD1 4Å; S894-I972 WeakPolarHBondContact OG-CA 3.27Å; S894-I972 PolarHBondContact OG-N 3.42Å; T968-I972 HydrophobicContact CG2-CD1 4.31Å; T968-I972 PolarHBondContact O-N 3.21Å; M969-I972 PolarHBondContact O-N 2.81Å; K970-I972 VanDerWaalsContact C-N 3.28Å; K970-I972 PolarHBondContact O-N 2.97Å; I972-E974 PolarHBondContact O-N 2.8Å; I972-S975 PolarHBondContact O-N 2.9Å; I972-S975 PolarHBondContact O-OG 2.9Å; I972-A976 PolarHBondContact O-N 2.86Å; I972-I1030 HydrophobicContact CG2-CG2 3.88Å; I972-L1031 HydrophobicContact CD1-CD2 4.01Å; I972-V1034 HydrophobicContact CG2-CB 4.32Å; I972-V1034 HydrophobicContact CG2-CG1 4.26Å; I972-V1034 HydrophobicContact CG2-CG2 3.92Å
973L93Very high86.2Confident0 Ų045.8 Ų45.80%026%0.255CS..Hα-helixtrans-56.7-50.2178.9-77173.5000113.2F951 F956 L958 M969 K970 S975 A976 G977 G978 L980 I1030F951-L973 HydrophobicContact CD2-CD2 3.76Å; F951-L973 HydrophobicContact CE2-CD2 3.58Å; F951-L973 HydrophobicContact CZ-CD2 4.18Å; F956-L973 HydrophobicContact CB-CD1 3.74Å; F956-L973 HydrophobicContact CB-CD2 4.26Å; F956-L973 HydrophobicContact CD1-CD2 3.89Å; F956-L973 HydrophobicContact CD2-CD1 4.39Å; F956-L973 HydrophobicContact CD2-CD2 3.49Å; F956-L973 VanDerWaalsContact CD2-CD2 3.49Å; F956-L973 HydrophobicContact CE1-CD2 4.08Å; F956-L973 HydrophobicContact CE2-CD2 3.71Å; F956-L973 HydrophobicContact CG-CD1 4.03Å; F956-L973 HydrophobicContact CG-CD2 3.59Å; F956-L973 HydrophobicContact CG-CG 4.47Å; F956-L973 HydrophobicContact CZ-CD2 4Å; L958-L973 HydrophobicContact CD1-CD1 4.12Å; L958-L973 HydrophobicContact CD2-CD1 4.33Å; L958-L973 HydrophobicContact CG-CD1 4.46Å; M969-L973 WeakPolarHBondContact O-CB 3.12Å; M969-L973 VanDerWaalsContact O-CG 3.32Å; M969-L973 WeakPolarHBondContact O-CG 3.4Å; M969-L973 PolarHBondContact O-N 3.07Å; K970-L973 PolarHBondContact O-N 3.28Å; L973-S975 VanDerWaalsContact C-N 3.34Å; L973-S975 PolarHBondContact O-N 3.24Å; L973-A976 CarbonylContact O-C 3.54Å; L973-A976 PolarHBondContact O-N 2.94Å; L973-A976 VanDerWaalsContact O-N 3.15Å; L973-G977 PolarHBondContact O-N 2.78Å; L973-G978 PolarHBondContact O-N 3.21Å; L973-L980 HydrophobicContact CD1-CD1 4.44Å; L973-I1030 HydrophobicContact CD1-CD1 4.2Å; L973-I1030 HydrophobicContact CD2-CD1 3.63Å; L973-I1030 HydrophobicContact CD2-CG1 3.98Å; L973-I1030 HydrophobicContact CD2-CG2 4.23Å; L973-I1030 HydrophobicContact CG-CD1 4.07Å
974E91.3Very high87.1Confident79 Ų7946 Ų4637%0.36925%0.246SC..Hα-helixtrans-67.5-35.1-176.7-70.3177.3163.200111.5K970 I972 A976 G977 G978K970-E974 WeakPolarHBondContact CE-OE1 3.38Å; K970-E974 VanDerWaalsContact CE-OE2 3.26Å; K970-E974 WeakPolarHBondContact CE-OE2 3.48Å; K970-E974 HydrophobicContact CG-CG 4.2Å; K970-E974 WeakPolarHBondContact O-CB 3.2Å; K970-E974 WeakPolarHBondContact O-CG 3.23Å; K970-E974 PolarHBondContact O-N 3.42Å; I972-E974 PolarHBondContact O-N 2.8Å; E974-A976 VanDerWaalsContact C-N 3.26Å; E974-A976 PolarHBondContact O-N 2.78Å; E974-G977 PolarHBondContact O-N 3.16Å; E974-G978 WeakPolarHBondContact CA-O 3.4Å
975S90.1Very high87.8Confident10 Ų1044.3 Ų44.37%0.0724%0.236CC..Hα-helixtrans-65.8-26.5173.573.10000113.9S894 S897 V898 A971 I972 L973S894-S975 VanDerWaalsContact CA-OG 3.28Å; S894-S975 WeakPolarHBondContact CA-OG 3.34Å; S894-S975 WeakPolarHBondContact O-CB 3.18Å; S894-S975 PolarHBondContact O-OG 3.48Å; S897-S975 WeakPolarHBondContact CB-O 3.29Å; V898-S975 VanDerWaalsContact CG2-O 3.26Å; V898-S975 WeakPolarHBondContact CG2-O 3.32Å; A971-S975 WeakPolarHBondContact O-CB 3.27Å; A971-S975 PolarHBondContact O-N 3.46Å; A971-S975 PolarHBondContact O-OG 2.72Å; I972-S975 PolarHBondContact O-N 2.9Å; I972-S975 PolarHBondContact O-OG 2.9Å; L973-S975 VanDerWaalsContact C-N 3.34Å; L973-S975 PolarHBondContact O-N 3.24Å
976A93.3Very high88.6Confident0 Ų046.5 Ų46.50%025%0.251CS..THydrogen-bonded Turntrans-94.810176.900000113.3S897 P949 L950 F951 I972 L973 E974 V1034S897-A976 WeakPolarHBondContact OG-CB 3.4Å; P949-A976 WeakPolarHBondContact CB-O 3.14Å; L950-A976 PolarHBondContact N-O 3.2Å; F951-A976 WeakPolarHBondContact CB-O 3.22Å; F951-A976 HydrophobicContact CD2-CB 3.35Å; F951-A976 HydrophobicContact CE2-CB 3.66Å; F951-A976 HydrophobicContact CG-CB 4.21Å; F951-A976 PolarHBondContact N-O 2.94Å; I972-A976 PolarHBondContact O-N 2.86Å; L973-A976 CarbonylContact O-C 3.54Å; L973-A976 PolarHBondContact O-N 2.94Å; L973-A976 VanDerWaalsContact O-N 3.15Å; E974-A976 VanDerWaalsContact C-N 3.26Å; E974-A976 PolarHBondContact O-N 2.78Å; A976-V1034 HydrophobicContact CB-CG2 4.04Å
977G91.6Very high88.9Confident40 Ų4048.1 Ų48.141%0.41225%0.253SS..THydrogen-bonded Turntrans82.613.2175.600000115.7F951 L973 E974F951-G977 CarbonylContact C-O 3.57Å; L973-G977 PolarHBondContact O-N 2.78Å; E974-G977 PolarHBondContact O-N 3.16Å
978G94.2Very high89.4Confident8 Ų857.5 Ų57.58%0.08229%0.286CS..  trans-93.8165.1175.700000112.4F951 L973 E974F951-G978 VanDerWaalsContact CB-CA 3.48Å; L973-G978 PolarHBondContact O-N 3.21Å; E974-G978 WeakPolarHBondContact CA-O 3.4Å
979K93.6Very high89.8Confident115 Ų11561 Ų6150%0.530%0.3SS..EExtended strand (participates in β ladder)trans-125.4132.1178.6-170176.1-175.5172.30112.1K954 Y955 F956K954-K979 PolarHBondContact O-N 3.33Å; K954-K979 VanDerWaalsContact O-N 3.16Å; Y955-K979 CarbonylContact C-O 3.54Å; Y955-K979 WeakPolarHBondContact CA-O 3.45Å; Y955-K979 HydrophobicContact CD1-CB 3.66Å; Y955-K979 HydrophobicContact CD1-CD 4.31Å; Y955-K979 HydrophobicContact CD1-CG 4.44Å; Y955-K979 HydrophobicContact CE1-CB 3.76Å; Y955-K979 HydrophobicContact CE1-CD 3.67Å; Y955-K979 HydrophobicContact CE1-CG 4.27Å; F956-K979 PolarHBondContact N-O 3Å
980L93.9Very high90Very high31 Ų3161.3 Ų61.316%0.16230%0.302CS..EExtended strand (participates in β ladder)trans-79.7134.7175.5-177.960.4000111.7F956 L958 K970 L973F956-L980 CarbonylContact O-C 3.54Å; L958-L980 HydrophobicContact CB-CD1 4.26Å; L958-L980 HydrophobicContact CD1-CD1 3.76Å; L958-L980 HydrophobicContact CG-CD1 3.6Å; K970-L980 HydrophobicContact CB-CD2 3.83Å; K970-L980 HydrophobicContact CD-CD2 4.26Å; K970-L980 HydrophobicContact CG-CB 4.4Å; K970-L980 HydrophobicContact CG-CD2 4.01Å; L973-L980 HydrophobicContact CD1-CD1 4.44Å
981L91.9Very high89.9Confident26 Ų2659.5 Ų59.514%0.13630%0.295CS..  trans-93.3114170.7-62.9178.2000109.7Y955 F956 P985 I1002Y955-L981 HydrophobicContact CD2-CD2 3.93Å; Y955-L981 HydrophobicContact CG-CD2 4.29Å; F956-L981 WeakPolarHBondContact O-CB 3.36Å; F956-L981 PolarHBondContact O-N 3.15Å; L981-P985 HydrophobicContact CD1-CB 4.42Å; L981-P985 HydrophobicContact CD1-CG 4.46Å; L981-I1002 HydrophobicContact CD1-CD1 4.37Å; L981-I1002 HydrophobicContact CD1-CG1 4.41Å; L981-I1002 HydrophobicContact CD1-CG2 3.96Å
982V82.9Confident90.2Very high138 Ų13864.4 Ų64.484%0.83632%0.317SS*.SBendtrans-73.3-31.1-179.8-174.80000112.4
983K85.1Confident90.2Very high159 Ų15965.4 Ų65.469%0.69132%0.321SS*.SBendtrans-103.5138.2178.2-65.8-177-179.5177.70110.2
984Q86.7Confident89.9Confident96 Ų9672 Ų7245%0.44935%0.35SS..PPolyproline II helixtrans-56.7125.5178.1-176.7174.11.800111.1Y957 Y1017Y957-Q984 HydrophobicContact CE1-CB 4.3Å; Y957-Q984 HydrophobicContact CE1-CG 3.92Å; Y957-Q984 HydrophobicContact CE2-CB 4Å; Y957-Q984 HydrophobicContact CE2-CG 4.5Å; Q984-Y1017 WeakPolarHBondContact CG-OH 3.4Å; Q984-Y1017 PolarHBondContact NE2-OH 2.65Å; Q984-Y1017 VanDerWaalsContact NE2-OH 3.14Å
985P91.3Very high89.8Confident6 Ų675.4 Ų75.44%0.03937%0.366CS..PPolyproline II helixtrans-76.1130.8-177.529.2-33.7000111.4Y957 L981 I990 I1002 L1004 Y1017Y957-P985 HydrophobicContact CD1-CG 4.46Å; Y957-P985 VanDerWaalsContact CG-CD 3.41Å; Y957-P985 HydrophobicContact CG-CG 4.18Å; L981-P985 HydrophobicContact CD1-CB 4.42Å; L981-P985 HydrophobicContact CD1-CG 4.46Å; P985-I990 HydrophobicContact CB-CD1 4.26Å; P985-I990 HydrophobicContact CB-CG1 3.96Å; P985-I990 HydrophobicContact CG-CD1 4.13Å; P985-I990 HydrophobicContact CG-CG1 4.27Å; P985-I1002 HydrophobicContact CB-CG2 4.37Å; P985-I1002 HydrophobicContact CG-CG2 4.14Å; P985-L1004 HydrophobicContact CG-CD2 3.66Å; P985-Y1017 PolarHBondContact O-OH 3.38Å
986S89.9Confident89.8Confident72 Ų7278.3 Ų78.350%0.50338%0.381SS..PPolyproline II helixtrans-73.4153.2175.971.40000111.7R988 K989 I990S986-R988 PolarHBondContact O-N 2.95Å; S986-R988 VanDerWaalsContact O-N 3.16Å; S986-K989 PolarHBondContact O-N 3.19Å; S986-I990 PolarHBondContact O-N 2.72Å; S986-I990 VanDerWaalsContact O-N 3.1Å
987Y88.2Confident89.2Confident100 Ų10088 Ų8839%0.39242%0.422SS..Hα-helixtrans-49.3-42.8177.2174.7-99.9000113K989 I990 M991 K1020 I1022Y987-K989 PolarHBondContact O-N 2.91Å; Y987-I990 PolarHBondContact O-N 3.5Å; Y987-M991 HydrophobicContact CD1-CG 4.33Å; Y987-M991 HydrophobicContact CD2-CG 4.23Å; Y987-M991 HydrophobicContact CE1-CG 3.81Å; Y987-M991 HydrophobicContact CE2-CG 3.67Å; Y987-M991 HydrophobicContact CE2-SD 4.02Å; Y987-M991 VanDerWaalsContact CZ-CG 3.45Å; Y987-M991 WeakPolarHBondContact O-CG 3.45Å; Y987-M991 PolarHBondContact O-N 3.27Å; Y987-K1020 HydrophobicContact CD2-CB 3.71Å; Y987-K1020 HydrophobicContact CD2-CD 4.15Å; Y987-K1020 HydrophobicContact CD2-CG 3.67Å; Y987-K1020 HydrophobicContact CE2-CB 3.6Å; Y987-K1020 HydrophobicContact CE2-CD 3.98Å; Y987-K1020 HydrophobicContact CE2-CG 3.84Å; Y987-K1020 HydrophobicContact CG-CG 4.38Å; Y987-I1022 HydrophobicContact CD2-CD1 3.55Å; Y987-I1022 HydrophobicContact CE2-CD1 3.88Å
988R87.4Confident88.9Confident217 Ų21793.2 Ų93.282%0.81944%0.441SS*.Hα-helixtrans-59.4-46.5178.3-68-174.9-178175.41.4111.9S986 M991 E992S986-R988 PolarHBondContact O-N 2.95Å; S986-R988 VanDerWaalsContact O-N 3.16Å; R988-M991 PolarHBondContact O-N 2.92Å; R988-E992 WeakPolarHBondContact O-CB 3.27Å; R988-E992 PolarHBondContact O-N 3.42Å
989K90Very high88.7Confident84 Ų8495.7 Ų95.737%0.36545%0.452SS..Hα-helixtrans-65.5-39.5179.9-175.2170.6-177168.70112.2S986 Y987 E992 H993 I1002S986-K989 PolarHBondContact O-N 3.19Å; Y987-K989 PolarHBondContact O-N 2.91Å; K989-E992 PolarHBondContact O-N 2.91Å; K989-H993 WeakPolarHBondContact CE-NE2 3.43Å; K989-H993 WeakPolarHBondContact O-CB 3.18Å; K989-H993 PolarHBondContact O-CD2 3.05Å; K989-H993 PolarHBondContact O-N 3.28Å; K989-I1002 HydrophobicContact CG-CD1 4.07Å
990I90.9Very high88.6Confident7 Ų791.6 Ų91.64%0.03644%0.437CS..Hα-helixtrans-63.8-44.3176.2-58.9168.8000110.2P985 S986 Y987 H993 K994 I1002 L1004 Y1017 I1022P985-I990 HydrophobicContact CB-CD1 4.26Å; P985-I990 HydrophobicContact CB-CG1 3.96Å; P985-I990 HydrophobicContact CG-CD1 4.13Å; P985-I990 HydrophobicContact CG-CG1 4.27Å; S986-I990 PolarHBondContact O-N 2.72Å; S986-I990 VanDerWaalsContact O-N 3.1Å; Y987-I990 PolarHBondContact O-N 3.5Å; I990-H993 PolarHBondContact O-N 3.16Å; I990-K994 VanDerWaalsContact O-CB 3.3Å; I990-K994 WeakPolarHBondContact O-CB 3.45Å; I990-K994 PolarHBondContact O-N 2.79Å; I990-I1002 HydrophobicContact CG1-CG2 4.31Å; I990-L1004 HydrophobicContact CD1-CD1 4.12Å; I990-L1004 HydrophobicContact CD1-CD2 4.26Å; I990-Y1017 HydrophobicContact CD1-CD1 3.91Å; I990-Y1017 HydrophobicContact CD1-CE1 3.47Å; I990-Y1017 VanDerWaalsContact CD1-CE1 3.47Å; I990-I1022 HydrophobicContact CB-CD1 4.24Å; I990-I1022 HydrophobicContact CD1-CD1 4.01Å; I990-I1022 HydrophobicContact CG2-CD1 3.98Å; I990-I1022 HydrophobicContact CG2-CG2 4.36Å
991M88.3Confident88.6Confident52 Ų5293.8 Ų93.826%0.25645%0.447SS..Hα-helixtrans-67.2-38.2178.7-69-56.2-60.100113.3Y987 R988 K994 Q995Y987-M991 HydrophobicContact CD1-CG 4.33Å; Y987-M991 HydrophobicContact CD2-CG 4.23Å; Y987-M991 HydrophobicContact CE1-CG 3.81Å; Y987-M991 HydrophobicContact CE2-CG 3.67Å; Y987-M991 HydrophobicContact CE2-SD 4.02Å; Y987-M991 VanDerWaalsContact CZ-CG 3.45Å; Y987-M991 WeakPolarHBondContact O-CG 3.45Å; Y987-M991 PolarHBondContact O-N 3.27Å; R988-M991 PolarHBondContact O-N 2.92Å; M991-K994 PolarHBondContact O-N 2.86Å; M991-Q995 WeakPolarHBondContact O-CB 3.32Å; M991-Q995 VanDerWaalsContact O-CG 3.29Å; M991-Q995 WeakPolarHBondContact O-CG 3.43Å; M991-Q995 PolarHBondContact O-N 3.3Å
992E90.3Very high88.7Confident112 Ų11293.4 Ų93.452%0.52345%0.445SS..Hα-helixtrans-59.1-50.7173.3177.9-179.5-160.200111.4R988 K989 K994 Q995 N996 L999R988-E992 WeakPolarHBondContact O-CB 3.27Å; R988-E992 PolarHBondContact O-N 3.42Å; K989-E992 PolarHBondContact O-N 2.91Å; E992-K994 VanDerWaalsContact C-N 3.31Å; E992-K994 PolarHBondContact O-N 2.8Å; E992-Q995 PolarHBondContact O-N 3.46Å; E992-N996 WeakPolarHBondContact O-CB 3.36Å; E992-N996 PolarHBondContact O-N 2.64Å; E992-L999 HydrophobicContact CG-CD1 4.01Å
993H90.7Very high89.3Confident22 Ų2287.1 Ų87.110%0.10241%0.406CS..Hα-helixtrans-64.1-31.3175.2-79.8-116.6000112.9K989 I990 L999 P1000 I1002K989-H993 WeakPolarHBondContact CE-NE2 3.43Å; K989-H993 WeakPolarHBondContact O-CB 3.18Å; K989-H993 PolarHBondContact O-CD2 3.05Å; K989-H993 PolarHBondContact O-N 3.28Å; I990-H993 PolarHBondContact O-N 3.16Å; H993-L999 HydrophobicContact CB-CB 4.45Å; H993-P1000 PolarHBondContact ND1-O 3.06Å; H993-I1002 HydrophobicContact CB-CD1 4Å; H993-I1002 HydrophobicContact CB-CG1 4.07Å
994K87.4Confident89.7Confident137 Ų13779.8 Ų79.860%0.59637%0.374SS*.Hα-helixtrans-77.6-21.6176.5-167162.6-172.6164.80113.3I990 M991 E992 D1023I990-K994 VanDerWaalsContact O-CB 3.3Å; I990-K994 WeakPolarHBondContact O-CB 3.45Å; I990-K994 PolarHBondContact O-N 2.79Å; M991-K994 PolarHBondContact O-N 2.86Å; E992-K994 VanDerWaalsContact C-N 3.31Å; E992-K994 PolarHBondContact O-N 2.8Å; K994-D1023 IonicContact NZ-OD2 2.71Å
995Q88.4Confident90.1Very high152 Ų15275.2 Ų75.271%0.7135%0.353SS*.Hα-helixtrans-92.1-40.2176.9-73.3175.5-100112.6M991 E992 K997M991-Q995 WeakPolarHBondContact O-CB 3.32Å; M991-Q995 VanDerWaalsContact O-CG 3.29Å; M991-Q995 WeakPolarHBondContact O-CG 3.43Å; M991-Q995 PolarHBondContact O-N 3.3Å; E992-Q995 PolarHBondContact O-N 3.46Å; Q995-K997 PolarHBondContact O-N 3.48Å
996N89.2Confident90.2Very high71 Ų7175 Ų7538%0.3835%0.352SS..  trans-91.7100.4-178.3-174.8-5000111.5E992 N998 L999E992-N996 WeakPolarHBondContact O-CB 3.36Å; E992-N996 PolarHBondContact O-N 2.64Å; N996-N998 PolarHBondContact O-N 3.46Å; N996-N998 WeakPolarHBondContact OD1-CB 3.23Å; N996-N998 PolarHBondContact OD1-N 2.69Å; N996-N998 VanDerWaalsContact OD1-N 3.09Å; N996-L999 HydrophobicContact CB-CD1 4.01Å; N996-L999 HydrophobicContact CB-CG 4.08Å; N996-L999 PolarHBondContact O-N 3.07Å
997K82Confident90.1Very high202 Ų20272.5 Ų72.588%0.87833%0.334SS*.THydrogen-bonded Turntrans-59.5-11.6179.3-64-173.9178.7-1770115.4Q995Q995-K997 PolarHBondContact O-N 3.48Å
998N85.8Confident89.8Confident151 Ų15172.1 Ų72.181%0.80734%0.339SS*.THydrogen-bonded Turntrans-88.3-7.3175.6-59.8-14.3000112.7N996N996-N998 PolarHBondContact O-N 3.46Å; N996-N998 WeakPolarHBondContact OD1-CB 3.23Å; N996-N998 PolarHBondContact OD1-N 2.69Å; N996-N998 VanDerWaalsContact OD1-N 3.09Å
999L89.4Confident89.5Confident59 Ų5965.1 Ų65.131%0.30932%0.318SS..SBendtrans-96.2151175.3-64.5-179.2000111.5E992 H993 N996E992-L999 HydrophobicContact CG-CD1 4.01Å; H993-L999 HydrophobicContact CB-CB 4.45Å; N996-L999 HydrophobicContact CB-CD1 4.01Å; N996-L999 HydrophobicContact CB-CG 4.08Å; N996-L999 PolarHBondContact O-N 3.07Å
1000P91.1Very high89.4Confident30 Ų3061.2 Ų61.220%0.19530%0.301CS..PPolyproline II helixtrans-62.1138.3175.4-26.837.6000113.1G953 Y955 H993 I1002G953-P1000 CarbonylContact O-C 3.56Å; G953-P1000 WeakPolarHBondContact O-CA 3.41Å; G953-P1000 WeakPolarHBondContact O-CB 3.45Å; Y955-P1000 HydrophobicContact CD1-CB 3.7Å; Y955-P1000 HydrophobicContact CD1-CG 4.18Å; Y955-P1000 HydrophobicContact CD2-CB 3.97Å; Y955-P1000 HydrophobicContact CD2-CG 4.34Å; Y955-P1000 HydrophobicContact CE1-CB 3.85Å; Y955-P1000 HydrophobicContact CE1-CG 3.79Å; Y955-P1000 HydrophobicContact CE2-CB 4.1Å; Y955-P1000 HydrophobicContact CE2-CG 3.95Å; Y955-P1000 HydrophobicContact CG-CB 3.8Å; Y955-P1000 HydrophobicContact CG-CG 4.48Å; H993-P1000 PolarHBondContact ND1-O 3.06Å; P1000-I1002 PolarHBondContact O-N 2.99Å
1001E93.2Very high89.2Confident76 Ų7662.4 Ų62.436%0.35531%0.307SS..EExtended strand (participates in β ladder)trans-61.1134.2174.7-177.9-179.6-14800110.4G953 K954 Y955 I1003 Y1041G953-E1001 PolarHBondContact O-N 3.07Å; K954-E1001 WeakPolarHBondContact CA-O 3.46Å; K954-E1001 WeakPolarHBondContact CD-OE2 3.49Å; K954-E1001 WeakPolarHBondContact CE-OE2 3.41Å; K954-E1001 HydrophobicContact CG-CB 4.31Å; Y955-E1001 PolarHBondContact N-O 3.42Å; E1001-I1003 HydrophobicContact CG-CG1 4.09Å; E1001-Y1041 WeakPolarHBondContact OE1-CE1 3.33Å; E1001-Y1041 PolarHBondContact OE1-OH 2.7Å; E1001-Y1041 PolarHBondContact OE2-OH 3.39Å
1002I94.7Very high89Confident19 Ų1960.9 Ų60.910%0.09730%0.299CS..EExtended strand (participates in β ladder)trans-100.7115.6174.8-61.2178.7000109.6Y955 L981 P985 K989 I990 H993 P1000 L1004Y955-I1002 CarbonylContact O-C 3.55Å; Y955-I1002 WeakPolarHBondContact O-CA 3.43Å; L981-I1002 HydrophobicContact CD1-CD1 4.37Å; L981-I1002 HydrophobicContact CD1-CG1 4.41Å; L981-I1002 HydrophobicContact CD1-CG2 3.96Å; P985-I1002 HydrophobicContact CB-CG2 4.37Å; P985-I1002 HydrophobicContact CG-CG2 4.14Å; K989-I1002 HydrophobicContact CG-CD1 4.07Å; I990-I1002 HydrophobicContact CG1-CG2 4.31Å; H993-I1002 HydrophobicContact CB-CD1 4Å; H993-I1002 HydrophobicContact CB-CG1 4.07Å; P1000-I1002 PolarHBondContact O-N 2.99Å; I1002-L1004 HydrophobicContact CG2-CD2 4.12Å
1003I94.9Very high88.8Confident6 Ų657.4 Ų57.43%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-106.3136.4177-59.5-177.6000109.5K954 Y955 F956 Y957 E1001 I1005 F1029 Y1041K954-I1003 HydrophobicContact CD-CD1 3.92Å; Y955-I1003 PolarHBondContact O-N 3.21Å; F956-I1003 WeakPolarHBondContact CA-O 3.36Å; F956-I1003 HydrophobicContact CD1-CB 3.97Å; F956-I1003 HydrophobicContact CD1-CG2 4.07Å; F956-I1003 HydrophobicContact CE1-CB 3.88Å; F956-I1003 HydrophobicContact CE1-CD1 4.06Å; F956-I1003 HydrophobicContact CE1-CG2 3.85Å; F956-I1003 HydrophobicContact CZ-CB 4.47Å; F956-I1003 HydrophobicContact CZ-CD1 3.98Å; Y957-I1003 PolarHBondContact N-O 3.37Å; E1001-I1003 HydrophobicContact CG-CG1 4.09Å; I1003-I1005 HydrophobicContact CG2-CD1 3.78Å; I1003-I1005 HydrophobicContact CG2-CG1 4.46Å; I1003-F1029 HydrophobicContact CD1-CE1 3.8Å; I1003-F1029 HydrophobicContact CD1-CZ 3.78Å; I1003-F1029 HydrophobicContact CG2-CD1 4.44Å; I1003-F1029 HydrophobicContact CG2-CE1 4.07Å; I1003-F1029 HydrophobicContact CG2-CZ 4.41Å; I1003-Y1041 HydrophobicContact CD1-CE1 4.02Å
1004L95.1Very high88.8Confident4 Ų456.5 Ų56.52%0.02128%0.28CS..EExtended strand (participates in β ladder)trans-105.8127.4178.6-52.2-175.8000110.1Y957 P985 I990 I1002 Y1017 I1022 V1024 H1025Y957-L1004 HydrophobicContact CD1-CD2 4.21Å; P985-L1004 HydrophobicContact CG-CD2 3.66Å; I990-L1004 HydrophobicContact CD1-CD1 4.12Å; I990-L1004 HydrophobicContact CD1-CD2 4.26Å; I1002-L1004 HydrophobicContact CG2-CD2 4.12Å; L1004-Y1017 HydrophobicContact CD1-CD1 3.65Å; L1004-Y1017 HydrophobicContact CD1-CD2 3.49Å; L1004-Y1017 VanDerWaalsContact CD1-CD2 3.49Å; L1004-Y1017 HydrophobicContact CD1-CE1 3.9Å; L1004-Y1017 HydrophobicContact CD1-CE2 3.75Å; L1004-Y1017 HydrophobicContact CD1-CG 3.44Å; L1004-Y1017 VanDerWaalsContact CD1-CG 3.44Å; L1004-I1022 HydrophobicContact CD1-CG2 3.65Å; L1004-I1022 HydrophobicContact CG-CG2 4.43Å; L1004-V1024 HydrophobicContact CB-CB 4.48Å; L1004-V1024 HydrophobicContact CB-CG1 4.3Å; L1004-V1024 HydrophobicContact CB-CG2 4.15Å; L1004-V1024 HydrophobicContact CD1-CG2 4.09Å; L1004-V1024 WeakPolarHBondContact O-CA 3.41Å; L1004-H1025 PolarHBondContact O-N 3.12Å
1005I95Very high88.7Confident1 Ų158 Ų581%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-121.5136177.8-47.9-65.6000109.5F956 Y957 L958 T959 I962 I1003 H1025 F1029 I1030F956-I1005 HydrophobicContact CD1-CD1 4.3Å; F956-I1005 HydrophobicContact CD1-CG1 3.95Å; F956-I1005 HydrophobicContact CE1-CD1 4.42Å; Y957-I1005 PolarHBondContact O-N 2.89Å; L958-I1005 WeakPolarHBondContact CA-O 3.21Å; L958-I1005 HydrophobicContact CD2-CB 3.54Å; L958-I1005 HydrophobicContact CD2-CG1 3.68Å; L958-I1005 HydrophobicContact CD2-CG2 4.09Å; T959-I1005 PolarHBondContact N-O 3.07Å; T959-I1005 VanDerWaalsContact N-O 3.13Å; I962-I1005 HydrophobicContact CD1-CG2 3.97Å; I1003-I1005 HydrophobicContact CG2-CD1 3.78Å; I1003-I1005 HydrophobicContact CG2-CG1 4.46Å; I1005-H1025 CarbonylContact C-O 3.58Å; I1005-H1025 VanDerWaalsContact CA-O 3.26Å; I1005-H1025 WeakPolarHBondContact CA-O 3.43Å; I1005-H1025 HydrophobicContact CD1-CB 3.99Å; I1005-F1029 HydrophobicContact CD1-CB 4.14Å; I1005-F1029 HydrophobicContact CD1-CD1 3.93Å; I1005-F1029 HydrophobicContact CD1-CG 4.21Å; I1005-I1030 HydrophobicContact CD1-CD1 4.31Å; I1005-I1030 HydrophobicContact CD1-CG1 4.43Å; I1005-I1030 HydrophobicContact CG1-CD1 3.83Å; I1005-I1030 HydrophobicContact CG1-CG1 4.47Å
1006S92.8Very high88.7Confident0 Ų057.6 Ų57.60%028%0.28CS..  trans-142.8176.5-177.6-166.20000111.7T959 I962 C1014 H1025 N1026T959-S1006 WeakPolarHBondContact OG1-CA 3.25Å; T959-S1006 PolarHBondContact OG1-OG 3.05Å; I962-S1006 WeakPolarHBondContact CD1-O 3.41Å; S1006-C1014 PolarHBondContact OG-SG 3.02Å; S1006-C1014 VanDerWaalsContact OG-SG 3.34Å; S1006-H1025 PolarHBondContact N-O 2.81Å; S1006-N1026 WeakPolarHBondContact O-CA 3.24Å
1007C86.8Confident88.7Confident20 Ų2054.7 Ų54.714%0.13526%0.264CS..  trans-127.4164.3169.571.50000109.8G961 I962 N1009 D1010 L1011G961-C1007 VanDerWaalsContact C-SG 3.6Å; G961-C1007 PolarHBondContact O-SG 3.49Å; I962-C1007 HydrophobicContact CD1-CB 4.16Å; C1007-N1009 VanDerWaalsContact C-N 3.25Å; C1007-N1009 PolarHBondContact O-N 3.49Å; C1007-N1009 VanDerWaalsContact O-N 3.14Å; C1007-D1010 PolarHBondContact O-N 2.79Å; C1007-D1010 VanDerWaalsContact SG-CG 3.54Å; C1007-L1011 PolarHBondContact O-N 3.11Å
1008D83.4Confident89.1Confident93 Ų9348.3 Ų48.350%0.49724%0.237SC..G310 helixtrans-51.8-41.7-176.7-69-93.4000113.7R713 D1010 L1011R713-D1008 PolarHBondContact NH1-O 2.94Å; R713-D1008 PolarHBondContact NH2-O 3.21Å; D1008-D1010 VanDerWaalsContact C-N 3.33Å; D1008-D1010 PolarHBondContact O-N 2.66Å; D1008-L1011 WeakPolarHBondContact O-CG 3.06Å
1009N80.2Confident89.3Confident70 Ų7048.7 Ų48.737%0.37424%0.235SC..G310 helixtrans-58.5-44.2176.8-69.5-38.6000111.9R713 C1007 H1012R713-N1009 PolarHBondContact NH1-O 3Å; C1007-N1009 VanDerWaalsContact C-N 3.25Å; C1007-N1009 PolarHBondContact O-N 3.49Å; C1007-N1009 VanDerWaalsContact O-N 3.14Å; N1009-H1012 PolarHBondContact O-ND1 3.42Å
1010D87.8Confident89.2Confident1 Ų151.6 Ų51.61%0.00525%0.246CC..G310 helixtrans-85.5-7.7-169.5-72.318.2000114.1Y717 T959 P960 G961 C1007 D1008 H1012 L1013Y717-D1010 PolarHBondContact OH-OD1 3.07Å; T959-D1010 VanDerWaalsContact C-OD2 3.3Å; T959-D1010 WeakPolarHBondContact CB-OD2 3.18Å; T959-D1010 HydrophobicContact CG2-CB 4.24Å; T959-D1010 WeakPolarHBondContact OG1-CB 3.41Å; T959-D1010 PolarHBondContact OG1-OD2 2.96Å; P960-D1010 WeakPolarHBondContact CD-OD2 3.27Å; G961-D1010 VanDerWaalsContact CA-OD2 3.31Å; G961-D1010 WeakPolarHBondContact CA-OD2 3.49Å; G961-D1010 PolarHBondContact N-OD2 3.01Å; C1007-D1010 PolarHBondContact O-N 2.79Å; C1007-D1010 VanDerWaalsContact SG-CG 3.54Å; D1008-D1010 VanDerWaalsContact C-N 3.33Å; D1008-D1010 PolarHBondContact O-N 2.66Å; D1010-H1012 PolarHBondContact O-N 3Å; D1010-L1013 WeakPolarHBondContact O-CB 3.45Å; D1010-L1013 PolarHBondContact O-N 3.43Å
1011L87.1Confident89.1Confident33 Ų3356.6 Ų56.617%0.17327%0.271CS..G310 helixtrans-51.3-20176.7-61.9177.7000114.4C1007 D1008 L1013 C1014 F1018 F1046C1007-L1011 PolarHBondContact O-N 3.11Å; D1008-L1011 WeakPolarHBondContact O-CG 3.06Å; L1011-L1013 VanDerWaalsContact C-N 3.32Å; L1011-L1013 PolarHBondContact O-N 2.86Å; L1011-C1014 PolarHBondContact O-N 3.26Å; L1011-F1018 HydrophobicContact CD2-CE2 4.11Å; L1011-F1018 HydrophobicContact CD2-CZ 3.92Å; L1011-F1046 HydrophobicContact CD1-CD1 4.06Å; L1011-F1046 HydrophobicContact CD1-CE1 4.13Å; L1011-F1046 HydrophobicContact CD2-CB 4.35Å; L1011-F1046 HydrophobicContact CD2-CD1 3.82Å; L1011-F1046 HydrophobicContact CD2-CD2 3.77Å; L1011-F1046 HydrophobicContact CD2-CE1 3.96Å; L1011-F1046 HydrophobicContact CD2-CE2 3.9Å; L1011-F1046 HydrophobicContact CD2-CG 3.72Å; L1011-F1046 HydrophobicContact CD2-CZ 3.99Å; L1011-F1046 HydrophobicContact CG-CE1 4.46Å
1012H84.1Confident89Confident19 Ų1953.7 Ų53.79%0.08826%0.257CS..G310 helixtrans-63.8-32.4172.369.6-88.8000113.6I689 Y717 N1009 D1010 R1015I689-H1012 HydrophobicContact CD1-CB 3.58Å; Y717-H1012 PolarHBondContact OH-CE1 2.95Å; Y717-H1012 PolarHBondContact OH-NE2 3.32Å; N1009-H1012 PolarHBondContact O-ND1 3.42Å; D1010-H1012 PolarHBondContact O-N 3Å; H1012-R1015 WeakPolarHBondContact O-CG 3.4Å
1013L86.6Confident88.9Confident40 Ų4055.2 Ų55.221%0.20927%0.266CS..THydrogen-bonded Turntrans-72.4-30.6172.5-57.7179.6000111.8Y717 T959 D1010 L1011 R1015Y717-L1013 HydrophobicContact CE2-CD1 4.5Å; Y717-L1013 WeakPolarHBondContact OH-CD1 3.42Å; T959-L1013 HydrophobicContact CG2-CD1 4.46Å; D1010-L1013 WeakPolarHBondContact O-CB 3.45Å; D1010-L1013 PolarHBondContact O-N 3.43Å; L1011-L1013 VanDerWaalsContact C-N 3.32Å; L1011-L1013 PolarHBondContact O-N 2.86Å; L1013-R1015 VanDerWaalsContact C-N 3.32Å; L1013-R1015 PolarHBondContact O-N 2.84Å
1014C88.9Confident88.8Confident3 Ų355 Ų552%0.0226%0.264CS..THydrogen-bonded Turntrans-83.6-2-173.7-60.90000114.5S1006 L1011 E1016 Y1017 F1018 V1024S1006-C1014 PolarHBondContact OG-SG 3.02Å; S1006-C1014 VanDerWaalsContact OG-SG 3.34Å; L1011-C1014 PolarHBondContact O-N 3.26Å; C1014-E1016 VanDerWaalsContact C-N 3.27Å; C1014-E1016 PolarHBondContact O-N 3.4Å; C1014-Y1017 HydrophobicContact CB-CD2 4.24Å; C1014-Y1017 WeakPolarHBondContact O-CB 3.34Å; C1014-Y1017 PolarHBondContact O-N 3.3Å; C1014-F1018 HydrophobicContact CB-CD2 4.07Å; C1014-F1018 HydrophobicContact CB-CE2 3.48Å; C1014-F1018 VanDerWaalsContact CB-CE2 3.48Å; C1014-F1018 HydrophobicContact CB-CZ 4.02Å; C1014-F1018 VanDerWaalsContact O-CD2 3.28Å; C1014-F1018 WeakPolarHBondContact O-CD2 3.34Å; C1014-F1018 PolarHBondContact O-N 3.27Å; C1014-V1024 HydrophobicContact CB-CG2 4.34Å
1015R87.3Confident88.8Confident167 Ų16755 Ų5563%0.6327%0.265SS*.Hα-helixtrans-51.6-40.6-176.4-73.6177.5173.7177.5-0.1113.9H1012 L1013 Y1017 F1018 M1019H1012-R1015 WeakPolarHBondContact O-CG 3.4Å; L1013-R1015 VanDerWaalsContact C-N 3.32Å; L1013-R1015 PolarHBondContact O-N 2.84Å; R1015-Y1017 VanDerWaalsContact C-N 3.32Å; R1015-Y1017 PolarHBondContact O-N 3.13Å; R1015-F1018 PolarHBondContact O-N 3.07Å; R1015-M1019 WeakPolarHBondContact O-CB 3.41Å; R1015-M1019 WeakPolarHBondContact O-CG 3.41Å; R1015-M1019 PolarHBondContact O-N 3.32Å
1016E86.4Confident88.6Confident145 Ų14557.2 Ų57.268%0.67828%0.276SS*.Hα-helixtrans-65.9-33.6178.1-64.2-164.7168.200112.8C1014 K1020C1014-E1016 VanDerWaalsContact C-N 3.27Å; C1014-E1016 PolarHBondContact O-N 3.4Å; E1016-K1020 WeakPolarHBondContact O-CB 3.3Å; E1016-K1020 WeakPolarHBondContact O-CG 3.25Å; E1016-K1020 PolarHBondContact O-N 3.34Å
1017Y90.8Very high88.4Confident9 Ų957.9 Ų57.94%0.03528%0.282CS..Hα-helixtrans-70.6-44.4177.5-56.4-53.3000111.2Q984 P985 I990 L1004 C1014 R1015 M1019 K1020 N1021 I1022 V1024Q984-Y1017 WeakPolarHBondContact CG-OH 3.4Å; Q984-Y1017 PolarHBondContact NE2-OH 2.65Å; Q984-Y1017 VanDerWaalsContact NE2-OH 3.14Å; P985-Y1017 PolarHBondContact O-OH 3.38Å; I990-Y1017 HydrophobicContact CD1-CD1 3.91Å; I990-Y1017 HydrophobicContact CD1-CE1 3.47Å; I990-Y1017 VanDerWaalsContact CD1-CE1 3.47Å; L1004-Y1017 HydrophobicContact CD1-CD1 3.65Å; L1004-Y1017 HydrophobicContact CD1-CD2 3.49Å; L1004-Y1017 VanDerWaalsContact CD1-CD2 3.49Å; L1004-Y1017 HydrophobicContact CD1-CE1 3.9Å; L1004-Y1017 HydrophobicContact CD1-CE2 3.75Å; L1004-Y1017 HydrophobicContact CD1-CG 3.44Å; L1004-Y1017 VanDerWaalsContact CD1-CG 3.44Å; C1014-Y1017 HydrophobicContact CB-CD2 4.24Å; C1014-Y1017 WeakPolarHBondContact O-CB 3.34Å; C1014-Y1017 PolarHBondContact O-N 3.3Å; R1015-Y1017 VanDerWaalsContact C-N 3.32Å; R1015-Y1017 PolarHBondContact O-N 3.13Å; Y1017-M1019 PolarHBondContact O-N 3.5Å; Y1017-K1020 CarbonylContact O-C 3.57Å; Y1017-K1020 WeakPolarHBondContact O-CA 3.21Å; Y1017-K1020 PolarHBondContact O-N 3.3Å; Y1017-N1021 PolarHBondContact O-N 3Å; Y1017-N1021 VanDerWaalsContact O-N 3.09Å; Y1017-I1022 HydrophobicContact CD1-CD1 4.23Å; Y1017-I1022 HydrophobicContact CD1-CG2 4.5Å; Y1017-I1022 PolarHBondContact O-N 3.34Å; Y1017-V1024 HydrophobicContact CD2-CG2 4.48Å
1018F90.8Very high88.4Confident69 Ų6959.1 Ų59.130%0.30329%0.286SS..Hα-helixtrans-60.8-45174.1-60.8-53.9000112L1011 C1014 R1015 K1020 N1021 V1024 F1046L1011-F1018 HydrophobicContact CD2-CE2 4.11Å; L1011-F1018 HydrophobicContact CD2-CZ 3.92Å; C1014-F1018 HydrophobicContact CB-CD2 4.07Å; C1014-F1018 HydrophobicContact CB-CE2 3.48Å; C1014-F1018 VanDerWaalsContact CB-CE2 3.48Å; C1014-F1018 HydrophobicContact CB-CZ 4.02Å; C1014-F1018 VanDerWaalsContact O-CD2 3.28Å; C1014-F1018 WeakPolarHBondContact O-CD2 3.34Å; C1014-F1018 PolarHBondContact O-N 3.27Å; R1015-F1018 PolarHBondContact O-N 3.07Å; F1018-K1020 PolarHBondContact O-N 3.3Å; F1018-N1021 PolarHBondContact O-N 2.85Å; F1018-V1024 HydrophobicContact CD1-CG2 4.49Å; F1018-V1024 HydrophobicContact CE1-CB 3.89Å; F1018-V1024 HydrophobicContact CE1-CG2 3.91Å; F1018-V1024 HydrophobicContact CZ-CB 3.99Å; F1018-V1024 HydrophobicContact CZ-CG1 4.48Å; F1018-V1024 HydrophobicContact CZ-CG2 4.09Å; F1018-F1046 HydrophobicContact CE1-CB 4.02Å; F1018-F1046 HydrophobicContact CZ-CB 3.94Å
1019M87.9Confident88.8Confident159 Ų15954.8 Ų54.878%0.78326%0.262SS*.THydrogen-bonded Turntrans-63.9-9.6174-72.3-175.17300114.4R1015 Y1017R1015-M1019 WeakPolarHBondContact O-CB 3.41Å; R1015-M1019 WeakPolarHBondContact O-CG 3.41Å; R1015-M1019 PolarHBondContact O-N 3.32Å; Y1017-M1019 PolarHBondContact O-N 3.5Å
1020K89.2Confident89.4Confident120 Ų12051.4 Ų51.452%0.52224%0.244SC..THydrogen-bonded Turntrans-1148176.5-65.4-62.7178.2-164.70113.5Y987 E1016 Y1017 F1018 I1022Y987-K1020 HydrophobicContact CD2-CB 3.71Å; Y987-K1020 HydrophobicContact CD2-CD 4.15Å; Y987-K1020 HydrophobicContact CD2-CG 3.67Å; Y987-K1020 HydrophobicContact CE2-CB 3.6Å; Y987-K1020 HydrophobicContact CE2-CD 3.98Å; Y987-K1020 HydrophobicContact CE2-CG 3.84Å; Y987-K1020 HydrophobicContact CG-CG 4.38Å; E1016-K1020 WeakPolarHBondContact O-CB 3.3Å; E1016-K1020 WeakPolarHBondContact O-CG 3.25Å; E1016-K1020 PolarHBondContact O-N 3.34Å; Y1017-K1020 CarbonylContact O-C 3.57Å; Y1017-K1020 WeakPolarHBondContact O-CA 3.21Å; Y1017-K1020 PolarHBondContact O-N 3.3Å; F1018-K1020 PolarHBondContact O-N 3.3Å; K1020-I1022 VanDerWaalsContact C-N 3.25Å; K1020-I1022 HydrophobicContact CB-CD1 4.37Å; K1020-I1022 HydrophobicContact CB-CG1 4.39Å; K1020-I1022 PolarHBondContact O-N 3.33Å
1021N88.5Confident89.5Confident135 Ų13552.2 Ų52.272%0.72225%0.248SC*.THydrogen-bonded Turntrans51.844.7-176.2-16241.5000112.5Y1017 F1018Y1017-N1021 PolarHBondContact O-N 3Å; Y1017-N1021 VanDerWaalsContact O-N 3.09Å; F1018-N1021 PolarHBondContact O-N 2.85Å
1022I90.8Very high89.5Confident15 Ų1551.2 Ų51.28%0.07724%0.244CC..  trans-98.6131.9169.1-67.9174.4000108.1Y987 I990 L1004 Y1017 K1020Y987-I1022 HydrophobicContact CD2-CD1 3.55Å; Y987-I1022 HydrophobicContact CE2-CD1 3.88Å; I990-I1022 HydrophobicContact CB-CD1 4.24Å; I990-I1022 HydrophobicContact CD1-CD1 4.01Å; I990-I1022 HydrophobicContact CG2-CD1 3.98Å; I990-I1022 HydrophobicContact CG2-CG2 4.36Å; L1004-I1022 HydrophobicContact CD1-CG2 3.65Å; L1004-I1022 HydrophobicContact CG-CG2 4.43Å; Y1017-I1022 HydrophobicContact CD1-CD1 4.23Å; Y1017-I1022 HydrophobicContact CD1-CG2 4.5Å; Y1017-I1022 PolarHBondContact O-N 3.34Å; K1020-I1022 VanDerWaalsContact C-N 3.25Å; K1020-I1022 HydrophobicContact CB-CD1 4.37Å; K1020-I1022 HydrophobicContact CB-CG1 4.39Å; K1020-I1022 PolarHBondContact O-N 3.33Å
1023D91.8Very high89.9Confident50 Ų5050.4 Ų50.427%0.26724%0.241SC..  trans-68.9134.2-178.2-47.2-70.9000111.2K994 K1045K994-D1023 IonicContact NZ-OD2 2.71Å; D1023-K1045 HydrophobicContact CB-CD 4.41Å; D1023-K1045 VanDerWaalsContact OD1-CE 3.22Å; D1023-K1045 WeakPolarHBondContact OD1-CE 3.32Å; D1023-K1045 IonicContact OD1-NZ 2.67Å; D1023-K1045 PolarHBondContact OD1-NZ 3.04Å
1024V94.1Very high90.2Very high1 Ų148.5 Ų48.51%0.00623%0.231CC..EExtended strand (participates in β ladder)trans-129.7128.3174.5-174.70000107L1004 C1014 Y1017 F1018 F1046L1004-V1024 HydrophobicContact CB-CB 4.48Å; L1004-V1024 HydrophobicContact CB-CG1 4.3Å; L1004-V1024 HydrophobicContact CB-CG2 4.15Å; L1004-V1024 HydrophobicContact CD1-CG2 4.09Å; L1004-V1024 WeakPolarHBondContact O-CA 3.41Å; C1014-V1024 HydrophobicContact CB-CG2 4.34Å; Y1017-V1024 HydrophobicContact CD2-CG2 4.48Å; F1018-V1024 HydrophobicContact CD1-CG2 4.49Å; F1018-V1024 HydrophobicContact CE1-CB 3.89Å; F1018-V1024 HydrophobicContact CE1-CG2 3.91Å; F1018-V1024 HydrophobicContact CZ-CB 3.99Å; F1018-V1024 HydrophobicContact CZ-CG1 4.48Å; F1018-V1024 HydrophobicContact CZ-CG2 4.09Å; V1024-F1046 HydrophobicContact CG1-CD2 4.18Å; V1024-F1046 PolarHBondContact O-N 2.56Å
1025H94.6Very high90.2Very high6 Ų648.4 Ų48.43%0.02823%0.23CC..EExtended strand (participates in β ladder)trans-111.5164.5-177-46.6-90.3000111.3L1004 I1005 S1006 F1029 Y1041 Y1044 F1046L1004-H1025 PolarHBondContact O-N 3.12Å; I1005-H1025 CarbonylContact C-O 3.58Å; I1005-H1025 VanDerWaalsContact CA-O 3.26Å; I1005-H1025 WeakPolarHBondContact CA-O 3.43Å; I1005-H1025 HydrophobicContact CD1-CB 3.99Å; S1006-H1025 PolarHBondContact N-O 2.81Å; H1025-F1029 HydrophobicContact CB-CB 3.87Å; H1025-F1029 HydrophobicContact CB-CD2 4.12Å; H1025-F1029 HydrophobicContact CB-CG 4.1Å; H1025-F1029 AromaticContact CG-CD2 3.87Å; H1025-F1029 AromaticContact ND1-CD2 3.97Å; H1025-Y1041 PolarHBondContact CE1-O 2.72Å; H1025-Y1041 PolarHBondContact ND1-O 2.97Å; H1025-Y1044 CarbonylContact C-O 3.58Å; H1025-Y1044 WeakPolarHBondContact CA-O 3.33Å; H1025-Y1044 WeakPolarHBondContact CB-O 3.42Å; H1025-F1046 WeakPolarHBondContact O-CE2 3.27Å
1026N90.4Very high90.4Very high46 Ų4641.2 Ų41.225%0.24621%0.205CC..  trans-87.6175.4172.96838.3000111.7S1006 E1028 F1029 Y1044 F1046S1006-N1026 WeakPolarHBondContact O-CA 3.24Å; N1026-E1028 PolarHBondContact O-N 3.35Å; N1026-E1028 VanDerWaalsContact O-N 3.13Å; N1026-E1028 VanDerWaalsContact OD1-CB 3.29Å; N1026-E1028 WeakPolarHBondContact OD1-CB 3.4Å; N1026-E1028 PolarHBondContact OD1-N 3.03Å; N1026-F1029 WeakPolarHBondContact O-CB 3.25Å; N1026-F1029 PolarHBondContact O-N 3.48Å; N1026-Y1044 PolarHBondContact N-O 3.08Å; N1026-F1046 HydrophobicContact CB-CE1 4.48Å; N1026-F1046 HydrophobicContact CB-CE2 3.74Å; N1026-F1046 HydrophobicContact CB-CZ 3.66Å
1027A88.1Confident90.7Very high14 Ų1434.8 Ų34.812%0.11617%0.174CC..THydrogen-bonded Turntrans-56.9-27.7-178.300000114.1I962 C963 M969 F1029 I1030 L1031I962-A1027 HydrophobicContact CD1-CB 3.91Å; I962-A1027 HydrophobicContact CG1-CB 4.46Å; C963-A1027 WeakPolarHBondContact O-CB 3.48Å; M969-A1027 HydrophobicContact CE-CB 4.2Å; A1027-F1029 PolarHBondContact O-N 3.2Å; A1027-I1030 PolarHBondContact O-N 2.83Å; A1027-L1031 HydrophobicContact CB-CD1 4.21Å; A1027-L1031 WeakPolarHBondContact O-CG 3.35Å; A1027-L1031 PolarHBondContact O-N 3.09Å
1028E87.1Confident90.8Very high47 Ų4740.2 Ų40.222%0.2220%0.198CC..Hα-helixtrans-68.3-22.9-175.9-72.5-63155.200113.6R888 N1026 I1030 L1031 T1032 Y1044R888-E1028 IonicContact CZ-OE2 3Å; R888-E1028 IonicContact NH1-OE1 3.81Å; R888-E1028 PolarHBondContact NH1-OE1 3.2Å; R888-E1028 VanDerWaalsContact NH1-OE1 3.09Å; R888-E1028 IonicContact NH1-OE2 2.97Å; R888-E1028 PolarHBondContact NH1-OE2 2.9Å; R888-E1028 IonicContact NH2-OE2 2.66Å; N1026-E1028 PolarHBondContact O-N 3.35Å; N1026-E1028 VanDerWaalsContact O-N 3.13Å; N1026-E1028 VanDerWaalsContact OD1-CB 3.29Å; N1026-E1028 WeakPolarHBondContact OD1-CB 3.4Å; N1026-E1028 PolarHBondContact OD1-N 3.03Å; E1028-I1030 PolarHBondContact O-N 2.93Å; E1028-L1031 PolarHBondContact O-N 2.82Å; E1028-T1032 WeakPolarHBondContact O-CA 3.44Å; E1028-T1032 VanDerWaalsContact O-CB 3.32Å; E1028-T1032 WeakPolarHBondContact O-CB 3.1Å; E1028-T1032 PolarHBondContact O-N 3.03Å; E1028-T1032 PolarHBondContact OE2-OG1 3.35Å; E1028-Y1044 HydrophobicContact CB-CD1 3.44Å; E1028-Y1044 VanDerWaalsContact CB-CD1 3.44Å; E1028-Y1044 HydrophobicContact CB-CE1 3.51Å; E1028-Y1044 HydrophobicContact CB-CG 4.24Å
1029F93.3Very high90.9Very high1 Ų138.5 Ų38.50%0.00419%0.192CC..Hα-helixtrans-52.9-38.8167.4-175.9-84.5000112.1F956 I1003 I1005 H1025 N1026 A1027 G1033 L1039 D1040 Y1041 Y1044F956-F1029 HydrophobicContact CE1-CD1 4.15Å; F956-F1029 AromaticContact CE1-CE1 3.89Å; F956-F1029 HydrophobicContact CE1-CE1 3.89Å; F956-F1029 HydrophobicContact CZ-CE1 4.25Å; I1003-F1029 HydrophobicContact CD1-CE1 3.8Å; I1003-F1029 HydrophobicContact CD1-CZ 3.78Å; I1003-F1029 HydrophobicContact CG2-CD1 4.44Å; I1003-F1029 HydrophobicContact CG2-CE1 4.07Å; I1003-F1029 HydrophobicContact CG2-CZ 4.41Å; I1005-F1029 HydrophobicContact CD1-CB 4.14Å; I1005-F1029 HydrophobicContact CD1-CD1 3.93Å; I1005-F1029 HydrophobicContact CD1-CG 4.21Å; H1025-F1029 HydrophobicContact CB-CB 3.87Å; H1025-F1029 HydrophobicContact CB-CD2 4.12Å; H1025-F1029 HydrophobicContact CB-CG 4.1Å; H1025-F1029 AromaticContact CG-CD2 3.87Å; H1025-F1029 AromaticContact ND1-CD2 3.97Å; N1026-F1029 WeakPolarHBondContact O-CB 3.25Å; N1026-F1029 PolarHBondContact O-N 3.48Å; A1027-F1029 PolarHBondContact O-N 3.2Å; F1029-G1033 WeakPolarHBondContact O-CA 3.33Å; F1029-G1033 PolarHBondContact O-N 3.13Å; F1029-L1039 HydrophobicContact CE1-CD2 4.12Å; F1029-L1039 HydrophobicContact CZ-CB 4.36Å; F1029-L1039 HydrophobicContact CZ-CD2 4.16Å; F1029-D1040 WeakPolarHBondContact CD2-O 3.32Å; F1029-D1040 VanDerWaalsContact CE2-O 3.26Å; F1029-D1040 WeakPolarHBondContact CE2-O 3.27Å; F1029-Y1041 HydrophobicContact CE2-CD1 4.03Å; F1029-Y1041 HydrophobicContact CE2-CD2 4.36Å; F1029-Y1041 HydrophobicContact CE2-CE1 4.39Å; F1029-Y1041 HydrophobicContact CE2-CG 4.04Å; F1029-Y1041 HydrophobicContact CZ-CD1 4.22Å; F1029-Y1041 HydrophobicContact CZ-CE1 4.11Å; F1029-Y1041 HydrophobicContact CZ-CE2 4.49Å; F1029-Y1044 HydrophobicContact CB-CD2 4.34Å; F1029-Y1044 HydrophobicContact CB-CG 4.35Å
1030I93.1Very high91Very high0 Ų033.3 Ų33.30%017%0.167CC..Hα-helixtrans-86.2-48.8176.3-66.6168.4000110.7F951 F956 L958 M969 I972 L973 I1005 A1027 E1028 G1033 V1034F951-I1030 HydrophobicContact CE2-CG2 4.28Å; F951-I1030 HydrophobicContact CZ-CB 4.42Å; F951-I1030 HydrophobicContact CZ-CG1 4.24Å; F951-I1030 HydrophobicContact CZ-CG2 4.15Å; F956-I1030 HydrophobicContact CD1-CD1 3.94Å; F956-I1030 HydrophobicContact CD1-CG1 4.3Å; F956-I1030 HydrophobicContact CE1-CD1 4.19Å; F956-I1030 HydrophobicContact CE1-CG1 4.03Å; L958-I1030 HydrophobicContact CD2-CD1 3.83Å; M969-I1030 HydrophobicContact CE-CB 3.91Å; M969-I1030 HydrophobicContact CE-CD1 3.71Å; M969-I1030 HydrophobicContact CE-CG1 4.39Å; M969-I1030 HydrophobicContact CE-CG2 4.04Å; I972-I1030 HydrophobicContact CG2-CG2 3.88Å; L973-I1030 HydrophobicContact CD1-CD1 4.2Å; L973-I1030 HydrophobicContact CD2-CD1 3.63Å; L973-I1030 HydrophobicContact CD2-CG1 3.98Å; L973-I1030 HydrophobicContact CD2-CG2 4.23Å; L973-I1030 HydrophobicContact CG-CD1 4.07Å; I1005-I1030 HydrophobicContact CD1-CD1 4.31Å; I1005-I1030 HydrophobicContact CD1-CG1 4.43Å; I1005-I1030 HydrophobicContact CG1-CD1 3.83Å; I1005-I1030 HydrophobicContact CG1-CG1 4.47Å; A1027-I1030 PolarHBondContact O-N 2.83Å; E1028-I1030 PolarHBondContact O-N 2.93Å; I1030-G1033 PolarHBondContact O-N 3.2Å; I1030-V1034 HydrophobicContact CG2-CG2 4.45Å; I1030-V1034 WeakPolarHBondContact O-CB 3.27Å; I1030-V1034 WeakPolarHBondContact O-CG2 3.27Å; I1030-V1034 PolarHBondContact O-N 3.32Å
1031L88.6Confident91Very high17 Ų1731.3 Ų31.39%0.08916%0.157CC..Hα-helixtrans-69-48.5-170.9-59.2174.1000112.5L893 P964 M969 I972 A1027 E1028 L1035L893-L1031 HydrophobicContact CD1-CD2 3.69Å; P964-L1031 HydrophobicContact CG-CD1 4.43Å; P964-L1031 HydrophobicContact CG-CD2 4.39Å; M969-L1031 HydrophobicContact SD-CD2 3.85Å; M969-L1031 HydrophobicContact SD-CG 4.45Å; I972-L1031 HydrophobicContact CD1-CD2 4.01Å; A1027-L1031 HydrophobicContact CB-CD1 4.21Å; A1027-L1031 WeakPolarHBondContact O-CG 3.35Å; A1027-L1031 PolarHBondContact O-N 3.09Å; E1028-L1031 PolarHBondContact O-N 2.82Å; L1031-L1035 WeakPolarHBondContact O-CB 3.47Å; L1031-L1035 PolarHBondContact O-N 3.47Å
1032T88.3Confident91Very high13 Ų1331.9 Ų31.98%0.0816%0.156CC..Hα-helixtrans-72.8-35.3172.2-59.40000110.9R888 E1028 V1034 L1035 T1036 Y1044R888-T1032 PolarHBondContact NH1-OG1 3.42Å; R888-T1032 PolarHBondContact NH2-OG1 2.83Å; E1028-T1032 WeakPolarHBondContact O-CA 3.44Å; E1028-T1032 VanDerWaalsContact O-CB 3.32Å; E1028-T1032 WeakPolarHBondContact O-CB 3.1Å; E1028-T1032 PolarHBondContact O-N 3.03Å; E1028-T1032 PolarHBondContact OE2-OG1 3.35Å; T1032-V1034 PolarHBondContact O-N 3.31Å; T1032-L1035 PolarHBondContact O-N 3.44Å; T1032-T1036 HydrophobicContact CG2-CG2 3.88Å; T1032-T1036 WeakPolarHBondContact O-CB 3.32Å; T1032-T1036 WeakPolarHBondContact O-CG2 3.5Å; T1032-T1036 PolarHBondContact O-N 3.31Å; T1032-T1036 PolarHBondContact O-OG1 3.09Å; T1032-Y1044 WeakPolarHBondContact CG2-OH 2.97Å
1033G91.6Very high90.8Very high2 Ų235.1 Ų35.12%0.02118%0.179CC..Hα-helixtrans-59.3-45.8178.100000113.2L950 F1029 I1030 T1036 Q1037 K1038L950-G1033 VanDerWaalsContact CD2-C 3.46Å; L950-G1033 WeakPolarHBondContact CD2-O 3.3Å; F1029-G1033 WeakPolarHBondContact O-CA 3.33Å; F1029-G1033 PolarHBondContact O-N 3.13Å; I1030-G1033 PolarHBondContact O-N 3.2Å; G1033-T1036 PolarHBondContact O-OG1 3.3Å; G1033-Q1037 WeakPolarHBondContact O-CA 3.43Å; G1033-Q1037 PolarHBondContact O-N 3.1Å; G1033-K1038 WeakPolarHBondContact CA-O 3.34Å; G1033-K1038 PolarHBondContact O-N 3.47Å
1034V93.6Very high90.7Very high0 Ų035.2 Ų35.20%018%0.176CC..Hα-helixtrans-71-34.9176169.10000112.4L893 M896 L950 F951 I972 A976 I1030 T1032 Q1037L893-V1034 HydrophobicContact CB-CG1 4.22Å; L893-V1034 HydrophobicContact CD2-CG1 4.47Å; L893-V1034 WeakPolarHBondContact O-CG1 3.49Å; M896-V1034 WeakPolarHBondContact CG-O 3.44Å; L950-V1034 HydrophobicContact CD2-CG2 4.13Å; F951-V1034 HydrophobicContact CE2-CG2 3.48Å; F951-V1034 VanDerWaalsContact CE2-CG2 3.48Å; F951-V1034 HydrophobicContact CZ-CG2 3.62Å; I972-V1034 HydrophobicContact CG2-CB 4.32Å; I972-V1034 HydrophobicContact CG2-CG1 4.26Å; I972-V1034 HydrophobicContact CG2-CG2 3.92Å; A976-V1034 HydrophobicContact CB-CG2 4.04Å; I1030-V1034 HydrophobicContact CG2-CG2 4.45Å; I1030-V1034 WeakPolarHBondContact O-CB 3.27Å; I1030-V1034 WeakPolarHBondContact O-CG2 3.27Å; I1030-V1034 PolarHBondContact O-N 3.32Å; T1032-V1034 PolarHBondContact O-N 3.31Å; V1034-Q1037 PolarHBondContact O-NE2 2.86Å
1035L89.1Confident90.5Very high0 Ų038.4 Ų38.40%019%0.19CC..Hα-helixtrans-65.7-41.3176.7-178.161.4000112.3V886 R888 F892 L893 M896 F934 F936 L1031 T1032V886-L1035 HydrophobicContact CG1-CD1 4.05Å; R888-L1035 HydrophobicContact CG-CD2 4.33Å; F892-L1035 HydrophobicContact CD1-CD1 4.35Å; F892-L1035 HydrophobicContact CE1-CD1 3.85Å; L893-L1035 HydrophobicContact CD2-CB 4.04Å; L893-L1035 HydrophobicContact CD2-CD1 4.47Å; M896-L1035 HydrophobicContact CE-CD1 3.92Å; F934-L1035 HydrophobicContact CB-CD2 4.16Å; F934-L1035 HydrophobicContact CD2-CD2 3.5Å; F934-L1035 HydrophobicContact CE2-CD2 4.01Å; F934-L1035 HydrophobicContact CG-CD2 3.84Å; F936-L1035 HydrophobicContact CD2-CG 4.49Å; F936-L1035 HydrophobicContact CE1-CD2 4.41Å; F936-L1035 HydrophobicContact CE1-CG 4.45Å; F936-L1035 HydrophobicContact CE2-CD1 4Å; F936-L1035 HydrophobicContact CE2-CG 3.9Å; F936-L1035 WeakPolarHBondContact CE2-O 3.38Å; F936-L1035 HydrophobicContact CZ-CD1 3.89Å; F936-L1035 HydrophobicContact CZ-CD2 4.26Å; F936-L1035 HydrophobicContact CZ-CG 3.89Å; L1031-L1035 WeakPolarHBondContact O-CB 3.47Å; L1031-L1035 PolarHBondContact O-N 3.47Å; T1032-L1035 PolarHBondContact O-N 3.44Å
1036T90.6Very high90.2Very high17 Ų1739.6 Ų39.610%0.10420%0.195CC..Hα-helixtrans-92.3-11.7-177.263.10000113.9F936 S941 R944 T1032 G1033 K1038F936-T1036 HydrophobicContact CB-CG2 3.62Å; F936-T1036 HydrophobicContact CD2-CG2 4.17Å; F936-T1036 HydrophobicContact CG-CG2 3.97Å; S941-T1036 PolarHBondContact OG-O 2.71Å; R944-T1036 PolarHBondContact NE-O 3.29Å; R944-T1036 PolarHBondContact NH2-O 3.04Å; T1032-T1036 HydrophobicContact CG2-CG2 3.88Å; T1032-T1036 WeakPolarHBondContact O-CB 3.32Å; T1032-T1036 WeakPolarHBondContact O-CG2 3.5Å; T1032-T1036 PolarHBondContact O-N 3.31Å; T1032-T1036 PolarHBondContact O-OG1 3.09Å; G1033-T1036 PolarHBondContact O-OG1 3.3Å; T1036-K1038 PolarHBondContact O-N 2.94Å
1037Q93.6Very high89.2Confident9 Ų946.7 Ų46.74%0.04224%0.241CC..THydrogen-bonded Turntrans51.842.3-171.6-63.9-74.2-40.600112.2M896 S897 S941 R944 A945 G1033 V1034M896-Q1037 HydrophobicContact CG-CG 4.27Å; S897-Q1037 PolarHBondContact OG-NE2 3.3Å; S941-Q1037 WeakPolarHBondContact O-CG 3.33Å; R944-Q1037 HydrophobicContact CB-CB 3.72Å; R944-Q1037 VanDerWaalsContact CD-O 3.29Å; R944-Q1037 WeakPolarHBondContact CD-O 3.48Å; R944-Q1037 PolarHBondContact NE-O 3.04Å; A945-Q1037 HydrophobicContact CB-CG 4Å; G1033-Q1037 WeakPolarHBondContact O-CA 3.43Å; G1033-Q1037 PolarHBondContact O-N 3.1Å; V1034-Q1037 PolarHBondContact O-NE2 2.86Å
1038K92.4Very high89.3Confident124 Ų12448.4 Ų48.454%0.53925%0.247SC..  trans-142.9142.8179.2-179.6-173171.1-162.30109.4G1033 T1036G1033-K1038 WeakPolarHBondContact CA-O 3.34Å; G1033-K1038 PolarHBondContact O-N 3.47Å; T1036-K1038 PolarHBondContact O-N 2.94Å
1039L92.3Very high89.4Confident32 Ų3248.4 Ų48.417%0.16825%0.249CC..  trans-95139.1172.1-56.7-177.3000110.8L950 F951 K954 F1029 Y1041L950-L1039 HydrophobicContact CD1-CD2 3.76Å; L950-L1039 HydrophobicContact CD1-CG 3.83Å; L950-L1039 HydrophobicContact CD2-CD2 3.97Å; L950-L1039 HydrophobicContact CG-CD2 3.77Å; L950-L1039 HydrophobicContact CG-CG 4.3Å; F951-L1039 HydrophobicContact CD1-CD2 4Å; F951-L1039 HydrophobicContact CE1-CD2 3.57Å; K954-L1039 HydrophobicContact CD-CD1 3.82Å; F1029-L1039 HydrophobicContact CE1-CD2 4.12Å; F1029-L1039 HydrophobicContact CZ-CB 4.36Å; F1029-L1039 HydrophobicContact CZ-CD2 4.16Å; L1039-Y1041 HydrophobicContact CB-CD2 4.22Å; L1039-Y1041 HydrophobicContact CB-CE2 3.7Å; L1039-Y1041 HydrophobicContact CD1-CE2 4.08Å
1040D90.1Very high89.2Confident50 Ų5051.1 Ų51.127%0.26726%0.262SS..  trans-129.7109.6172.2-167.1-39.6000108.6F1029 E1042 S1043 Y1044F1029-D1040 WeakPolarHBondContact CD2-O 3.32Å; F1029-D1040 VanDerWaalsContact CE2-O 3.26Å; F1029-D1040 WeakPolarHBondContact CE2-O 3.27Å; D1040-E1042 PolarHBondContact OD1-N 3.46Å; D1040-S1043 PolarHBondContact OD1-N 2.98Å; D1040-S1043 PolarHBondContact OD2-OG 2.85Å; D1040-Y1044 HydrophobicContact CB-CD2 4.16Å; D1040-Y1044 HydrophobicContact CB-CE2 3.98Å
1041Y89.8Confident88.9Confident79 Ų7954.1 Ų54.131%0.3128%0.278SS..SBendtrans-87.3-11.7-175.8-67.8-104.8000112.5K954 E1001 I1003 H1025 F1029 L1039K954-Y1041 WeakPolarHBondContact CE-OH 3.48Å; E1001-Y1041 WeakPolarHBondContact OE1-CE1 3.33Å; E1001-Y1041 PolarHBondContact OE1-OH 2.7Å; E1001-Y1041 PolarHBondContact OE2-OH 3.39Å; I1003-Y1041 HydrophobicContact CD1-CE1 4.02Å; H1025-Y1041 PolarHBondContact CE1-O 2.72Å; H1025-Y1041 PolarHBondContact ND1-O 2.97Å; F1029-Y1041 HydrophobicContact CE2-CD1 4.03Å; F1029-Y1041 HydrophobicContact CE2-CD2 4.36Å; F1029-Y1041 HydrophobicContact CE2-CE1 4.39Å; F1029-Y1041 HydrophobicContact CE2-CG 4.04Å; F1029-Y1041 HydrophobicContact CZ-CD1 4.22Å; F1029-Y1041 HydrophobicContact CZ-CE1 4.11Å; F1029-Y1041 HydrophobicContact CZ-CE2 4.49Å; L1039-Y1041 HydrophobicContact CB-CD2 4.22Å; L1039-Y1041 HydrophobicContact CB-CE2 3.7Å; L1039-Y1041 HydrophobicContact CD1-CE2 4.08Å
1042E88.3Confident89Confident146 Ų14656.4 Ų56.468%0.68229%0.289SS*.SBendtrans-98.3-51.1-177.1-59.3-59.1151.600111.2D1040 Y1044 K1045D1040-E1042 PolarHBondContact OD1-N 3.46Å; E1042-Y1044 PolarHBondContact O-N 3.07Å; E1042-Y1044 VanDerWaalsContact O-N 3.07Å; E1042-K1045 PolarHBondContact O-N 3.17Å
1043S86.2Confident89Confident83 Ų8359.3 Ų59.358%0.5830%0.303SS*.THydrogen-bonded Turntrans-64.4-18.6-171.3-670000115.6D1040D1040-S1043 PolarHBondContact OD1-N 2.98Å; D1040-S1043 PolarHBondContact OD2-OG 2.85Å
1044Y89Confident88.8Confident52 Ų5263.4 Ų63.420%0.20432%0.324CS..THydrogen-bonded Turntrans-116.26.9-174.6-56.7-60.8000114.2H1025 N1026 E1028 F1029 T1032 D1040 E1042H1025-Y1044 CarbonylContact C-O 3.58Å; H1025-Y1044 WeakPolarHBondContact CA-O 3.33Å; H1025-Y1044 WeakPolarHBondContact CB-O 3.42Å; N1026-Y1044 PolarHBondContact N-O 3.08Å; E1028-Y1044 HydrophobicContact CB-CD1 3.44Å; E1028-Y1044 VanDerWaalsContact CB-CD1 3.44Å; E1028-Y1044 HydrophobicContact CB-CE1 3.51Å; E1028-Y1044 HydrophobicContact CB-CG 4.24Å; F1029-Y1044 HydrophobicContact CB-CD2 4.34Å; F1029-Y1044 HydrophobicContact CB-CG 4.35Å; T1032-Y1044 WeakPolarHBondContact CG2-OH 2.97Å; D1040-Y1044 HydrophobicContact CB-CD2 4.16Å; D1040-Y1044 HydrophobicContact CB-CE2 3.98Å; E1042-Y1044 PolarHBondContact O-N 3.07Å; E1042-Y1044 VanDerWaalsContact O-N 3.07Å
1045K91.4Very high88.5Confident69 Ų6968.2 Ų68.230%0.335%0.349SS..BIsolated β-bridgetrans-80.1137.6-177.8175.2170.9163.6175.40111.9D1023 E1042D1023-K1045 HydrophobicContact CB-CD 4.41Å; D1023-K1045 VanDerWaalsContact OD1-CE 3.22Å; D1023-K1045 WeakPolarHBondContact OD1-CE 3.32Å; D1023-K1045 IonicContact OD1-NZ 2.67Å; D1023-K1045 PolarHBondContact OD1-NZ 3.04Å; E1042-K1045 PolarHBondContact O-N 3.17Å
1046F88.1Confident88.4Confident30 Ų3073.9 Ų73.913%0.13238%0.378CS..  trans-75.9137.1168.2-70.8-76.1000110.7L1011 F1018 V1024 H1025 N1026L1011-F1046 HydrophobicContact CD1-CD1 4.06Å; L1011-F1046 HydrophobicContact CD1-CE1 4.13Å; L1011-F1046 HydrophobicContact CD2-CB 4.35Å; L1011-F1046 HydrophobicContact CD2-CD1 3.82Å; L1011-F1046 HydrophobicContact CD2-CD2 3.77Å; L1011-F1046 HydrophobicContact CD2-CE1 3.96Å; L1011-F1046 HydrophobicContact CD2-CE2 3.9Å; L1011-F1046 HydrophobicContact CD2-CG 3.72Å; L1011-F1046 HydrophobicContact CD2-CZ 3.99Å; L1011-F1046 HydrophobicContact CG-CE1 4.46Å; F1018-F1046 HydrophobicContact CE1-CB 4.02Å; F1018-F1046 HydrophobicContact CZ-CB 3.94Å; V1024-F1046 HydrophobicContact CG1-CD2 4.18Å; V1024-F1046 PolarHBondContact O-N 2.56Å; H1025-F1046 WeakPolarHBondContact O-CE2 3.27Å; N1026-F1046 HydrophobicContact CB-CE1 4.48Å; N1026-F1046 HydrophobicContact CB-CE2 3.74Å; N1026-F1046 HydrophobicContact CB-CZ 3.66Å
1047T69.3Low88.2Confident196 Ų19679.1 Ų79.1100%1.20240%0.402SS*.  trans-107.60-177.159.50000112.6

Retrieved 1,047 of 1,047 residues in 1304.4 ms (Link to these results)

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