A0A077Z1M7_TRITR Loading...

Acidic mammalian chitinase

AlphaFold DB , UniProt , Accession A0A077Z1M7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 994 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
1M80.4Confident84.6Confident166 Ų166104 Ų10482%0.81847%0.47SS*.  0-58.90-170.4173.57000112.1T3 W4 I5M1-T3 PolarHBondContact O-N 2.98Å; M1-W4 WeakPolarHBondContact O-CB 3.29Å; M1-W4 PolarHBondContact O-N 3.34Å; M1-I5 HydrophobicContact CG-CD1 4.22Å; M1-I5 PolarHBondContact O-N 2.7Å; M1-I5 VanDerWaalsContact O-N 3.16Å
2Y88.7Confident84.5Confident93 Ų93103.1 Ų103.137%0.36546%0.461SS..Hα-helixtrans-53.5-45.4-177.8-58.1-27.4000114.1W4 I5 N6 L19 N53 F55Y2-W4 PolarHBondContact O-N 2.77Å; Y2-I5 PolarHBondContact O-N 2.96Å; Y2-N6 PolarHBondContact O-N 3.23Å; Y2-N6 PolarHBondContact O-ND2 2.99Å; Y2-L19 HydrophobicContact CE1-CD1 4.42Å; Y2-N53 HydrophobicContact CD2-CB 4.44Å; Y2-F55 HydrophobicContact CD1-CE2 4.15Å; Y2-F55 AromaticContact CD1-CZ 3.72Å; Y2-F55 HydrophobicContact CD1-CZ 3.72Å; Y2-F55 HydrophobicContact CD2-CE2 4.11Å; Y2-F55 HydrophobicContact CD2-CZ 4.5Å; Y2-F55 HydrophobicContact CE1-CZ 4.34Å; Y2-F55 AromaticContact CG-CE2 3.82Å; Y2-F55 HydrophobicContact CG-CE2 3.82Å; Y2-F55 AromaticContact CG-CZ 3.81Å; Y2-F55 HydrophobicContact CG-CZ 3.81Å
3T82.6Confident84Confident96 Ų96102.8 Ų102.859%0.58949%0.489SS*.Hα-helixtrans-57.6-35.6175.4-39.10000113.2M1 K7M1-T3 PolarHBondContact O-N 2.98Å; T3-K7 VanDerWaalsContact O-CG 3.3Å; T3-K7 WeakPolarHBondContact O-CG 3.37Å; T3-K7 PolarHBondContact O-N 3.21Å; T3-K7 VanDerWaalsContact O-N 3.16Å
4W86.1Confident83.7Confident178 Ų178106.8 Ų106.867%0.67451%0.514SS*.Hα-helixtrans-72.2-43.5179177.287.8000111.3M1 Y2 N6 K7M1-W4 WeakPolarHBondContact O-CB 3.29Å; M1-W4 PolarHBondContact O-N 3.34Å; Y2-W4 PolarHBondContact O-N 2.77Å; W4-N6 VanDerWaalsContact C-N 3.35Å; W4-N6 PolarHBondContact O-N 3.25Å; W4-K7 WeakPolarHBondContact O-CB 3.45Å; W4-K7 PolarHBondContact O-N 3.24Å
5I84.8Confident83.9Confident56 Ų56104.1 Ų104.129%0.28750%0.503SS..Hα-helixtrans-59.8-46.9174.9-64.2176000110.1M1 Y2 K7 L8 T17M1-I5 HydrophobicContact CG-CD1 4.22Å; M1-I5 PolarHBondContact O-N 2.7Å; M1-I5 VanDerWaalsContact O-N 3.16Å; Y2-I5 PolarHBondContact O-N 2.96Å; I5-K7 VanDerWaalsContact C-N 3.26Å; I5-K7 PolarHBondContact O-N 3.47Å; I5-L8 VanDerWaalsContact O-CB 3.26Å; I5-L8 WeakPolarHBondContact O-CB 3.38Å; I5-L8 WeakPolarHBondContact O-CG 3.43Å; I5-L8 PolarHBondContact O-N 3.14Å; I5-T17 HydrophobicContact CG2-CG2 3.95Å
6N87.4Confident84.2Confident8 Ų8101.4 Ų101.44%0.04350%0.495CS..Hα-helixtrans-69.3-20-178.6-72-37.2000113.9Y2 W4 L8 K9 T17 N53 N54Y2-N6 PolarHBondContact O-N 3.23Å; Y2-N6 PolarHBondContact O-ND2 2.99Å; W4-N6 VanDerWaalsContact C-N 3.35Å; W4-N6 PolarHBondContact O-N 3.25Å; N6-L8 VanDerWaalsContact C-N 3.27Å; N6-L8 PolarHBondContact O-N 3.16Å; N6-K9 WeakPolarHBondContact O-CB 3.47Å; N6-K9 PolarHBondContact O-N 3.48Å; N6-T17 WeakPolarHBondContact OD1-CB 3.43Å; N6-T17 WeakPolarHBondContact OD1-CG2 3.33Å; N6-T17 PolarHBondContact OD1-OG1 3.44Å; N6-N53 PolarHBondContact ND2-O 3.14Å; N6-N54 PolarHBondContact ND2-O 2.88Å; N6-N54 PolarHBondContact OD1-O 3.23Å
7K87.2Confident84.7Confident124 Ų12495.9 Ų95.954%0.53947%0.469SS..Hα-helixtrans-69-23170.4-80.5174.4179.4-1750113.1T3 W4 I5 K9 Q10T3-K7 VanDerWaalsContact O-CG 3.3Å; T3-K7 WeakPolarHBondContact O-CG 3.37Å; T3-K7 PolarHBondContact O-N 3.21Å; T3-K7 VanDerWaalsContact O-N 3.16Å; W4-K7 WeakPolarHBondContact O-CB 3.45Å; W4-K7 PolarHBondContact O-N 3.24Å; I5-K7 VanDerWaalsContact C-N 3.26Å; I5-K7 PolarHBondContact O-N 3.47Å; K7-K9 PolarHBondContact O-N 3.36Å; K7-Q10 WeakPolarHBondContact O-CB 3.42Å; K7-Q10 PolarHBondContact O-N 3.17Å; K7-Q10 VanDerWaalsContact O-N 3.08Å
8L86.4Confident85.1Confident57 Ų5793.4 Ų93.430%0.29846%0.457SS..G310 helixtrans-62.2-24.6177.2-62.9175000112.3I5 N6 Q10 R11 Y12 L15I5-L8 VanDerWaalsContact O-CB 3.26Å; I5-L8 WeakPolarHBondContact O-CB 3.38Å; I5-L8 WeakPolarHBondContact O-CG 3.43Å; I5-L8 PolarHBondContact O-N 3.14Å; N6-L8 VanDerWaalsContact C-N 3.27Å; N6-L8 PolarHBondContact O-N 3.16Å; L8-Q10 PolarHBondContact O-N 2.98Å; L8-R11 PolarHBondContact O-N 3.38Å; L8-Y12 HydrophobicContact CB-CD2 4.43Å; L8-Y12 WeakPolarHBondContact O-CD2 3.29Å; L8-Y12 PolarHBondContact O-N 3.09Å; L8-L15 HydrophobicContact CB-CD2 3.57Å
9K84.3Confident85.5Confident36 Ų3688.9 Ų88.916%0.15744%0.436CS..G310 helixtrans-60.8-26.3174.9-59.6-166.1-77.5-167.50113.4N6 K7 R11 Y12 L15 T17 N54 D56N6-K9 WeakPolarHBondContact O-CB 3.47Å; N6-K9 PolarHBondContact O-N 3.48Å; K7-K9 PolarHBondContact O-N 3.36Å; K9-R11 PolarHBondContact O-N 2.75Å; K9-Y12 CarbonylContact O-C 3.52Å; K9-L15 HydrophobicContact CG-CD2 4.41Å; K9-L15 HydrophobicContact CG-CG 4.47Å; K9-T17 HydrophobicContact CD-CG2 4.05Å; K9-T17 WeakPolarHBondContact CE-OG1 3.38Å; K9-T17 HydrophobicContact CG-CG2 4.09Å; K9-T17 PolarHBondContact NZ-OG1 2.97Å; K9-T17 VanDerWaalsContact NZ-OG1 3.12Å; K9-N54 PolarHBondContact NZ-O 3.45Å; K9-D56 WeakPolarHBondContact CD-OD2 3.37Å; K9-D56 IonicContact NZ-OD1 3.25Å; K9-D56 PolarHBondContact NZ-OD1 3.3Å; K9-D56 IonicContact NZ-OD2 2.63Å; K9-D56 PolarHBondContact NZ-OD2 3.41Å
10Q82.4Confident85.8Confident172 Ų17287.3 Ų87.380%0.80444%0.437SS*.G310 helixtrans-68.9-26.3174.3-62.1179-10.300112.3K7 L8K7-Q10 WeakPolarHBondContact O-CB 3.42Å; K7-Q10 PolarHBondContact O-N 3.17Å; K7-Q10 VanDerWaalsContact O-N 3.08Å; L8-Q10 PolarHBondContact O-N 2.98Å
11R80.6Confident86.1Confident158 Ų15884.7 Ų84.760%0.59642%0.424SS*.THydrogen-bonded Turntrans-94-34.8178.8-173.6175-174.2177.64.8112.2L8 K9L8-R11 PolarHBondContact O-N 3.38Å; K9-R11 PolarHBondContact O-N 2.75Å
12Y83.4Confident86.5Confident93 Ų9382.6 Ų82.637%0.36542%0.416SS..  trans-120.991.4-176.5-57-75.7000109.1L8 K9 N14 L15L8-Y12 HydrophobicContact CB-CD2 4.43Å; L8-Y12 WeakPolarHBondContact O-CD2 3.29Å; L8-Y12 PolarHBondContact O-N 3.09Å; K9-Y12 CarbonylContact O-C 3.52Å; Y12-N14 PolarHBondContact O-N 3.42Å; Y12-N14 VanDerWaalsContact O-N 3.07Å; Y12-L15 VanDerWaalsContact O-CB 3.23Å; Y12-L15 WeakPolarHBondContact O-CB 3.31Å; Y12-L15 PolarHBondContact O-N 2.75Å
13A77.3Confident86.5Confident99 Ų9978.7 Ų78.782%0.81840%0.401SS*.THydrogen-bonded Turntrans-58.9-25.2-172.800000114.2
14N80.6Confident86.5Confident159 Ų15976.8 Ų76.885%0.8539%0.391SS*.THydrogen-bonded Turntrans-93.5-0.3178.5-61.3-19.9000113.4Y12 V16Y12-N14 PolarHBondContact O-N 3.42Å; Y12-N14 VanDerWaalsContact O-N 3.07Å; N14-V16 PolarHBondContact O-N 3.44Å
15L86Confident86.1Confident66 Ų6674.5 Ų74.535%0.34639%0.387SS..  trans-73.9121.2179.8178.766000109.9L8 K9 Y12 T17L8-L15 HydrophobicContact CB-CD2 3.57Å; K9-L15 HydrophobicContact CG-CD2 4.41Å; K9-L15 HydrophobicContact CG-CG 4.47Å; Y12-L15 VanDerWaalsContact O-CB 3.23Å; Y12-L15 WeakPolarHBondContact O-CB 3.31Å; Y12-L15 PolarHBondContact O-N 2.75Å; L15-T17 HydrophobicContact CD2-CG2 4.38Å; L15-T17 HydrophobicContact CG-CG2 4.29Å
16V89.7Confident85.9Confident62 Ų6274 Ų7438%0.37639%0.389SS..  trans-102.2129172.2178.80000108.3N14 L18 D56 W96N14-V16 PolarHBondContact O-N 3.44Å; V16-L18 HydrophobicContact CG1-CD2 3.66Å; V16-L18 HydrophobicContact CG1-CG 4.18Å; V16-D56 WeakPolarHBondContact CA-OD2 3.36Å; V16-D56 HydrophobicContact CG1-CB 3.73Å; V16-W96 HydrophobicContact CG1-CG 4.1Å
17T91.7Very high85.5Confident8 Ų878.2 Ų78.25%0.04941%0.412CS..  trans-109.1126178.1550000110.3I5 N6 K9 L15 D56I5-T17 HydrophobicContact CG2-CG2 3.95Å; N6-T17 WeakPolarHBondContact OD1-CB 3.43Å; N6-T17 WeakPolarHBondContact OD1-CG2 3.33Å; N6-T17 PolarHBondContact OD1-OG1 3.44Å; K9-T17 HydrophobicContact CD-CG2 4.05Å; K9-T17 WeakPolarHBondContact CE-OG1 3.38Å; K9-T17 HydrophobicContact CG-CG2 4.09Å; K9-T17 PolarHBondContact NZ-OG1 2.97Å; K9-T17 VanDerWaalsContact NZ-OG1 3.12Å; L15-T17 HydrophobicContact CD2-CG2 4.38Å; L15-T17 HydrophobicContact CG-CG2 4.29Å; T17-D56 PolarHBondContact N-OD2 3.38Å; T17-D56 PolarHBondContact O-N 2.67Å; T17-D56 PolarHBondContact OG1-OD2 3.43Å; T17-D56 VanDerWaalsContact OG1-OD2 3.13Å
18L92.4Very high85.4Confident50 Ų5080 Ų8026%0.26242%0.421SS..EExtended strand (participates in β ladder)trans-119.1141.1-176.3-52.7-179.6000110.4V16 G57 I59 W96 F122V16-L18 HydrophobicContact CG1-CD2 3.66Å; V16-L18 HydrophobicContact CG1-CG 4.18Å; L18-G57 WeakPolarHBondContact CA-O 3.3Å; L18-G57 VanDerWaalsContact CD2-CA 3.43Å; L18-I59 HydrophobicContact CB-CD1 4.22Å; L18-I59 HydrophobicContact CB-CG1 4.2Å; L18-I59 HydrophobicContact CD1-CD1 3.88Å; L18-I59 HydrophobicContact CD1-CG1 3.98Å; L18-W96 HydrophobicContact CD2-CB 3.6Å; L18-W96 HydrophobicContact CD2-CG 4.22Å; L18-F122 HydrophobicContact CD1-CE1 3.95Å; L18-F122 HydrophobicContact CD1-CZ 3.53Å
19L92.4Very high85.4Confident8 Ų878.7 Ų78.74%0.04241%0.414CS..EExtended strand (participates in β ladder)trans-91.1114.4174.1-176.462.9000110.2Y2 I21 L49 F55 G57 L58 I59Y2-L19 HydrophobicContact CE1-CD1 4.42Å; L19-I21 HydrophobicContact CD2-CD1 4.5Å; L19-I21 HydrophobicContact CD2-CG1 4.47Å; L19-I21 HydrophobicContact CG-CG1 4.24Å; L19-L49 HydrophobicContact CD2-CB 4.28Å; L19-L49 HydrophobicContact CD2-CD2 3.46Å; L19-L49 VanDerWaalsContact CD2-CD2 3.46Å; L19-L49 HydrophobicContact CD2-CG 3.56Å; L19-F55 HydrophobicContact CB-CB 4.47Å; L19-F55 HydrophobicContact CB-CD1 4.31Å; L19-F55 HydrophobicContact CB-CD2 3.95Å; L19-F55 HydrophobicContact CB-CE2 4.21Å; L19-F55 HydrophobicContact CB-CG 4Å; L19-F55 HydrophobicContact CD1-CD2 4.41Å; L19-F55 HydrophobicContact CD1-CE2 3.87Å; L19-F55 HydrophobicContact CD1-CZ 4.05Å; L19-F55 HydrophobicContact CD2-CD2 4.39Å; L19-F55 HydrophobicContact CD2-CE2 4.5Å; L19-F55 HydrophobicContact CG-CD2 4.49Å; L19-F55 HydrophobicContact CG-CE2 4.43Å; L19-G57 PolarHBondContact N-O 2.98Å; L19-L58 CarbonylContact O-C 3.39Å; L19-L58 WeakPolarHBondContact O-CA 3.32Å; L19-L58 WeakPolarHBondContact O-CB 2.97Å; L19-I59 PolarHBondContact O-N 3.22Å
20A91.7Very high85.3Confident56 Ų5677 Ų7746%0.46341%0.406SS..EExtended strand (participates in β ladder)trans-81.8130.117300000110.6I59A20-I59 CarbonylContact C-O 3.48Å; A20-I59 VanDerWaalsContact CA-O 3.31Å; A20-I59 WeakPolarHBondContact CA-O 3.34Å; A20-I59 HydrophobicContact CB-CB 4.42Å
21I91.8Very high85.3Confident33 Ų3373 Ų7317%0.16939%0.391CS..EExtended strand (participates in β ladder)trans-123.4119.6-177.3-57.8177000108.5L19 F23 M46 I59 L60 N61L19-I21 HydrophobicContact CD2-CD1 4.5Å; L19-I21 HydrophobicContact CD2-CG1 4.47Å; L19-I21 HydrophobicContact CG-CG1 4.24Å; I21-F23 HydrophobicContact CG2-CD2 4.41Å; I21-F23 HydrophobicContact CG2-CE2 4.32Å; I21-M46 HydrophobicContact CD1-CB 4.36Å; I21-M46 HydrophobicContact CD1-CG 3.78Å; I21-I59 PolarHBondContact N-O 3.37Å; I21-L60 HydrophobicContact CB-CD2 4.19Å; I21-L60 HydrophobicContact CD1-CD2 4.46Å; I21-N61 PolarHBondContact O-N 3.39Å
22D89.6Confident85.6Confident122 Ų12270.3 Ų70.365%0.65238%0.38SS*.EExtended strand (participates in β ladder)trans-81.8128.7176.7-63.3-46.5000111.3N61D22-N61 WeakPolarHBondContact OD1-CB 3.19Å; D22-N61 PolarHBondContact OD1-ND2 2.96Å
23F87.6Confident85.9Confident11 Ų1165.9 Ų65.95%0.04836%0.363CS..PPolyproline II helixtrans-89135.3171.4-85.1-158.6000110.2I21 F29 L33 I42 M46 L60 N61 L62 P63 Y72 L75I21-F23 HydrophobicContact CG2-CD2 4.41Å; I21-F23 HydrophobicContact CG2-CE2 4.32Å; F23-F29 HydrophobicContact CB-CE1 4.01Å; F23-F29 AromaticContact CD1-CE1 3.51Å; F23-F29 HydrophobicContact CD1-CE1 3.51Å; F23-F29 AromaticContact CD1-CZ 3.9Å; F23-F29 HydrophobicContact CD1-CZ 3.9Å; F23-F29 HydrophobicContact CD2-CE1 4.46Å; F23-F29 HydrophobicContact CD2-CZ 4.26Å; F23-F29 HydrophobicContact CE1-CE1 4.03Å; F23-F29 HydrophobicContact CE1-CZ 4.06Å; F23-F29 HydrophobicContact CE2-CZ 4.39Å; F23-F29 AromaticContact CG-CE1 3.76Å; F23-F29 HydrophobicContact CG-CE1 3.76Å; F23-F29 HydrophobicContact CG-CZ 4Å; F23-F29 HydrophobicContact CZ-CZ 4.3Å; F23-L33 HydrophobicContact CD1-CD1 4.14Å; F23-L33 HydrophobicContact CE1-CD1 3.84Å; F23-I42 HydrophobicContact CE2-CD1 4.18Å; F23-I42 HydrophobicContact CZ-CD1 4.12Å; F23-M46 HydrophobicContact CE2-CE 3.43Å; F23-M46 VanDerWaalsContact CE2-CE 3.43Å; F23-M46 HydrophobicContact CZ-CE 3.52Å; F23-L60 HydrophobicContact CE2-CD2 4.03Å; F23-L60 HydrophobicContact CZ-CD1 4.15Å; F23-L60 HydrophobicContact CZ-CD2 4.3Å; F23-N61 PolarHBondContact N-O 2.88Å; F23-N61 VanDerWaalsContact N-O 3.08Å; F23-L62 HydrophobicContact CD1-CD2 4.11Å; F23-L62 HydrophobicContact CE1-CD2 4.47Å; F23-P63 HydrophobicContact CB-CG 4.47Å; F23-Y72 AromaticContact CD1-CE1 3.78Å; F23-Y72 HydrophobicContact CD1-CE1 3.78Å; F23-Y72 HydrophobicContact CE1-CE1 4.03Å; F23-L75 HydrophobicContact CE1-CD2 3.68Å; F23-L75 HydrophobicContact CZ-CD2 3.78Å
24P84.4Confident86.4Confident57 Ų5763.4 Ų63.437%0.3734%0.343SS..PPolyproline II helixtrans-66152.7179.430-36.2000110.8S26 F29 H30P24-S26 PolarHBondContact O-N 3.22Å; P24-F29 HydrophobicContact CG-CB 3.72Å; P24-F29 HydrophobicContact CG-CD1 3.54Å; P24-F29 HydrophobicContact CG-CD2 3.7Å; P24-F29 HydrophobicContact CG-CE1 4.01Å; P24-F29 HydrophobicContact CG-CE2 4.15Å; P24-F29 HydrophobicContact CG-CG 3.36Å; P24-F29 HydrophobicContact CG-CZ 4.3Å; P24-H30 PolarHBondContact O-CE1 3.37Å; P24-H30 VanDerWaalsContact O-CE1 3.3Å
25H76.8Confident86.9Confident129 Ų12961.8 Ų61.860%0.59733%0.328SS*.  trans-79.45.9176.8-71.2-78.8000114P63H25-P63 WeakPolarHBondContact ND1-CB 3.42Å
26S81.4Confident87.2Confident46 Ų4663.5 Ų63.532%0.32233%0.334SS..  trans-80.7132.1-173.160.10000112.3P24 E28 F29 H30P24-S26 PolarHBondContact O-N 3.22Å; S26-E28 PolarHBondContact O-N 3.06Å; S26-F29 WeakPolarHBondContact O-CB 3.46Å; S26-F29 PolarHBondContact O-N 3.34Å; S26-F29 VanDerWaalsContact OG-CB 3.25Å; S26-F29 WeakPolarHBondContact OG-CB 3.5Å; S26-F29 PolarHBondContact OG-N 2.98Å; S26-H30 PolarHBondContact O-CD2 3.42Å; S26-H30 VanDerWaalsContact O-CD2 3.28Å; S26-H30 PolarHBondContact O-N 3.36Å
27D78.9Confident87.4Confident97 Ų9766.7 Ų66.752%0.51935%0.345SS..Hα-helixtrans-57.3-38174.6-65.5-31.2000111.5F29 H30 D31D27-F29 VanDerWaalsContact C-N 3.26Å; D27-F29 PolarHBondContact O-N 2.89Å; D27-H30 WeakPolarHBondContact O-CA 3.47Å; D27-H30 WeakPolarHBondContact O-CB 3.39Å; D27-H30 PolarHBondContact O-N 3.07Å; D27-D31 PolarHBondContact O-N 3.39Å
28E83.7Confident87.4Confident160 Ų16066.7 Ų66.775%0.74835%0.345SS*.Hα-helixtrans-54.1-40.3174.3-63.7168.3172.600112.7S26 W32S26-E28 PolarHBondContact O-N 3.06Å; E28-W32 VanDerWaalsContact O-CB 3.28Å; E28-W32 WeakPolarHBondContact O-CB 3.37Å; E28-W32 PolarHBondContact O-N 3.27Å
29F86.2Confident87.4Confident31 Ų3164.9 Ų64.914%0.13634%0.335CS..Hα-helixtrans-71.7-36.8177.2174.4-98.4000111.5F23 P24 S26 D27 W32 L33 I42F23-F29 HydrophobicContact CB-CE1 4.01Å; F23-F29 AromaticContact CD1-CE1 3.51Å; F23-F29 HydrophobicContact CD1-CE1 3.51Å; F23-F29 AromaticContact CD1-CZ 3.9Å; F23-F29 HydrophobicContact CD1-CZ 3.9Å; F23-F29 HydrophobicContact CD2-CE1 4.46Å; F23-F29 HydrophobicContact CD2-CZ 4.26Å; F23-F29 HydrophobicContact CE1-CE1 4.03Å; F23-F29 HydrophobicContact CE1-CZ 4.06Å; F23-F29 HydrophobicContact CE2-CZ 4.39Å; F23-F29 AromaticContact CG-CE1 3.76Å; F23-F29 HydrophobicContact CG-CE1 3.76Å; F23-F29 HydrophobicContact CG-CZ 4Å; F23-F29 HydrophobicContact CZ-CZ 4.3Å; P24-F29 HydrophobicContact CG-CB 3.72Å; P24-F29 HydrophobicContact CG-CD1 3.54Å; P24-F29 HydrophobicContact CG-CD2 3.7Å; P24-F29 HydrophobicContact CG-CE1 4.01Å; P24-F29 HydrophobicContact CG-CE2 4.15Å; P24-F29 HydrophobicContact CG-CG 3.36Å; P24-F29 HydrophobicContact CG-CZ 4.3Å; S26-F29 WeakPolarHBondContact O-CB 3.46Å; S26-F29 PolarHBondContact O-N 3.34Å; S26-F29 VanDerWaalsContact OG-CB 3.25Å; S26-F29 WeakPolarHBondContact OG-CB 3.5Å; S26-F29 PolarHBondContact OG-N 2.98Å; D27-F29 VanDerWaalsContact C-N 3.26Å; D27-F29 PolarHBondContact O-N 2.89Å; F29-W32 HydrophobicContact CD2-CE3 4.18Å; F29-W32 HydrophobicContact CE2-CE3 4.16Å; F29-W32 HydrophobicContact CE2-CZ3 4.22Å; F29-W32 PolarHBondContact O-N 3.35Å; F29-L33 HydrophobicContact CD1-CD1 3.97Å; F29-L33 HydrophobicContact CD1-CG 4.43Å; F29-L33 HydrophobicContact CE1-CD1 3.35Å; F29-L33 HydrophobicContact CE1-CG 4Å; F29-L33 HydrophobicContact CZ-CD1 3.76Å; F29-L33 HydrophobicContact CZ-CD2 4.31Å; F29-L33 HydrophobicContact CZ-CG 4.04Å; F29-L33 WeakPolarHBondContact O-CG 3.3Å; F29-L33 PolarHBondContact O-N 2.99Å; F29-I42 HydrophobicContact CE2-CD1 3.97Å; F29-I42 HydrophobicContact CZ-CD1 3.88Å
30H82.3Confident87.4Confident0 Ų066.6 Ų66.60%035%0.346CS..Hα-helixtrans-66.8-39.4176.6-59.4-32.9000112.3P24 S26 D27 L33 P63 S65 A67 T68 Y72P24-H30 PolarHBondContact O-CE1 3.37Å; P24-H30 VanDerWaalsContact O-CE1 3.3Å; S26-H30 PolarHBondContact O-CD2 3.42Å; S26-H30 VanDerWaalsContact O-CD2 3.28Å; S26-H30 PolarHBondContact O-N 3.36Å; D27-H30 WeakPolarHBondContact O-CA 3.47Å; D27-H30 WeakPolarHBondContact O-CB 3.39Å; D27-H30 PolarHBondContact O-N 3.07Å; H30-L33 PolarHBondContact O-N 3.47Å; H30-P63 VanDerWaalsContact CE1-CG 3.47Å; H30-P63 WeakPolarHBondContact CE1-CG 3.19Å; H30-S65 PolarHBondContact NE2-O 3.44Å; H30-A67 HydrophobicContact CB-CB 4.11Å; H30-T68 PolarHBondContact O-OG1 3.08Å; H30-Y72 PolarHBondContact CE1-OH 3.41Å; H30-Y72 AromaticContact ND1-CZ 3.92Å; H30-Y72 PolarHBondContact ND1-OH 3.12Å
31D83Confident87.5Confident89 Ų8968.8 Ų68.848%0.47635%0.349SS..Hα-helixtrans-67-41.2173.4-72.7-14.7000111D27 L33 A34D27-D31 PolarHBondContact O-N 3.39Å; D31-L33 VanDerWaalsContact C-N 3.3Å; D31-L33 PolarHBondContact O-N 3.03Å; D31-A34 WeakPolarHBondContact O-CB 3.27Å; D31-A34 PolarHBondContact O-N 3.49Å; D31-A34 VanDerWaalsContact O-N 3.08Å
32W87.8Confident87.4Confident100 Ų10068.5 Ų68.538%0.37935%0.347SS..Hα-helixtrans-60.8-38.3175.3-175.775.1000112.2E28 F29 A34 F35 S38 I42E28-W32 VanDerWaalsContact O-CB 3.28Å; E28-W32 WeakPolarHBondContact O-CB 3.37Å; E28-W32 PolarHBondContact O-N 3.27Å; F29-W32 HydrophobicContact CD2-CE3 4.18Å; F29-W32 HydrophobicContact CE2-CE3 4.16Å; F29-W32 HydrophobicContact CE2-CZ3 4.22Å; F29-W32 PolarHBondContact O-N 3.35Å; W32-A34 PolarHBondContact O-N 3.15Å; W32-F35 PolarHBondContact O-N 3.35Å; W32-S38 VanDerWaalsContact CE2-OG 3.24Å; W32-S38 WeakPolarHBondContact CH2-O 3.31Å; W32-S38 PolarHBondContact NE1-OG 3.03Å; W32-S38 WeakPolarHBondContact O-CB 3.36Å; W32-S38 PolarHBondContact O-OG 2.68Å; W32-I42 HydrophobicContact CH2-CB 4.27Å; W32-I42 HydrophobicContact CZ3-CB 4.23Å; W32-I42 HydrophobicContact CZ3-CD1 4.38Å
33L88.7Confident87.5Confident1 Ų163 Ų631%0.00532%0.318CS..THydrogen-bonded Turntrans-66.2-15175.4-79.2177.5000114.5F23 F29 H30 D31 F35 R39 I42 Y72F23-L33 HydrophobicContact CD1-CD1 4.14Å; F23-L33 HydrophobicContact CE1-CD1 3.84Å; F29-L33 HydrophobicContact CD1-CD1 3.97Å; F29-L33 HydrophobicContact CD1-CG 4.43Å; F29-L33 HydrophobicContact CE1-CD1 3.35Å; F29-L33 HydrophobicContact CE1-CG 4Å; F29-L33 HydrophobicContact CZ-CD1 3.76Å; F29-L33 HydrophobicContact CZ-CD2 4.31Å; F29-L33 HydrophobicContact CZ-CG 4.04Å; F29-L33 WeakPolarHBondContact O-CG 3.3Å; F29-L33 PolarHBondContact O-N 2.99Å; H30-L33 PolarHBondContact O-N 3.47Å; D31-L33 VanDerWaalsContact C-N 3.3Å; D31-L33 PolarHBondContact O-N 3.03Å; L33-F35 PolarHBondContact O-N 3.31Å; L33-R39 HydrophobicContact CD2-CG 4.26Å; L33-R39 WeakPolarHBondContact O-CD 3.48Å; L33-R39 VanDerWaalsContact O-CG 3.26Å; L33-R39 WeakPolarHBondContact O-CG 3.09Å; L33-R39 PolarHBondContact O-NH1 3.08Å; L33-I42 HydrophobicContact CD2-CG2 4.24Å; L33-Y72 HydrophobicContact CD1-CE1 4.25Å
34A87.6Confident87.7Confident47 Ų4767.2 Ų67.239%0.38834%0.338SS..THydrogen-bonded Turntrans-66.7-26.8176.600000112.3D31 W32 R39 S71D31-A34 WeakPolarHBondContact O-CB 3.27Å; D31-A34 PolarHBondContact O-N 3.49Å; D31-A34 VanDerWaalsContact O-N 3.08Å; W32-A34 PolarHBondContact O-N 3.15Å; A34-R39 PolarHBondContact O-NH1 3.43Å; A34-S71 WeakPolarHBondContact CA-OG 3.4Å
35F92.1Very high88Confident125 Ų12568.2 Ų68.255%0.54835%0.346SS..SBendtrans-84.6134.7179.9-57.9-83.6000112.1W32 L33 Q37 S38 R39W32-F35 PolarHBondContact O-N 3.35Å; L33-F35 PolarHBondContact O-N 3.31Å; F35-Q37 VanDerWaalsContact C-N 3.29Å; F35-Q37 PolarHBondContact O-N 2.99Å; F35-S38 WeakPolarHBondContact O-CB 3.26Å; F35-S38 PolarHBondContact O-N 3.43Å; F35-R39 PolarHBondContact O-N 3.41Å; F35-R39 VanDerWaalsContact O-N 3.12Å; F35-R39 PolarHBondContact O-NH1 2.91Å
36H91.9Very high88.7Confident102 Ų10262.4 Ų62.447%0.47232%0.319SS..Hα-helixtrans-62.6-36.1178.8174.553.4000112.6S38 R39 T40 E78H36-S38 VanDerWaalsContact C-N 3.34Å; H36-S38 PolarHBondContact O-N 2.97Å; H36-R39 PolarHBondContact O-N 2.99Å; H36-T40 PolarHBondContact CE1-OG1 2.93Å; H36-T40 WeakPolarHBondContact O-CB 3.33Å; H36-T40 PolarHBondContact O-N 2.86Å; H36-T40 PolarHBondContact O-OG1 3.4Å; H36-E78 IonicContact CE1-OE2 3.71Å; H36-E78 VanDerWaalsContact ND1-CD 3.29Å; H36-E78 IonicContact ND1-OE1 3.68Å; H36-E78 PolarHBondContact ND1-OE1 3.35Å; H36-E78 IonicContact ND1-OE2 3.55Å; H36-E78 PolarHBondContact ND1-OE2 3.02Å
37Q92.7Very high89Confident128 Ų12861.1 Ų61.160%0.59831%0.309SS*.Hα-helixtrans-60.5-45.3176.4-6485.1-9.400111F35 T40 I41F35-Q37 VanDerWaalsContact C-N 3.29Å; F35-Q37 PolarHBondContact O-N 2.99Å; Q37-T40 WeakPolarHBondContact O-CB 3.45Å; Q37-T40 PolarHBondContact O-N 3.43Å; Q37-I41 WeakPolarHBondContact O-CG1 3.5Å; Q37-I41 PolarHBondContact O-N 2.74Å
38S92.1Very high89.4Confident8 Ų860.1 Ų60.16%0.05631%0.309CS..Hα-helixtrans-62.2-45.6177.2-55.50000112.4W32 F35 H36 T40 I41 I42W32-S38 VanDerWaalsContact CE2-OG 3.24Å; W32-S38 WeakPolarHBondContact CH2-O 3.31Å; W32-S38 PolarHBondContact NE1-OG 3.03Å; W32-S38 WeakPolarHBondContact O-CB 3.36Å; W32-S38 PolarHBondContact O-OG 2.68Å; F35-S38 WeakPolarHBondContact O-CB 3.26Å; F35-S38 PolarHBondContact O-N 3.43Å; H36-S38 VanDerWaalsContact C-N 3.34Å; H36-S38 PolarHBondContact O-N 2.97Å; S38-T40 VanDerWaalsContact C-N 3.29Å; S38-T40 PolarHBondContact O-N 3.06Å; S38-I41 PolarHBondContact O-N 3.36Å; S38-I42 PolarHBondContact O-N 3.18Å
39R92.7Very high89.7Confident13 Ų1356 Ų565%0.04929%0.291CS..Hα-helixtrans-60.9-39.1174.8-68.4-167.3-58.9-81.70.6111.8L33 A34 F35 H36 I42 I43 L75 E78L33-R39 HydrophobicContact CD2-CG 4.26Å; L33-R39 WeakPolarHBondContact O-CD 3.48Å; L33-R39 VanDerWaalsContact O-CG 3.26Å; L33-R39 WeakPolarHBondContact O-CG 3.09Å; L33-R39 PolarHBondContact O-NH1 3.08Å; A34-R39 PolarHBondContact O-NH1 3.43Å; F35-R39 PolarHBondContact O-N 3.41Å; F35-R39 VanDerWaalsContact O-N 3.12Å; F35-R39 PolarHBondContact O-NH1 2.91Å; H36-R39 PolarHBondContact O-N 2.99Å; R39-I42 WeakPolarHBondContact O-CG2 3.49Å; R39-I42 PolarHBondContact O-N 2.73Å; R39-I43 VanDerWaalsContact O-CB 3.26Å; R39-I43 WeakPolarHBondContact O-CB 3.08Å; R39-I43 WeakPolarHBondContact O-CD1 3.31Å; R39-I43 WeakPolarHBondContact O-CG1 3.34Å; R39-I43 PolarHBondContact O-N 2.98Å; R39-L75 HydrophobicContact CB-CD1 4.16Å; R39-L75 HydrophobicContact CG-CD1 4.16Å; R39-E78 WeakPolarHBondContact CB-OE2 3.43Å; R39-E78 IonicContact CZ-OE1 2.66Å; R39-E78 IonicContact NE-OE1 2.68Å; R39-E78 PolarHBondContact NE-OE1 3.3Å; R39-E78 IonicContact NE-OE2 3.61Å; R39-E78 PolarHBondContact NE-OE2 3.47Å; R39-E78 IonicContact NH2-OE1 3.9Å; R39-E78 PolarHBondContact NH2-OE1 3.04Å
40T92.6Very high89.8Confident44 Ų4454.5 Ų54.527%0.2729%0.285SS..Hα-helixtrans-63-47.2176.5-58.50000111.4H36 Q37 S38 I42 I43 E44H36-T40 PolarHBondContact CE1-OG1 2.93Å; H36-T40 WeakPolarHBondContact O-CB 3.33Å; H36-T40 PolarHBondContact O-N 2.86Å; H36-T40 PolarHBondContact O-OG1 3.4Å; Q37-T40 WeakPolarHBondContact O-CB 3.45Å; Q37-T40 PolarHBondContact O-N 3.43Å; S38-T40 VanDerWaalsContact C-N 3.29Å; S38-T40 PolarHBondContact O-N 3.06Å; T40-I42 PolarHBondContact O-N 3.47Å; T40-I43 PolarHBondContact O-N 2.05Å; T40-E44 WeakPolarHBondContact O-CG 3.35Å; T40-E44 PolarHBondContact O-N 2.77Å
41I93.2Very high89.9Confident101 Ų10156.5 Ų56.552%0.51830%0.296SS..Hα-helixtrans-59.2-48.2178.9-68.3164.2000110.9Q37 S38 E44 S45Q37-I41 WeakPolarHBondContact O-CG1 3.5Å; Q37-I41 PolarHBondContact O-N 2.74Å; S38-I41 PolarHBondContact O-N 3.36Å; I41-E44 PolarHBondContact O-N 3.07Å; I41-S45 WeakPolarHBondContact O-CB 3.26Å; I41-S45 PolarHBondContact O-N 3.46Å
42I91.2Very high90.1Very high27 Ų2756.2 Ų56.214%0.13830%0.301CS..Hα-helixtrans-69.2-37.6-178.1-156.6178.3000111.6F23 F29 W32 L33 S38 R39 T40 E44 S45 M46 L75F23-I42 HydrophobicContact CE2-CD1 4.18Å; F23-I42 HydrophobicContact CZ-CD1 4.12Å; F29-I42 HydrophobicContact CE2-CD1 3.97Å; F29-I42 HydrophobicContact CZ-CD1 3.88Å; W32-I42 HydrophobicContact CH2-CB 4.27Å; W32-I42 HydrophobicContact CZ3-CB 4.23Å; W32-I42 HydrophobicContact CZ3-CD1 4.38Å; L33-I42 HydrophobicContact CD2-CG2 4.24Å; S38-I42 PolarHBondContact O-N 3.18Å; R39-I42 WeakPolarHBondContact O-CG2 3.49Å; R39-I42 PolarHBondContact O-N 2.73Å; T40-I42 PolarHBondContact O-N 3.47Å; I42-E44 PolarHBondContact O-N 3.38Å; I42-S45 PolarHBondContact O-N 3.28Å; I42-M46 HydrophobicContact CD1-CE 3.65Å; I42-M46 HydrophobicContact CG1-CE 3.61Å; I42-M46 HydrophobicContact CG2-CE 4.32Å; I42-M46 WeakPolarHBondContact O-CG 3.47Å; I42-M46 PolarHBondContact O-N 3.5Å; I42-L75 HydrophobicContact CG2-CD1 4.05Å
43I91.4Very high90.1Very high7 Ų753.5 Ų53.54%0.03629%0.294CS..Hα-helixtrans-59.2-47.8174.6-74169.8000110.7R39 T40 S45 M46 I47 L75 E78 L79R39-I43 VanDerWaalsContact O-CB 3.26Å; R39-I43 WeakPolarHBondContact O-CB 3.08Å; R39-I43 WeakPolarHBondContact O-CD1 3.31Å; R39-I43 WeakPolarHBondContact O-CG1 3.34Å; R39-I43 PolarHBondContact O-N 2.98Å; T40-I43 PolarHBondContact O-N 2.05Å; I43-S45 VanDerWaalsContact C-N 3.33Å; I43-S45 PolarHBondContact O-N 3.08Å; I43-M46 PolarHBondContact O-N 2.99Å; I43-I47 HydrophobicContact CG2-CD1 3.67Å; I43-I47 HydrophobicContact CG2-CG1 4.48Å; I43-I47 VanDerWaalsContact O-CG1 3.28Å; I43-I47 WeakPolarHBondContact O-CG1 3.49Å; I43-I47 PolarHBondContact O-N 2.72Å; I43-L75 HydrophobicContact CD1-CD1 3.99Å; I43-L75 HydrophobicContact CG1-CD1 3.83Å; I43-E78 HydrophobicContact CD1-CB 3.58Å; I43-L79 HydrophobicContact CB-CD2 4.28Å; I43-L79 HydrophobicContact CD1-CD2 4.39Å; I43-L79 HydrophobicContact CD1-CG 4.08Å; I43-L79 HydrophobicContact CG1-CD2 3.74Å; I43-L79 HydrophobicContact CG1-CG 3.83Å; I43-L79 HydrophobicContact CG2-CD2 3.91Å
44E90.3Very high90Very high100 Ų10058.3 Ų58.347%0.46732%0.319SS..Hα-helixtrans-64.4-39.3179.3-72179.7169.100112T40 I41 I42 I47 S48 K82T40-E44 WeakPolarHBondContact O-CG 3.35Å; T40-E44 PolarHBondContact O-N 2.77Å; I41-E44 PolarHBondContact O-N 3.07Å; I42-E44 PolarHBondContact O-N 3.38Å; E44-I47 PolarHBondContact O-N 2.82Å; E44-S48 WeakPolarHBondContact O-CB 3.44Å; E44-S48 PolarHBondContact O-N 2.98Å; E44-K82 IonicContact OE1-NZ 3.61Å
45S91.8Very high90.2Very high77 Ų7757 Ų5754%0.53831%0.305SS..Hα-helixtrans-62.6-42.8173.9-172.70000112.2I41 I42 I43 L49I41-S45 WeakPolarHBondContact O-CB 3.26Å; I41-S45 PolarHBondContact O-N 3.46Å; I42-S45 PolarHBondContact O-N 3.28Å; I43-S45 VanDerWaalsContact C-N 3.33Å; I43-S45 PolarHBondContact O-N 3.08Å; S45-L49 WeakPolarHBondContact O-CB 3.25Å; S45-L49 PolarHBondContact O-N 3.2Å; S45-L49 VanDerWaalsContact O-N 3.1Å
46M91.3Very high90.1Very high7 Ų753.1 Ų53.13%0.03429%0.29CS..Hα-helixtrans-63.3-46.2177.8-71.7165.9-179.600111.7I21 F23 I42 I43 L49 V50 L58 L60I21-M46 HydrophobicContact CD1-CB 4.36Å; I21-M46 HydrophobicContact CD1-CG 3.78Å; F23-M46 HydrophobicContact CE2-CE 3.43Å; F23-M46 VanDerWaalsContact CE2-CE 3.43Å; F23-M46 HydrophobicContact CZ-CE 3.52Å; I42-M46 HydrophobicContact CD1-CE 3.65Å; I42-M46 HydrophobicContact CG1-CE 3.61Å; I42-M46 HydrophobicContact CG2-CE 4.32Å; I42-M46 WeakPolarHBondContact O-CG 3.47Å; I42-M46 PolarHBondContact O-N 3.5Å; I43-M46 PolarHBondContact O-N 2.99Å; M46-L49 PolarHBondContact O-N 3.35Å; M46-V50 WeakPolarHBondContact O-CG2 3.46Å; M46-V50 PolarHBondContact O-N 3.06Å; M46-L58 HydrophobicContact CB-CD2 3.91Å; M46-L58 HydrophobicContact SD-CD2 4.47Å; M46-L60 HydrophobicContact CE-CD2 3.74Å; M46-L60 HydrophobicContact SD-CD2 4.03Å
47I86.7Confident90Very high20 Ų2048.3 Ų48.310%0.10327%0.268CS..Hα-helixtrans-61.3-47178.7-66.5163.5000110.2I43 E44 L49 V50 D51 K82 M93I43-I47 HydrophobicContact CG2-CD1 3.67Å; I43-I47 HydrophobicContact CG2-CG1 4.48Å; I43-I47 VanDerWaalsContact O-CG1 3.28Å; I43-I47 WeakPolarHBondContact O-CG1 3.49Å; I43-I47 PolarHBondContact O-N 2.72Å; E44-I47 PolarHBondContact O-N 2.82Å; I47-L49 PolarHBondContact O-N 3.45Å; I47-V50 PolarHBondContact O-N 3.43Å; I47-D51 WeakPolarHBondContact O-CB 3.4Å; I47-D51 PolarHBondContact O-N 2.95Å; I47-K82 HydrophobicContact CD1-CG 4.07Å; I47-M93 HydrophobicContact CD1-CE 3.87Å; I47-M93 HydrophobicContact CD1-SD 3.46Å; I47-M93 WeakPolarHBondContact CD1-SD 3.48Å; I47-M93 HydrophobicContact CG1-SD 3.65Å; I47-M93 HydrophobicContact CG2-SD 4.34Å
48S88.8Confident90Very high76 Ų7642.2 Ų42.253%0.53124%0.239SC..Hα-helixtrans-56.4-40.3176.8-175.90000112.3E44 S52E44-S48 WeakPolarHBondContact O-CB 3.44Å; E44-S48 PolarHBondContact O-N 2.98Å; S48-S52 WeakPolarHBondContact O-CB 3.37Å; S48-S52 PolarHBondContact O-N 3.09Å; S48-S52 PolarHBondContact O-OG 3.14Å
49L88.4Confident90.1Very high72 Ų7243 Ų4338%0.37724%0.243SC..Hα-helixtrans-71-39.6180-167.463.9000112.7L19 S45 M46 I47 S52 N53L19-L49 HydrophobicContact CD2-CB 4.28Å; L19-L49 HydrophobicContact CD2-CD2 3.46Å; L19-L49 VanDerWaalsContact CD2-CD2 3.46Å; L19-L49 HydrophobicContact CD2-CG 3.56Å; S45-L49 WeakPolarHBondContact O-CB 3.25Å; S45-L49 PolarHBondContact O-N 3.2Å; S45-L49 VanDerWaalsContact O-N 3.1Å; M46-L49 PolarHBondContact O-N 3.35Å; I47-L49 PolarHBondContact O-N 3.45Å; L49-S52 PolarHBondContact O-OG 3.17Å; L49-N53 WeakPolarHBondContact O-CB 3.35Å; L49-N53 PolarHBondContact O-N 2.88Å; L49-N53 PolarHBondContact O-ND2 2.92Å
50V88.5Confident90.1Very high0 Ų042.5 Ų42.50%024%0.241CC..Hα-helixtrans-62.2-51.9174.41690000110.4M46 I47 N53 N54 F55 L58 P94M46-V50 WeakPolarHBondContact O-CG2 3.46Å; M46-V50 PolarHBondContact O-N 3.06Å; I47-V50 PolarHBondContact O-N 3.43Å; V50-N53 PolarHBondContact O-N 3.3Å; V50-N54 PolarHBondContact O-N 3.04Å; V50-F55 HydrophobicContact CG1-CB 4Å; V50-F55 VanDerWaalsContact CG1-O 3.23Å; V50-F55 WeakPolarHBondContact CG1-O 3.47Å; V50-F55 PolarHBondContact O-N 3.45Å; V50-L58 HydrophobicContact CG2-CB 4.12Å; V50-L58 HydrophobicContact CG2-CD2 4.28Å; V50-P94 HydrophobicContact CG1-CB 4Å; V50-P94 HydrophobicContact CG1-CG 4.35Å
51D84.2Confident90Very high43 Ų4342.6 Ų42.623%0.2324%0.24CC..Hα-helixtrans-62.7-49.7-176.2-732.9000111.7I47 N53 N54 K91I47-D51 WeakPolarHBondContact O-CB 3.4Å; I47-D51 PolarHBondContact O-N 2.95Å; D51-N53 PolarHBondContact O-N 3.44Å; D51-N54 PolarHBondContact O-N 3.36Å; D51-K91 VanDerWaalsContact OD2-CB 3.31Å; D51-K91 WeakPolarHBondContact OD2-CB 3.01Å
52S87.3Confident89.9Confident83 Ų8338.4 Ų38.458%0.5822%0.218SC*.Hα-helixtrans-63-26.7-177.355.80000113.1S48 L49S48-S52 WeakPolarHBondContact O-CB 3.37Å; S48-S52 PolarHBondContact O-N 3.09Å; S48-S52 PolarHBondContact O-OG 3.14Å; L49-S52 PolarHBondContact O-OG 3.17Å
53N87.6Confident89.4Confident42 Ų4237.3 Ų37.323%0.22521%0.213CC..Hα-helixtrans-102.5-0.3-179-69.6-79.7000113.7Y2 N6 L49 V50 D51 F55Y2-N53 HydrophobicContact CD2-CB 4.44Å; N6-N53 PolarHBondContact ND2-O 3.14Å; L49-N53 WeakPolarHBondContact O-CB 3.35Å; L49-N53 PolarHBondContact O-N 2.88Å; L49-N53 PolarHBondContact O-ND2 2.92Å; V50-N53 PolarHBondContact O-N 3.3Å; D51-N53 PolarHBondContact O-N 3.44Å; N53-F55 HydrophobicContact CB-CD2 3.56Å; N53-F55 HydrophobicContact CB-CE2 3.62Å
54N88.3Confident88.7Confident102 Ų10240.2 Ų40.255%0.54523%0.229SC..THydrogen-bonded Turntrans61.139.6-178.8-168.438.6000113.2N6 K9 V50 D51N6-N54 PolarHBondContact ND2-O 2.88Å; N6-N54 PolarHBondContact OD1-O 3.23Å; K9-N54 PolarHBondContact NZ-O 3.45Å; V50-N54 PolarHBondContact O-N 3.04Å; D51-N54 PolarHBondContact O-N 3.36Å
55F90.8Very high87.8Confident19 Ų1938.1 Ų38.18%0.08323%0.225CC..  trans-82150167.8-74.9-76.5000110.3Y2 L19 V50 N53 G57Y2-F55 HydrophobicContact CD1-CE2 4.15Å; Y2-F55 AromaticContact CD1-CZ 3.72Å; Y2-F55 HydrophobicContact CD1-CZ 3.72Å; Y2-F55 HydrophobicContact CD2-CE2 4.11Å; Y2-F55 HydrophobicContact CD2-CZ 4.5Å; Y2-F55 HydrophobicContact CE1-CZ 4.34Å; Y2-F55 AromaticContact CG-CE2 3.82Å; Y2-F55 HydrophobicContact CG-CE2 3.82Å; Y2-F55 AromaticContact CG-CZ 3.81Å; Y2-F55 HydrophobicContact CG-CZ 3.81Å; L19-F55 HydrophobicContact CB-CB 4.47Å; L19-F55 HydrophobicContact CB-CD1 4.31Å; L19-F55 HydrophobicContact CB-CD2 3.95Å; L19-F55 HydrophobicContact CB-CE2 4.21Å; L19-F55 HydrophobicContact CB-CG 4Å; L19-F55 HydrophobicContact CD1-CD2 4.41Å; L19-F55 HydrophobicContact CD1-CE2 3.87Å; L19-F55 HydrophobicContact CD1-CZ 4.05Å; L19-F55 HydrophobicContact CD2-CD2 4.39Å; L19-F55 HydrophobicContact CD2-CE2 4.5Å; L19-F55 HydrophobicContact CG-CD2 4.49Å; L19-F55 HydrophobicContact CG-CE2 4.43Å; V50-F55 HydrophobicContact CG1-CB 4Å; V50-F55 VanDerWaalsContact CG1-O 3.23Å; V50-F55 WeakPolarHBondContact CG1-O 3.47Å; V50-F55 PolarHBondContact O-N 3.45Å; N53-F55 HydrophobicContact CB-CD2 3.56Å; N53-F55 HydrophobicContact CB-CE2 3.62Å; F55-G57 VanDerWaalsContact C-N 3.29Å
56D89.2Confident86.7Confident45 Ų4535 Ų3524%0.24120%0.202CC..SBendtrans-87.8-2.4178.6-52-58.4000112.1K9 V16 T17 P94 A95 W96K9-D56 WeakPolarHBondContact CD-OD2 3.37Å; K9-D56 IonicContact NZ-OD1 3.25Å; K9-D56 PolarHBondContact NZ-OD1 3.3Å; K9-D56 IonicContact NZ-OD2 2.63Å; K9-D56 PolarHBondContact NZ-OD2 3.41Å; V16-D56 WeakPolarHBondContact CA-OD2 3.36Å; V16-D56 HydrophobicContact CG1-CB 3.73Å; T17-D56 PolarHBondContact N-OD2 3.38Å; T17-D56 PolarHBondContact O-N 2.67Å; T17-D56 PolarHBondContact OG1-OD2 3.43Å; T17-D56 VanDerWaalsContact OG1-OD2 3.13Å; D56-P94 CarbonylContact O-C 3.52Å; D56-A95 WeakPolarHBondContact O-CA 3.38Å; D56-A95 WeakPolarHBondContact O-CB 3.19Å; D56-A95 PolarHBondContact O-N 2.94Å; D56-W96 PolarHBondContact O-N 3.39Å; D56-W96 VanDerWaalsContact O-N 3.14Å
57G90.5Very high85.5Confident0 Ų037.3 Ų37.30%022%0.222CC..EExtended strand (participates in β ladder)trans174.6-177.4-170.300000114.5L18 L19 F55 W96L18-G57 WeakPolarHBondContact CA-O 3.3Å; L18-G57 VanDerWaalsContact CD2-CA 3.43Å; L19-G57 PolarHBondContact N-O 2.98Å; F55-G57 VanDerWaalsContact C-N 3.29Å; G57-W96 CarbonylContact C-O 3.02Å; G57-W96 WeakPolarHBondContact CA-O 3.15Å
58L93Very high85Confident0 Ų038 Ų380%023%0.227CC..EExtended strand (participates in β ladder)trans-138.4155.917765.981.1000112.8L19 M46 V50 L60 P94 W96 I97 G98L19-L58 CarbonylContact O-C 3.39Å; L19-L58 WeakPolarHBondContact O-CA 3.32Å; L19-L58 WeakPolarHBondContact O-CB 2.97Å; M46-L58 HydrophobicContact CB-CD2 3.91Å; M46-L58 HydrophobicContact SD-CD2 4.47Å; V50-L58 HydrophobicContact CG2-CB 4.12Å; V50-L58 HydrophobicContact CG2-CD2 4.28Å; L58-L60 HydrophobicContact CD1-CD2 3.64Å; L58-L60 HydrophobicContact CD1-CG 3.77Å; L58-P94 HydrophobicContact CD2-CG 4.5Å; L58-W96 PolarHBondContact N-O 3.26Å; L58-I97 HydrophobicContact CD1-CG2 3.85Å; L58-I97 HydrophobicContact CG-CG2 4.5Å; L58-G98 PolarHBondContact O-N 3.06Å
59I93.6Very high84.6Confident25 Ų2536.8 Ų36.813%0.12822%0.218CC..EExtended strand (participates in β ladder)trans-124.2127.6170.1-62.6172.9000107.5L18 L19 A20 I21 G98 A100 F122 I124L18-I59 HydrophobicContact CB-CD1 4.22Å; L18-I59 HydrophobicContact CB-CG1 4.2Å; L18-I59 HydrophobicContact CD1-CD1 3.88Å; L18-I59 HydrophobicContact CD1-CG1 3.98Å; L19-I59 PolarHBondContact O-N 3.22Å; A20-I59 CarbonylContact C-O 3.48Å; A20-I59 VanDerWaalsContact CA-O 3.31Å; A20-I59 WeakPolarHBondContact CA-O 3.34Å; A20-I59 HydrophobicContact CB-CB 4.42Å; I21-I59 PolarHBondContact N-O 3.37Å; I59-G98 WeakPolarHBondContact CA-O 3.47Å; I59-A100 HydrophobicContact CG2-CB 4.04Å; I59-F122 HydrophobicContact CD1-CE2 3.98Å; I59-F122 HydrophobicContact CD1-CZ 3.96Å; I59-F122 HydrophobicContact CG1-CE2 3.91Å; I59-F122 HydrophobicContact CG1-CZ 3.73Å; I59-I124 HydrophobicContact CD1-CD1 4.01Å
60L92.7Very high84.4Confident3 Ų337 Ų372%0.01623%0.226CC..EExtended strand (participates in β ladder)trans-95.6115.8172.5-49.3177.3000109.7I21 F23 M46 L58 L62 L75 L79 G98 I99 A100I21-L60 HydrophobicContact CB-CD2 4.19Å; I21-L60 HydrophobicContact CD1-CD2 4.46Å; F23-L60 HydrophobicContact CE2-CD2 4.03Å; F23-L60 HydrophobicContact CZ-CD1 4.15Å; F23-L60 HydrophobicContact CZ-CD2 4.3Å; M46-L60 HydrophobicContact CE-CD2 3.74Å; M46-L60 HydrophobicContact SD-CD2 4.03Å; L58-L60 HydrophobicContact CD1-CD2 3.64Å; L58-L60 HydrophobicContact CD1-CG 3.77Å; L60-L62 HydrophobicContact CB-CD2 4.08Å; L60-L62 PolarHBondContact O-N 2.79Å; L60-L75 HydrophobicContact CD1-CD2 4.1Å; L60-L79 HydrophobicContact CD1-CD1 4.04Å; L60-G98 PolarHBondContact N-O 3.28Å; L60-I99 HydrophobicContact CB-CG2 4.18Å; L60-I99 CarbonylContact O-C 3.59Å; L60-I99 VanDerWaalsContact O-CA 3.27Å; L60-I99 WeakPolarHBondContact O-CA 3.47Å; L60-A100 PolarHBondContact O-N 2.65Å
61N91.7Very high84.4Confident46 Ų4637.2 Ų37.225%0.24623%0.227CC..EExtended strand (participates in β ladder)trans-83.6110173.8-67.3-18.5000108.3I21 D22 F23 A100I21-N61 PolarHBondContact O-N 3.39Å; D22-N61 WeakPolarHBondContact OD1-CB 3.19Å; D22-N61 PolarHBondContact OD1-ND2 2.96Å; F23-N61 PolarHBondContact N-O 2.88Å; F23-N61 VanDerWaalsContact N-O 3.08Å; N61-A100 WeakPolarHBondContact OD1-CB 3.46Å
62L89.5Confident84.7Confident12 Ų1235.2 Ų35.26%0.06322%0.216CC..  trans-89.4140-172.6-57.3-177.4000111.2F23 L60 Y72 I99 A100 F113 M116F23-L62 HydrophobicContact CD1-CD2 4.11Å; F23-L62 HydrophobicContact CE1-CD2 4.47Å; L60-L62 HydrophobicContact CB-CD2 4.08Å; L60-L62 PolarHBondContact O-N 2.79Å; L62-Y72 HydrophobicContact CD1-CD1 4.39Å; L62-Y72 HydrophobicContact CD2-CD1 3.88Å; L62-Y72 HydrophobicContact CD2-CE1 3.7Å; L62-I99 HydrophobicContact CD1-CB 4.14Å; L62-I99 HydrophobicContact CD1-CD1 4.02Å; L62-I99 HydrophobicContact CD1-CG2 4.2Å; L62-I99 HydrophobicContact CG-CB 4.41Å; L62-A100 PolarHBondContact N-O 3.36Å; L62-F113 HydrophobicContact CD1-CE1 3.73Å; L62-M116 HydrophobicContact CD1-CE 4.15Å
63P82.5Confident85Confident4 Ų432 Ų323%0.02619%0.192CC..  trans-69.8162.9177.926.7-30.7000111.5F23 H25 H30 S65F23-P63 HydrophobicContact CB-CG 4.47Å; H25-P63 WeakPolarHBondContact ND1-CB 3.42Å; H30-P63 VanDerWaalsContact CE1-CG 3.47Å; H30-P63 WeakPolarHBondContact CE1-CG 3.19Å; P63-S65 PolarHBondContact O-N 2.79Å
64N76.4Confident85.3Confident69 Ų6931.9 Ų31.937%0.36919%0.192SC..SBendtrans-76.4-1.4179.2-54.2-40.2000113.7K102 H105N64-K102 VanDerWaalsContact OD1-CD 3.25Å; N64-K102 WeakPolarHBondContact OD1-CD 3.41Å; N64-K102 WeakPolarHBondContact OD1-CG 3.32Å; N64-H105 PolarHBondContact O-CE1 2.95Å; N64-H105 PolarHBondContact O-ND1 3.03Å
65S70.8Confident85.5Confident56 Ų5627.2 Ų27.239%0.39217%0.167SC..  trans-125.4127.1175.9-175.70000108H30 P63H30-S65 PolarHBondContact NE2-O 3.44Å; P63-S65 PolarHBondContact O-N 2.79Å
66I68.6Low85.6Confident12 Ų1226.4 Ų26.46%0.06216%0.164CC..  trans-132.495.4178.2-69.5174000106.5T68 P69 Y72 H105 M112 F113I66-T68 VanDerWaalsContact C-N 3.26Å; I66-T68 PolarHBondContact O-N 3.28Å; I66-P69 HydrophobicContact CG2-CG 4.26Å; I66-Y72 HydrophobicContact CB-CD2 4.31Å; I66-Y72 HydrophobicContact CB-CE2 3.97Å; I66-Y72 HydrophobicContact CD1-CD2 4.28Å; I66-Y72 HydrophobicContact CD1-CE2 4.21Å; I66-Y72 HydrophobicContact CD1-CG 4.49Å; I66-Y72 HydrophobicContact CG1-CD2 4.2Å; I66-Y72 HydrophobicContact CG1-CE2 3.72Å; I66-Y72 HydrophobicContact CG2-CD2 3.3Å; I66-Y72 HydrophobicContact CG2-CE2 3.34Å; I66-Y72 HydrophobicContact CG2-CG 4.34Å; I66-H105 WeakPolarHBondContact CD1-NE2 3.4Å; I66-M112 HydrophobicContact CD1-CE 3.61Å; I66-M112 HydrophobicContact CG2-CE 4.49Å; I66-M112 HydrophobicContact CG2-SD 4.13Å; I66-F113 HydrophobicContact CD1-CZ 4.02Å
67A66.3Low85.8Confident54 Ų5428.5 Ų28.545%0.44617%0.169SC..SBendtrans-61.9-34.9-178.900000112.2H30H30-A67 HydrophobicContact CB-CB 4.11Å
68T75.9Confident85.9Confident35 Ų3529.4 Ų29.422%0.21517%0.173CC..  trans-128.786-177.147.70000112H30 I66 S70 S71H30-T68 PolarHBondContact O-OG1 3.08Å; I66-T68 VanDerWaalsContact C-N 3.26Å; I66-T68 PolarHBondContact O-N 3.28Å; T68-S70 PolarHBondContact O-N 3.2Å; T68-S70 VanDerWaalsContact O-N 3.12Å; T68-S71 VanDerWaalsContact CB-OG 3.24Å; T68-S71 WeakPolarHBondContact CB-OG 3.25Å; T68-S71 VanDerWaalsContact O-CB 3.29Å; T68-S71 WeakPolarHBondContact O-CB 3.42Å; T68-S71 PolarHBondContact O-N 2.62Å; T68-S71 PolarHBondContact O-OG 2.65Å; T68-S71 PolarHBondContact OG1-OG 2.81Å
69P80.6Confident85.8Confident51 Ų5129.5 Ų29.533%0.33117%0.173SC..Hα-helixtrans-50.5-37.4179.4-34.138.8000115.3I66 S71 Y72 V73 M112I66-P69 HydrophobicContact CG2-CG 4.26Å; P69-S71 VanDerWaalsContact C-N 3.29Å; P69-S71 PolarHBondContact O-N 2.76Å; P69-Y72 PolarHBondContact O-N 2.89Å; P69-V73 PolarHBondContact O-N 2.97Å; P69-M112 WeakPolarHBondContact CA-SD 3.42Å; P69-M112 HydrophobicContact CB-CB 4.44Å; P69-M112 HydrophobicContact CB-CG 4.11Å; P69-M112 HydrophobicContact CB-SD 3.42Å; P69-M112 WeakPolarHBondContact CB-SD 3.36Å; P69-M112 HydrophobicContact CG-SD 4.26Å; P69-M112 VanDerWaalsContact O-SD 3.41Å
70S84.9Confident85.5Confident77 Ų7728.9 Ų28.954%0.53817%0.17SC..Hα-helixtrans-63.6-32178.651.70000113.1T68 Y72 V73 N74T68-S70 PolarHBondContact O-N 3.2Å; T68-S70 VanDerWaalsContact O-N 3.12Å; S70-Y72 VanDerWaalsContact C-N 3.33Å; S70-Y72 PolarHBondContact O-N 3.41Å; S70-V73 PolarHBondContact O-N 2.98Å; S70-N74 WeakPolarHBondContact O-CB 3.36Å; S70-N74 VanDerWaalsContact O-CG 3.25Å; S70-N74 PolarHBondContact O-N 2.78Å; S70-N74 PolarHBondContact O-ND2 3.04Å
71S88.9Confident85.3Confident3 Ų332 Ų322%0.02119%0.185CC..Hα-helixtrans-63.2-39.5179.1-54.70000111.7A34 T68 P69 N74 L75A34-S71 WeakPolarHBondContact CA-OG 3.4Å; T68-S71 VanDerWaalsContact CB-OG 3.24Å; T68-S71 WeakPolarHBondContact CB-OG 3.25Å; T68-S71 VanDerWaalsContact O-CB 3.29Å; T68-S71 WeakPolarHBondContact O-CB 3.42Å; T68-S71 PolarHBondContact O-N 2.62Å; T68-S71 PolarHBondContact O-OG 2.65Å; T68-S71 PolarHBondContact OG1-OG 2.81Å; P69-S71 VanDerWaalsContact C-N 3.29Å; P69-S71 PolarHBondContact O-N 2.76Å; S71-N74 PolarHBondContact O-N 3.18Å; S71-L75 WeakPolarHBondContact O-CB 3.49Å; S71-L75 PolarHBondContact O-N 3.34Å
72Y90.6Very high85Confident1 Ų133.2 Ų33.20%0.00419%0.188CC..Hα-helixtrans-72.8-38.5178.2-72.9-87.8000112.7F23 H30 L33 L62 I66 P69 S70 N74 L75 A76F23-Y72 AromaticContact CD1-CE1 3.78Å; F23-Y72 HydrophobicContact CD1-CE1 3.78Å; F23-Y72 HydrophobicContact CE1-CE1 4.03Å; H30-Y72 PolarHBondContact CE1-OH 3.41Å; H30-Y72 AromaticContact ND1-CZ 3.92Å; H30-Y72 PolarHBondContact ND1-OH 3.12Å; L33-Y72 HydrophobicContact CD1-CE1 4.25Å; L62-Y72 HydrophobicContact CD1-CD1 4.39Å; L62-Y72 HydrophobicContact CD2-CD1 3.88Å; L62-Y72 HydrophobicContact CD2-CE1 3.7Å; I66-Y72 HydrophobicContact CB-CD2 4.31Å; I66-Y72 HydrophobicContact CB-CE2 3.97Å; I66-Y72 HydrophobicContact CD1-CD2 4.28Å; I66-Y72 HydrophobicContact CD1-CE2 4.21Å; I66-Y72 HydrophobicContact CD1-CG 4.49Å; I66-Y72 HydrophobicContact CG1-CD2 4.2Å; I66-Y72 HydrophobicContact CG1-CE2 3.72Å; I66-Y72 HydrophobicContact CG2-CD2 3.3Å; I66-Y72 HydrophobicContact CG2-CE2 3.34Å; I66-Y72 HydrophobicContact CG2-CG 4.34Å; P69-Y72 PolarHBondContact O-N 2.89Å; S70-Y72 VanDerWaalsContact C-N 3.33Å; S70-Y72 PolarHBondContact O-N 3.41Å; Y72-N74 VanDerWaalsContact C-N 3.33Å; Y72-L75 PolarHBondContact O-N 3.43Å; Y72-A76 PolarHBondContact O-N 3.26Å
73V92.8Very high84.5Confident15 Ų1535.2 Ų35.29%0.09120%0.195CC..Hα-helixtrans-63.1-42.9172.3179.40000110.5P69 S70 A76 R77 M112 Q115 M116 Y119P69-V73 PolarHBondContact O-N 2.97Å; S70-V73 PolarHBondContact O-N 2.98Å; V73-A76 PolarHBondContact O-N 3.05Å; V73-R77 WeakPolarHBondContact O-CB 3.43Å; V73-R77 PolarHBondContact O-N 3.24Å; V73-M112 HydrophobicContact CG2-CG 3.71Å; V73-Q115 HydrophobicContact CG1-CB 4.32Å; V73-Q115 HydrophobicContact CG2-CB 4.32Å; V73-M116 HydrophobicContact CG2-CG 3.97Å; V73-Y119 HydrophobicContact CG1-CE2 4.05Å
74N93.5Very high84.2Confident41 Ų4142.5 Ų42.522%0.21923%0.226CC..Hα-helixtrans-63.5-41.1175.2-73.5-31.8000112.1S70 S71 Y72 R77 E78S70-N74 WeakPolarHBondContact O-CB 3.36Å; S70-N74 VanDerWaalsContact O-CG 3.25Å; S70-N74 PolarHBondContact O-N 2.78Å; S70-N74 PolarHBondContact O-ND2 3.04Å; S71-N74 PolarHBondContact O-N 3.18Å; Y72-N74 VanDerWaalsContact C-N 3.33Å; N74-R77 PolarHBondContact O-N 2.85Å; N74-R77 PolarHBondContact OD1-NH2 3.03Å; N74-E78 WeakPolarHBondContact O-CB 3.35Å; N74-E78 VanDerWaalsContact O-CG 3.29Å; N74-E78 WeakPolarHBondContact O-CG 3.45Å; N74-E78 PolarHBondContact O-N 3.28Å
75L92.7Very high84Confident3 Ų347 Ų472%0.01624%0.238CC..Hα-helixtrans-60.6-48.4174.9-177.668.1000111.8F23 R39 I42 I43 L60 S71 Y72 R77 E78 L79F23-L75 HydrophobicContact CE1-CD2 3.68Å; F23-L75 HydrophobicContact CZ-CD2 3.78Å; R39-L75 HydrophobicContact CB-CD1 4.16Å; R39-L75 HydrophobicContact CG-CD1 4.16Å; I42-L75 HydrophobicContact CG2-CD1 4.05Å; I43-L75 HydrophobicContact CD1-CD1 3.99Å; I43-L75 HydrophobicContact CG1-CD1 3.83Å; L60-L75 HydrophobicContact CD1-CD2 4.1Å; S71-L75 WeakPolarHBondContact O-CB 3.49Å; S71-L75 PolarHBondContact O-N 3.34Å; Y72-L75 PolarHBondContact O-N 3.43Å; L75-R77 VanDerWaalsContact C-N 3.32Å; L75-R77 PolarHBondContact O-N 3.11Å; L75-E78 PolarHBondContact O-N 3.48Å; L75-L79 HydrophobicContact CG-CD1 4.23Å; L75-L79 WeakPolarHBondContact O-CB 3.43Å; L75-L79 WeakPolarHBondContact O-CG 3.47Å; L75-L79 PolarHBondContact O-N 3.27Å
76A92.7Very high83.4Confident3 Ų353 Ų533%0.02526%0.257CS..Hα-helixtrans-61.6-40.6177.300000112Y72 V73 N80 M116 L120Y72-A76 PolarHBondContact O-N 3.26Å; V73-A76 PolarHBondContact O-N 3.05Å; A76-N80 WeakPolarHBondContact O-CB 3.31Å; A76-N80 PolarHBondContact O-N 3.1Å; A76-M116 HydrophobicContact CB-CB 4.37Å; A76-M116 HydrophobicContact CB-CE 4.03Å; A76-M116 HydrophobicContact CB-CG 4.24Å; A76-L120 HydrophobicContact CB-CD1 4.5Å; A76-L120 HydrophobicContact CB-CD2 4.02Å; A76-L120 HydrophobicContact CB-CG 4.14Å
77R93.6Very high82.7Confident89 Ų8958 Ų5834%0.33628%0.283SS..Hα-helixtrans-63.6-50.1175.7177.9173.760.9128.8-4.6111.9V73 N74 L75 L79 N80 E81 Y119V73-R77 WeakPolarHBondContact O-CB 3.43Å; V73-R77 PolarHBondContact O-N 3.24Å; N74-R77 PolarHBondContact O-N 2.85Å; N74-R77 PolarHBondContact OD1-NH2 3.03Å; L75-R77 VanDerWaalsContact C-N 3.32Å; L75-R77 PolarHBondContact O-N 3.11Å; R77-L79 PolarHBondContact O-N 2.82Å; R77-N80 PolarHBondContact O-N 3.08Å; R77-N80 VanDerWaalsContact O-N 3.16Å; R77-E81 HydrophobicContact CG-CG 4.39Å; R77-E81 WeakPolarHBondContact CG-OE1 3.36Å; R77-E81 WeakPolarHBondContact O-CG 3.41Å; R77-E81 PolarHBondContact O-N 3.18Å; R77-Y119 HydrophobicContact CB-CD1 4.05Å; R77-Y119 HydrophobicContact CB-CD2 4.24Å; R77-Y119 HydrophobicContact CB-CE1 4Å; R77-Y119 HydrophobicContact CB-CE2 4.2Å; R77-Y119 HydrophobicContact CB-CG 4.17Å; R77-Y119 HydrophobicContact CG-CD1 4.2Å; R77-Y119 HydrophobicContact CG-CE1 3.83Å
78E93.3Very high82Confident18 Ų1863.8 Ų63.88%0.08431%0.307CS..Hα-helixtrans-64.4-39.1-179-73.8172.2-14600111.8H36 R39 I43 N74 L75 E81 K82H36-E78 IonicContact CE1-OE2 3.71Å; H36-E78 VanDerWaalsContact ND1-CD 3.29Å; H36-E78 IonicContact ND1-OE1 3.68Å; H36-E78 PolarHBondContact ND1-OE1 3.35Å; H36-E78 IonicContact ND1-OE2 3.55Å; H36-E78 PolarHBondContact ND1-OE2 3.02Å; R39-E78 WeakPolarHBondContact CB-OE2 3.43Å; R39-E78 IonicContact CZ-OE1 2.66Å; R39-E78 IonicContact NE-OE1 2.68Å; R39-E78 PolarHBondContact NE-OE1 3.3Å; R39-E78 IonicContact NE-OE2 3.61Å; R39-E78 PolarHBondContact NE-OE2 3.47Å; R39-E78 IonicContact NH2-OE1 3.9Å; R39-E78 PolarHBondContact NH2-OE1 3.04Å; I43-E78 HydrophobicContact CD1-CB 3.58Å; N74-E78 WeakPolarHBondContact O-CB 3.35Å; N74-E78 VanDerWaalsContact O-CG 3.29Å; N74-E78 WeakPolarHBondContact O-CG 3.45Å; N74-E78 PolarHBondContact O-N 3.28Å; L75-E78 PolarHBondContact O-N 3.48Å; E78-E81 PolarHBondContact O-N 2.67Å; E78-K82 WeakPolarHBondContact O-CB 3.37Å; E78-K82 PolarHBondContact O-N 2.9Å
79L89.8Confident80.9Confident2 Ų271.3 Ų71.31%0.0134%0.34CS..Hα-helixtrans-58.1-47.4170.3-82.9168.4000111.8I43 L60 L75 R77 K82 R83 I97I43-L79 HydrophobicContact CB-CD2 4.28Å; I43-L79 HydrophobicContact CD1-CD2 4.39Å; I43-L79 HydrophobicContact CD1-CG 4.08Å; I43-L79 HydrophobicContact CG1-CD2 3.74Å; I43-L79 HydrophobicContact CG1-CG 3.83Å; I43-L79 HydrophobicContact CG2-CD2 3.91Å; L60-L79 HydrophobicContact CD1-CD1 4.04Å; L75-L79 HydrophobicContact CG-CD1 4.23Å; L75-L79 WeakPolarHBondContact O-CB 3.43Å; L75-L79 WeakPolarHBondContact O-CG 3.47Å; L75-L79 PolarHBondContact O-N 3.27Å; R77-L79 PolarHBondContact O-N 2.82Å; L79-K82 PolarHBondContact O-N 2.93Å; L79-R83 WeakPolarHBondContact O-CB 3.46Å; L79-R83 PolarHBondContact O-N 2.96Å; L79-I97 HydrophobicContact CB-CD1 4.14Å; L79-I97 HydrophobicContact CD1-CG2 4.26Å
80N89Confident79.6Confident13 Ų1374.5 Ų74.57%0.0735%0.35CS..Hα-helixtrans-68-37.3179.3-173.645.6000112.8A76 R77 R83 K84 Y119A76-N80 WeakPolarHBondContact O-CB 3.31Å; A76-N80 PolarHBondContact O-N 3.1Å; R77-N80 PolarHBondContact O-N 3.08Å; R77-N80 VanDerWaalsContact O-N 3.16Å; N80-R83 PolarHBondContact O-N 2.88Å; N80-R83 PolarHBondContact OD1-NE 2.96Å; N80-R83 PolarHBondContact OD1-NH2 3.4Å; N80-K84 WeakPolarHBondContact O-CG 3.34Å; N80-K84 PolarHBondContact O-N 3.25Å; N80-Y119 WeakPolarHBondContact CB-O 3.37Å; N80-Y119 PolarHBondContact OD1-O 3.46Å
81E88.5Confident77.9Confident69 Ų6979.1 Ų79.132%0.32236%0.361SS..Hα-helixtrans-64.4-45.4174.7-76.4177.6-168.300111.4R77 E78 R83 K84 R85R77-E81 HydrophobicContact CG-CG 4.39Å; R77-E81 WeakPolarHBondContact CG-OE1 3.36Å; R77-E81 WeakPolarHBondContact O-CG 3.41Å; R77-E81 PolarHBondContact O-N 3.18Å; E78-E81 PolarHBondContact O-N 2.67Å; E81-R83 VanDerWaalsContact C-N 3.27Å; E81-R83 PolarHBondContact O-N 3.47Å; E81-K84 PolarHBondContact O-N 3.06Å; E81-R85 PolarHBondContact O-N 2.79Å
82K84.4Confident76.2Confident70 Ų7082.8 Ų82.830%0.30439%0.391SS..Hα-helixtrans-59.5-42.7174.9-159.685.7-179.7-167.90110.1E44 I47 E78 L79 K84 R85 M93E44-K82 IonicContact OE1-NZ 3.61Å; I47-K82 HydrophobicContact CD1-CG 4.07Å; E78-K82 WeakPolarHBondContact O-CB 3.37Å; E78-K82 PolarHBondContact O-N 2.9Å; L79-K82 PolarHBondContact O-N 2.93Å; K82-K84 PolarHBondContact O-N 2.87Å; K82-R85 PolarHBondContact O-N 2.85Å; K82-M93 HydrophobicContact CB-CE 4.07Å; K82-M93 HydrophobicContact CG-CE 3.5Å; K82-M93 HydrophobicContact CG-SD 4.49Å; K82-M93 WeakPolarHBondContact O-CE 3.45Å
83R79.9Confident74.7Confident55 Ų5584.9 Ų84.921%0.20840%0.402CS..Hα-helixtrans-61.2-36.6175.9-177.7179.166.5159.4-3.8114.7L79 N80 E81 M93 I97 D121L79-R83 WeakPolarHBondContact O-CB 3.46Å; L79-R83 PolarHBondContact O-N 2.96Å; N80-R83 PolarHBondContact O-N 2.88Å; N80-R83 PolarHBondContact OD1-NE 2.96Å; N80-R83 PolarHBondContact OD1-NH2 3.4Å; E81-R83 VanDerWaalsContact C-N 3.27Å; E81-R83 PolarHBondContact O-N 3.47Å; R83-M93 HydrophobicContact CB-CG 3.86Å; R83-M93 HydrophobicContact CG-CG 3.96Å; R83-I97 HydrophobicContact CB-CD1 4.42Å; R83-D121 IonicContact CZ-OD1 3.89Å; R83-D121 IonicContact CZ-OD2 3.75Å; R83-D121 IonicContact NH1-OD1 2.83Å; R83-D121 PolarHBondContact NH1-OD1 3.39Å; R83-D121 IonicContact NH1-OD2 3Å; R83-D121 PolarHBondContact NH1-OD2 3.04Å; R83-D121 IonicContact NH2-OD1 2.9Å
84K76Confident73.1Confident157 Ų15784.2 Ų84.268%0.68340%0.398SS*.Hα-helixtrans-74.4-27.2179.4-76.2-179.1179.3-176.50113.7N80 E81 K82 K86N80-K84 WeakPolarHBondContact O-CG 3.34Å; N80-K84 PolarHBondContact O-N 3.25Å; E81-K84 PolarHBondContact O-N 3.06Å; K82-K84 PolarHBondContact O-N 2.87Å; K84-K86 PolarHBondContact O-N 2.88Å
85R72.4Confident72.1Confident163 Ų16385.1 Ų85.162%0.61541%0.411SS*.  trans-76.862.5175.9-67.2-176.7-174.21264.8110.1E81 K82 N87E81-R85 PolarHBondContact O-N 2.79Å; K82-R85 PolarHBondContact O-N 2.85Å; R85-N87 PolarHBondContact O-N 3.26Å
86K56.8Low71.9Confident181 Ų18189.1 Ų89.179%0.78743%0.426SS*.  trans-82.592.2176.2-157.3-177.8-175.1-1750108.3K84K84-K86 PolarHBondContact O-N 2.88Å
87N53.7Low71.9Confident117 Ų11789.1 Ų89.163%0.62643%0.425SS*.  trans-80.7142.2164-98-11.1000108.8R85 Q89 E90R85-N87 PolarHBondContact O-N 3.26Å; N87-Q89 PolarHBondContact O-N 2.99Å; N87-E90 PolarHBondContact O-N 3.33Å
88D51.6Low71.9Confident176 Ų17684.9 Ų84.994%0.94141%0.409SS*.THydrogen-bonded Turntrans-56.6-8.3-179.5-72.7-33000114.6
89Q52.4Low72Confident194 Ų19484 Ų8491%0.90741%0.406SS*.THydrogen-bonded Turntrans-109-8-179.8-63.3-160.6-15.200115N87N87-Q89 PolarHBondContact O-N 2.99Å
90E53.2Low72.2Confident118 Ų11884.4 Ų84.455%0.55141%0.409SS*.SBendtrans-92.7140.6-178-80.6-174152.400112.5N87N87-E90 PolarHBondContact O-N 3.33Å
91K50.7Low72.4Confident173 Ų17383.9 Ų83.975%0.75241%0.406SS*.  trans-49.6145.7179.1-75178.4176.5175.90111.2D51 M93D51-K91 VanDerWaalsContact OD2-CB 3.31Å; D51-K91 WeakPolarHBondContact OD2-CB 3.01Å; K91-M93 PolarHBondContact O-N 3.29Å
92A53Low72.5Confident81 Ų8183.2 Ų83.267%0.66940%0.402SS*.  trans-58.797.7-173.600000111.7
93M58.7Low72.8Confident44 Ų4480.2 Ų80.222%0.21739%0.389CS..  trans-52.2145.1172.9-169.77556.700111.1I47 K82 R83 K91 A95I47-M93 HydrophobicContact CD1-CE 3.87Å; I47-M93 HydrophobicContact CD1-SD 3.46Å; I47-M93 WeakPolarHBondContact CD1-SD 3.48Å; I47-M93 HydrophobicContact CG1-SD 3.65Å; I47-M93 HydrophobicContact CG2-SD 4.34Å; K82-M93 HydrophobicContact CB-CE 4.07Å; K82-M93 HydrophobicContact CG-CE 3.5Å; K82-M93 HydrophobicContact CG-SD 4.49Å; K82-M93 WeakPolarHBondContact O-CE 3.45Å; R83-M93 HydrophobicContact CB-CG 3.86Å; R83-M93 HydrophobicContact CG-CG 3.96Å; K91-M93 PolarHBondContact O-N 3.29Å; M93-A95 PolarHBondContact O-N 2.89Å
94P58.5Low73.2Confident2 Ų281.7 Ų81.71%0.01339%0.394CS..  trans-42.2116.4167.110.4-27.3000111.4V50 D56 L58 W96V50-P94 HydrophobicContact CG1-CB 4Å; V50-P94 HydrophobicContact CG1-CG 4.35Å; D56-P94 CarbonylContact O-C 3.52Å; L58-P94 HydrophobicContact CD2-CG 4.5Å; P94-W96 PolarHBondContact O-N 3.3Å
95A72.6Confident73.8Confident60 Ų6074.7 Ų74.750%0.49636%0.364SS..SBendtrans-63.9-28.117700000111.2D56 M93D56-A95 WeakPolarHBondContact O-CA 3.38Å; D56-A95 WeakPolarHBondContact O-CB 3.19Å; D56-A95 PolarHBondContact O-N 2.94Å; M93-A95 PolarHBondContact O-N 2.89Å
96W88.8Confident74.7Confident87 Ų8766.9 Ų66.933%0.3334%0.335SS..EExtended strand (participates in β ladder)trans-125.6130.5-177.2-60.892000112.4V16 L18 D56 G57 L58 P94 D121 F122 R256V16-W96 HydrophobicContact CG1-CG 4.1Å; L18-W96 HydrophobicContact CD2-CB 3.6Å; L18-W96 HydrophobicContact CD2-CG 4.22Å; D56-W96 PolarHBondContact O-N 3.39Å; D56-W96 VanDerWaalsContact O-N 3.14Å; G57-W96 CarbonylContact C-O 3.02Å; G57-W96 WeakPolarHBondContact CA-O 3.15Å; L58-W96 PolarHBondContact N-O 3.26Å; P94-W96 PolarHBondContact O-N 3.3Å; W96-D121 WeakPolarHBondContact CA-OD2 3.47Å; W96-D121 HydrophobicContact CE3-CB 3.72Å; W96-D121 HydrophobicContact CZ3-CB 4.13Å; W96-F122 HydrophobicContact CB-CE1 4.46Å; W96-R256 VanDerWaalsContact CZ3-CZ 3.45Å
97I92.1Very high76.3Confident2 Ų261.3 Ų61.31%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-129.1117.2176.1-48.9-177.8000107.5L58 L79 R83 L120 D121L58-I97 HydrophobicContact CD1-CG2 3.85Å; L58-I97 HydrophobicContact CG-CG2 4.5Å; L79-I97 HydrophobicContact CB-CD1 4.14Å; L79-I97 HydrophobicContact CD1-CG2 4.26Å; R83-I97 HydrophobicContact CB-CD1 4.42Å; I97-L120 HydrophobicContact CB-CD2 4.3Å; I97-L120 HydrophobicContact CG2-CD2 3.57Å; I97-D121 PolarHBondContact N-OD2 2.79Å; I97-D121 PolarHBondContact O-N 3.22Å
98G94.2Very high77.9Confident0 Ų062.7 Ų62.70%031%0.313CS..EExtended strand (participates in β ladder)trans-129.6171.417600000112.8L58 I59 L60 F122L58-G98 PolarHBondContact O-N 3.06Å; I59-G98 WeakPolarHBondContact CA-O 3.47Å; L60-G98 PolarHBondContact N-O 3.28Å; G98-F122 WeakPolarHBondContact CA-O 3.14Å
99I95.3Very high79.8Confident1 Ų156.8 Ų56.81%0.00528%0.28CS..EExtended strand (participates in β ladder)trans-126.5154.2168.261.5175.7000109.5L60 L62 F113 M116 L120 F122 V123 I124L60-I99 HydrophobicContact CB-CG2 4.18Å; L60-I99 CarbonylContact O-C 3.59Å; L60-I99 VanDerWaalsContact O-CA 3.27Å; L60-I99 WeakPolarHBondContact O-CA 3.47Å; L62-I99 HydrophobicContact CD1-CB 4.14Å; L62-I99 HydrophobicContact CD1-CD1 4.02Å; L62-I99 HydrophobicContact CD1-CG2 4.2Å; L62-I99 HydrophobicContact CG-CB 4.41Å; I99-F113 HydrophobicContact CD1-CD1 3.73Å; I99-F113 HydrophobicContact CD1-CE1 4.15Å; I99-M116 HydrophobicContact CD1-CB 4.43Å; I99-M116 HydrophobicContact CD1-CE 3.99Å; I99-M116 HydrophobicContact CD1-SD 4.22Å; I99-M116 HydrophobicContact CG2-CE 4.06Å; I99-L120 HydrophobicContact CB-CD1 4.16Å; I99-L120 HydrophobicContact CD1-CD1 3.8Å; I99-L120 HydrophobicContact CG1-CD1 3.73Å; I99-L120 HydrophobicContact CG2-CD1 3.49Å; I99-L120 VanDerWaalsContact CG2-CD1 3.49Å; I99-L120 HydrophobicContact CG2-CD2 4.5Å; I99-F122 PolarHBondContact N-O 3.21Å; I99-V123 HydrophobicContact CD1-CB 4.47Å; I99-V123 HydrophobicContact CD1-CG1 4Å; I99-V123 HydrophobicContact CD1-CG2 3.94Å; I99-V123 HydrophobicContact CG1-CB 4.14Å; I99-V123 HydrophobicContact CG1-CG1 3.92Å; I99-V123 HydrophobicContact CG1-CG2 3.88Å; I99-I124 PolarHBondContact O-N 3.06Å
100A94.5Very high81.7Confident9 Ų947.9 Ų47.97%0.07424%0.239CC..EExtended strand (participates in β ladder)trans-121.6133165.800000109.5I59 L60 N61 L62 I124I59-A100 HydrophobicContact CG2-CB 4.04Å; L60-A100 PolarHBondContact O-N 2.65Å; N61-A100 WeakPolarHBondContact OD1-CB 3.46Å; L62-A100 PolarHBondContact N-O 3.36Å; A100-I124 WeakPolarHBondContact CA-O 3.41Å; A100-I124 HydrophobicContact CB-CB 3.98Å; A100-I124 HydrophobicContact CB-CD1 4.48Å; A100-I124 HydrophobicContact CB-CG2 4.49Å
101V92.6Very high83.6Confident2 Ų248.7 Ų48.71%0.01224%0.241CC..EExtended strand (participates in β ladder)trans-142.3141.9-177.555.10000109.5R103 H105 A106 F113 V123 I124 L125 S126V101-R103 PolarHBondContact O-N 2.6Å; V101-H105 HydrophobicContact CG2-CB 4.12Å; V101-A106 HydrophobicContact CG1-CB 3.75Å; V101-A106 HydrophobicContact CG2-CB 4.19Å; V101-F113 HydrophobicContact CB-CE1 4.19Å; V101-F113 HydrophobicContact CB-CZ 4.2Å; V101-F113 HydrophobicContact CG1-CD1 4.33Å; V101-F113 HydrophobicContact CG1-CE1 4.21Å; V101-F113 HydrophobicContact CG1-CZ 4.42Å; V101-F113 HydrophobicContact CG2-CE1 4.05Å; V101-F113 HydrophobicContact CG2-CE2 3.98Å; V101-F113 HydrophobicContact CG2-CZ 3.55Å; V101-V123 HydrophobicContact CG1-CG1 4.15Å; V101-I124 PolarHBondContact N-O 3.01Å; V101-L125 HydrophobicContact CG1-CD2 4.34Å; V101-S126 PolarHBondContact O-N 2.89Å
102K90.5Very high85.6Confident56 Ų5641 Ų4124%0.24321%0.208CC..EExtended strand (participates in β ladder)trans-61.1135.7174.3-65.4-160.6-173.7-173.80110.8N64 R104 H105 A106 E129N64-K102 VanDerWaalsContact OD1-CD 3.25Å; N64-K102 WeakPolarHBondContact OD1-CD 3.41Å; N64-K102 WeakPolarHBondContact OD1-CG 3.32Å; K102-R104 VanDerWaalsContact C-N 3.33Å; K102-R104 PolarHBondContact O-N 3.09Å; K102-H105 PolarHBondContact O-N 2.79Å; K102-A106 PolarHBondContact O-N 3.38Å; K102-E129 PolarHBondContact NZ-O 3.41Å
103R91.3Very high87.6Confident6 Ų637.1 Ų37.12%0.02318%0.176CC..Hα-helixtrans-51.7-45.4-173.6-179.8175.759.1-123.2-10.1113.5V101 H105 A106 K107 S126 D128 D140 D152 A157V101-R103 PolarHBondContact O-N 2.6Å; R103-H105 PolarHBondContact O-N 3.23Å; R103-A106 WeakPolarHBondContact O-CB 3.28Å; R103-A106 PolarHBondContact O-N 3.12Å; R103-K107 PolarHBondContact O-N 3.23Å; R103-K107 VanDerWaalsContact O-N 3.07Å; R103-S126 PolarHBondContact N-O 3.39Å; R103-D128 IonicContact CZ-OD2 3.32Å; R103-D128 PolarHBondContact N-OD1 3.16Å; R103-D128 IonicContact NE-OD2 2.92Å; R103-D128 PolarHBondContact NE-OD2 3.45Å; R103-D128 IonicContact NH2-OD2 3.95Å; R103-D128 PolarHBondContact NH2-OD2 3.12Å; R103-D140 IonicContact NH1-OD1 3.44Å; R103-D140 PolarHBondContact NH1-OD1 3.24Å; R103-D152 WeakPolarHBondContact CD-O 3.48Å; R103-D152 PolarHBondContact NE-O 2.94Å; R103-A157 HydrophobicContact CG-CB 3.48Å; R103-A157 VanDerWaalsContact CG-CB 3.48Å
104R87.7Confident89.3Confident86 Ų8635.1 Ų35.133%0.32517%0.166SC..Hα-helixtrans-60.5-44.8177.4-75175-163.2-162.19.9112.9K102 A106 K107 Q108 D128 D152K102-R104 VanDerWaalsContact C-N 3.33Å; K102-R104 PolarHBondContact O-N 3.09Å; R104-A106 VanDerWaalsContact C-N 3.33Å; R104-K107 PolarHBondContact O-N 3.37Å; R104-Q108 PolarHBondContact O-N 2.85Å; R104-D128 WeakPolarHBondContact CG-OD2 3.21Å; R104-D128 PolarHBondContact N-OD1 3.01Å; R104-D128 IonicContact NE-OD2 3.41Å; R104-D152 HydrophobicContact CG-CB 3.8Å; R104-D152 IonicContact CZ-OD2 3.08Å; R104-D152 IonicContact NE-OD2 2.95Å; R104-D152 PolarHBondContact NE-OD2 3.02Å; R104-D152 IonicContact NH2-OD2 2.68Å; R104-D152 PolarHBondContact NH2-OD2 3.28Å
105H88.3Confident91Very high10 Ų1039.1 Ų39.15%0.04619%0.185CC..Hα-helixtrans-67.9-37.8-179.9-168.864.3000111.3N64 I66 V101 K102 R103 K107 Q108 H109 F113N64-H105 PolarHBondContact O-CE1 2.95Å; N64-H105 PolarHBondContact O-ND1 3.03Å; I66-H105 WeakPolarHBondContact CD1-NE2 3.4Å; V101-H105 HydrophobicContact CG2-CB 4.12Å; K102-H105 PolarHBondContact O-N 2.79Å; R103-H105 PolarHBondContact O-N 3.23Å; H105-K107 VanDerWaalsContact C-N 3.29Å; H105-K107 PolarHBondContact O-N 3.47Å; H105-Q108 PolarHBondContact O-N 3.17Å; H105-H109 AromaticContact CE1-CD2 3.2Å; H105-H109 PolarHBondContact CE1-CD2 2.9Å; H105-H109 AromaticContact CE1-NE2 3.39Å; H105-H109 PolarHBondContact CE1-NE2 3.41Å; H105-H109 AromaticContact ND1-CD2 3.54Å; H105-H109 AromaticContact ND1-NE2 3.85Å; H105-H109 AromaticContact NE2-CD2 3.72Å; H105-H109 PolarHBondContact O-N 3.17Å; H105-H109 VanDerWaalsContact O-N 3.1Å; H105-F113 AromaticContact CD2-CZ 3.85Å
106A91.2Very high92.1Very high0 Ų036.4 Ų36.40%016%0.162CC..Hα-helixtrans-58-42173.700000112.1V101 K102 R103 R104 H109 A110 F113 L125 L161V101-A106 HydrophobicContact CG1-CB 3.75Å; V101-A106 HydrophobicContact CG2-CB 4.19Å; K102-A106 PolarHBondContact O-N 3.38Å; R103-A106 WeakPolarHBondContact O-CB 3.28Å; R103-A106 PolarHBondContact O-N 3.12Å; R104-A106 VanDerWaalsContact C-N 3.33Å; A106-H109 CarbonylContact O-C 3.54Å; A106-A110 WeakPolarHBondContact O-CA 3.49Å; A106-A110 PolarHBondContact O-N 3.45Å; A106-A110 VanDerWaalsContact O-N 3.08Å; A106-F113 HydrophobicContact CB-CD2 4.29Å; A106-L125 HydrophobicContact CB-CD2 3.5Å; A106-L125 VanDerWaalsContact CB-CD2 3.5Å; A106-L161 HydrophobicContact CB-CD1 4.07Å
107K90.5Very high92.3Very high63 Ų6332.3 Ų32.327%0.27415%0.146SC..Hα-helixtrans-67.6-44175.6-174.6174.4174.1176.80112.4R103 R104 H105 H109 A110 D151 S156 A157 T160R103-K107 PolarHBondContact O-N 3.23Å; R103-K107 VanDerWaalsContact O-N 3.07Å; R104-K107 PolarHBondContact O-N 3.37Å; H105-K107 VanDerWaalsContact C-N 3.29Å; H105-K107 PolarHBondContact O-N 3.47Å; K107-H109 VanDerWaalsContact C-N 3.29Å; K107-H109 PolarHBondContact O-N 3.3Å; K107-A110 WeakPolarHBondContact O-CB 3.45Å; K107-A110 PolarHBondContact O-N 2.94Å; K107-D151 PolarHBondContact NZ-O 3.49Å; K107-S156 PolarHBondContact NZ-OG 2.95Å; K107-A157 HydrophobicContact CB-CB 4.34Å; K107-T160 HydrophobicContact CG-CG2 4.26Å
108Q89.1Confident92.4Very high147 Ų14740 Ų4069%0.68718%0.175SC*.Hα-helixtrans-60.3-37.4-179.9-175.5179.4-2.600112.8R104 H105R104-Q108 PolarHBondContact O-N 2.85Å; H105-Q108 PolarHBondContact O-N 3.17Å
109H91Very high92.4Very high52 Ų5243.6 Ų43.624%0.24119%0.189CC..THydrogen-bonded Turntrans-114.135.6179.7-57.3-84.5000112.4H105 A106 K107 K111 M112 F113H105-H109 AromaticContact CE1-CD2 3.2Å; H105-H109 PolarHBondContact CE1-CD2 2.9Å; H105-H109 AromaticContact CE1-NE2 3.39Å; H105-H109 PolarHBondContact CE1-NE2 3.41Å; H105-H109 AromaticContact ND1-CD2 3.54Å; H105-H109 AromaticContact ND1-NE2 3.85Å; H105-H109 AromaticContact NE2-CD2 3.72Å; H105-H109 PolarHBondContact O-N 3.17Å; H105-H109 VanDerWaalsContact O-N 3.1Å; A106-H109 CarbonylContact O-C 3.54Å; K107-H109 VanDerWaalsContact C-N 3.29Å; K107-H109 PolarHBondContact O-N 3.3Å; H109-K111 PolarHBondContact O-N 2.91Å; H109-K111 VanDerWaalsContact O-N 3.09Å; H109-M112 HydrophobicContact CB-CB 4.41Å; H109-M112 HydrophobicContact CB-CE 4.06Å; H109-M112 WeakPolarHBondContact O-CB 3.48Å; H109-M112 PolarHBondContact O-N 3.23Å; H109-F113 HydrophobicContact CB-CD2 4.08Å; H109-F113 HydrophobicContact CB-CE2 3.84Å; H109-F113 WeakPolarHBondContact O-CD2 3.4Å; H109-F113 PolarHBondContact O-N 3.41Å
110A92.5Very high92.4Very high6 Ų643.6 Ų43.65%0.0519%0.189CC..Hα-helixtrans-52.6-37.9-171.700000113.9A106 K107 M112 F113 A114 T160 L161 Q164A106-A110 WeakPolarHBondContact O-CA 3.49Å; A106-A110 PolarHBondContact O-N 3.45Å; A106-A110 VanDerWaalsContact O-N 3.08Å; K107-A110 WeakPolarHBondContact O-CB 3.45Å; K107-A110 PolarHBondContact O-N 2.94Å; A110-M112 PolarHBondContact O-N 2.91Å; A110-F113 PolarHBondContact O-N 2.68Å; A110-A114 WeakPolarHBondContact O-CB 3.43Å; A110-A114 PolarHBondContact O-N 2.79Å; A110-T160 HydrophobicContact CB-CG2 3.62Å; A110-L161 HydrophobicContact CB-CG 4.4Å; A110-Q164 HydrophobicContact CB-CB 4.37Å; A110-Q164 HydrophobicContact CB-CG 3.76Å
111K92.9Very high92.3Very high135 Ų13544.5 Ų44.559%0.58719%0.193SC*.Hα-helixtrans-59.3-42.5175.8-173.9175.6-180177.40113.1H109 Q115H109-K111 PolarHBondContact O-N 2.91Å; H109-K111 VanDerWaalsContact O-N 3.09Å; K111-Q115 VanDerWaalsContact O-CG 3.3Å; K111-Q115 WeakPolarHBondContact O-CG 3.43Å; K111-Q115 PolarHBondContact O-N 2.88Å; K111-Q115 VanDerWaalsContact O-N 3.12Å
112M93Very high92.4Very high12 Ų1245 Ų456%0.05920%0.195CC..Hα-helixtrans-67.4-48.6178.5178.3-169.171.700110.6I66 P69 V73 H109 A110 A114 Q115 M116I66-M112 HydrophobicContact CD1-CE 3.61Å; I66-M112 HydrophobicContact CG2-CE 4.49Å; I66-M112 HydrophobicContact CG2-SD 4.13Å; P69-M112 WeakPolarHBondContact CA-SD 3.42Å; P69-M112 HydrophobicContact CB-CB 4.44Å; P69-M112 HydrophobicContact CB-CG 4.11Å; P69-M112 HydrophobicContact CB-SD 3.42Å; P69-M112 WeakPolarHBondContact CB-SD 3.36Å; P69-M112 HydrophobicContact CG-SD 4.26Å; P69-M112 VanDerWaalsContact O-SD 3.41Å; V73-M112 HydrophobicContact CG2-CG 3.71Å; H109-M112 HydrophobicContact CB-CB 4.41Å; H109-M112 HydrophobicContact CB-CE 4.06Å; H109-M112 WeakPolarHBondContact O-CB 3.48Å; H109-M112 PolarHBondContact O-N 3.23Å; A110-M112 PolarHBondContact O-N 2.91Å; M112-A114 VanDerWaalsContact C-N 3.34Å; M112-A114 PolarHBondContact O-N 3.23Å; M112-Q115 WeakPolarHBondContact O-CB 3.44Å; M112-Q115 PolarHBondContact O-N 2.77Å; M112-Q115 VanDerWaalsContact O-N 3.17Å; M112-M116 HydrophobicContact CG-SD 4.31Å; M112-M116 WeakPolarHBondContact O-CG 3.36Å; M112-M116 PolarHBondContact O-N 3.15Å
113F94.3Very high92.7Very high0 Ų042.3 Ų42.30%018%0.183CC..Hα-helixtrans-67.4-34.4-179.3-68.1-61.8000112.8L62 I66 I99 V101 H105 A106 H109 A110 M116 A117 L161L62-F113 HydrophobicContact CD1-CE1 3.73Å; I66-F113 HydrophobicContact CD1-CZ 4.02Å; I99-F113 HydrophobicContact CD1-CD1 3.73Å; I99-F113 HydrophobicContact CD1-CE1 4.15Å; V101-F113 HydrophobicContact CB-CE1 4.19Å; V101-F113 HydrophobicContact CB-CZ 4.2Å; V101-F113 HydrophobicContact CG1-CD1 4.33Å; V101-F113 HydrophobicContact CG1-CE1 4.21Å; V101-F113 HydrophobicContact CG1-CZ 4.42Å; V101-F113 HydrophobicContact CG2-CE1 4.05Å; V101-F113 HydrophobicContact CG2-CE2 3.98Å; V101-F113 HydrophobicContact CG2-CZ 3.55Å; H105-F113 AromaticContact CD2-CZ 3.85Å; A106-F113 HydrophobicContact CB-CD2 4.29Å; H109-F113 HydrophobicContact CB-CD2 4.08Å; H109-F113 HydrophobicContact CB-CE2 3.84Å; H109-F113 WeakPolarHBondContact O-CD2 3.4Å; H109-F113 PolarHBondContact O-N 3.41Å; A110-F113 PolarHBondContact O-N 2.68Å; F113-M116 HydrophobicContact CD1-SD 4.06Å; F113-M116 HydrophobicContact CE1-SD 4.29Å; F113-M116 PolarHBondContact O-N 3.17Å; F113-A117 WeakPolarHBondContact O-CB 3.33Å; F113-A117 PolarHBondContact O-N 3.26Å; F113-L161 HydrophobicContact CB-CD2 3.77Å
114A94.8Very high92.9Very high1 Ų142.9 Ų42.91%0.00819%0.186CC..Hα-helixtrans-60.9-43.8170.600000111.7A110 M112 A117 W118 Q164 A166A110-A114 WeakPolarHBondContact O-CB 3.43Å; A110-A114 PolarHBondContact O-N 2.79Å; M112-A114 VanDerWaalsContact C-N 3.34Å; M112-A114 PolarHBondContact O-N 3.23Å; A114-A117 WeakPolarHBondContact O-CB 2.84Å; A114-A117 PolarHBondContact O-N 2.79Å; A114-W118 VanDerWaalsContact O-CD1 3.25Å; A114-Q164 HydrophobicContact CB-CB 3.84Å; A114-Q164 WeakPolarHBondContact CB-O 3.46Å; A114-A166 HydrophobicContact CB-CB 3.91Å
115Q94.7Very high93.3Very high87 Ų8738.9 Ų38.941%0.40717%0.171SC..Hα-helixtrans-63.8-43.4173.9-72.3175.56.900112.4V73 K111 M112 A117 W118 Y119V73-Q115 HydrophobicContact CG1-CB 4.32Å; V73-Q115 HydrophobicContact CG2-CB 4.32Å; K111-Q115 VanDerWaalsContact O-CG 3.3Å; K111-Q115 WeakPolarHBondContact O-CG 3.43Å; K111-Q115 PolarHBondContact O-N 2.88Å; K111-Q115 VanDerWaalsContact O-N 3.12Å; M112-Q115 WeakPolarHBondContact O-CB 3.44Å; M112-Q115 PolarHBondContact O-N 2.77Å; M112-Q115 VanDerWaalsContact O-N 3.17Å; Q115-A117 VanDerWaalsContact C-N 3.32Å; Q115-A117 PolarHBondContact O-N 3.15Å; Q115-W118 PolarHBondContact O-N 3.48Å; Q115-Y119 VanDerWaalsContact O-CD2 3.28Å; Q115-Y119 WeakPolarHBondContact O-CD2 3.3Å
116M94.7Very high93.4Very high3 Ų340.1 Ų40.12%0.01518%0.181CC..Hα-helixtrans-61.2-40.5176.1-69179.476.200111.7L62 V73 A76 I99 M112 F113 W118 Y119 L120L62-M116 HydrophobicContact CD1-CE 4.15Å; V73-M116 HydrophobicContact CG2-CG 3.97Å; A76-M116 HydrophobicContact CB-CB 4.37Å; A76-M116 HydrophobicContact CB-CE 4.03Å; A76-M116 HydrophobicContact CB-CG 4.24Å; I99-M116 HydrophobicContact CD1-CB 4.43Å; I99-M116 HydrophobicContact CD1-CE 3.99Å; I99-M116 HydrophobicContact CD1-SD 4.22Å; I99-M116 HydrophobicContact CG2-CE 4.06Å; M112-M116 HydrophobicContact CG-SD 4.31Å; M112-M116 WeakPolarHBondContact O-CG 3.36Å; M112-M116 PolarHBondContact O-N 3.15Å; F113-M116 HydrophobicContact CD1-SD 4.06Å; F113-M116 HydrophobicContact CE1-SD 4.29Å; F113-M116 PolarHBondContact O-N 3.17Å; M116-W118 PolarHBondContact O-N 3.44Å; M116-W118 VanDerWaalsContact O-N 3.11Å; M116-Y119 PolarHBondContact O-N 3.11Å; M116-L120 HydrophobicContact CB-CD1 3.98Å; M116-L120 HydrophobicContact CE-CD1 4.35Å; M116-L120 VanDerWaalsContact O-CG 3.29Å; M116-L120 WeakPolarHBondContact O-CG 3.35Å; M116-L120 PolarHBondContact O-N 3.02Å
117A94.2Very high93.2Very high0 Ų040.8 Ų40.80%019%0.186CC..Hα-helixtrans-55.7-30.5178.800000112.3F113 A114 Q115 Y119 L120 V123 A166 K170F113-A117 WeakPolarHBondContact O-CB 3.33Å; F113-A117 PolarHBondContact O-N 3.26Å; A114-A117 WeakPolarHBondContact O-CB 2.84Å; A114-A117 PolarHBondContact O-N 2.79Å; Q115-A117 VanDerWaalsContact C-N 3.32Å; Q115-A117 PolarHBondContact O-N 3.15Å; A117-Y119 VanDerWaalsContact C-N 3.33Å; A117-Y119 PolarHBondContact O-N 3.13Å; A117-L120 VanDerWaalsContact O-O 3.11Å; A117-V123 HydrophobicContact CB-CG2 3.82Å; A117-A166 HydrophobicContact CB-CB 4.35Å; A117-K170 WeakPolarHBondContact O-CD 3.4Å; A117-K170 WeakPolarHBondContact O-CE 3.28Å; A117-K170 PolarHBondContact O-NZ 3.38Å
118W94Very high92.6Very high163 Ų16337.9 Ų37.962%0.61717%0.173SC*.Hα-helixtrans-66.4-32.4175-77.796.6000113.8A114 Q115 M116 G165 P167 K170A114-W118 VanDerWaalsContact O-CD1 3.25Å; Q115-W118 PolarHBondContact O-N 3.48Å; M116-W118 PolarHBondContact O-N 3.44Å; M116-W118 VanDerWaalsContact O-N 3.11Å; W118-G165 PolarHBondContact NE1-O 3.32Å; W118-P167 HydrophobicContact CD2-CG 4.23Å; W118-P167 HydrophobicContact CH2-CG 4.28Å; W118-P167 HydrophobicContact CZ2-CG 3.95Å; W118-K170 PolarHBondContact O-NZ 3.37Å; W118-K170 VanDerWaalsContact O-NZ 3.16Å
119Y93.6Very high91.7Very high76 Ų7633.4 Ų33.430%0.29815%0.152SC..Hα-helixtrans-88.5-25.7179.8-58.8-67.8000113.5V73 R77 N80 Q115 M116 A117V73-Y119 HydrophobicContact CG1-CE2 4.05Å; R77-Y119 HydrophobicContact CB-CD1 4.05Å; R77-Y119 HydrophobicContact CB-CD2 4.24Å; R77-Y119 HydrophobicContact CB-CE1 4Å; R77-Y119 HydrophobicContact CB-CE2 4.2Å; R77-Y119 HydrophobicContact CB-CG 4.17Å; R77-Y119 HydrophobicContact CG-CD1 4.2Å; R77-Y119 HydrophobicContact CG-CE1 3.83Å; N80-Y119 WeakPolarHBondContact CB-O 3.37Å; N80-Y119 PolarHBondContact OD1-O 3.46Å; Q115-Y119 VanDerWaalsContact O-CD2 3.28Å; Q115-Y119 WeakPolarHBondContact O-CD2 3.3Å; M116-Y119 PolarHBondContact O-N 3.11Å; A117-Y119 VanDerWaalsContact C-N 3.33Å; A117-Y119 PolarHBondContact O-N 3.13Å
120L94.1Very high90.6Very high1 Ų133.1 Ų33.11%0.00515%0.152CC..SBendtrans-94.4166.6-177-58.7170.7000111.8A76 I97 I99 M116 A117 K170A76-L120 HydrophobicContact CB-CD1 4.5Å; A76-L120 HydrophobicContact CB-CD2 4.02Å; A76-L120 HydrophobicContact CB-CG 4.14Å; I97-L120 HydrophobicContact CB-CD2 4.3Å; I97-L120 HydrophobicContact CG2-CD2 3.57Å; I99-L120 HydrophobicContact CB-CD1 4.16Å; I99-L120 HydrophobicContact CD1-CD1 3.8Å; I99-L120 HydrophobicContact CG1-CD1 3.73Å; I99-L120 HydrophobicContact CG2-CD1 3.49Å; I99-L120 VanDerWaalsContact CG2-CD1 3.49Å; I99-L120 HydrophobicContact CG2-CD2 4.5Å; M116-L120 HydrophobicContact CB-CD1 3.98Å; M116-L120 HydrophobicContact CE-CD1 4.35Å; M116-L120 VanDerWaalsContact O-CG 3.29Å; M116-L120 WeakPolarHBondContact O-CG 3.35Å; M116-L120 PolarHBondContact O-N 3.02Å; A117-L120 VanDerWaalsContact O-O 3.11Å; L120-K170 WeakPolarHBondContact O-CE 3.33Å; L120-K170 PolarHBondContact O-NZ 2.8Å
121D92.7Very high89.2Confident29 Ų2938.8 Ų38.816%0.15518%0.181CC..SBendtrans-81.9-35.8171.4-57.3-62.5000111.1R83 W96 I97 K170 R256R83-D121 IonicContact CZ-OD1 3.89Å; R83-D121 IonicContact CZ-OD2 3.75Å; R83-D121 IonicContact NH1-OD1 2.83Å; R83-D121 PolarHBondContact NH1-OD1 3.39Å; R83-D121 IonicContact NH1-OD2 3Å; R83-D121 PolarHBondContact NH1-OD2 3.04Å; R83-D121 IonicContact NH2-OD1 2.9Å; W96-D121 WeakPolarHBondContact CA-OD2 3.47Å; W96-D121 HydrophobicContact CE3-CB 3.72Å; W96-D121 HydrophobicContact CZ3-CB 4.13Å; I97-D121 PolarHBondContact N-OD2 2.79Å; I97-D121 PolarHBondContact O-N 3.22Å; D121-K170 WeakPolarHBondContact O-CG 2.88Å; D121-R256 VanDerWaalsContact CB-NH1 3.33Å; D121-R256 PolarHBondContact O-NH1 3.4Å
122F95.2Very high87.7Confident12 Ų1233.4 Ų33.45%0.05316%0.164CC..EExtended strand (participates in β ladder)trans-155158.417959.1-87.2000114.7L18 I59 W96 G98 I99 I124 K170 V172 R256L18-F122 HydrophobicContact CD1-CE1 3.95Å; L18-F122 HydrophobicContact CD1-CZ 3.53Å; I59-F122 HydrophobicContact CD1-CE2 3.98Å; I59-F122 HydrophobicContact CD1-CZ 3.96Å; I59-F122 HydrophobicContact CG1-CE2 3.91Å; I59-F122 HydrophobicContact CG1-CZ 3.73Å; W96-F122 HydrophobicContact CB-CE1 4.46Å; G98-F122 WeakPolarHBondContact CA-O 3.14Å; I99-F122 PolarHBondContact N-O 3.21Å; F122-I124 HydrophobicContact CD2-CD1 4.24Å; F122-I124 HydrophobicContact CD2-CG1 3.77Å; F122-I124 HydrophobicContact CE2-CD1 3.79Å; F122-I124 HydrophobicContact CE2-CG1 3.84Å; F122-K170 CarbonylContact C-O 3.59Å; F122-K170 WeakPolarHBondContact CA-O 3.37Å; F122-K170 WeakPolarHBondContact CB-O 3.09Å; F122-V172 HydrophobicContact CB-CG2 3.95Å; F122-V172 HydrophobicContact CD2-CG2 4.3Å; F122-V172 HydrophobicContact CG-CG2 4.37Å; F122-R256 VanDerWaalsContact CD1-NH1 3.3Å
123V96.3Very high86.7Confident0 Ų034.2 Ų34.20%017%0.17CC..EExtended strand (participates in β ladder)trans-124115.1173.4178.40000107.9I99 V101 A117 L125 K170 L171 V172I99-V123 HydrophobicContact CD1-CB 4.47Å; I99-V123 HydrophobicContact CD1-CG1 4Å; I99-V123 HydrophobicContact CD1-CG2 3.94Å; I99-V123 HydrophobicContact CG1-CB 4.14Å; I99-V123 HydrophobicContact CG1-CG1 3.92Å; I99-V123 HydrophobicContact CG1-CG2 3.88Å; V101-V123 HydrophobicContact CG1-CG1 4.15Å; A117-V123 HydrophobicContact CB-CG2 3.82Å; V123-L125 HydrophobicContact CG1-CD2 4.27Å; V123-K170 PolarHBondContact N-O 3.31Å; V123-L171 HydrophobicContact CB-CD2 4.18Å; V123-V172 PolarHBondContact O-N 3.09Å
124I96.3Very high86.1Confident17 Ų1739.7 Ų39.79%0.08719%0.191CC..EExtended strand (participates in β ladder)trans-84.7118.6173.9-55.4175.9000108.6I59 I99 A100 V101 F122 S126 V172 A259I59-I124 HydrophobicContact CD1-CD1 4.01Å; I99-I124 PolarHBondContact O-N 3.06Å; A100-I124 WeakPolarHBondContact CA-O 3.41Å; A100-I124 HydrophobicContact CB-CB 3.98Å; A100-I124 HydrophobicContact CB-CD1 4.48Å; A100-I124 HydrophobicContact CB-CG2 4.49Å; V101-I124 PolarHBondContact N-O 3.01Å; F122-I124 HydrophobicContact CD2-CD1 4.24Å; F122-I124 HydrophobicContact CD2-CG1 3.77Å; F122-I124 HydrophobicContact CE2-CD1 3.79Å; F122-I124 HydrophobicContact CE2-CG1 3.84Å; I124-S126 PolarHBondContact O-N 3.16Å; I124-V172 CarbonylContact C-O 3.51Å; I124-V172 WeakPolarHBondContact CA-O 3.41Å; I124-V172 HydrophobicContact CG1-CB 3.99Å; I124-V172 HydrophobicContact CG1-CG1 4.04Å; I124-V172 HydrophobicContact CG2-CG1 4.5Å; I124-A259 HydrophobicContact CD1-CB 4.13Å; I124-A259 HydrophobicContact CG1-CB 4.47Å; I124-A259 HydrophobicContact CG2-CB 3.73Å
125L95.1Very high85.8Confident2 Ų242.5 Ų42.51%0.0121%0.208CC..EExtended strand (participates in β ladder)trans-85.888.6168.7-59-177.5000108.4V101 A106 V123 A157 V158 L161 V172 I173 G174V101-L125 HydrophobicContact CG1-CD2 4.34Å; A106-L125 HydrophobicContact CB-CD2 3.5Å; A106-L125 VanDerWaalsContact CB-CD2 3.5Å; V123-L125 HydrophobicContact CG1-CD2 4.27Å; L125-A157 HydrophobicContact CD1-CB 4.48Å; L125-V158 HydrophobicContact CD1-CG2 3.72Å; L125-L161 HydrophobicContact CD1-CD1 4.16Å; L125-L161 HydrophobicContact CD2-CD1 3.84Å; L125-V172 PolarHBondContact N-O 3.02Å; L125-I173 HydrophobicContact CB-CD1 4.44Å; L125-I173 HydrophobicContact CD1-CD1 4.02Å; L125-G174 VanDerWaalsContact O-CA 3.3Å; L125-G174 WeakPolarHBondContact O-CA 3.31Å; L125-G174 PolarHBondContact O-N 3Å
126S91.8Very high85.4Confident36 Ų3638.4 Ų38.425%0.25219%0.189SC..EExtended strand (participates in β ladder)trans-69.5153.5-176.9-63.10000112.3V101 R103 I124V101-S126 PolarHBondContact O-N 2.89Å; R103-S126 PolarHBondContact N-O 3.39Å; I124-S126 PolarHBondContact O-N 3.16Å
127S86.6Confident85.1Confident14 Ų1439.2 Ų39.210%0.09819%0.192CC..  trans-56.8143.6173-165.50000111.4E129 D140S127-E129 PolarHBondContact O-N 3.28Å; S127-D140 WeakPolarHBondContact CB-OD1 3.45Å; S127-D140 PolarHBondContact OG-OD1 2.94Å
128D77.3Confident84.8Confident2 Ų239.5 Ų39.51%0.01120%0.195CC..  trans-79.868.8175.1-60.8-57.2000109.9R103 R104 M130 Y137R103-D128 IonicContact CZ-OD2 3.32Å; R103-D128 PolarHBondContact N-OD1 3.16Å; R103-D128 IonicContact NE-OD2 2.92Å; R103-D128 PolarHBondContact NE-OD2 3.45Å; R103-D128 IonicContact NH2-OD2 3.95Å; R103-D128 PolarHBondContact NH2-OD2 3.12Å; R104-D128 WeakPolarHBondContact CG-OD2 3.21Å; R104-D128 PolarHBondContact N-OD1 3.01Å; R104-D128 IonicContact NE-OD2 3.41Å; D128-M130 HydrophobicContact CB-CG 4.4Å; D128-M130 PolarHBondContact O-N 2.9Å; D128-Y137 PolarHBondContact O-OH 3.48Å
129E71.7Confident84.6Confident53 Ų5331.8 Ų31.825%0.24817%0.166CC..  trans-71.797.1168.9-59.5-170.6166.600108.3K102 S127 S176 H178 L203K102-E129 PolarHBondContact NZ-O 3.41Å; S127-E129 PolarHBondContact O-N 3.28Å; E129-S176 PolarHBondContact OE1-OG 3.39Å; E129-H178 IonicContact OE1-ND1 3.27Å; E129-H178 PolarHBondContact OE1-ND1 3.16Å; E129-L203 HydrophobicContact CB-CD1 4.5Å; E129-L203 WeakPolarHBondContact OE2-CD1 3.3Å
130M66.8Low84.6Confident47 Ų4728.2 Ų28.223%0.23215%0.152CC..  trans-125.7127.6-177.8-61.2-163.1-54.100111D128 T133 Y137 P201D128-M130 HydrophobicContact CB-CG 4.4Å; D128-M130 PolarHBondContact O-N 2.9Å; M130-T133 HydrophobicContact CB-CG2 3.87Å; M130-T133 HydrophobicContact CE-CG2 3.74Å; M130-Y137 PolarHBondContact N-OH 3.49Å; M130-Y137 PolarHBondContact O-OH 3.38Å; M130-P201 WeakPolarHBondContact O-CD 3.4Å
131N62.3Low84.5Confident125 Ų12528.4 Ų28.467%0.66815%0.153SC*.SBendtrans-85.3152.2168.7-65.42000110.1T133 P201N131-T133 PolarHBondContact O-N 2.77Å; N131-P201 PolarHBondContact OD1-O 2.93Å
132G62.7Low84.5Confident21 Ų2127.1 Ų27.122%0.21615%0.146CC..  trans73.625.317300000114.1Y134 S200G132-Y134 WeakPolarHBondContact O-CD2 3.46Å; G132-Y134 VanDerWaalsContact O-CE2 3.23Å; G132-Y134 WeakPolarHBondContact O-CE2 3.3Å; G132-Y134 PolarHBondContact O-N 2.84Å; G132-S200 PolarHBondContact N-O 2.93Å
133T70.8Confident84.3Confident30 Ų3031.1 Ų31.118%0.18416%0.161CC..  trans-67.3-16173.954.10000112.8M130 N131 T135 Y137M130-T133 HydrophobicContact CB-CG2 3.87Å; M130-T133 HydrophobicContact CE-CG2 3.74Å; N131-T133 PolarHBondContact O-N 2.77Å; T133-T135 PolarHBondContact O-N 2.89Å; T133-T135 PolarHBondContact O-OG1 3.42Å; T133-T135 PolarHBondContact OG1-O 3.44Å; T133-Y137 HydrophobicContact CG2-CD1 4.06Å; T133-Y137 HydrophobicContact CG2-CE1 3.72Å
134Y82.9Confident83.8Confident115 Ų11535.2 Ų35.245%0.45118%0.179SC..SBendtrans56.71.1-172.6-56.3-79.5000115G132 P195 A196 F198G132-Y134 WeakPolarHBondContact O-CD2 3.46Å; G132-Y134 VanDerWaalsContact O-CE2 3.23Å; G132-Y134 WeakPolarHBondContact O-CE2 3.3Å; G132-Y134 PolarHBondContact O-N 2.84Å; Y134-P195 CarbonylContact O-C 3.57Å; Y134-P195 WeakPolarHBondContact O-CA 3.3Å; Y134-A196 PolarHBondContact O-N 2.79Å; Y134-F198 HydrophobicContact CE1-CB 4.41Å; Y134-F198 AromaticContact CE1-CD2 3.71Å; Y134-F198 HydrophobicContact CE1-CD2 3.71Å; Y134-F198 AromaticContact CZ-CD2 3.77Å; Y134-F198 WeakPolarHBondContact OH-CD2 3.47Å; Y134-F198 WeakPolarHBondContact OH-CE2 3.42Å
135T87.2Confident83.1Confident59 Ų5935 Ų3536%0.36218%0.178SC..BIsolated β-bridgetrans-140.7147.2179.961.30000111.1T133 F182 A194T133-T135 PolarHBondContact O-N 2.89Å; T133-T135 PolarHBondContact O-OG1 3.42Å; T133-T135 PolarHBondContact OG1-O 3.44Å; T135-F182 WeakPolarHBondContact O-CE1 3.47Å; T135-A194 CarbonylContact C-O 3.51Å; T135-A194 WeakPolarHBondContact CA-O 3.18Å
136T88Confident82Confident2 Ų239.6 Ų39.61%0.01222%0.216CC..  trans-65.6147.5172.658.50000111.6F182 L184 Q191 G193 A194 W234T136-F182 HydrophobicContact CG2-CB 3.83Å; T136-F182 HydrophobicContact CG2-CD1 4.21Å; T136-F182 HydrophobicContact CG2-CD2 4.4Å; T136-F182 HydrophobicContact CG2-CG 3.91Å; T136-L184 HydrophobicContact CG2-CD2 3.47Å; T136-L184 VanDerWaalsContact CG2-CD2 3.47Å; T136-Q191 PolarHBondContact OG1-O 3.3Å; T136-G193 WeakPolarHBondContact O-CA 3.37Å; T136-G193 PolarHBondContact O-N 2.94Å; T136-G193 PolarHBondContact OG1-N 3.42Å; T136-A194 HydrophobicContact CG2-CB 4.35Å; T136-A194 PolarHBondContact N-O 3.11Å; T136-A194 PolarHBondContact OG1-N 3.48Å; T136-W234 HydrophobicContact CG2-CB 4.08Å; T136-W234 HydrophobicContact CG2-CD2 3.71Å; T136-W234 HydrophobicContact CG2-CE3 3.71Å; T136-W234 HydrophobicContact CG2-CG 3.91Å; T136-W234 HydrophobicContact CG2-CZ3 4.33Å
137Y86.8Confident81Confident19 Ų1944.4 Ų44.48%0.07524%0.239CC..  trans-144.6151.5173.861.6-96.8000111.1D128 M130 T133 H180 F182 P201 W234D128-Y137 PolarHBondContact O-OH 3.48Å; M130-Y137 PolarHBondContact N-OH 3.49Å; M130-Y137 PolarHBondContact O-OH 3.38Å; T133-Y137 HydrophobicContact CG2-CD1 4.06Å; T133-Y137 HydrophobicContact CG2-CE1 3.72Å; Y137-H180 AromaticContact CE2-CE1 3.88Å; Y137-H180 AromaticContact CE2-ND1 3.33Å; Y137-H180 VanDerWaalsContact CE2-ND1 3.33Å; Y137-H180 WeakPolarHBondContact CE2-ND1 3.17Å; Y137-H180 AromaticContact CZ-ND1 3.44Å; Y137-H180 PolarHBondContact OH-CE1 3.31Å; Y137-H180 PolarHBondContact OH-ND1 3.13Å; Y137-F182 AromaticContact CD1-CE1 3.73Å; Y137-F182 HydrophobicContact CD1-CE1 3.73Å; Y137-F182 AromaticContact CD1-CZ 3.45Å; Y137-F182 HydrophobicContact CD1-CZ 3.45Å; Y137-F182 VanDerWaalsContact CD1-CZ 3.45Å; Y137-F182 HydrophobicContact CD2-CZ 4.36Å; Y137-F182 AromaticContact CE1-CE1 3.66Å; Y137-F182 HydrophobicContact CE1-CE1 3.66Å; Y137-F182 AromaticContact CE1-CZ 3.38Å; Y137-F182 HydrophobicContact CE1-CZ 3.38Å; Y137-F182 HydrophobicContact CE2-CZ 4.29Å; Y137-F182 AromaticContact CG-CZ 3.97Å; Y137-F182 HydrophobicContact CG-CZ 3.97Å; Y137-F182 AromaticContact CZ-CZ 3.82Å; Y137-P201 HydrophobicContact CE1-CG 4.33Å; Y137-P201 WeakPolarHBondContact OH-CG 3.28Å; Y137-W234 VanDerWaalsContact O-CH2 3.27Å; Y137-W234 WeakPolarHBondContact O-CH2 3.46Å; Y137-W234 VanDerWaalsContact O-CZ3 3.24Å; Y137-W234 WeakPolarHBondContact O-CZ3 3.5Å
138A89.1Confident80.4Confident7 Ų745.4 Ų45.46%0.05824%0.244CC..  trans-77.4139.4175.700000110.7P141 L145 T224 Y226 S236A138-P141 WeakPolarHBondContact O-CD 3.42Å; A138-L145 HydrophobicContact CB-CD1 3.97Å; A138-L145 HydrophobicContact CB-CD2 4.09Å; A138-T224 HydrophobicContact CB-CG2 3.89Å; A138-Y226 HydrophobicContact CB-CD1 4.35Å; A138-S236 WeakPolarHBondContact CA-OG 3.45Å
139V90.4Very high80.1Confident1 Ų154.1 Ų54.11%0.00628%0.284CS..SBendtrans-76.7126.6177.6175.40000109.9H180 T224 S236 K246V139-H180 HydrophobicContact CG2-CB 3.75Å; V139-H180 VanDerWaalsContact CG2-CD2 3.48Å; V139-H180 WeakPolarHBondContact CG2-CD2 3.37Å; V139-T224 WeakPolarHBondContact O-CG2 3.4Å; V139-S236 WeakPolarHBondContact CG2-O 3.29Å; V139-S236 PolarHBondContact N-OG 3.18Å; V139-K246 PolarHBondContact O-NZ 3.43Å
140D92.2Very high80.1Confident1 Ų156 Ų561%0.00530%0.3CS..SBendtrans49.950.7174.1-58.3-34.5000116R103 S127 I142 I154 L175 S176 N238 K246R103-D140 IonicContact NH1-OD1 3.44Å; R103-D140 PolarHBondContact NH1-OD1 3.24Å; S127-D140 WeakPolarHBondContact CB-OD1 3.45Å; S127-D140 PolarHBondContact OG-OD1 2.94Å; D140-I142 PolarHBondContact O-N 3.35Å; D140-I154 HydrophobicContact CB-CD1 4.09Å; D140-I154 WeakPolarHBondContact O-CD1 3.07Å; D140-L175 HydrophobicContact CB-CD2 3.92Å; D140-L175 WeakPolarHBondContact OD2-CA 2.99Å; D140-S176 PolarHBondContact OD2-N 3.18Å; D140-N238 PolarHBondContact OD2-ND2 2.69Å; D140-K246 HydrophobicContact CB-CD 4.44Å; D140-K246 WeakPolarHBondContact O-CE 3.47Å; D140-K246 PolarHBondContact O-NZ 3.24Å
141P92.6Very high80.7Confident4 Ų456.4 Ų56.43%0.02630%0.303CS..  trans-64.6126.3179.827.4-33.1000110.7A138 R143 L145 S153 I154 S222 T224A138-P141 WeakPolarHBondContact O-CD 3.42Å; P141-R143 WeakPolarHBondContact CB-O 3.26Å; P141-L145 HydrophobicContact CB-CD1 3.73Å; P141-L145 HydrophobicContact CG-CD1 4.42Å; P141-S153 WeakPolarHBondContact O-CA 3.23Å; P141-S153 WeakPolarHBondContact O-CB 3.25Å; P141-I154 WeakPolarHBondContact O-CG1 3.41Å; P141-I154 PolarHBondContact O-N 3.45Å; P141-S222 CarbonylContact C-O 3.49Å; P141-T224 VanDerWaalsContact CA-CG2 3.44Å; P141-T224 HydrophobicContact CB-CG2 3.77Å
142I93Very high81.6Confident3 Ų351.6 Ų51.62%0.01528%0.277CS..SBendtrans-63.2-47.7172.6-63.9-175000109.2D140 S153 I154 D155 S222 V223 K246 W249D140-I142 PolarHBondContact O-N 3.35Å; I142-S153 WeakPolarHBondContact O-CB 3.36Å; I142-I154 PolarHBondContact O-N 2.52Å; I142-D155 WeakPolarHBondContact O-CB 3.34Å; I142-D155 PolarHBondContact O-N 3.45Å; I142-S222 PolarHBondContact N-O 2.88Å; I142-V223 HydrophobicContact CB-CB 4.41Å; I142-V223 HydrophobicContact CB-CG2 4.44Å; I142-V223 HydrophobicContact CD1-CB 3.74Å; I142-V223 HydrophobicContact CD1-CG1 4Å; I142-V223 HydrophobicContact CD1-CG2 3.76Å; I142-V223 HydrophobicContact CG1-CB 3.99Å; I142-V223 HydrophobicContact CG1-CG2 4.32Å; I142-K246 HydrophobicContact CD1-CB 4.34Å; I142-K246 HydrophobicContact CD1-CG 3.68Å; I142-K246 HydrophobicContact CG1-CG 3.76Å; I142-W249 HydrophobicContact CD1-CB 3.75Å; I142-W249 HydrophobicContact CD1-CD2 4.39Å; I142-W249 HydrophobicContact CD1-CG 3.85Å; I142-W249 HydrophobicContact CG2-CD2 3.79Å; I142-W249 HydrophobicContact CG2-CG 3.84Å; I142-W249 HydrophobicContact CG2-CZ2 4.17Å
143R90.6Very high82.9Confident95 Ų9550.8 Ų50.836%0.35827%0.268SS..SBendtrans-120.6156.6178.7-59-172.9177.897.21.1111.1P141 L145 S222P141-R143 WeakPolarHBondContact CB-O 3.26Å; R143-L145 PolarHBondContact O-N 3.1Å; R143-S222 WeakPolarHBondContact O-CB 3.28Å
144K85.1Confident84Confident86 Ų8649.5 Ų49.537%0.37426%0.26SS..  trans-53.8132.4174-168-170.4173.4178.60111.4V148 Q149 D151 S153K144-V148 WeakPolarHBondContact CE-O 3.26Å; K144-V148 PolarHBondContact NZ-O 3.45Å; K144-Q149 PolarHBondContact NZ-O 2.84Å; K144-D151 HydrophobicContact CB-CB 4.4Å; K144-D151 WeakPolarHBondContact CB-OD1 3.38Å; K144-D151 HydrophobicContact CD-CB 3.89Å; K144-D151 HydrophobicContact CG-CB 4.16Å; K144-S153 PolarHBondContact N-OG 3.29Å
145L83Confident84.6Confident14 Ų1445.5 Ų45.57%0.07325%0.247CC..  trans-75.3143169.1-75.481.2000110.1A138 P141 R143 D147 V148 V192 D219 Y226A138-L145 HydrophobicContact CB-CD1 3.97Å; A138-L145 HydrophobicContact CB-CD2 4.09Å; P141-L145 HydrophobicContact CB-CD1 3.73Å; P141-L145 HydrophobicContact CG-CD1 4.42Å; R143-L145 PolarHBondContact O-N 3.1Å; L145-D147 VanDerWaalsContact C-N 3.28Å; L145-D147 PolarHBondContact O-N 2.86Å; L145-V148 HydrophobicContact CB-CG2 3.9Å; L145-V148 PolarHBondContact O-N 2.86Å; L145-V192 HydrophobicContact CD2-CB 4.09Å; L145-V192 HydrophobicContact CD2-CG1 4.14Å; L145-V192 HydrophobicContact CD2-CG2 3.67Å; L145-D219 WeakPolarHBondContact CG-OD2 3.39Å; L145-Y226 HydrophobicContact CD2-CE1 3.93Å
146A71.8Confident84.9Confident97 Ų9743.5 Ų43.580%0.80224%0.235SC*.THydrogen-bonded Turntrans-55.4-39.9-172.200000113.7
147D70.9Confident85.2Confident138 Ų13843.4 Ų43.474%0.73824%0.235SC*.THydrogen-bonded Turntrans-88.3-0.7-173.5-58.1-39.3000114.2L145L145-D147 VanDerWaalsContact C-N 3.28Å; L145-D147 PolarHBondContact O-N 2.86Å
148V73.9Confident85.6Confident34 Ų3442.6 Ų42.621%0.20623%0.231CC..  trans-92.8132.2-179.8-177.80000109.1K144 L145 T150 V192K144-V148 WeakPolarHBondContact CE-O 3.26Å; K144-V148 PolarHBondContact NZ-O 3.45Å; L145-V148 HydrophobicContact CB-CG2 3.9Å; L145-V148 PolarHBondContact O-N 2.86Å; V148-T150 WeakPolarHBondContact CG1-O 3.32Å; V148-V192 HydrophobicContact CG2-CG1 3.79Å
149Q69.5Low86Confident185 Ų18543.7 Ų43.786%0.86424%0.241SC*.SBendtrans-73.1-47.9-179-70.7-166.3-7.800112.7K144K144-Q149 PolarHBondContact NZ-O 2.84Å
150T72.5Confident86.2Confident94 Ų9445.1 Ų45.158%0.57725%0.249SC*.SBendtrans-86.8131.4-177.552.50000111.2V148 D152V148-T150 WeakPolarHBondContact CG1-O 3.32Å; T150-D152 PolarHBondContact O-N 3.47Å
151D80.3Confident86.4Confident55 Ų5545 Ų4529%0.29425%0.249SC..  trans-85.397.7172.9-1701.6000110.6K107 K144 S153 S156K107-D151 PolarHBondContact NZ-O 3.49Å; K144-D151 HydrophobicContact CB-CB 4.4Å; K144-D151 WeakPolarHBondContact CB-OD1 3.38Å; K144-D151 HydrophobicContact CD-CB 3.89Å; K144-D151 HydrophobicContact CG-CB 4.16Å; D151-S153 VanDerWaalsContact OD1-CB 3.31Å; D151-S153 WeakPolarHBondContact OD1-CB 3.44Å; D151-S153 PolarHBondContact OD1-N 2.92Å; D151-S153 PolarHBondContact OD1-OG 2.82Å; D151-S156 VanDerWaalsContact OD1-CB 3.3Å; D151-S156 WeakPolarHBondContact OD1-CB 3.32Å; D151-S156 WeakPolarHBondContact OD2-CB 3.45Å; D151-S156 PolarHBondContact OD2-OG 3.03Å
152D80.1Confident86.6Confident24 Ų2448.1 Ų48.113%0.12827%0.265CS..  trans-10820.5174.667.5-27.1000112.5R103 R104 T150R103-D152 WeakPolarHBondContact CD-O 3.48Å; R103-D152 PolarHBondContact NE-O 2.94Å; R104-D152 HydrophobicContact CG-CB 3.8Å; R104-D152 IonicContact CZ-OD2 3.08Å; R104-D152 IonicContact NE-OD2 2.95Å; R104-D152 PolarHBondContact NE-OD2 3.02Å; R104-D152 IonicContact NH2-OD2 2.68Å; R104-D152 PolarHBondContact NH2-OD2 3.28Å; T150-D152 PolarHBondContact O-N 3.47Å
153S90.6Very high86.7Confident3 Ų355.3 Ų55.32%0.02130%0.298CS..  trans-71.5160-177.567.40000113.8P141 I142 K144 D151 S156 A157P141-S153 WeakPolarHBondContact O-CA 3.23Å; P141-S153 WeakPolarHBondContact O-CB 3.25Å; I142-S153 WeakPolarHBondContact O-CB 3.36Å; K144-S153 PolarHBondContact N-OG 3.29Å; D151-S153 VanDerWaalsContact OD1-CB 3.31Å; D151-S153 WeakPolarHBondContact OD1-CB 3.44Å; D151-S153 PolarHBondContact OD1-N 2.92Å; D151-S153 PolarHBondContact OD1-OG 2.82Å; S153-S156 PolarHBondContact O-N 2.86Å; S153-S156 WeakPolarHBondContact OG-CB 3.32Å; S153-S156 PolarHBondContact OG-N 2.94Å; S153-A157 PolarHBondContact O-N 3.36Å
154I94.2Very high87Confident3 Ų355.4 Ų55.42%0.01530%0.303CS..Hα-helixtrans-58.4-48.4177.7-62.1167.5000110.2D140 P141 I142 S156 A157 V158 I173 L175 W249D140-I154 HydrophobicContact CB-CD1 4.09Å; D140-I154 WeakPolarHBondContact O-CD1 3.07Å; P141-I154 WeakPolarHBondContact O-CG1 3.41Å; P141-I154 PolarHBondContact O-N 3.45Å; I142-I154 PolarHBondContact O-N 2.52Å; I154-S156 VanDerWaalsContact C-N 3.3Å; I154-S156 PolarHBondContact O-N 3.31Å; I154-A157 PolarHBondContact O-N 3.3Å; I154-V158 HydrophobicContact CG2-CG2 4.05Å; I154-V158 WeakPolarHBondContact O-CB 3.43Å; I154-V158 VanDerWaalsContact O-CG2 3.22Å; I154-V158 WeakPolarHBondContact O-CG2 3.23Å; I154-V158 PolarHBondContact O-N 2.84Å; I154-I173 HydrophobicContact CD1-CG2 3.92Å; I154-I173 HydrophobicContact CG1-CG2 4.45Å; I154-I173 HydrophobicContact CG2-CD1 3.83Å; I154-I173 HydrophobicContact CG2-CG1 4.17Å; I154-I173 HydrophobicContact CG2-CG2 3.83Å; I154-L175 HydrophobicContact CD1-CD2 4.25Å; I154-W249 HydrophobicContact CG2-CE3 4.39Å; I154-W249 HydrophobicContact CG2-CH2 3.79Å; I154-W249 HydrophobicContact CG2-CZ3 3.54Å
155D94.3Very high87.4Confident31 Ų3152.9 Ų52.917%0.16630%0.301CS..Hα-helixtrans-57.1-46.3179.4-169.715.8000111.1I142 A157 V158 A159 W249 R253I142-D155 WeakPolarHBondContact O-CB 3.34Å; I142-D155 PolarHBondContact O-N 3.45Å; D155-A157 PolarHBondContact O-N 2.96Å; D155-V158 PolarHBondContact O-N 2.83Å; D155-A159 WeakPolarHBondContact O-CB 3.32Å; D155-A159 PolarHBondContact O-N 3.01Å; D155-W249 HydrophobicContact CB-CH2 4.41Å; D155-W249 HydrophobicContact CB-CZ2 3.75Å; D155-R253 IonicContact OD1-CZ 2.68Å; D155-R253 IonicContact OD1-NH1 3.82Å; D155-R253 PolarHBondContact OD1-NH1 3.4Å; D155-R253 IonicContact OD1-NH2 3.22Å; D155-R253 PolarHBondContact OD1-NH2 2.83Å; D155-R253 IonicContact OD2-NH2 3.01Å; D155-R253 PolarHBondContact OD2-NH2 3.07Å; D155-R253 VanDerWaalsContact OD2-NH2 3.08Å
156S93.7Very high88Confident17 Ų1752.5 Ų52.512%0.11930%0.3CS..Hα-helixtrans-62-43.8179.6-155.70000113K107 D151 S153 I154 T160K107-S156 PolarHBondContact NZ-OG 2.95Å; D151-S156 VanDerWaalsContact OD1-CB 3.3Å; D151-S156 WeakPolarHBondContact OD1-CB 3.32Å; D151-S156 WeakPolarHBondContact OD2-CB 3.45Å; D151-S156 PolarHBondContact OD2-OG 3.03Å; S153-S156 PolarHBondContact O-N 2.86Å; S153-S156 WeakPolarHBondContact OG-CB 3.32Å; S153-S156 PolarHBondContact OG-N 2.94Å; I154-S156 VanDerWaalsContact C-N 3.3Å; I154-S156 PolarHBondContact O-N 3.31Å; S156-T160 WeakPolarHBondContact O-CB 3.32Å; S156-T160 PolarHBondContact O-N 3.03Å; S156-T160 PolarHBondContact O-OG1 3.49Å
157A94.4Very high89Confident1 Ų149 Ų491%0.00827%0.27CS..Hα-helixtrans-67.1-48177.300000111.5R103 K107 L125 S153 I154 D155 A159 T160 L161R103-A157 HydrophobicContact CG-CB 3.48Å; R103-A157 VanDerWaalsContact CG-CB 3.48Å; K107-A157 HydrophobicContact CB-CB 4.34Å; L125-A157 HydrophobicContact CD1-CB 4.48Å; S153-A157 PolarHBondContact O-N 3.36Å; I154-A157 PolarHBondContact O-N 3.3Å; D155-A157 PolarHBondContact O-N 2.96Å; A157-A159 PolarHBondContact O-N 3.42Å; A157-T160 PolarHBondContact O-N 2.87Å; A157-L161 WeakPolarHBondContact O-CD1 3.49Å; A157-L161 PolarHBondContact O-N 3.23Å
158V96.4Very high90.1Very high1 Ų143.8 Ų43.81%0.00625%0.245CC..Hα-helixtrans-58.2-48.2177.8172.30000110.8L125 I154 D155 T160 L161 I162 L171 I173 W249 L255L125-V158 HydrophobicContact CD1-CG2 3.72Å; I154-V158 HydrophobicContact CG2-CG2 4.05Å; I154-V158 WeakPolarHBondContact O-CB 3.43Å; I154-V158 VanDerWaalsContact O-CG2 3.22Å; I154-V158 WeakPolarHBondContact O-CG2 3.23Å; I154-V158 PolarHBondContact O-N 2.84Å; D155-V158 PolarHBondContact O-N 2.83Å; V158-T160 PolarHBondContact O-N 2.81Å; V158-L161 PolarHBondContact O-N 3.1Å; V158-I162 HydrophobicContact CG1-CD1 3.73Å; V158-I162 HydrophobicContact CG1-CG1 4.46Å; V158-I162 VanDerWaalsContact O-CG1 3.32Å; V158-I162 WeakPolarHBondContact O-CG1 3.15Å; V158-I162 PolarHBondContact O-N 3.09Å; V158-L171 HydrophobicContact CG1-CD1 4.09Å; V158-I173 HydrophobicContact CG2-CD1 3.57Å; V158-W249 HydrophobicContact CB-CH2 4.19Å; V158-W249 HydrophobicContact CG1-CH2 4.36Å; V158-W249 HydrophobicContact CG2-CH2 3.99Å; V158-W249 HydrophobicContact CG2-CZ3 4.38Å; V158-L255 HydrophobicContact CG1-CD1 4.21Å; V158-L255 HydrophobicContact CG1-CD2 3.85Å; V158-L255 HydrophobicContact CG2-CD1 4.26Å
159A95.9Very high91Very high31 Ų3146 Ų4626%0.25626%0.262SS..Hα-helixtrans-58.7-48.3177.300000111.5D155 A157 L161 I162 E163D155-A159 WeakPolarHBondContact O-CB 3.32Å; D155-A159 PolarHBondContact O-N 3.01Å; A157-A159 PolarHBondContact O-N 3.42Å; A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 2.79Å; A159-I162 PolarHBondContact O-N 2.77Å; A159-E163 WeakPolarHBondContact O-CB 3.42Å; A159-E163 VanDerWaalsContact O-CG 3.29Å; A159-E163 WeakPolarHBondContact O-CG 3.42Å; A159-E163 PolarHBondContact O-N 2.88Å
160T96Very high92.2Very high30 Ų3039.3 Ų39.318%0.18423%0.23CC..Hα-helixtrans-60.7-42.3178.8-50.60000111.5K107 A110 S156 A157 V158 Q164K107-T160 HydrophobicContact CG-CG2 4.26Å; A110-T160 HydrophobicContact CB-CG2 3.62Å; S156-T160 WeakPolarHBondContact O-CB 3.32Å; S156-T160 PolarHBondContact O-N 3.03Å; S156-T160 PolarHBondContact O-OG1 3.49Å; A157-T160 PolarHBondContact O-N 2.87Å; V158-T160 PolarHBondContact O-N 2.81Å; T160-Q164 VanDerWaalsContact O-CG 3.24Å; T160-Q164 WeakPolarHBondContact O-CG 3.44Å; T160-Q164 PolarHBondContact O-N 2.83Å; T160-Q164 VanDerWaalsContact O-N 3.07Å
161L95.7Very high93.4Very high0 Ų034.8 Ų34.80%020%0.203CC..Hα-helixtrans-64.9-43.3177.2-88.8116000112.1A106 A110 F113 L125 A157 V158 A159 Q164 G165 A166 L171A106-L161 HydrophobicContact CB-CD1 4.07Å; A110-L161 HydrophobicContact CB-CG 4.4Å; F113-L161 HydrophobicContact CB-CD2 3.77Å; L125-L161 HydrophobicContact CD1-CD1 4.16Å; L125-L161 HydrophobicContact CD2-CD1 3.84Å; A157-L161 WeakPolarHBondContact O-CD1 3.49Å; A157-L161 PolarHBondContact O-N 3.23Å; V158-L161 PolarHBondContact O-N 3.1Å; A159-L161 VanDerWaalsContact C-N 3.34Å; A159-L161 PolarHBondContact O-N 2.79Å; L161-Q164 CarbonylContact O-C 3.57Å; L161-Q164 PolarHBondContact O-N 2.86Å; L161-G165 PolarHBondContact O-N 3.35Å; L161-A166 HydrophobicContact CB-CB 3.98Å; L161-A166 HydrophobicContact CD2-CB 4.29Å; L161-A166 WeakPolarHBondContact O-CB 3.44Å; L161-A166 PolarHBondContact O-N 2.72Å; L161-L171 HydrophobicContact CB-CD1 4.34Å; L161-L171 HydrophobicContact CD2-CD2 4.17Å
162I96.4Very high94.1Very high69 Ų6932.8 Ų32.835%0.35419%0.192SC..Hα-helixtrans-64.8-43.5177.8-68.6172.7000110.7V158 A159 Q164 G165 A168 L171V158-I162 HydrophobicContact CG1-CD1 3.73Å; V158-I162 HydrophobicContact CG1-CG1 4.46Å; V158-I162 VanDerWaalsContact O-CG1 3.32Å; V158-I162 WeakPolarHBondContact O-CG1 3.15Å; V158-I162 PolarHBondContact O-N 3.09Å; A159-I162 PolarHBondContact O-N 2.77Å; I162-Q164 PolarHBondContact O-N 3.18Å; I162-G165 WeakPolarHBondContact O-CA 3.48Å; I162-G165 PolarHBondContact O-N 3.14Å; I162-A168 HydrophobicContact CD1-CB 3.87Å; I162-A168 HydrophobicContact CG1-CB 4.41Å; I162-L171 HydrophobicContact CD1-CD1 4.38Å; I162-L171 HydrophobicContact CG1-CD1 3.96Å
163E96.2Very high94.9Very high153 Ų15331.8 Ų31.872%0.71519%0.187SC*.Hα-helixtrans-59.5-34.6175.1-76.1173.1-173.400112.4A159 G165A159-E163 WeakPolarHBondContact O-CB 3.42Å; A159-E163 VanDerWaalsContact O-CG 3.29Å; A159-E163 WeakPolarHBondContact O-CG 3.42Å; A159-E163 PolarHBondContact O-N 2.88Å; E163-G165 PolarHBondContact O-N 3.46Å
164Q96.5Very high95.1Very high97 Ų9731.9 Ų31.945%0.45319%0.188SC..THydrogen-bonded Turntrans-801.1173.7-64.2-61.8-42.700113.7A110 A114 T160 L161 I162A110-Q164 HydrophobicContact CB-CB 4.37Å; A110-Q164 HydrophobicContact CB-CG 3.76Å; A114-Q164 HydrophobicContact CB-CB 3.84Å; A114-Q164 WeakPolarHBondContact CB-O 3.46Å; T160-Q164 VanDerWaalsContact O-CG 3.24Å; T160-Q164 WeakPolarHBondContact O-CG 3.44Å; T160-Q164 PolarHBondContact O-N 2.83Å; T160-Q164 VanDerWaalsContact O-N 3.07Å; L161-Q164 CarbonylContact O-C 3.57Å; L161-Q164 PolarHBondContact O-N 2.86Å; I162-Q164 PolarHBondContact O-N 3.18Å
165G93.8Very high95.1Very high34 Ų3431.9 Ų31.935%0.35119%0.188SC..THydrogen-bonded Turntrans100.114172.700000115.6W118 L161 I162 E163W118-G165 PolarHBondContact NE1-O 3.32Å; L161-G165 PolarHBondContact O-N 3.35Å; I162-G165 WeakPolarHBondContact O-CA 3.48Å; I162-G165 PolarHBondContact O-N 3.14Å; E163-G165 PolarHBondContact O-N 3.46Å
166A95.1Very high95Very high5 Ų530.5 Ų30.54%0.04118%0.181CC..  trans-70.4130.7173.900000110.5A114 A117 L161 A168 L171A114-A166 HydrophobicContact CB-CB 3.91Å; A117-A166 HydrophobicContact CB-CB 4.35Å; L161-A166 HydrophobicContact CB-CB 3.98Å; L161-A166 HydrophobicContact CD2-CB 4.29Å; L161-A166 WeakPolarHBondContact O-CB 3.44Å; L161-A166 PolarHBondContact O-N 2.72Å; A166-A168 PolarHBondContact O-N 3.44Å; A166-L171 HydrophobicContact CB-CD2 4.23Å
167P93Very high94.9Very high25 Ų2529.8 Ų29.816%0.16218%0.176CC..  trans-66.5123.2172.7-19.432.1000110.8W118 S169 K170W118-P167 HydrophobicContact CD2-CG 4.23Å; W118-P167 HydrophobicContact CH2-CG 4.28Å; W118-P167 HydrophobicContact CZ2-CG 3.95Å; P167-S169 PolarHBondContact O-N 3.04Å; P167-K170 HydrophobicContact CB-CB 4.47Å; P167-K170 HydrophobicContact CB-CD 4.39Å; P167-K170 HydrophobicContact CB-CG 4.14Å; P167-K170 HydrophobicContact CG-CD 4.2Å; P167-K170 HydrophobicContact CG-CG 4.49Å; P167-K170 WeakPolarHBondContact O-CB 3.21Å; P167-K170 PolarHBondContact O-N 2.93Å
168A92.9Very high94.8Very high28 Ų2831.4 Ų31.423%0.23118%0.183CC..G310 helixtrans-51.3-41.617700000112.2I162 A166 K170 L171 L255I162-A168 HydrophobicContact CD1-CB 3.87Å; I162-A168 HydrophobicContact CG1-CB 4.41Å; A166-A168 PolarHBondContact O-N 3.44Å; A168-K170 PolarHBondContact O-N 3.35Å; A168-L171 PolarHBondContact O-N 2.81Å; A168-L255 HydrophobicContact CB-CD2 4.05Å; A168-L255 WeakPolarHBondContact O-CA 3.11Å
169S93.6Very high94.5Very high80 Ų8031.3 Ų31.356%0.55918%0.183SC*.G310 helixtrans-64.7-1.4177.870.10000115.3P167 R256P167-S169 PolarHBondContact O-N 3.04Å; S169-R256 VanDerWaalsContact O-CB 3.24Å; S169-R256 WeakPolarHBondContact O-CB 3.44Å; S169-R256 WeakPolarHBondContact O-CD 3.35Å; S169-R256 VanDerWaalsContact O-CG 3.32Å; S169-R256 WeakPolarHBondContact O-CG 3.37Å
170K95Very high94.2Very high44 Ų4429.9 Ų29.919%0.19117%0.17CC..G310 helixtrans-111.9-7.5173.3-64.8-167.1179.1-165.70113.1A117 W118 L120 D121 F122 V123 P167 A168A117-K170 WeakPolarHBondContact O-CD 3.4Å; A117-K170 WeakPolarHBondContact O-CE 3.28Å; A117-K170 PolarHBondContact O-NZ 3.38Å; W118-K170 PolarHBondContact O-NZ 3.37Å; W118-K170 VanDerWaalsContact O-NZ 3.16Å; L120-K170 WeakPolarHBondContact O-CE 3.33Å; L120-K170 PolarHBondContact O-NZ 2.8Å; D121-K170 WeakPolarHBondContact O-CG 2.88Å; F122-K170 CarbonylContact C-O 3.59Å; F122-K170 WeakPolarHBondContact CA-O 3.37Å; F122-K170 WeakPolarHBondContact CB-O 3.09Å; V123-K170 PolarHBondContact N-O 3.31Å; P167-K170 HydrophobicContact CB-CB 4.47Å; P167-K170 HydrophobicContact CB-CD 4.39Å; P167-K170 HydrophobicContact CB-CG 4.14Å; P167-K170 HydrophobicContact CG-CD 4.2Å; P167-K170 HydrophobicContact CG-CG 4.49Å; P167-K170 WeakPolarHBondContact O-CB 3.21Å; P167-K170 PolarHBondContact O-N 2.93Å; A168-K170 PolarHBondContact O-N 3.35Å
171L96.6Very high93.9Very high0 Ų029 Ų290%016%0.164CC..EExtended strand (participates in β ladder)trans-85.9129.4179.3-57.4-178.4000110.1V123 V158 L161 I162 A166 A168 L255 R256V123-L171 HydrophobicContact CB-CD2 4.18Å; V158-L171 HydrophobicContact CG1-CD1 4.09Å; L161-L171 HydrophobicContact CB-CD1 4.34Å; L161-L171 HydrophobicContact CD2-CD2 4.17Å; I162-L171 HydrophobicContact CD1-CD1 4.38Å; I162-L171 HydrophobicContact CG1-CD1 3.96Å; A166-L171 HydrophobicContact CB-CD2 4.23Å; A168-L171 PolarHBondContact O-N 2.81Å; L171-L255 HydrophobicContact CB-CD2 4.32Å; L171-R256 WeakPolarHBondContact O-CA 3.41Å; L171-R256 WeakPolarHBondContact O-CB 3.33Å; L171-R256 PolarHBondContact O-N 2.92Å
172V96.6Very high93.7Very high13 Ų1329 Ų298%0.07916%0.164CC..EExtended strand (participates in β ladder)trans-116.2130.6175.6174.90000107.9F122 V123 I124 L125 R256 G257 A259F122-V172 HydrophobicContact CB-CG2 3.95Å; F122-V172 HydrophobicContact CD2-CG2 4.3Å; F122-V172 HydrophobicContact CG-CG2 4.37Å; V123-V172 PolarHBondContact O-N 3.09Å; I124-V172 CarbonylContact C-O 3.51Å; I124-V172 WeakPolarHBondContact CA-O 3.41Å; I124-V172 HydrophobicContact CG1-CB 3.99Å; I124-V172 HydrophobicContact CG1-CG1 4.04Å; I124-V172 HydrophobicContact CG2-CG1 4.5Å; L125-V172 PolarHBondContact N-O 3.02Å; V172-R256 HydrophobicContact CG2-CB 3.84Å; V172-R256 HydrophobicContact CG2-CG 4.19Å; V172-G257 WeakPolarHBondContact CA-O 3.46Å; V172-A259 HydrophobicContact CG1-CB 3.84Å
173I96.2Very high93.5Very high3 Ų327.8 Ų27.82%0.01516%0.16CC..EExtended strand (participates in β ladder)trans-91.4119.2-178.1-57.6-47.9000110.1L125 I154 V158 L175 W249 V250 L255 G257 I258 A259L125-I173 HydrophobicContact CB-CD1 4.44Å; L125-I173 HydrophobicContact CD1-CD1 4.02Å; I154-I173 HydrophobicContact CD1-CG2 3.92Å; I154-I173 HydrophobicContact CG1-CG2 4.45Å; I154-I173 HydrophobicContact CG2-CD1 3.83Å; I154-I173 HydrophobicContact CG2-CG1 4.17Å; I154-I173 HydrophobicContact CG2-CG2 3.83Å; V158-I173 HydrophobicContact CG2-CD1 3.57Å; I173-L175 HydrophobicContact CG2-CD2 4.06Å; I173-W249 HydrophobicContact CG1-CZ3 4.27Å; I173-V250 HydrophobicContact CB-CG2 3.82Å; I173-V250 HydrophobicContact CG1-CG2 3.6Å; I173-V250 HydrophobicContact CG2-CG2 4.43Å; I173-L255 HydrophobicContact CD1-CD1 3.79Å; I173-L255 HydrophobicContact CG1-CD1 3.61Å; I173-G257 PolarHBondContact N-O 3.07Å; I173-I258 CarbonylContact O-C 3.57Å; I173-I258 VanDerWaalsContact O-CA 3.27Å; I173-I258 WeakPolarHBondContact O-CA 3.37Å; I173-I258 WeakPolarHBondContact O-CG2 3.37Å; I173-A259 PolarHBondContact O-N 2.01Å
174G94.5Very high93.2Very high4 Ų420.9 Ų20.94%0.04113%0.129CC..EExtended strand (participates in β ladder)trans-82.6124.917500000111.4L125 A259L125-G174 VanDerWaalsContact O-CA 3.3Å; L125-G174 WeakPolarHBondContact O-CA 3.31Å; L125-G174 PolarHBondContact O-N 3Å; G174-A259 CarbonylContact C-O 3.47Å; G174-A259 VanDerWaalsContact CA-O 3.3Å; G174-A259 WeakPolarHBondContact CA-O 3.31Å
175L94.5Very high93Very high3 Ų323.8 Ų23.82%0.01614%0.135CC..EExtended strand (participates in β ladder)trans-114.7131.6173.8-57.5-178.7000109.7D140 I154 I173 K246 I258 A259 L260 S261D140-L175 HydrophobicContact CB-CD2 3.92Å; D140-L175 WeakPolarHBondContact OD2-CA 2.99Å; I154-L175 HydrophobicContact CD1-CD2 4.25Å; I173-L175 HydrophobicContact CG2-CD2 4.06Å; L175-K246 HydrophobicContact CD1-CB 3.87Å; L175-K246 HydrophobicContact CD1-CD 4.21Å; L175-K246 HydrophobicContact CD2-CB 4.29Å; L175-K246 HydrophobicContact CD2-CD 3.64Å; L175-K246 HydrophobicContact CD2-CG 4.44Å; L175-I258 HydrophobicContact CD1-CG2 3.79Å; L175-I258 HydrophobicContact CG-CG2 3.92Å; L175-A259 PolarHBondContact N-O 2.9Å; L175-L260 HydrophobicContact CB-CD2 3.97Å; L175-L260 HydrophobicContact CD1-CD2 4.3Å; L175-S261 PolarHBondContact O-N 2.93Å
176S92.4Very high92.8Very high2 Ų225.5 Ų25.51%0.01414%0.136CC..EExtended strand (participates in β ladder)trans-76133.1175.8-174.20000110.7E129 D140 H178 N238 S261E129-S176 PolarHBondContact OE1-OG 3.39Å; D140-S176 PolarHBondContact OD2-N 3.18Å; S176-H178 VanDerWaalsContact C-N 3.33Å; S176-H178 WeakPolarHBondContact OG-CB 2.94Å; S176-H178 PolarHBondContact OG-N 3.3Å; S176-H178 VanDerWaalsContact OG-N 3.11Å; S176-N238 PolarHBondContact O-ND2 3.03Å; S176-S261 WeakPolarHBondContact CA-O 3.07Å
177L91.8Very high92.3Very high2 Ų228.3 Ų28.31%0.0115%0.154CC..  trans-89.7-5.2170-62.5177.7000111.9L260 S261 P262 A265 D266 L281L177-L260 HydrophobicContact CD1-CB 3.87Å; L177-L260 HydrophobicContact CD2-CB 4.2Å; L177-L260 HydrophobicContact CD2-CD2 3.96Å; L177-L260 HydrophobicContact CG-CB 4.12Å; L177-S261 PolarHBondContact N-O 2.77Å; L177-P262 WeakPolarHBondContact CB-O 3.29Å; L177-P262 WeakPolarHBondContact CD1-O 3.38Å; L177-A265 HydrophobicContact CB-CB 3.94Å; L177-D266 HydrophobicContact CD1-CB 4.15Å; L177-L281 HydrophobicContact CD2-CB 3.65Å; L177-L281 HydrophobicContact CD2-CD1 3.52Å; L177-L281 HydrophobicContact CD2-CG 4.23Å
178H91.1Very high91.9Very high35 Ų3534.9 Ų34.916%0.16218%0.182CC..EExtended strand (participates in β ladder)trans-80.1151.5170.1-65.8120.8000111.5E129 S176 L203 V204 P262 A265E129-H178 IonicContact OE1-ND1 3.27Å; E129-H178 PolarHBondContact OE1-ND1 3.16Å; S176-H178 VanDerWaalsContact C-N 3.33Å; S176-H178 WeakPolarHBondContact OG-CB 2.94Å; S176-H178 PolarHBondContact OG-N 3.3Å; S176-H178 VanDerWaalsContact OG-N 3.11Å; H178-L203 HydrophobicContact CB-CB 4.24Å; H178-L203 HydrophobicContact CB-CD2 4.35Å; H178-V204 WeakPolarHBondContact CA-O 3.06Å; H178-P262 WeakPolarHBondContact CE1-CD 3.28Å; H178-P262 WeakPolarHBondContact CE1-CG 3.3Å; H178-P262 VanDerWaalsContact ND1-CD 3.33Å; H178-P262 WeakPolarHBondContact ND1-CD 3.27Å; H178-A265 VanDerWaalsContact CD2-CB 3.43Å; H178-A265 WeakPolarHBondContact CD2-CB 3.46Å
179A90.1Very high91.5Very high0 Ų036.7 Ų36.70%019%0.188CC..EExtended strand (participates in β ladder)trans-91.6137.3157.400000110V204 I209 I235 S236 F237A179-V204 PolarHBondContact N-O 3.29Å; A179-V204 PolarHBondContact O-N 3.39Å; A179-I209 HydrophobicContact CB-CB 4.5Å; A179-I209 HydrophobicContact CB-CD1 3.43Å; A179-I209 VanDerWaalsContact CB-CD1 3.43Å; A179-I209 HydrophobicContact CB-CG1 3.9Å; A179-I209 HydrophobicContact CB-CG2 4.06Å; A179-I235 HydrophobicContact CB-CD1 3.74Å; A179-I235 HydrophobicContact CB-CG1 4Å; A179-S236 CarbonylContact C-O 3.37Å; A179-S236 WeakPolarHBondContact CA-O 3.42Å; A179-F237 HydrophobicContact CB-CB 3.72Å
180H90.4Very high91Very high0 Ų035.5 Ų35.50%018%0.18CC..EExtended strand (participates in β ladder)trans-97.9109.3179.1-67.4-152.8000108.1Y137 V139 F182 P201 I235 S236Y137-H180 AromaticContact CE2-CE1 3.88Å; Y137-H180 AromaticContact CE2-ND1 3.33Å; Y137-H180 VanDerWaalsContact CE2-ND1 3.33Å; Y137-H180 WeakPolarHBondContact CE2-ND1 3.17Å; Y137-H180 AromaticContact CZ-ND1 3.44Å; Y137-H180 PolarHBondContact OH-CE1 3.31Å; Y137-H180 PolarHBondContact OH-ND1 3.13Å; V139-H180 HydrophobicContact CG2-CB 3.75Å; V139-H180 VanDerWaalsContact CG2-CD2 3.48Å; V139-H180 WeakPolarHBondContact CG2-CD2 3.37Å; H180-F182 HydrophobicContact CB-CE2 3.68Å; H180-F182 HydrophobicContact CB-CZ 4.24Å; H180-F182 WeakPolarHBondContact O-CD2 3.36Å; H180-P201 HydrophobicContact CB-CB 3.85Å; H180-P201 HydrophobicContact CB-CG 4.26Å; H180-I235 WeakPolarHBondContact O-CA 3.04Å; H180-S236 PolarHBondContact N-O 2.99Å; H180-S236 PolarHBondContact O-N 3.11Å
181L90.2Very high90.4Very high11 Ų1137.8 Ų37.86%0.05819%0.191CC..EExtended strand (participates in β ladder)trans-103.6120.1-177.2-176.2134.4000110.8P201 Q202 V204 L229 W234L181-P201 CarbonylContact O-C 3.53Å; L181-P201 VanDerWaalsContact O-CA 3.22Å; L181-P201 WeakPolarHBondContact O-CA 3.38Å; L181-Q202 HydrophobicContact CB-CB 4.45Å; L181-Q202 WeakPolarHBondContact CB-O 3.49Å; L181-Q202 HydrophobicContact CD2-CB 4.34Å; L181-Q202 PolarHBondContact N-O 3.07Å; L181-Q202 PolarHBondContact O-N 2.93Å; L181-V204 HydrophobicContact CB-CG2 4.12Å; L181-L229 HydrophobicContact CD1-CD1 3.66Å; L181-W234 CarbonylContact C-O 3.54Å; L181-W234 WeakPolarHBondContact CA-O 3.42Å
182F91Very high89.9Confident0 Ų038.4 Ų38.40%020%0.195CC..EExtended strand (participates in β ladder)trans-108.3144.7-179.7-58.9-105.1000109.7T135 T136 Y137 H180 A196 P201 R233 W234T135-F182 WeakPolarHBondContact O-CE1 3.47Å; T136-F182 HydrophobicContact CG2-CB 3.83Å; T136-F182 HydrophobicContact CG2-CD1 4.21Å; T136-F182 HydrophobicContact CG2-CD2 4.4Å; T136-F182 HydrophobicContact CG2-CG 3.91Å; Y137-F182 AromaticContact CD1-CE1 3.73Å; Y137-F182 HydrophobicContact CD1-CE1 3.73Å; Y137-F182 AromaticContact CD1-CZ 3.45Å; Y137-F182 HydrophobicContact CD1-CZ 3.45Å; Y137-F182 VanDerWaalsContact CD1-CZ 3.45Å; Y137-F182 HydrophobicContact CD2-CZ 4.36Å; Y137-F182 AromaticContact CE1-CE1 3.66Å; Y137-F182 HydrophobicContact CE1-CE1 3.66Å; Y137-F182 AromaticContact CE1-CZ 3.38Å; Y137-F182 HydrophobicContact CE1-CZ 3.38Å; Y137-F182 HydrophobicContact CE2-CZ 4.29Å; Y137-F182 AromaticContact CG-CZ 3.97Å; Y137-F182 HydrophobicContact CG-CZ 3.97Å; Y137-F182 AromaticContact CZ-CZ 3.82Å; H180-F182 HydrophobicContact CB-CE2 3.68Å; H180-F182 HydrophobicContact CB-CZ 4.24Å; H180-F182 WeakPolarHBondContact O-CD2 3.36Å; F182-A196 HydrophobicContact CB-CB 4.22Å; F182-A196 HydrophobicContact CD1-CB 4.15Å; F182-P201 HydrophobicContact CD1-CB 4.11Å; F182-P201 HydrophobicContact CD2-CB 4.08Å; F182-P201 HydrophobicContact CE1-CB 3.81Å; F182-P201 HydrophobicContact CE1-CG 4.03Å; F182-P201 HydrophobicContact CE2-CB 3.83Å; F182-P201 HydrophobicContact CE2-CG 4.48Å; F182-P201 HydrophobicContact CG-CB 4.24Å; F182-P201 HydrophobicContact CZ-CB 3.68Å; F182-P201 HydrophobicContact CZ-CG 3.91Å; F182-R233 CarbonylContact O-C 3.53Å; F182-R233 VanDerWaalsContact O-CA 3.27Å; F182-R233 WeakPolarHBondContact O-CA 3.26Å; F182-W234 HydrophobicContact CB-CB 4.41Å; F182-W234 HydrophobicContact CB-CE3 4.47Å; F182-W234 AromaticContact CD2-CE3 3.45Å; F182-W234 HydrophobicContact CD2-CE3 3.45Å; F182-W234 VanDerWaalsContact CD2-CE3 3.45Å; F182-W234 AromaticContact CD2-CZ3 3.72Å; F182-W234 HydrophobicContact CD2-CZ3 3.72Å; F182-W234 AromaticContact CE2-CE3 3.9Å; F182-W234 HydrophobicContact CE2-CE3 3.9Å; F182-W234 AromaticContact CE2-CZ3 3.64Å; F182-W234 HydrophobicContact CE2-CZ3 3.64Å; F182-W234 HydrophobicContact CG-CE3 4.19Å; F182-W234 PolarHBondContact N-O 2.9Å; F182-W234 PolarHBondContact O-N 3.33Å
183V91.2Very high89.3Confident44 Ų4439.6 Ų39.627%0.26721%0.209SC..EExtended strand (participates in β ladder)trans-101.6112.8168.5-176.70000107.2A196 T197 S200 R233V183-A196 CarbonylContact O-C 3.46Å; V183-A196 WeakPolarHBondContact O-CA 3.31Å; V183-A196 WeakPolarHBondContact O-CB 3.36Å; V183-T197 HydrophobicContact CB-CG2 3.98Å; V183-T197 HydrophobicContact CG1-CG2 3.91Å; V183-T197 PolarHBondContact O-N 3.16Å; V183-S200 PolarHBondContact N-OG 2.66Å; V183-R233 HydrophobicContact CG2-CG 4.5Å
184L91.4Very high88.9Confident9 Ų939.5 Ų39.55%0.04721%0.209CC..BIsolated β-bridgetrans-69.3139.6-179.8-61.4174.2000110.1T136 D186 L189 A194 P195 L228 G232 W234T136-L184 HydrophobicContact CG2-CD2 3.47Å; T136-L184 VanDerWaalsContact CG2-CD2 3.47Å; L184-D186 VanDerWaalsContact C-N 3.34Å; L184-L189 WeakPolarHBondContact CD1-O 3.4Å; L184-A194 HydrophobicContact CD2-CB 3.74Å; L184-P195 WeakPolarHBondContact CA-O 3.25Å; L184-L228 HydrophobicContact CD1-CD1 3.7Å; L184-G232 WeakPolarHBondContact CB-O 3.4Å; L184-G232 WeakPolarHBondContact CG-O 3.29Å; L184-G232 PolarHBondContact N-O 3.32Å; L184-W234 HydrophobicContact CD1-CB 4.07Å; L184-W234 HydrophobicContact CD2-CB 3.98Å; L184-W234 HydrophobicContact CG-CB 3.94Å
185R91.3Very high88.7Confident158 Ų15841.7 Ų41.760%0.59622%0.223SC*.SBendtrans-70.4-36.8170.4-65.1-173.1-175.2-169.7-3.4111.3P195 A196R185-P195 HydrophobicContact CB-CB 4.32Å; R185-P195 HydrophobicContact CG-CB 4.38Å; R185-P195 PolarHBondContact N-O 2.92Å; R185-A196 PolarHBondContact NE-O 2.95Å
186D89.2Confident88.4Confident70 Ų7041.5 Ų41.537%0.37422%0.222SC..SBendtrans-126.3108.8173.2-174.9-9.8000108.9L184 Q188 L189L184-D186 VanDerWaalsContact C-N 3.34Å; D186-Q188 PolarHBondContact O-N 2.86Å; D186-Q188 VanDerWaalsContact O-N 3.11Å; D186-Q188 VanDerWaalsContact OD1-CB 3.32Å; D186-Q188 WeakPolarHBondContact OD1-CB 3.35Å; D186-Q188 WeakPolarHBondContact OD1-CG 3.07Å; D186-Q188 PolarHBondContact OD1-N 2.98Å; D186-L189 HydrophobicContact CB-CD1 4.22Å; D186-L189 HydrophobicContact CB-CG 4.28Å; D186-L189 PolarHBondContact O-N 3Å
187P84.9Confident88.3Confident63 Ų6343.6 Ų43.641%0.40923%0.234SC..THydrogen-bonded Turntrans-59.3-18.1177.8-24.835000115L189P187-L189 VanDerWaalsContact C-N 3.31Å
188Q84.9Confident87.9Confident163 Ų16349.5 Ų49.576%0.76226%0.26SS*.THydrogen-bonded Turntrans-74.7-24.2176.8-58.5-61.4-17.400112.2D186 S190D186-Q188 PolarHBondContact O-N 2.86Å; D186-Q188 VanDerWaalsContact O-N 3.11Å; D186-Q188 VanDerWaalsContact OD1-CB 3.32Å; D186-Q188 WeakPolarHBondContact OD1-CB 3.35Å; D186-Q188 WeakPolarHBondContact OD1-CG 3.07Å; D186-Q188 PolarHBondContact OD1-N 2.98Å; Q188-S190 PolarHBondContact O-N 3.49Å
189L85.5Confident87.4Confident66 Ų6653.2 Ų53.235%0.34628%0.281SS..  trans-92.890173.7-58.7177.4000108.1L184 D186 P187 Q191 A194 P195L184-L189 WeakPolarHBondContact CD1-O 3.4Å; D186-L189 HydrophobicContact CB-CD1 4.22Å; D186-L189 HydrophobicContact CB-CG 4.28Å; D186-L189 PolarHBondContact O-N 3Å; P187-L189 VanDerWaalsContact C-N 3.31Å; L189-Q191 VanDerWaalsContact C-OE1 3.31Å; L189-A194 HydrophobicContact CB-CB 4.1Å; L189-A194 WeakPolarHBondContact O-CB 3.14Å; L189-P195 HydrophobicContact CD1-CG 4.44Å
190S82.7Confident87.1Confident56 Ų5653.2 Ų53.239%0.39228%0.281SS..  trans-111.65.1-174.861.90000114.4Q188 W234Q188-S190 PolarHBondContact O-N 3.49Å; S190-W234 VanDerWaalsContact O-CD1 3.26Å; S190-W234 PolarHBondContact O-NE1 2.93Å
191Q82.8Confident87Confident92 Ų9253.3 Ų53.343%0.4328%0.282SS..SBendtrans-68.9162.9171.965.8-8836.100111.9T136 L189 G193 A194T136-Q191 PolarHBondContact OG1-O 3.3Å; L189-Q191 VanDerWaalsContact C-OE1 3.31Å; Q191-G193 PolarHBondContact O-N 3.28Å; Q191-A194 WeakPolarHBondContact O-CB 3.45Å; Q191-A194 PolarHBondContact O-N 3.14Å
192V84.8Confident86.8Confident13 Ų1357.5 Ų57.58%0.07930%0.301CS..THydrogen-bonded Turntrans-61.2136.6166.8175.20000108.7L145 V148 Y226 W234L145-V192 HydrophobicContact CD2-CB 4.09Å; L145-V192 HydrophobicContact CD2-CG1 4.14Å; L145-V192 HydrophobicContact CD2-CG2 3.67Å; V148-V192 HydrophobicContact CG2-CG1 3.79Å; V192-Y226 HydrophobicContact CG2-CD1 4.03Å; V192-Y226 HydrophobicContact CG2-CD2 4.13Å; V192-Y226 HydrophobicContact CG2-CE1 3.75Å; V192-Y226 HydrophobicContact CG2-CE2 3.85Å; V192-Y226 HydrophobicContact CG2-CG 4.21Å; V192-W234 HydrophobicContact CG2-CH2 4.12Å; V192-W234 HydrophobicContact CG2-CZ2 3.64Å
193G84.6Confident86.8Confident37 Ų3760.7 Ų60.738%0.38132%0.318SS..THydrogen-bonded Turntrans90.5-0.3-172.800000114.6T136 Q191T136-G193 WeakPolarHBondContact O-CA 3.37Å; T136-G193 PolarHBondContact O-N 2.94Å; T136-G193 PolarHBondContact OG1-N 3.42Å; Q191-G193 PolarHBondContact O-N 3.28Å
194A87.6Confident86.7Confident1 Ų159.8 Ų59.81%0.00831%0.312CS..  trans-64.7142.6178.900000112.9T135 T136 L184 L189 Q191 A196T135-A194 CarbonylContact C-O 3.51Å; T135-A194 WeakPolarHBondContact CA-O 3.18Å; T136-A194 HydrophobicContact CG2-CB 4.35Å; T136-A194 PolarHBondContact N-O 3.11Å; T136-A194 PolarHBondContact OG1-N 3.48Å; L184-A194 HydrophobicContact CD2-CB 3.74Å; L189-A194 HydrophobicContact CB-CB 4.1Å; L189-A194 WeakPolarHBondContact O-CB 3.14Å; Q191-A194 WeakPolarHBondContact O-CB 3.45Å; Q191-A194 PolarHBondContact O-N 3.14Å; A194-A196 PolarHBondContact O-N 3.4Å
195P90.4Very high86.6Confident50 Ų5060.8 Ų60.833%0.32532%0.32SS..BIsolated β-bridgetrans-61.3130.2-179.3-23.433.7000113.3Y134 L184 R185 L189Y134-P195 CarbonylContact O-C 3.57Å; Y134-P195 WeakPolarHBondContact O-CA 3.3Å; L184-P195 WeakPolarHBondContact CA-O 3.25Å; R185-P195 HydrophobicContact CB-CB 4.32Å; R185-P195 HydrophobicContact CG-CB 4.38Å; R185-P195 PolarHBondContact N-O 2.92Å; L189-P195 HydrophobicContact CD1-CG 4.44Å
196A89.1Confident86.5Confident0 Ų053.4 Ų53.40%029%0.292CS..BIsolated β-bridgetrans-118.9165179.800000112.5Y134 F182 V183 R185 A194Y134-A196 PolarHBondContact O-N 2.79Å; F182-A196 HydrophobicContact CB-CB 4.22Å; F182-A196 HydrophobicContact CD1-CB 4.15Å; V183-A196 CarbonylContact O-C 3.46Å; V183-A196 WeakPolarHBondContact O-CA 3.31Å; V183-A196 WeakPolarHBondContact O-CB 3.36Å; R185-A196 PolarHBondContact NE-O 2.95Å; A194-A196 PolarHBondContact O-N 3.4Å
197T90Very high86.3Confident45 Ų4551 Ų5128%0.27628%0.283SS..  trans-68.9162.2172.763.80000111.3V183 D199 S200V183-T197 HydrophobicContact CB-CG2 3.98Å; V183-T197 HydrophobicContact CG1-CG2 3.91Å; V183-T197 PolarHBondContact O-N 3.16Å; T197-D199 VanDerWaalsContact C-N 3.29Å; T197-D199 PolarHBondContact O-N 2.86Å; T197-S200 WeakPolarHBondContact O-CB 3.42Å; T197-S200 PolarHBondContact O-N 2.74Å; T197-S200 PolarHBondContact O-OG 3.41Å; T197-S200 PolarHBondContact OG1-OG 3.45Å; T197-S200 VanDerWaalsContact OG1-OG 3.11Å
198F82.2Confident86.3Confident126 Ų12655 Ų5555%0.55329%0.294SS*.THydrogen-bonded Turntrans-59.7-37.9-178.4178.1-107.2000113.1Y134 S200Y134-F198 HydrophobicContact CE1-CB 4.41Å; Y134-F198 AromaticContact CE1-CD2 3.71Å; Y134-F198 HydrophobicContact CE1-CD2 3.71Å; Y134-F198 AromaticContact CZ-CD2 3.77Å; Y134-F198 WeakPolarHBondContact OH-CD2 3.47Å; Y134-F198 WeakPolarHBondContact OH-CE2 3.42Å; F198-S200 PolarHBondContact O-N 2.99Å; F198-S200 VanDerWaalsContact O-N 3.08Å
199D81.6Confident86.2Confident113 Ų11347.6 Ų47.660%0.60426%0.259SS*.THydrogen-bonded Turntrans-78.111.6-177.6-51.3-35.7000113.6T197T197-D199 VanDerWaalsContact C-N 3.29Å; T197-D199 PolarHBondContact O-N 2.86Å
200S83.9Confident85.8Confident0 Ų045.4 Ų45.40%025%0.249CC..PPolyproline II helixtrans-97.5145.2179.4-61.70000112.3G132 V183 T197 F198G132-S200 PolarHBondContact N-O 2.93Å; V183-S200 PolarHBondContact N-OG 2.66Å; T197-S200 WeakPolarHBondContact O-CB 3.42Å; T197-S200 PolarHBondContact O-N 2.74Å; T197-S200 PolarHBondContact O-OG 3.41Å; T197-S200 PolarHBondContact OG1-OG 3.45Å; T197-S200 VanDerWaalsContact OG1-OG 3.11Å; F198-S200 PolarHBondContact O-N 2.99Å; F198-S200 VanDerWaalsContact O-N 3.08Å
201P87.3Confident85.3Confident3 Ų349.2 Ų49.22%0.01926%0.26CS..PPolyproline II helixcis-80.8150.3-6.531.9-28.5000112.6M130 N131 Y137 H180 L181 F182M130-P201 WeakPolarHBondContact O-CD 3.4Å; N131-P201 PolarHBondContact OD1-O 2.93Å; Y137-P201 HydrophobicContact CE1-CG 4.33Å; Y137-P201 WeakPolarHBondContact OH-CG 3.28Å; H180-P201 HydrophobicContact CB-CB 3.85Å; H180-P201 HydrophobicContact CB-CG 4.26Å; L181-P201 CarbonylContact O-C 3.53Å; L181-P201 VanDerWaalsContact O-CA 3.22Å; L181-P201 WeakPolarHBondContact O-CA 3.38Å; F182-P201 HydrophobicContact CD1-CB 4.11Å; F182-P201 HydrophobicContact CD2-CB 4.08Å; F182-P201 HydrophobicContact CE1-CB 3.81Å; F182-P201 HydrophobicContact CE1-CG 4.03Å; F182-P201 HydrophobicContact CE2-CB 3.83Å; F182-P201 HydrophobicContact CE2-CG 4.48Å; F182-P201 HydrophobicContact CG-CB 4.24Å; F182-P201 HydrophobicContact CZ-CB 3.68Å; F182-P201 HydrophobicContact CZ-CG 3.91Å
202Q87.5Confident84.7Confident99 Ų9949.5 Ų49.546%0.46326%0.262SS..EExtended strand (participates in β ladder)trans-83.8124160.4-61.81771000108.1L181L181-Q202 HydrophobicContact CB-CB 4.45Å; L181-Q202 WeakPolarHBondContact CB-O 3.49Å; L181-Q202 HydrophobicContact CD2-CB 4.34Å; L181-Q202 PolarHBondContact N-O 3.07Å; L181-Q202 PolarHBondContact O-N 2.93Å
203L89.8Confident83.9Confident67 Ų6750.5 Ų50.535%0.35127%0.265SS..EExtended strand (participates in β ladder)trans-80126.9175.9-57.6-179.1000109.8E129 H178E129-L203 HydrophobicContact CB-CD1 4.5Å; E129-L203 WeakPolarHBondContact OE2-CD1 3.3Å; H178-L203 HydrophobicContact CB-CB 4.24Å; H178-L203 HydrophobicContact CB-CD2 4.35Å
204V89.9Confident82.5Confident24 Ų2453.6 Ų53.615%0.14529%0.287CS..EExtended strand (participates in β ladder)trans-128.4134.1-174.6-173.80000109.3H178 A179 L181 K208 I209H178-V204 WeakPolarHBondContact CA-O 3.06Å; A179-V204 PolarHBondContact N-O 3.29Å; A179-V204 PolarHBondContact O-N 3.39Å; L181-V204 HydrophobicContact CB-CG2 4.12Å; V204-K208 HydrophobicContact CG1-CB 3.59Å; V204-K208 HydrophobicContact CG1-CD 3.68Å; V204-K208 HydrophobicContact CG1-CG 4.27Å; V204-I209 HydrophobicContact CB-CG2 4.2Å; V204-I209 HydrophobicContact CG1-CG2 3.71Å
205S89.1Confident81.5Confident31 Ų3157.9 Ų57.922%0.21731%0.314CS..EExtended strand (participates in β ladder)trans-62.1146.317762.60000112.1A207 K208 A265S205-A207 PolarHBondContact O-N 3.26Å; S205-A207 VanDerWaalsContact O-N 3.15Å; S205-K208 PolarHBondContact O-N 2.97Å; S205-A265 CarbonylContact C-O 3.56Å; S205-A265 WeakPolarHBondContact CB-O 3.43Å
206Y88.1Confident80.8Confident2 Ų256.7 Ų56.71%0.00831%0.308CS..Hα-helixtrans-51.6-38.4177.1-171.4-109.5000112.3K208 I209 C210 K213 N238 D239 E240 A265 D267 P280 L281Y206-K208 PolarHBondContact O-N 3.1Å; Y206-I209 WeakPolarHBondContact O-CG1 3.27Å; Y206-I209 PolarHBondContact O-N 3.05Å; Y206-C210 WeakPolarHBondContact O-CB 3.46Å; Y206-C210 PolarHBondContact O-N 3.47Å; Y206-C210 VanDerWaalsContact O-N 3.1Å; Y206-K213 VanDerWaalsContact CE2-CE 3.46Å; Y206-K213 PolarHBondContact OH-NZ 2.91Å; Y206-N238 WeakPolarHBondContact CD2-O 3.35Å; Y206-N238 WeakPolarHBondContact CE2-O 3.43Å; Y206-D239 HydrophobicContact CE2-CB 3.94Å; Y206-D239 WeakPolarHBondContact OH-CB 3.43Å; Y206-E240 PolarHBondContact OH-OE1 2.99Å; Y206-E240 PolarHBondContact OH-OE2 3.25Å; Y206-A265 VanDerWaalsContact CB-O 3.28Å; Y206-A265 WeakPolarHBondContact CB-O 3.49Å; Y206-A265 PolarHBondContact N-O 3.43Å; Y206-D267 HydrophobicContact CD1-CB 4.34Å; Y206-P280 HydrophobicContact CD1-CG 4.21Å; Y206-P280 HydrophobicContact CE1-CG 3.83Å; Y206-L281 HydrophobicContact CD1-CD1 4.13Å; Y206-L281 HydrophobicContact CD1-CG 4.11Å; Y206-L281 HydrophobicContact CD2-CD1 3.64Å; Y206-L281 HydrophobicContact CD2-CD2 4.49Å; Y206-L281 HydrophobicContact CD2-CG 4.31Å; Y206-L281 HydrophobicContact CE1-CD1 4.34Å; Y206-L281 HydrophobicContact CE1-CD2 4.01Å; Y206-L281 HydrophobicContact CE1-CG 3.97Å; Y206-L281 HydrophobicContact CE2-CD1 3.84Å; Y206-L281 HydrophobicContact CE2-CD2 3.86Å; Y206-L281 HydrophobicContact CE2-CG 4.15Å; Y206-L281 HydrophobicContact CG-CD1 3.77Å; Y206-L281 HydrophobicContact CG-CG 4.26Å
207A85Confident80.2Confident21 Ų2160.4 Ų60.417%0.17433%0.333CS..Hα-helixtrans-58-29.1177.100000114.5S205 C210 D267 C272S205-A207 PolarHBondContact O-N 3.26Å; S205-A207 VanDerWaalsContact O-N 3.15Å; A207-C210 PolarHBondContact O-SG 2.86Å; A207-C210 VanDerWaalsContact O-SG 3.33Å; A207-D267 HydrophobicContact CB-CB 4.2Å; A207-C272 VanDerWaalsContact CA-SG 3.59Å
208K86.1Confident79.8Confident147 Ų14760.5 Ų60.564%0.63934%0.339SS*.Hα-helixtrans-83.8-26.7-179.4-74.3176175.71790112.8V204 S205 Y206V204-K208 HydrophobicContact CG1-CB 3.59Å; V204-K208 HydrophobicContact CG1-CD 3.68Å; V204-K208 HydrophobicContact CG1-CG 4.27Å; S205-K208 PolarHBondContact O-N 2.97Å; Y206-K208 PolarHBondContact O-N 3.1Å
209I83.2Confident79.8Confident6 Ų656.2 Ų56.23%0.03132%0.322CS..Hα-helixtrans-101.1-17.3-171.664.4137000112.5A179 V204 Y206 H211 Q212 K213 I235 F237A179-I209 HydrophobicContact CB-CB 4.5Å; A179-I209 HydrophobicContact CB-CD1 3.43Å; A179-I209 VanDerWaalsContact CB-CD1 3.43Å; A179-I209 HydrophobicContact CB-CG1 3.9Å; A179-I209 HydrophobicContact CB-CG2 4.06Å; V204-I209 HydrophobicContact CB-CG2 4.2Å; V204-I209 HydrophobicContact CG1-CG2 3.71Å; Y206-I209 WeakPolarHBondContact O-CG1 3.27Å; Y206-I209 PolarHBondContact O-N 3.05Å; I209-H211 VanDerWaalsContact C-N 3.26Å; I209-H211 PolarHBondContact O-N 2.67Å; I209-H211 VanDerWaalsContact O-N 3.12Å; I209-Q212 WeakPolarHBondContact O-CA 3.4Å; I209-Q212 PolarHBondContact O-N 3.27Å; I209-K213 HydrophobicContact CD1-CG 4.34Å; I209-K213 WeakPolarHBondContact O-CG 3.44Å; I209-K213 PolarHBondContact O-N 3.18Å; I209-I235 HydrophobicContact CB-CD1 3.93Å; I209-I235 HydrophobicContact CD1-CD1 3.98Å; I209-I235 HydrophobicContact CG1-CD1 4.49Å; I209-I235 HydrophobicContact CG2-CD1 3.58Å; I209-F237 HydrophobicContact CD1-CB 3.72Å; I209-F237 HydrophobicContact CD1-CD1 3.8Å; I209-F237 HydrophobicContact CD1-CD2 3.94Å; I209-F237 HydrophobicContact CD1-CE1 4.42Å; I209-F237 HydrophobicContact CD1-CG 3.54Å
210C75.6Confident79.7Confident20 Ų2061.3 Ų61.314%0.13533%0.332CS..THydrogen-bonded Turntrans-59.7-28.5-170.9580000116.1Y206 A207 K213 C272Y206-C210 WeakPolarHBondContact O-CB 3.46Å; Y206-C210 PolarHBondContact O-N 3.47Å; Y206-C210 VanDerWaalsContact O-N 3.1Å; A207-C210 PolarHBondContact O-SG 2.86Å; A207-C210 VanDerWaalsContact O-SG 3.33Å; C210-K213 VanDerWaalsContact CA-CE 3.49Å; C210-C272 HydrophobicContact CB-CB 3.4Å; C210-C272 VanDerWaalsContact CB-CB 3.4Å; C210-C272 WeakPolarHBondContact CB-SG 3.33Å; C210-C272 WeakPolarHBondContact SG-CA 3.5Å; C210-C272 WeakPolarHBondContact SG-CB 3.32Å; C210-C272 CovalentContact SG-SG 2.01Å; C210-C272 PolarHBondContact SG-SG 3.38Å
211H73.3Confident79.5Confident136 Ų13664 Ų6463%0.6335%0.354SS*.THydrogen-bonded Turntrans-80.7-15.3173.2-58.5-58.7000113.8I209 K271I209-H211 VanDerWaalsContact C-N 3.26Å; I209-H211 PolarHBondContact O-N 2.67Å; I209-H211 VanDerWaalsContact O-N 3.12Å; H211-K271 PolarHBondContact CE1-O 2.9Å; H211-K271 VanDerWaalsContact CE1-O 3.3Å; H211-K271 PolarHBondContact NE2-O 3.4Å
212Q69.3Low79.3Confident98 Ų9863.8 Ų63.846%0.45835%0.354SS..SBendtrans-105.36.3-175.9-59.8-177.99.400113.3I209 A214 L229I209-Q212 WeakPolarHBondContact O-CA 3.4Å; I209-Q212 PolarHBondContact O-N 3.27Å; Q212-A214 VanDerWaalsContact C-N 3.29Å; Q212-A214 PolarHBondContact O-N 2.67Å; Q212-L229 HydrophobicContact CB-CD2 3.79Å; Q212-L229 WeakPolarHBondContact O-CD2 3.45Å
213K67.6Low79.4Confident34 Ų3459.8 Ų59.815%0.14834%0.336CS..G310 helixtrans-73.2-13.1-176-66.7177.8-179.1146.50115.3Y206 I209 C210 T215 A216 F237Y206-K213 VanDerWaalsContact CE2-CE 3.46Å; Y206-K213 PolarHBondContact OH-NZ 2.91Å; I209-K213 HydrophobicContact CD1-CG 4.34Å; I209-K213 WeakPolarHBondContact O-CG 3.44Å; I209-K213 PolarHBondContact O-N 3.18Å; C210-K213 VanDerWaalsContact CA-CE 3.49Å; K213-T215 PolarHBondContact O-N 3.27Å; K213-A216 WeakPolarHBondContact O-CB 3.24Å; K213-A216 PolarHBondContact O-N 2.93Å; K213-F237 HydrophobicContact CB-CE2 4.46Å; K213-F237 HydrophobicContact CB-CZ 3.94Å; K213-F237 HydrophobicContact CD-CD2 4.28Å; K213-F237 HydrophobicContact CD-CE2 3.54Å; K213-F237 HydrophobicContact CD-CZ 3.85Å; K213-F237 HydrophobicContact CG-CE1 4.23Å; K213-F237 HydrophobicContact CG-CE2 3.83Å; K213-F237 HydrophobicContact CG-CZ 3.59Å
214A56.7Low79.3Confident103 Ų10356.6 Ų56.685%0.85132%0.319SS*.G310 helixtrans-60.5-18.1-168.800000114.4Q212Q212-A214 VanDerWaalsContact C-N 3.29Å; Q212-A214 PolarHBondContact O-N 2.67Å
215T65.6Low79.3Confident91 Ų9156.7 Ų56.756%0.55832%0.317SS*.G310 helixtrans-97.6-0178.256.80000114.1K213 L228K213-T215 PolarHBondContact O-N 3.27Å; T215-L228 PolarHBondContact OG1-O 2.86Å
216A75.1Confident79.3Confident24 Ų2457.6 Ų57.620%0.19832%0.316CS..PPolyproline II helixtrans-80.4131.4-179.500000111.6K213 Y226 F237K213-A216 WeakPolarHBondContact O-CB 3.24Å; K213-A216 PolarHBondContact O-N 2.93Å; A216-Y226 CarbonylContact C-O 3.54Å; A216-Y226 WeakPolarHBondContact CA-O 3.38Å; A216-F237 HydrophobicContact CB-CE1 3.68Å; A216-F237 HydrophobicContact CB-CZ 3.72Å
217S77.4Confident79.2Confident78 Ų7857.9 Ų57.955%0.54532%0.32SS..EExtended strand (participates in β ladder)trans-88.9140172.6-57.70000110.1K225 Y226S217-K225 WeakPolarHBondContact O-CA 2.84Å; S217-Y226 PolarHBondContact N-O 2.97Å; S217-Y226 PolarHBondContact O-N 3.41Å; S217-Y226 VanDerWaalsContact O-N 3.08Å
218A81.4Confident79.2Confident47 Ų4759.8 Ų59.839%0.38833%0.327SS..EExtended strand (participates in β ladder)trans-91.6122.3172.200000109.6T224 K225 M242A218-T224 CarbonylContact C-O 3.44Å; A218-T224 WeakPolarHBondContact CA-O 3.1Å; A218-K225 HydrophobicContact CB-CG 3.82Å; A218-M242 HydrophobicContact CB-CE 4.12Å
219D82.7Confident78.8Confident36 Ų3653.2 Ų53.219%0.19330%0.299CS..EExtended strand (participates in β ladder)trans-87.3106.1163.6175.116.4000108.8L145 A221 S222 V223 T224 Y226L145-D219 WeakPolarHBondContact CG-OD2 3.39Å; D219-A221 VanDerWaalsContact C-N 3.27Å; D219-A221 PolarHBondContact O-N 2.8Å; D219-A221 WeakPolarHBondContact OD1-CB 3.13Å; D219-A221 PolarHBondContact OD1-N 3.4Å; D219-S222 WeakPolarHBondContact CB-OG 3.19Å; D219-S222 VanDerWaalsContact OD2-CB 3.3Å; D219-S222 WeakPolarHBondContact OD2-CB 3.06Å; D219-S222 PolarHBondContact OD2-OG 2.9Å; D219-V223 WeakPolarHBondContact O-CA 3.07Å; D219-V223 PolarHBondContact O-N 3.48Å; D219-T224 PolarHBondContact N-O 2.87Å; D219-T224 PolarHBondContact O-N 3.22Å; D219-T224 VanDerWaalsContact O-N 3.14Å; D219-Y226 HydrophobicContact CB-CE1 3.98Å
220R78.8Confident78.5Confident220 Ų22055.2 Ų55.283%0.8332%0.321SS*.THydrogen-bonded Turntrans-66.8-26.8-178.8-66.8-174.2178.4175.80.3112.9
221A79.3Confident78.7Confident56 Ų5665.8 Ų65.846%0.46336%0.358SS..THydrogen-bonded Turntrans-71.7-46.5-177.700000111D219D219-A221 VanDerWaalsContact C-N 3.27Å; D219-A221 PolarHBondContact O-N 2.8Å; D219-A221 WeakPolarHBondContact OD1-CB 3.13Å; D219-A221 PolarHBondContact OD1-N 3.4Å
222S84.7Confident79.2Confident0 Ų059.6 Ų59.60%033%0.33CS..THydrogen-bonded Turntrans-85.3-12.6177.463.60000114.1P141 I142 R143 D219 T224P141-S222 CarbonylContact C-O 3.49Å; I142-S222 PolarHBondContact N-O 2.88Å; R143-S222 WeakPolarHBondContact O-CB 3.28Å; D219-S222 WeakPolarHBondContact CB-OG 3.19Å; D219-S222 VanDerWaalsContact OD2-CB 3.3Å; D219-S222 WeakPolarHBondContact OD2-CB 3.06Å; D219-S222 PolarHBondContact OD2-OG 2.9Å; S222-T224 PolarHBondContact OG-OG1 3.02Å
223V89.4Confident80.1Confident14 Ų1459.3 Ų59.39%0.08533%0.325CS..THydrogen-bonded Turntrans57.255.5-173.4-170.20000109.9I142 D219 M242 L245 K246I142-V223 HydrophobicContact CB-CB 4.41Å; I142-V223 HydrophobicContact CB-CG2 4.44Å; I142-V223 HydrophobicContact CD1-CB 3.74Å; I142-V223 HydrophobicContact CD1-CG1 4Å; I142-V223 HydrophobicContact CD1-CG2 3.76Å; I142-V223 HydrophobicContact CG1-CB 3.99Å; I142-V223 HydrophobicContact CG1-CG2 4.32Å; D219-V223 WeakPolarHBondContact O-CA 3.07Å; D219-V223 PolarHBondContact O-N 3.48Å; V223-M242 HydrophobicContact CG1-SD 3.92Å; V223-L245 HydrophobicContact CG1-CB 3.41Å; V223-L245 VanDerWaalsContact CG1-CB 3.41Å; V223-L245 HydrophobicContact CG1-CD1 3.82Å; V223-L245 HydrophobicContact CG1-CG 4.27Å; V223-K246 HydrophobicContact CG1-CG 4.21Å; V223-K246 WeakPolarHBondContact O-CE 3.09Å; V223-K246 PolarHBondContact O-NZ 3.43Å
224T87.5Confident81.2Confident0 Ų057.7 Ų57.70%032%0.318CS..EExtended strand (participates in β ladder)trans-134.2154.2178.964.70000111.7A138 V139 P141 A218 D219 S222 M242A138-T224 HydrophobicContact CB-CG2 3.89Å; V139-T224 WeakPolarHBondContact O-CG2 3.4Å; P141-T224 VanDerWaalsContact CA-CG2 3.44Å; P141-T224 HydrophobicContact CB-CG2 3.77Å; A218-T224 CarbonylContact C-O 3.44Å; A218-T224 WeakPolarHBondContact CA-O 3.1Å; D219-T224 PolarHBondContact N-O 2.87Å; D219-T224 PolarHBondContact O-N 3.22Å; D219-T224 VanDerWaalsContact O-N 3.14Å; S222-T224 PolarHBondContact OG-OG1 3.02Å; T224-M242 PolarHBondContact N-SD 2.84Å
225K89.4Confident82.8Confident26 Ų2653 Ų5311%0.11328%0.279CS..EExtended strand (participates in β ladder)trans-117.5135169.1-83.3176.6179.5171.70110.3S217 A218 S236 F237 D239 E241 M242S217-K225 WeakPolarHBondContact O-CA 2.84Å; A218-K225 HydrophobicContact CB-CG 3.82Å; K225-S236 WeakPolarHBondContact O-CA 2.94Å; K225-S236 PolarHBondContact O-OG 2.59Å; K225-F237 HydrophobicContact CB-CE1 4.41Å; K225-F237 HydrophobicContact CB-CE2 4.12Å; K225-F237 HydrophobicContact CB-CZ 4.02Å; K225-F237 HydrophobicContact CD-CE2 4.24Å; K225-F237 HydrophobicContact CD-CZ 4.43Å; K225-F237 PolarHBondContact O-N 3.01Å; K225-F237 VanDerWaalsContact O-N 3.16Å; K225-D239 WeakPolarHBondContact CD-OD2 3Å; K225-D239 WeakPolarHBondContact CE-OD2 3.1Å; K225-D239 IonicContact NZ-OD1 3.37Å; K225-D239 PolarHBondContact NZ-OD1 3.3Å; K225-D239 IonicContact NZ-OD2 2.61Å; K225-D239 PolarHBondContact NZ-OD2 3.28Å; K225-E241 VanDerWaalsContact CE-OE2 3.26Å; K225-E241 WeakPolarHBondContact CE-OE2 3.35Å; K225-E241 IonicContact NZ-OE2 2.66Å; K225-E241 PolarHBondContact NZ-OE2 2.04Å; K225-M242 HydrophobicContact CB-CG 4.27Å; K225-M242 HydrophobicContact CD-CE 4.01Å; K225-M242 HydrophobicContact CD-CG 4.07Å; K225-M242 HydrophobicContact CG-CE 3.88Å; K225-M242 HydrophobicContact CG-CG 3.99Å; K225-M242 HydrophobicContact CG-SD 4.17Å
226Y88.4Confident84Confident50 Ų5048.7 Ų48.720%0.19625%0.252CS..EExtended strand (participates in β ladder)trans-153.9160.3173.457.2-95.9000111.9A138 L145 V192 A216 S217 D219 W234 I235A138-Y226 HydrophobicContact CB-CD1 4.35Å; L145-Y226 HydrophobicContact CD2-CE1 3.93Å; V192-Y226 HydrophobicContact CG2-CD1 4.03Å; V192-Y226 HydrophobicContact CG2-CD2 4.13Å; V192-Y226 HydrophobicContact CG2-CE1 3.75Å; V192-Y226 HydrophobicContact CG2-CE2 3.85Å; V192-Y226 HydrophobicContact CG2-CG 4.21Å; A216-Y226 CarbonylContact C-O 3.54Å; A216-Y226 WeakPolarHBondContact CA-O 3.38Å; S217-Y226 PolarHBondContact N-O 2.97Å; S217-Y226 PolarHBondContact O-N 3.41Å; S217-Y226 VanDerWaalsContact O-N 3.08Å; D219-Y226 HydrophobicContact CB-CE1 3.98Å; Y226-W234 HydrophobicContact CD1-CZ2 4.32Å; Y226-W234 AromaticContact CD2-CE2 3.92Å; Y226-W234 HydrophobicContact CD2-CH2 4.45Å; Y226-W234 AromaticContact CD2-CZ2 3.46Å; Y226-W234 HydrophobicContact CD2-CZ2 3.46Å; Y226-W234 VanDerWaalsContact CD2-CZ2 3.46Å; Y226-W234 AromaticContact CD2-NE1 3.95Å; Y226-W234 HydrophobicContact CE2-CZ2 4.35Å; Y226-W234 HydrophobicContact CG-CH2 4.01Å; Y226-W234 AromaticContact CG-CZ2 3.45Å; Y226-W234 HydrophobicContact CG-CZ2 3.45Å; Y226-W234 VanDerWaalsContact CG-CZ2 3.45Å; Y226-I235 CarbonylContact C-O 3.56Å; Y226-I235 WeakPolarHBondContact CA-O 3.3Å; Y226-I235 WeakPolarHBondContact CB-O 3.47Å
227G86.9Confident84.7Confident8 Ų847.7 Ų47.78%0.08224%0.244CC..EExtended strand (participates in β ladder)trans-179.4-179.4177.200000114.5W234 I235G227-W234 CarbonylContact O-C 3.53Å; G227-W234 WeakPolarHBondContact O-CA 3.46Å; G227-I235 PolarHBondContact N-O 2.78Å; G227-I235 PolarHBondContact O-N 2.77Å
228L84.5Confident85.4Confident62 Ų6244.1 Ų44.133%0.32522%0.218SC..EExtended strand (participates in β ladder)trans-90.3124.9179.1-146.1100.8000110.6L184 T215 R233L184-L228 HydrophobicContact CD1-CD1 3.7Å; T215-L228 PolarHBondContact OG1-O 2.86Å; L228-R233 CarbonylContact C-O 3.52Å; L228-R233 WeakPolarHBondContact CA-O 2.96Å
229L77.3Confident85.8Confident8 Ų842.4 Ų42.44%0.04220%0.203CC..EExtended strand (participates in β ladder)trans-95.5121.7161.6-63.7176.3000106.6L181 Q212 R233 I235L181-L229 HydrophobicContact CD1-CD1 3.66Å; Q212-L229 HydrophobicContact CB-CD2 3.79Å; Q212-L229 WeakPolarHBondContact O-CD2 3.45Å; L229-R233 CarbonylContact C-O 3.42Å; L229-R233 HydrophobicContact CB-CB 4.05Å; L229-R233 PolarHBondContact N-O 3.11Å; L229-R233 CarbonylContact O-C 3.55Å; L229-R233 WeakPolarHBondContact O-CA 3.22Å; L229-R233 WeakPolarHBondContact O-CB 3.26Å; L229-R233 PolarHBondContact O-N 2.87Å; L229-R233 VanDerWaalsContact O-N 3.12Å; L229-I235 HydrophobicContact CD1-CB 3.82Å; L229-I235 HydrophobicContact CD1-CD1 3.63Å; L229-I235 HydrophobicContact CD1-CG1 4.3Å; L229-I235 HydrophobicContact CD1-CG2 3.89Å; L229-I235 HydrophobicContact CD2-CG2 4.37Å; L229-I235 HydrophobicContact CG-CB 4.18Å; L229-I235 HydrophobicContact CG-CG2 3.8Å
230G76.8Confident86.1Confident48 Ų4843.1 Ų43.150%0.49521%0.205SC..THydrogen-bonded Turntrans-43153.8-170.800000115.7R233G230-R233 PolarHBondContact O-NE 2.85Å
231R80Confident86.6Confident243 Ų24334.1 Ų34.192%0.91717%0.172SC*.THydrogen-bonded Turntrans73.242.3-170.4-49178.3-178.2-178.1-0.8114.3R233R231-R233 VanDerWaalsContact C-N 3.25Å; R231-R233 PolarHBondContact O-N 3.12Å
232G83.8Confident87.2Confident5 Ų531.7 Ų31.75%0.05215%0.151CC..THydrogen-bonded Turntrans67.820174.100000114.8L184L184-G232 WeakPolarHBondContact CB-O 3.4Å; L184-G232 WeakPolarHBondContact CG-O 3.29Å; L184-G232 PolarHBondContact N-O 3.32Å
233R88.9Confident87.5Confident92 Ų9231.7 Ų31.735%0.34715%0.151SC..EExtended strand (participates in β ladder)trans-92.9132174.1-62.5178.2-66.3158.53.8108.8F182 V183 L228 L229 G230 R231F182-R233 CarbonylContact O-C 3.53Å; F182-R233 VanDerWaalsContact O-CA 3.27Å; F182-R233 WeakPolarHBondContact O-CA 3.26Å; V183-R233 HydrophobicContact CG2-CG 4.5Å; L228-R233 CarbonylContact C-O 3.52Å; L228-R233 WeakPolarHBondContact CA-O 2.96Å; L229-R233 CarbonylContact C-O 3.42Å; L229-R233 HydrophobicContact CB-CB 4.05Å; L229-R233 PolarHBondContact N-O 3.11Å; L229-R233 CarbonylContact O-C 3.55Å; L229-R233 WeakPolarHBondContact O-CA 3.22Å; L229-R233 WeakPolarHBondContact O-CB 3.26Å; L229-R233 PolarHBondContact O-N 2.87Å; L229-R233 VanDerWaalsContact O-N 3.12Å; G230-R233 PolarHBondContact O-NE 2.85Å; R231-R233 VanDerWaalsContact C-N 3.25Å; R231-R233 PolarHBondContact O-N 3.12Å
234W90Very high87.6Confident1 Ų131 Ų310%0.00415%0.147CC..EExtended strand (participates in β ladder)trans-114.9139.5178.1-173.899.5000108.3T136 Y137 L181 F182 L184 S190 V192 Y226 G227T136-W234 HydrophobicContact CG2-CB 4.08Å; T136-W234 HydrophobicContact CG2-CD2 3.71Å; T136-W234 HydrophobicContact CG2-CE3 3.71Å; T136-W234 HydrophobicContact CG2-CG 3.91Å; T136-W234 HydrophobicContact CG2-CZ3 4.33Å; Y137-W234 VanDerWaalsContact O-CH2 3.27Å; Y137-W234 WeakPolarHBondContact O-CH2 3.46Å; Y137-W234 VanDerWaalsContact O-CZ3 3.24Å; Y137-W234 WeakPolarHBondContact O-CZ3 3.5Å; L181-W234 CarbonylContact C-O 3.54Å; L181-W234 WeakPolarHBondContact CA-O 3.42Å; F182-W234 HydrophobicContact CB-CB 4.41Å; F182-W234 HydrophobicContact CB-CE3 4.47Å; F182-W234 AromaticContact CD2-CE3 3.45Å; F182-W234 HydrophobicContact CD2-CE3 3.45Å; F182-W234 VanDerWaalsContact CD2-CE3 3.45Å; F182-W234 AromaticContact CD2-CZ3 3.72Å; F182-W234 HydrophobicContact CD2-CZ3 3.72Å; F182-W234 AromaticContact CE2-CE3 3.9Å; F182-W234 HydrophobicContact CE2-CE3 3.9Å; F182-W234 AromaticContact CE2-CZ3 3.64Å; F182-W234 HydrophobicContact CE2-CZ3 3.64Å; F182-W234 HydrophobicContact CG-CE3 4.19Å; F182-W234 PolarHBondContact N-O 2.9Å; F182-W234 PolarHBondContact O-N 3.33Å; L184-W234 HydrophobicContact CD1-CB 4.07Å; L184-W234 HydrophobicContact CD2-CB 3.98Å; L184-W234 HydrophobicContact CG-CB 3.94Å; S190-W234 VanDerWaalsContact O-CD1 3.26Å; S190-W234 PolarHBondContact O-NE1 2.93Å; V192-W234 HydrophobicContact CG2-CH2 4.12Å; V192-W234 HydrophobicContact CG2-CZ2 3.64Å; Y226-W234 HydrophobicContact CD1-CZ2 4.32Å; Y226-W234 AromaticContact CD2-CE2 3.92Å; Y226-W234 HydrophobicContact CD2-CH2 4.45Å; Y226-W234 AromaticContact CD2-CZ2 3.46Å; Y226-W234 HydrophobicContact CD2-CZ2 3.46Å; Y226-W234 VanDerWaalsContact CD2-CZ2 3.46Å; Y226-W234 AromaticContact CD2-NE1 3.95Å; Y226-W234 HydrophobicContact CE2-CZ2 4.35Å; Y226-W234 HydrophobicContact CG-CH2 4.01Å; Y226-W234 AromaticContact CG-CZ2 3.45Å; Y226-W234 HydrophobicContact CG-CZ2 3.45Å; Y226-W234 VanDerWaalsContact CG-CZ2 3.45Å; G227-W234 CarbonylContact O-C 3.53Å; G227-W234 WeakPolarHBondContact O-CA 3.46Å
235I90.7Very high87.8Confident5 Ų533 Ų333%0.02616%0.158CC..EExtended strand (participates in β ladder)trans-129.4142.5-175.8-165.7168.5000110.5A179 H180 I209 Y226 G227 L229 F237A179-I235 HydrophobicContact CB-CD1 3.74Å; A179-I235 HydrophobicContact CB-CG1 4Å; H180-I235 WeakPolarHBondContact O-CA 3.04Å; I209-I235 HydrophobicContact CB-CD1 3.93Å; I209-I235 HydrophobicContact CD1-CD1 3.98Å; I209-I235 HydrophobicContact CG1-CD1 4.49Å; I209-I235 HydrophobicContact CG2-CD1 3.58Å; Y226-I235 CarbonylContact C-O 3.56Å; Y226-I235 WeakPolarHBondContact CA-O 3.3Å; Y226-I235 WeakPolarHBondContact CB-O 3.47Å; G227-I235 PolarHBondContact N-O 2.78Å; G227-I235 PolarHBondContact O-N 2.77Å; L229-I235 HydrophobicContact CD1-CB 3.82Å; L229-I235 HydrophobicContact CD1-CD1 3.63Å; L229-I235 HydrophobicContact CD1-CG1 4.3Å; L229-I235 HydrophobicContact CD1-CG2 3.89Å; L229-I235 HydrophobicContact CD2-CG2 4.37Å; L229-I235 HydrophobicContact CG-CB 4.18Å; L229-I235 HydrophobicContact CG-CG2 3.8Å; I235-F237 HydrophobicContact CD1-CD1 4.39Å; I235-F237 HydrophobicContact CG1-CD1 4.14Å; I235-F237 HydrophobicContact CG2-CD1 4.26Å; I235-F237 HydrophobicContact CG2-CE1 4.21Å
236S90.8Very high88Confident0 Ų031.9 Ų31.90%015%0.153CC..EExtended strand (participates in β ladder)trans-131.5143163.6-175.30000110.7A138 V139 A179 H180 K225A138-S236 WeakPolarHBondContact CA-OG 3.45Å; V139-S236 WeakPolarHBondContact CG2-O 3.29Å; V139-S236 PolarHBondContact N-OG 3.18Å; A179-S236 CarbonylContact C-O 3.37Å; A179-S236 WeakPolarHBondContact CA-O 3.42Å; H180-S236 PolarHBondContact N-O 2.99Å; H180-S236 PolarHBondContact O-N 3.11Å; K225-S236 WeakPolarHBondContact O-CA 2.94Å; K225-S236 PolarHBondContact O-OG 2.59Å
237F90.9Very high88.2Confident3 Ų329.5 Ų29.51%0.01314%0.143CC..EExtended strand (participates in β ladder)trans-158.6162-172.358.7-86.6000112.4A179 I209 K213 A216 K225 I235 D239A179-F237 HydrophobicContact CB-CB 3.72Å; I209-F237 HydrophobicContact CD1-CB 3.72Å; I209-F237 HydrophobicContact CD1-CD1 3.8Å; I209-F237 HydrophobicContact CD1-CD2 3.94Å; I209-F237 HydrophobicContact CD1-CE1 4.42Å; I209-F237 HydrophobicContact CD1-CG 3.54Å; K213-F237 HydrophobicContact CB-CE2 4.46Å; K213-F237 HydrophobicContact CB-CZ 3.94Å; K213-F237 HydrophobicContact CD-CD2 4.28Å; K213-F237 HydrophobicContact CD-CE2 3.54Å; K213-F237 HydrophobicContact CD-CZ 3.85Å; K213-F237 HydrophobicContact CG-CE1 4.23Å; K213-F237 HydrophobicContact CG-CE2 3.83Å; K213-F237 HydrophobicContact CG-CZ 3.59Å; A216-F237 HydrophobicContact CB-CE1 3.68Å; A216-F237 HydrophobicContact CB-CZ 3.72Å; K225-F237 HydrophobicContact CB-CE1 4.41Å; K225-F237 HydrophobicContact CB-CE2 4.12Å; K225-F237 HydrophobicContact CB-CZ 4.02Å; K225-F237 HydrophobicContact CD-CE2 4.24Å; K225-F237 HydrophobicContact CD-CZ 4.43Å; K225-F237 PolarHBondContact O-N 3.01Å; K225-F237 VanDerWaalsContact O-N 3.16Å; I235-F237 HydrophobicContact CD1-CD1 4.39Å; I235-F237 HydrophobicContact CG1-CD1 4.14Å; I235-F237 HydrophobicContact CG2-CD1 4.26Å; I235-F237 HydrophobicContact CG2-CE1 4.21Å; F237-D239 HydrophobicContact CD2-CB 4.07Å; F237-D239 HydrophobicContact CE2-CB 3.87Å
238N91Very high88.2Confident2 Ų230 Ų301%0.01114%0.144CC..  trans-92.1129.7162.8-69-57.3000109.4D140 S176 Y206 V243 K246D140-N238 PolarHBondContact OD2-ND2 2.69Å; S176-N238 PolarHBondContact O-ND2 3.03Å; Y206-N238 WeakPolarHBondContact CD2-O 3.35Å; Y206-N238 WeakPolarHBondContact CE2-O 3.43Å; N238-V243 HydrophobicContact CB-CG2 3.96Å; N238-K246 PolarHBondContact OD1-NZ 3.02Å
239D89.7Confident88.6Confident12 Ų1227.5 Ų27.56%0.06413%0.13CC..  trans-115.5-176165.568.31.8000111.6Y206 K225 F237 E241 M242 V243Y206-D239 HydrophobicContact CE2-CB 3.94Å; Y206-D239 WeakPolarHBondContact OH-CB 3.43Å; K225-D239 WeakPolarHBondContact CD-OD2 3Å; K225-D239 WeakPolarHBondContact CE-OD2 3.1Å; K225-D239 IonicContact NZ-OD1 3.37Å; K225-D239 PolarHBondContact NZ-OD1 3.3Å; K225-D239 IonicContact NZ-OD2 2.61Å; K225-D239 PolarHBondContact NZ-OD2 3.28Å; F237-D239 HydrophobicContact CD2-CB 4.07Å; F237-D239 HydrophobicContact CE2-CB 3.87Å; D239-E241 PolarHBondContact O-N 3.35Å; D239-E241 PolarHBondContact OD1-N 2.73Å; D239-M242 PolarHBondContact O-N 2.61Å; D239-M242 WeakPolarHBondContact OD1-CG 3.41Å; D239-M242 PolarHBondContact OD1-N 3.16Å; D239-V243 WeakPolarHBondContact O-CB 3.22Å; D239-V243 WeakPolarHBondContact O-CG2 3.46Å; D239-V243 PolarHBondContact O-N 3.38Å
240E89.7Confident89.3Confident50 Ų5027.3 Ų27.323%0.23413%0.129CC..Hα-helixtrans-56.9-41.1-176.7-58.382-177.800111.1Y206 Q244 P280 L281 T284Y206-E240 PolarHBondContact OH-OE1 2.99Å; Y206-E240 PolarHBondContact OH-OE2 3.25Å; E240-Q244 VanDerWaalsContact O-CB 3.29Å; E240-Q244 WeakPolarHBondContact O-CB 3.22Å; E240-Q244 PolarHBondContact O-N 3.42Å; E240-P280 HydrophobicContact CG-CB 4.28Å; E240-L281 HydrophobicContact CG-CD2 4.26Å; E240-T284 HydrophobicContact CB-CG2 4.23Å; E240-T284 VanDerWaalsContact O-CG2 3.25Å; E240-T284 WeakPolarHBondContact O-CG2 3.16Å
241E89Confident89.6Confident32 Ų3227.6 Ų27.615%0.1512%0.117CC..Hα-helixtrans-64.7-46.9177.7-173.3-176.4-170.600111.6K225 D239 Q244 L245 I552K225-E241 VanDerWaalsContact CE-OE2 3.26Å; K225-E241 WeakPolarHBondContact CE-OE2 3.35Å; K225-E241 IonicContact NZ-OE2 2.66Å; K225-E241 PolarHBondContact NZ-OE2 2.04Å; D239-E241 PolarHBondContact O-N 3.35Å; D239-E241 PolarHBondContact OD1-N 2.73Å; E241-Q244 PolarHBondContact O-N 2.81Å; E241-L245 HydrophobicContact CG-CD1 4.28Å; E241-L245 WeakPolarHBondContact O-CG 3.38Å; E241-L245 PolarHBondContact O-N 3.45Å; E241-I552 WeakPolarHBondContact OE1-CD1 3.26Å
242M91.4Very high90Very high4 Ų420.3 Ų20.32%0.029%0.094CC..Hα-helixtrans-67.4-38.1179.1-63.3-58.8118.500112.4A218 V223 T224 K225 D239 L245 K246A218-M242 HydrophobicContact CB-CE 4.12Å; V223-M242 HydrophobicContact CG1-SD 3.92Å; T224-M242 PolarHBondContact N-SD 2.84Å; K225-M242 HydrophobicContact CB-CG 4.27Å; K225-M242 HydrophobicContact CD-CE 4.01Å; K225-M242 HydrophobicContact CD-CG 4.07Å; K225-M242 HydrophobicContact CG-CE 3.88Å; K225-M242 HydrophobicContact CG-CG 3.99Å; K225-M242 HydrophobicContact CG-SD 4.17Å; D239-M242 PolarHBondContact O-N 2.61Å; D239-M242 WeakPolarHBondContact OD1-CG 3.41Å; D239-M242 PolarHBondContact OD1-N 3.16Å; M242-L245 HydrophobicContact CE-CD1 4.33Å; M242-K246 WeakPolarHBondContact O-CB 3.49Å; M242-K246 WeakPolarHBondContact O-CG 3.23Å; M242-K246 PolarHBondContact O-N 3.09Å
243V91.9Very high90.1Very high0 Ų024.6 Ų24.60%011%0.108CC..Hα-helixtrans-66.3-41.9176171.70000110.8N238 D239 K246 T247 L281 T284 A285N238-V243 HydrophobicContact CB-CG2 3.96Å; D239-V243 WeakPolarHBondContact O-CB 3.22Å; D239-V243 WeakPolarHBondContact O-CG2 3.46Å; D239-V243 PolarHBondContact O-N 3.38Å; V243-K246 PolarHBondContact O-N 3.16Å; V243-T247 VanDerWaalsContact O-CB 3.29Å; V243-T247 WeakPolarHBondContact O-CB 3.33Å; V243-T247 PolarHBondContact O-N 2.75Å; V243-T247 PolarHBondContact O-OG1 2.85Å; V243-L281 HydrophobicContact CG2-CB 4.38Å; V243-L281 HydrophobicContact CG2-CD2 4.03Å; V243-T284 HydrophobicContact CG1-CG2 4.42Å; V243-A285 HydrophobicContact CG1-CB 3.77Å
244Q91.4Very high90.1Very high1 Ų122.4 Ų22.41%0.00511%0.114CC..Hα-helixtrans-55.8-56.6173.7166.7175.36.900110.9E240 E241 K246 T247 E248 T284 H288 R550E240-Q244 VanDerWaalsContact O-CB 3.29Å; E240-Q244 WeakPolarHBondContact O-CB 3.22Å; E240-Q244 PolarHBondContact O-N 3.42Å; E241-Q244 PolarHBondContact O-N 2.81Å; Q244-K246 VanDerWaalsContact C-N 3.31Å; Q244-K246 PolarHBondContact O-N 3.46Å; Q244-T247 WeakPolarHBondContact O-CA 3.42Å; Q244-T247 WeakPolarHBondContact O-CB 3Å; Q244-T247 PolarHBondContact O-N 2.81Å; Q244-E248 WeakPolarHBondContact CG-OE1 3.37Å; Q244-E248 PolarHBondContact NE2-OE1 3.01Å; Q244-E248 WeakPolarHBondContact O-CG 3.32Å; Q244-E248 PolarHBondContact O-N 3.06Å; Q244-T284 HydrophobicContact CB-CG2 3.97Å; Q244-H288 WeakPolarHBondContact CG-NE2 3.33Å; Q244-H288 PolarHBondContact NE2-NE2 3.33Å; Q244-R550 VanDerWaalsContact NE2-NH2 3.18Å
245L91.4Very high90.2Very high42 Ų4223.1 Ų23.122%0.2212%0.118CC..Hα-helixtrans-63.3-36.5-175.9-68.6171000112.4V223 E241 M242 T247 W249V223-L245 HydrophobicContact CG1-CB 3.41Å; V223-L245 VanDerWaalsContact CG1-CB 3.41Å; V223-L245 HydrophobicContact CG1-CD1 3.82Å; V223-L245 HydrophobicContact CG1-CG 4.27Å; E241-L245 HydrophobicContact CG-CD1 4.28Å; E241-L245 WeakPolarHBondContact O-CG 3.38Å; E241-L245 PolarHBondContact O-N 3.45Å; M242-L245 HydrophobicContact CE-CD1 4.33Å; L245-T247 VanDerWaalsContact C-N 3.31Å; L245-W249 WeakPolarHBondContact O-CB 3.2Å; L245-W249 PolarHBondContact O-N 2.93Å; L245-W249 VanDerWaalsContact O-N 3.1Å
246K93.9Very high90.3Very high2 Ų227.2 Ų27.21%0.00913%0.133CC..Hα-helixtrans-68.7-31.8173.8-71.2173-166.1-171.80112.1V139 D140 I142 L175 V223 N238 M242 V243 Q244 V250V139-K246 PolarHBondContact O-NZ 3.43Å; D140-K246 HydrophobicContact CB-CD 4.44Å; D140-K246 WeakPolarHBondContact O-CE 3.47Å; D140-K246 PolarHBondContact O-NZ 3.24Å; I142-K246 HydrophobicContact CD1-CB 4.34Å; I142-K246 HydrophobicContact CD1-CG 3.68Å; I142-K246 HydrophobicContact CG1-CG 3.76Å; L175-K246 HydrophobicContact CD1-CB 3.87Å; L175-K246 HydrophobicContact CD1-CD 4.21Å; L175-K246 HydrophobicContact CD2-CB 4.29Å; L175-K246 HydrophobicContact CD2-CD 3.64Å; L175-K246 HydrophobicContact CD2-CG 4.44Å; V223-K246 HydrophobicContact CG1-CG 4.21Å; V223-K246 WeakPolarHBondContact O-CE 3.09Å; V223-K246 PolarHBondContact O-NZ 3.43Å; N238-K246 PolarHBondContact OD1-NZ 3.02Å; M242-K246 WeakPolarHBondContact O-CB 3.49Å; M242-K246 WeakPolarHBondContact O-CG 3.23Å; M242-K246 PolarHBondContact O-N 3.09Å; V243-K246 PolarHBondContact O-N 3.16Å; Q244-K246 VanDerWaalsContact C-N 3.31Å; Q244-K246 PolarHBondContact O-N 3.46Å; K246-V250 VanDerWaalsContact O-CG2 3.26Å; K246-V250 WeakPolarHBondContact O-CG2 3.33Å; K246-V250 PolarHBondContact O-N 3.33Å; K246-V250 VanDerWaalsContact O-N 3.16Å
247T91.5Very high90.3Very high0 Ų027.8 Ų27.80%014%0.139CC..Hα-helixtrans-69.6-46.9176.5-600000111.9V243 Q244 L245 W249 V250 Q251 I258 H288 L289V243-T247 VanDerWaalsContact O-CB 3.29Å; V243-T247 WeakPolarHBondContact O-CB 3.33Å; V243-T247 PolarHBondContact O-N 2.75Å; V243-T247 PolarHBondContact O-OG1 2.85Å; Q244-T247 WeakPolarHBondContact O-CA 3.42Å; Q244-T247 WeakPolarHBondContact O-CB 3Å; Q244-T247 PolarHBondContact O-N 2.81Å; L245-T247 VanDerWaalsContact C-N 3.31Å; T247-W249 VanDerWaalsContact C-N 3.33Å; T247-W249 PolarHBondContact O-N 3.47Å; T247-V250 WeakPolarHBondContact O-CB 3.38Å; T247-V250 PolarHBondContact O-N 3.31Å; T247-Q251 PolarHBondContact O-N 2.93Å; T247-I258 VanDerWaalsContact CA-CD1 3.48Å; T247-I258 HydrophobicContact CG2-CD1 3.72Å; T247-I258 WeakPolarHBondContact OG1-CD1 3.39Å; T247-H288 HydrophobicContact CG2-CB 3.55Å; T247-L289 HydrophobicContact CG2-CB 4.39Å; T247-L289 HydrophobicContact CG2-CD2 3.75Å; T247-L289 HydrophobicContact CG2-CG 3.57Å
248E88.2Confident90.5Very high18 Ų1829 Ų298%0.08415%0.145CC..Hα-helixtrans-57-47.4174.8-68.4166.8-174.600110.2Q244 V250 Q251 E252 H288 Q541 R550Q244-E248 WeakPolarHBondContact CG-OE1 3.37Å; Q244-E248 PolarHBondContact NE2-OE1 3.01Å; Q244-E248 WeakPolarHBondContact O-CG 3.32Å; Q244-E248 PolarHBondContact O-N 3.06Å; E248-V250 VanDerWaalsContact C-N 3.31Å; E248-V250 PolarHBondContact O-N 3.34Å; E248-Q251 WeakPolarHBondContact O-CB 3.48Å; E248-Q251 PolarHBondContact O-N 3.19Å; E248-E252 WeakPolarHBondContact O-CG 2.98Å; E248-E252 PolarHBondContact O-N 2.88Å; E248-H288 IonicContact OE1-CD2 3.37Å; E248-Q541 PolarHBondContact OE2-NE2 3.21Å; E248-Q541 PolarHBondContact OE2-OE1 2.65Å; E248-R550 IonicContact OE1-NH2 2.72Å; E248-R550 IonicContact OE2-NH2 3.98Å
249W92Very high90.6Very high10 Ų1030 Ų304%0.03815%0.154CC..Hα-helixtrans-59.1-37.1176.8-175.985000114I142 I154 D155 V158 I173 L245 T247 Q251 R253 L255I142-W249 HydrophobicContact CD1-CB 3.75Å; I142-W249 HydrophobicContact CD1-CD2 4.39Å; I142-W249 HydrophobicContact CD1-CG 3.85Å; I142-W249 HydrophobicContact CG2-CD2 3.79Å; I142-W249 HydrophobicContact CG2-CG 3.84Å; I142-W249 HydrophobicContact CG2-CZ2 4.17Å; I154-W249 HydrophobicContact CG2-CE3 4.39Å; I154-W249 HydrophobicContact CG2-CH2 3.79Å; I154-W249 HydrophobicContact CG2-CZ3 3.54Å; D155-W249 HydrophobicContact CB-CH2 4.41Å; D155-W249 HydrophobicContact CB-CZ2 3.75Å; V158-W249 HydrophobicContact CB-CH2 4.19Å; V158-W249 HydrophobicContact CG1-CH2 4.36Å; V158-W249 HydrophobicContact CG2-CH2 3.99Å; V158-W249 HydrophobicContact CG2-CZ3 4.38Å; I173-W249 HydrophobicContact CG1-CZ3 4.27Å; L245-W249 WeakPolarHBondContact O-CB 3.2Å; L245-W249 PolarHBondContact O-N 2.93Å; L245-W249 VanDerWaalsContact O-N 3.1Å; T247-W249 VanDerWaalsContact C-N 3.33Å; T247-W249 PolarHBondContact O-N 3.47Å; W249-Q251 VanDerWaalsContact C-N 3.33Å; W249-R253 HydrophobicContact CD2-CG 4.09Å; W249-R253 HydrophobicContact CE3-CG 4.42Å; W249-R253 HydrophobicContact CH2-CG 4.13Å; W249-R253 HydrophobicContact CZ2-CG 3.76Å; W249-R253 HydrophobicContact CZ3-CG 4.43Å; W249-R253 WeakPolarHBondContact O-CB 3.12Å; W249-R253 WeakPolarHBondContact O-CG 3.08Å; W249-R253 PolarHBondContact O-N 2.63Å; W249-R253 VanDerWaalsContact O-N 3.12Å; W249-L255 HydrophobicContact CE3-CD1 4.41Å; W249-L255 HydrophobicContact CH2-CD1 4.26Å; W249-L255 HydrophobicContact CZ3-CD1 3.66Å
250V91.7Very high90.7Very high3 Ų331.1 Ų31.12%0.01816%0.16CC..Hα-helixtrans-65-39.1176.6165.20000111.2I173 K246 T247 E248 G254 L255 I258I173-V250 HydrophobicContact CB-CG2 3.82Å; I173-V250 HydrophobicContact CG1-CG2 3.6Å; I173-V250 HydrophobicContact CG2-CG2 4.43Å; K246-V250 VanDerWaalsContact O-CG2 3.26Å; K246-V250 WeakPolarHBondContact O-CG2 3.33Å; K246-V250 PolarHBondContact O-N 3.33Å; K246-V250 VanDerWaalsContact O-N 3.16Å; T247-V250 WeakPolarHBondContact O-CB 3.38Å; T247-V250 PolarHBondContact O-N 3.31Å; E248-V250 VanDerWaalsContact C-N 3.31Å; E248-V250 PolarHBondContact O-N 3.34Å; V250-G254 PolarHBondContact O-N 3.14Å; V250-L255 HydrophobicContact CG1-CB 3.97Å; V250-L255 HydrophobicContact CG2-CD1 4.4Å; V250-L255 PolarHBondContact O-N 2.96Å; V250-L255 VanDerWaalsContact O-N 3.14Å; V250-I258 HydrophobicContact CB-CG1 4.22Å; V250-I258 HydrophobicContact CG1-CG1 4.02Å; V250-I258 HydrophobicContact CG2-CG1 4Å
251Q84.7Confident90.7Very high54 Ų5432 Ų3225%0.25217%0.172SC..Hα-helixtrans-69.8-46.9176.8-65.8-179-53.700111.6T247 E248 W249 R253 G254 H288 L289 H290T247-Q251 PolarHBondContact O-N 2.93Å; E248-Q251 WeakPolarHBondContact O-CB 3.48Å; E248-Q251 PolarHBondContact O-N 3.19Å; W249-Q251 VanDerWaalsContact C-N 3.33Å; Q251-R253 PolarHBondContact O-N 2.89Å; Q251-G254 PolarHBondContact O-N 2.63Å; Q251-H288 PolarHBondContact NE2-O 3.28Å; Q251-H288 PolarHBondContact OE1-O 2.94Å; Q251-L289 HydrophobicContact CG-CD2 4.42Å; Q251-H290 PolarHBondContact NE2-O 3.25Å
252E86.7Confident90.7Very high91 Ų9132.2 Ų32.243%0.42518%0.175SC..Hα-helixtrans-54.4-37.4176.4-72.7163.3-152.500112.1E248 G254 E537E248-E252 WeakPolarHBondContact O-CG 2.98Å; E248-E252 PolarHBondContact O-N 2.88Å; E252-G254 VanDerWaalsContact C-N 3.3Å; E252-G254 PolarHBondContact O-N 3Å; E252-E537 WeakPolarHBondContact CG-OE1 3.21Å; E252-E537 VanDerWaalsContact OE1-OE1 3.1Å
253R87.7Confident90.5Very high94 Ų9436.5 Ų36.536%0.35520%0.197SC..THydrogen-bonded Turntrans-83.92.4179.5-67.9-60.3-173.799.15.6114.4D155 W249 Q251 L255D155-R253 IonicContact OD1-CZ 2.68Å; D155-R253 IonicContact OD1-NH1 3.82Å; D155-R253 PolarHBondContact OD1-NH1 3.4Å; D155-R253 IonicContact OD1-NH2 3.22Å; D155-R253 PolarHBondContact OD1-NH2 2.83Å; D155-R253 IonicContact OD2-NH2 3.01Å; D155-R253 PolarHBondContact OD2-NH2 3.07Å; D155-R253 VanDerWaalsContact OD2-NH2 3.08Å; W249-R253 HydrophobicContact CD2-CG 4.09Å; W249-R253 HydrophobicContact CE3-CG 4.42Å; W249-R253 HydrophobicContact CH2-CG 4.13Å; W249-R253 HydrophobicContact CZ2-CG 3.76Å; W249-R253 HydrophobicContact CZ3-CG 4.43Å; W249-R253 WeakPolarHBondContact O-CB 3.12Å; W249-R253 WeakPolarHBondContact O-CG 3.08Å; W249-R253 PolarHBondContact O-N 2.63Å; W249-R253 VanDerWaalsContact O-N 3.12Å; Q251-R253 PolarHBondContact O-N 2.89Å; R253-L255 HydrophobicContact CB-CD1 4.11Å; R253-L255 HydrophobicContact CB-CD2 4.08Å; R253-L255 HydrophobicContact CB-CG 3.7Å; R253-L255 PolarHBondContact O-N 2.95Å
254G87.1Confident90.4Very high46 Ų4642.2 Ų42.247%0.47423%0.228SC..THydrogen-bonded Turntrans59.729.7-179.800000113V250 Q251 E252V250-G254 PolarHBondContact O-N 3.14Å; Q251-G254 PolarHBondContact O-N 2.63Å; E252-G254 VanDerWaalsContact C-N 3.3Å; E252-G254 PolarHBondContact O-N 3Å
255L93.2Very high90.3Very high17 Ų1742.3 Ų42.39%0.08923%0.229CC..  trans-77.6165.8179.2-53.5-176.4000110.1V158 A168 L171 I173 W249 V250 R253 G257V158-L255 HydrophobicContact CG1-CD1 4.21Å; V158-L255 HydrophobicContact CG1-CD2 3.85Å; V158-L255 HydrophobicContact CG2-CD1 4.26Å; A168-L255 HydrophobicContact CB-CD2 4.05Å; A168-L255 WeakPolarHBondContact O-CA 3.11Å; L171-L255 HydrophobicContact CB-CD2 4.32Å; I173-L255 HydrophobicContact CD1-CD1 3.79Å; I173-L255 HydrophobicContact CG1-CD1 3.61Å; W249-L255 HydrophobicContact CE3-CD1 4.41Å; W249-L255 HydrophobicContact CH2-CD1 4.26Å; W249-L255 HydrophobicContact CZ3-CD1 3.66Å; V250-L255 HydrophobicContact CG1-CB 3.97Å; V250-L255 HydrophobicContact CG2-CD1 4.4Å; V250-L255 PolarHBondContact O-N 2.96Å; V250-L255 VanDerWaalsContact O-N 3.14Å; R253-L255 HydrophobicContact CB-CD1 4.11Å; R253-L255 HydrophobicContact CB-CD2 4.08Å; R253-L255 HydrophobicContact CB-CG 3.7Å; R253-L255 PolarHBondContact O-N 2.95Å; L255-G257 VanDerWaalsContact C-N 3.33Å; L255-G257 PolarHBondContact O-N 2.97Å
256R91.6Very high90.3Very high91 Ų9140.5 Ų40.534%0.34322%0.219SC..  trans-69.2-29.7-174.8-165.8173.2150.1163.7-3.5113.8W96 D121 F122 S169 L171 V172W96-R256 VanDerWaalsContact CZ3-CZ 3.45Å; D121-R256 VanDerWaalsContact CB-NH1 3.33Å; D121-R256 PolarHBondContact O-NH1 3.4Å; F122-R256 VanDerWaalsContact CD1-NH1 3.3Å; S169-R256 VanDerWaalsContact O-CB 3.24Å; S169-R256 WeakPolarHBondContact O-CB 3.44Å; S169-R256 WeakPolarHBondContact O-CD 3.35Å; S169-R256 VanDerWaalsContact O-CG 3.32Å; S169-R256 WeakPolarHBondContact O-CG 3.37Å; L171-R256 WeakPolarHBondContact O-CA 3.41Å; L171-R256 WeakPolarHBondContact O-CB 3.33Å; L171-R256 PolarHBondContact O-N 2.92Å; V172-R256 HydrophobicContact CG2-CB 3.84Å; V172-R256 HydrophobicContact CG2-CG 4.19Å
257G92Very high89.9Confident11 Ų1140.5 Ų40.511%0.11322%0.22CC..EExtended strand (participates in β ladder)trans151.8-159.3-179.600000113.2V172 I173 L255V172-G257 WeakPolarHBondContact CA-O 3.46Å; I173-G257 PolarHBondContact N-O 3.07Å; L255-G257 VanDerWaalsContact C-N 3.33Å; L255-G257 PolarHBondContact O-N 2.97Å
258I93.8Very high89.6Confident29 Ų2942.7 Ų42.715%0.14924%0.238CC..EExtended strand (participates in β ladder)trans-121.7144.6-175.4-57.3169.4000110I173 L175 T247 V250 L260 L289I173-I258 CarbonylContact O-C 3.57Å; I173-I258 VanDerWaalsContact O-CA 3.27Å; I173-I258 WeakPolarHBondContact O-CA 3.37Å; I173-I258 WeakPolarHBondContact O-CG2 3.37Å; L175-I258 HydrophobicContact CD1-CG2 3.79Å; L175-I258 HydrophobicContact CG-CG2 3.92Å; T247-I258 VanDerWaalsContact CA-CD1 3.48Å; T247-I258 HydrophobicContact CG2-CD1 3.72Å; T247-I258 WeakPolarHBondContact OG1-CD1 3.39Å; V250-I258 HydrophobicContact CB-CG1 4.22Å; V250-I258 HydrophobicContact CG1-CG1 4.02Å; V250-I258 HydrophobicContact CG2-CG1 4Å; I258-L260 HydrophobicContact CG2-CD2 4.03Å; I258-L260 HydrophobicContact CG2-CG 4.23Å; I258-L289 HydrophobicContact CB-CD1 4.2Å; I258-L289 HydrophobicContact CD1-CD1 4.06Å; I258-L289 HydrophobicContact CD1-CD2 4.03Å; I258-L289 HydrophobicContact CD1-CG 4.13Å; I258-L289 HydrophobicContact CG1-CD1 4.27Å; I258-L289 HydrophobicContact CG1-CD2 4.26Å
259A93.8Very high89.3Confident23 Ų2345.2 Ų45.219%0.1926%0.262CS..EExtended strand (participates in β ladder)trans-112.1125.4165.200000108.8I124 V172 I173 G174 L175I124-A259 HydrophobicContact CD1-CB 4.13Å; I124-A259 HydrophobicContact CG1-CB 4.47Å; I124-A259 HydrophobicContact CG2-CB 3.73Å; V172-A259 HydrophobicContact CG1-CB 3.84Å; I173-A259 PolarHBondContact O-N 2.01Å; G174-A259 CarbonylContact C-O 3.47Å; G174-A259 VanDerWaalsContact CA-O 3.3Å; G174-A259 WeakPolarHBondContact CA-O 3.31Å; L175-A259 PolarHBondContact N-O 2.9Å
260L93Very high88.7Confident36 Ų3645.8 Ų45.819%0.18827%0.27CS..EExtended strand (participates in β ladder)trans-103124.1175.4-63.3170.2000108.7L175 L177 I258 L282 A285L175-L260 HydrophobicContact CB-CD2 3.97Å; L175-L260 HydrophobicContact CD1-CD2 4.3Å; L177-L260 HydrophobicContact CD1-CB 3.87Å; L177-L260 HydrophobicContact CD2-CB 4.2Å; L177-L260 HydrophobicContact CD2-CD2 3.96Å; L177-L260 HydrophobicContact CG-CB 4.12Å; I258-L260 HydrophobicContact CG2-CD2 4.03Å; I258-L260 HydrophobicContact CG2-CG 4.23Å; L260-L282 HydrophobicContact CD1-CB 4.23Å; L260-L282 HydrophobicContact CD1-CD1 3.74Å; L260-A285 HydrophobicContact CD1-CB 3.81Å
261S87.9Confident88.2Confident69 Ų6952.5 Ų52.548%0.48330%0.299SS..EExtended strand (participates in β ladder)trans-141.7138.9-174.4-1730000113.3L175 S176 L177L175-S261 PolarHBondContact O-N 2.93Å; S176-S261 WeakPolarHBondContact CA-O 3.07Å; L177-S261 PolarHBondContact N-O 2.77Å
262P89.1Confident87.5Confident35 Ų3550.5 Ų50.523%0.22729%0.291CS..  cis-85.7148-18.339.2-36.4000110.2L177 H178 D264 A265L177-P262 WeakPolarHBondContact CB-O 3.29Å; L177-P262 WeakPolarHBondContact CD1-O 3.38Å; H178-P262 WeakPolarHBondContact CE1-CD 3.28Å; H178-P262 WeakPolarHBondContact CE1-CG 3.3Å; H178-P262 VanDerWaalsContact ND1-CD 3.33Å; H178-P262 WeakPolarHBondContact ND1-CD 3.27Å; P262-D264 WeakPolarHBondContact CB-OD1 3.41Å; P262-D264 VanDerWaalsContact CG-OD1 3.32Å; P262-D264 WeakPolarHBondContact CG-OD1 3.4Å; P262-D264 PolarHBondContact O-N 2.94Å; P262-A265 HydrophobicContact CG-CB 3.88Å; P262-A265 WeakPolarHBondContact O-CB 3.1Å; P262-A265 PolarHBondContact O-N 3.47Å
263I88.9Confident86.5Confident94 Ų9455 Ų5548%0.48230%0.304SS..G310 helixtrans-63.3-25.4-172.4-166166.5000113.9A265 D266 F279 L282I263-A265 VanDerWaalsContact C-N 3.3Å; I263-D266 WeakPolarHBondContact O-CB 3.3Å; I263-D266 PolarHBondContact O-N 3.23Å; I263-F279 HydrophobicContact CG1-CD1 4.13Å; I263-F279 HydrophobicContact CG1-CE1 4.06Å; I263-L282 HydrophobicContact CD1-CD2 3.89Å; I263-L282 HydrophobicContact CG1-CD2 4.5Å
264D87.8Confident84.8Confident121 Ų12156.1 Ų56.165%0.64733%0.327SS*.G310 helixtrans-77.3-13.9177.563.8-29.8000113.5P262 D266P262-D264 WeakPolarHBondContact CB-OD1 3.41Å; P262-D264 VanDerWaalsContact CG-OD1 3.32Å; P262-D264 WeakPolarHBondContact CG-OD1 3.4Å; P262-D264 PolarHBondContact O-N 2.94Å; D264-D266 VanDerWaalsContact C-N 3.28Å
265A91.1Very high83.6Confident3 Ų358 Ų583%0.02533%0.326CS..G310 helixtrans-76.7-15.6170.100000112.9L177 H178 S205 Y206 P262 I263L177-A265 HydrophobicContact CB-CB 3.94Å; H178-A265 VanDerWaalsContact CD2-CB 3.43Å; H178-A265 WeakPolarHBondContact CD2-CB 3.46Å; S205-A265 CarbonylContact C-O 3.56Å; S205-A265 WeakPolarHBondContact CB-O 3.43Å; Y206-A265 VanDerWaalsContact CB-O 3.28Å; Y206-A265 WeakPolarHBondContact CB-O 3.49Å; Y206-A265 PolarHBondContact N-O 3.43Å; P262-A265 HydrophobicContact CG-CB 3.88Å; P262-A265 WeakPolarHBondContact O-CB 3.1Å; P262-A265 PolarHBondContact O-N 3.47Å; I263-A265 VanDerWaalsContact C-N 3.3Å
266D90Very high82.1Confident3 Ų359.6 Ų59.62%0.01633%0.331CS..SBendtrans-70.9171.8170.5-156.1-6.4000111.1L177 I263 D264 A268 F279 P280 L281 L282L177-D266 HydrophobicContact CD1-CB 4.15Å; I263-D266 WeakPolarHBondContact O-CB 3.3Å; I263-D266 PolarHBondContact O-N 3.23Å; D264-D266 VanDerWaalsContact C-N 3.28Å; D266-A268 VanDerWaalsContact C-N 3.28Å; D266-A268 PolarHBondContact O-N 2.89Å; D266-F279 HydrophobicContact CB-CD1 4.12Å; D266-F279 WeakPolarHBondContact OD2-CA 3.33Å; D266-P280 WeakPolarHBondContact OD1-CD 2.82Å; D266-P280 WeakPolarHBondContact OD1-CG 3.21Å; D266-L281 PolarHBondContact OD1-N 3.41Å; D266-L281 PolarHBondContact OD2-N 2.9Å; D266-L281 VanDerWaalsContact OD2-N 3.14Å; D266-L282 PolarHBondContact OD2-N 3.23Å
267D86.4Confident81.3Confident2 Ų256.3 Ų56.31%0.01133%0.326CS..  trans-83.270.7178.7-176.725.4000112.2Y206 A207 A269 G270 K271 C272 T278 F279 P280Y206-D267 HydrophobicContact CD1-CB 4.34Å; A207-D267 HydrophobicContact CB-CB 4.2Å; D267-A269 PolarHBondContact O-N 2.81Å; D267-A269 VanDerWaalsContact O-N 3.09Å; D267-G270 PolarHBondContact O-N 2.96Å; D267-G270 VanDerWaalsContact O-N 3.12Å; D267-G270 PolarHBondContact OD1-N 2.95Å; D267-G270 WeakPolarHBondContact OD2-CA 2.95Å; D267-K271 PolarHBondContact OD1-N 3.14Å; D267-K271 PolarHBondContact OD2-N 3.32Å; D267-C272 HydrophobicContact CB-CB 4.49Å; D267-C272 VanDerWaalsContact OD2-CB 3.25Å; D267-C272 WeakPolarHBondContact OD2-CB 3.33Å; D267-C272 PolarHBondContact OD2-N 2.98Å; D267-C272 PolarHBondContact OD2-SG 2.91Å; D267-C272 VanDerWaalsContact OD2-SG 3.36Å; D267-T278 WeakPolarHBondContact O-CA 3.42Å; D267-F279 PolarHBondContact O-N 3.3Å; D267-P280 HydrophobicContact CB-CG 3.96Å
268A84.1Confident81Confident47 Ų4758.2 Ų58.239%0.38834%0.335SS..THydrogen-bonded Turntrans-57.8-22178.200000113.8D266 T278 F279D266-A268 VanDerWaalsContact C-N 3.28Å; D266-A268 PolarHBondContact O-N 2.89Å; A268-T278 WeakPolarHBondContact O-CB 3.47Å; A268-T278 WeakPolarHBondContact O-CG2 3.01Å; A268-F279 HydrophobicContact CB-CD1 4.31Å; A268-F279 HydrophobicContact CB-CE1 3.61Å; A268-F279 HydrophobicContact CB-CE2 3.98Å; A268-F279 HydrophobicContact CB-CZ 3.41Å; A268-F279 VanDerWaalsContact CB-CZ 3.41Å
269A81.8Confident80.7Confident71 Ų7159.7 Ų59.759%0.58734%0.341SS*.THydrogen-bonded Turntrans-99.5-4.2-178.800000113.9D267 K271D267-A269 PolarHBondContact O-N 2.81Å; D267-A269 VanDerWaalsContact O-N 3.09Å; A269-K271 VanDerWaalsContact C-N 3.32Å; A269-K271 HydrophobicContact CB-CG 4.11Å; A269-K271 PolarHBondContact O-N 3.47Å
270G80.8Confident80.5Confident21 Ų2158.8 Ų58.822%0.21633%0.333CS..  trans6529.7-17900000114.4D267 C272 G277D267-G270 PolarHBondContact O-N 2.96Å; D267-G270 VanDerWaalsContact O-N 3.12Å; D267-G270 PolarHBondContact OD1-N 2.95Å; D267-G270 WeakPolarHBondContact OD2-CA 2.95Å; G270-C272 VanDerWaalsContact C-N 3.31Å; G270-C272 PolarHBondContact O-N 3.5Å; G270-G277 WeakPolarHBondContact CA-O 3.49Å
271K80.6Confident80.4Confident144 Ų14457.1 Ų57.163%0.62632%0.324SS*.  trans-65.3-30.6178.6-67.8-177.1178.1-178.70113.6H211 D267 A269H211-K271 PolarHBondContact CE1-O 2.9Å; H211-K271 VanDerWaalsContact CE1-O 3.3Å; H211-K271 PolarHBondContact NE2-O 3.4Å; D267-K271 PolarHBondContact OD1-N 3.14Å; D267-K271 PolarHBondContact OD2-N 3.32Å; A269-K271 VanDerWaalsContact C-N 3.32Å; A269-K271 HydrophobicContact CB-CG 4.11Å; A269-K271 PolarHBondContact O-N 3.47Å
272C70.9Confident80.5Confident12 Ų1256.9 Ų56.98%0.08132%0.317CS..SBendtrans-79-26.7-164.6-67.40000114.9A207 C210 D267 G270A207-C272 VanDerWaalsContact CA-SG 3.59Å; C210-C272 HydrophobicContact CB-CB 3.4Å; C210-C272 VanDerWaalsContact CB-CB 3.4Å; C210-C272 WeakPolarHBondContact CB-SG 3.33Å; C210-C272 WeakPolarHBondContact SG-CA 3.5Å; C210-C272 WeakPolarHBondContact SG-CB 3.32Å; C210-C272 CovalentContact SG-SG 2.01Å; C210-C272 PolarHBondContact SG-SG 3.38Å; D267-C272 HydrophobicContact CB-CB 4.49Å; D267-C272 VanDerWaalsContact OD2-CB 3.25Å; D267-C272 WeakPolarHBondContact OD2-CB 3.33Å; D267-C272 PolarHBondContact OD2-N 2.98Å; D267-C272 PolarHBondContact OD2-SG 2.91Å; D267-C272 VanDerWaalsContact OD2-SG 3.36Å; G270-C272 VanDerWaalsContact C-N 3.31Å; G270-C272 PolarHBondContact O-N 3.5Å
273R65.1Low80.5Confident186 Ų18660.4 Ų60.470%0.70233%0.326SS*.  trans-179152.4175-105.9157.6176.2-150.2-1.6112.4
274S51.2Low80.6Confident118 Ų11856 Ų5683%0.82530%0.303SS*.THydrogen-bonded Turntrans-84.3-7.1-169.254.60000116.5
275D63.4Low80.7Confident86 Ų8650.3 Ų50.346%0.4627%0.273SS..THydrogen-bonded Turntrans-94.6-34.5-173.962.5-18.1000114.8K884D275-K884 HydrophobicContact CB-CD 4.25Å; D275-K884 VanDerWaalsContact CB-NZ 3.27Å; D275-K884 IonicContact OD2-NZ 2.66Å; D275-K884 PolarHBondContact OD2-NZ 2.77Å
276R61.3Low80.4Confident49 Ų4956.4 Ų56.419%0.18530%0.299CS..THydrogen-bonded Turntrans-94.8-16.5173.8-67.2-149.1-169.4-159.616.3114.9P280 R283 T284 D287 V549R276-P280 HydrophobicContact CB-CB 4.39Å; R276-R283 PolarHBondContact O-NH1 2.74Å; R276-T284 PolarHBondContact NH1-OG1 3.15Å; R276-D287 IonicContact NH1-OD2 3.22Å; R276-V549 PolarHBondContact NH2-O 2.95Å
277G73.4Confident80.1Confident23 Ų2360.4 Ų60.424%0.23732%0.321CS..  trans70.1-136.817800000113G270G270-G277 WeakPolarHBondContact CA-O 3.49Å
278T86.1Confident79.8Confident50 Ų5061.8 Ų61.831%0.30733%0.327SS..SBendtrans-81.6147-174.859.40000112.9D267 A268 R283D267-T278 WeakPolarHBondContact O-CA 3.42Å; A268-T278 WeakPolarHBondContact O-CB 3.47Å; A268-T278 WeakPolarHBondContact O-CG2 3.01Å; T278-R283 WeakPolarHBondContact O-CD 3.14Å; T278-R283 PolarHBondContact O-NE 3.09Å; T278-R283 PolarHBondContact OG1-NH2 2.68Å
279F88.2Confident79.2Confident61 Ų6162.5 Ų62.527%0.26832%0.324SS..  trans54.254.7179.8-54.6-87.5000114I263 D266 D267 A268 L281 L282 R283I263-F279 HydrophobicContact CG1-CD1 4.13Å; I263-F279 HydrophobicContact CG1-CE1 4.06Å; D266-F279 HydrophobicContact CB-CD1 4.12Å; D266-F279 WeakPolarHBondContact OD2-CA 3.33Å; D267-F279 PolarHBondContact O-N 3.3Å; A268-F279 HydrophobicContact CB-CD1 4.31Å; A268-F279 HydrophobicContact CB-CE1 3.61Å; A268-F279 HydrophobicContact CB-CE2 3.98Å; A268-F279 HydrophobicContact CB-CZ 3.41Å; A268-F279 VanDerWaalsContact CB-CZ 3.41Å; F279-L281 VanDerWaalsContact C-N 3.31Å; F279-L281 PolarHBondContact O-N 2.94Å; F279-L282 HydrophobicContact CB-CB 3.97Å; F279-L282 HydrophobicContact CB-CD2 4.18Å; F279-L282 HydrophobicContact CG-CD2 4.47Å; F279-L282 PolarHBondContact O-N 2.94Å; F279-R283 WeakPolarHBondContact O-CB 3.48Å; F279-R283 WeakPolarHBondContact O-CG 3.2Å; F279-R283 PolarHBondContact O-N 2.81Å
280P88.7Confident77.9Confident4 Ų463.9 Ų63.93%0.02632%0.318CS..Hα-helixtrans-59.3-36.5-175.524.9-35.9000113.6Y206 E240 D266 D267 R276 T284Y206-P280 HydrophobicContact CD1-CG 4.21Å; Y206-P280 HydrophobicContact CE1-CG 3.83Å; E240-P280 HydrophobicContact CG-CB 4.28Å; D266-P280 WeakPolarHBondContact OD1-CD 2.82Å; D266-P280 WeakPolarHBondContact OD1-CG 3.21Å; D267-P280 HydrophobicContact CB-CG 3.96Å; R276-P280 HydrophobicContact CB-CB 4.39Å; P280-T284 WeakPolarHBondContact O-CB 3.11Å; P280-T284 PolarHBondContact O-N 2.72Å; P280-T284 PolarHBondContact O-OG1 3.48Å
281L91Very high75.7Confident0 Ų068.1 Ų68.10%034%0.343CS..Hα-helixtrans-72.4-44.3-179.8-60.5-174.5000111.5L177 Y206 E240 V243 D266 F279 R283 T284 A285L177-L281 HydrophobicContact CD2-CB 3.65Å; L177-L281 HydrophobicContact CD2-CD1 3.52Å; L177-L281 HydrophobicContact CD2-CG 4.23Å; Y206-L281 HydrophobicContact CD1-CD1 4.13Å; Y206-L281 HydrophobicContact CD1-CG 4.11Å; Y206-L281 HydrophobicContact CD2-CD1 3.64Å; Y206-L281 HydrophobicContact CD2-CD2 4.49Å; Y206-L281 HydrophobicContact CD2-CG 4.31Å; Y206-L281 HydrophobicContact CE1-CD1 4.34Å; Y206-L281 HydrophobicContact CE1-CD2 4.01Å; Y206-L281 HydrophobicContact CE1-CG 3.97Å; Y206-L281 HydrophobicContact CE2-CD1 3.84Å; Y206-L281 HydrophobicContact CE2-CD2 3.86Å; Y206-L281 HydrophobicContact CE2-CG 4.15Å; Y206-L281 HydrophobicContact CG-CD1 3.77Å; Y206-L281 HydrophobicContact CG-CG 4.26Å; E240-L281 HydrophobicContact CG-CD2 4.26Å; V243-L281 HydrophobicContact CG2-CB 4.38Å; V243-L281 HydrophobicContact CG2-CD2 4.03Å; D266-L281 PolarHBondContact OD1-N 3.41Å; D266-L281 PolarHBondContact OD2-N 2.9Å; D266-L281 VanDerWaalsContact OD2-N 3.14Å; F279-L281 VanDerWaalsContact C-N 3.31Å; F279-L281 PolarHBondContact O-N 2.94Å; L281-R283 PolarHBondContact O-N 3.4Å; L281-T284 PolarHBondContact O-N 2.98Å; L281-A285 PolarHBondContact O-N 2.86Å
282L91.3Very high73.2Confident65 Ų6567.2 Ų67.234%0.3435%0.345SS..Hα-helixtrans-58.8-47.4174.1176.665.6000112.1L260 I263 D266 F279 T284 A285 F286L260-L282 HydrophobicContact CD1-CB 4.23Å; L260-L282 HydrophobicContact CD1-CD1 3.74Å; I263-L282 HydrophobicContact CD1-CD2 3.89Å; I263-L282 HydrophobicContact CG1-CD2 4.5Å; D266-L282 PolarHBondContact OD2-N 3.23Å; F279-L282 HydrophobicContact CB-CB 3.97Å; F279-L282 HydrophobicContact CB-CD2 4.18Å; F279-L282 HydrophobicContact CG-CD2 4.47Å; F279-L282 PolarHBondContact O-N 2.94Å; L282-T284 VanDerWaalsContact C-N 3.29Å; L282-T284 PolarHBondContact O-N 3.44Å; L282-A285 PolarHBondContact O-N 2.83Å; L282-F286 WeakPolarHBondContact O-CB 2.99Å; L282-F286 PolarHBondContact O-N 2.87Å
283R88.9Confident71.1Confident109 Ų10971.8 Ų71.841%0.41137%0.368SS..Hα-helixtrans-60.2-43.1177.2-72.9-179.5-174.3-152.3-2.2110.7R276 T278 F279 L281 A285 F286 D287R276-R283 PolarHBondContact O-NH1 2.74Å; T278-R283 WeakPolarHBondContact O-CD 3.14Å; T278-R283 PolarHBondContact O-NE 3.09Å; T278-R283 PolarHBondContact OG1-NH2 2.68Å; F279-R283 WeakPolarHBondContact O-CB 3.48Å; F279-R283 WeakPolarHBondContact O-CG 3.2Å; F279-R283 PolarHBondContact O-N 2.81Å; L281-R283 PolarHBondContact O-N 3.4Å; R283-A285 PolarHBondContact O-N 3.24Å; R283-F286 PolarHBondContact O-N 2.98Å; R283-D287 WeakPolarHBondContact O-CB 3.09Å; R283-D287 PolarHBondContact O-N 3.4Å
284T90.1Very high69.1Low0 Ų067 Ų670%036%0.356CS..Hα-helixtrans-60.4-45.9178-55.60000112.1E240 V243 Q244 R276 P280 L281 L282 H288E240-T284 HydrophobicContact CB-CG2 4.23Å; E240-T284 VanDerWaalsContact O-CG2 3.25Å; E240-T284 WeakPolarHBondContact O-CG2 3.16Å; V243-T284 HydrophobicContact CG1-CG2 4.42Å; Q244-T284 HydrophobicContact CB-CG2 3.97Å; R276-T284 PolarHBondContact NH1-OG1 3.15Å; P280-T284 WeakPolarHBondContact O-CB 3.11Å; P280-T284 PolarHBondContact O-N 2.72Å; P280-T284 PolarHBondContact O-OG1 3.48Å; L281-T284 PolarHBondContact O-N 2.98Å; L282-T284 VanDerWaalsContact C-N 3.29Å; L282-T284 PolarHBondContact O-N 3.44Å; T284-H288 PolarHBondContact O-N 3.38Å; T284-H288 PolarHBondContact O-ND1 3.32Å
285A89.6Confident67.8Low3 Ų364.7 Ų64.73%0.02534%0.337CS..Hα-helixtrans-62.8-42.817500000111.9V243 L260 L281 L282 R283 H288 L289V243-A285 HydrophobicContact CG1-CB 3.77Å; L260-A285 HydrophobicContact CD1-CB 3.81Å; L281-A285 PolarHBondContact O-N 2.86Å; L282-A285 PolarHBondContact O-N 2.83Å; R283-A285 PolarHBondContact O-N 3.24Å; A285-H288 PolarHBondContact O-N 2.93Å; A285-L289 VanDerWaalsContact O-CB 3.29Å; A285-L289 WeakPolarHBondContact O-CB 3.11Å; A285-L289 WeakPolarHBondContact O-CG 3.09Å; A285-L289 PolarHBondContact O-N 3.07Å
286F86.3Confident65.9Low130 Ų13065.9 Ų65.957%0.5734%0.343SS*.Hα-helixtrans-62.1-47179.1-175.6-94000112.1L282 R283 H288 L289 H290L282-F286 WeakPolarHBondContact O-CB 2.99Å; L282-F286 PolarHBondContact O-N 2.87Å; R283-F286 PolarHBondContact O-N 2.98Å; F286-H288 PolarHBondContact O-N 3.19Å; F286-H288 VanDerWaalsContact O-N 3.16Å; F286-L289 PolarHBondContact O-N 2.61Å; F286-H290 AromaticContact CD1-NE2 3.56Å; F286-H290 AromaticContact CE1-CE1 3.45Å; F286-H290 VanDerWaalsContact CE1-CE1 3.45Å; F286-H290 WeakPolarHBondContact CE1-CE1 3.39Å; F286-H290 AromaticContact CE1-NE2 3.18Å; F286-H290 WeakPolarHBondContact CE1-NE2 3.35Å; F286-H290 AromaticContact CZ-CE1 3.48Å; F286-H290 VanDerWaalsContact CZ-CE1 3.48Å; F286-H290 WeakPolarHBondContact CZ-CE1 3.31Å; F286-H290 AromaticContact CZ-NE2 3.73Å; F286-H290 PolarHBondContact O-CD2 3.22Å; F286-H290 VanDerWaalsContact O-CD2 3.25Å; F286-H290 PolarHBondContact O-NE2 2.85Å
287D82.6Confident64.2Low87 Ų8765.2 Ų65.247%0.46535%0.345SS..Hα-helixtrans-59.2-28.2-179.7-66.2-25000112.2R276 R283R276-D287 IonicContact NH1-OD2 3.22Å; R283-D287 WeakPolarHBondContact O-CB 3.09Å; R283-D287 PolarHBondContact O-N 3.4Å
288H80Confident61.8Low32 Ų3270.3 Ų70.315%0.14836%0.364CS..Hα-helixtrans-103.5-10-178.8-62.180.6000113.9Q244 T247 E248 Q251 T284 A285 F286Q244-H288 WeakPolarHBondContact CG-NE2 3.33Å; Q244-H288 PolarHBondContact NE2-NE2 3.33Å; T247-H288 HydrophobicContact CG2-CB 3.55Å; E248-H288 IonicContact OE1-CD2 3.37Å; Q251-H288 PolarHBondContact NE2-O 3.28Å; Q251-H288 PolarHBondContact OE1-O 2.94Å; T284-H288 PolarHBondContact O-N 3.38Å; T284-H288 PolarHBondContact O-ND1 3.32Å; A285-H288 PolarHBondContact O-N 2.93Å; F286-H288 PolarHBondContact O-N 3.19Å; F286-H288 VanDerWaalsContact O-N 3.16Å
289L71.9Confident59Low62 Ų6271 Ų7133%0.32536%0.362SS..Hα-helixtrans-90.2-3.8178.1-85.5176.5000114.5T247 Q251 I258 A285 F286T247-L289 HydrophobicContact CG2-CB 4.39Å; T247-L289 HydrophobicContact CG2-CD2 3.75Å; T247-L289 HydrophobicContact CG2-CG 3.57Å; Q251-L289 HydrophobicContact CG-CD2 4.42Å; I258-L289 HydrophobicContact CB-CD1 4.2Å; I258-L289 HydrophobicContact CD1-CD1 4.06Å; I258-L289 HydrophobicContact CD1-CD2 4.03Å; I258-L289 HydrophobicContact CD1-CG 4.13Å; I258-L289 HydrophobicContact CG1-CD1 4.27Å; I258-L289 HydrophobicContact CG1-CD2 4.26Å; A285-L289 VanDerWaalsContact O-CB 3.29Å; A285-L289 WeakPolarHBondContact O-CB 3.11Å; A285-L289 WeakPolarHBondContact O-CG 3.09Å; A285-L289 PolarHBondContact O-N 3.07Å; F286-L289 PolarHBondContact O-N 2.61Å
290H55.3Low56.1Low100 Ų10069.4 Ų69.446%0.46336%0.355SS..SBendtrans-56.7149.4169.1-68.9-59.7000109.6Q251 F286 L292Q251-H290 PolarHBondContact NE2-O 3.25Å; F286-H290 AromaticContact CD1-NE2 3.56Å; F286-H290 AromaticContact CE1-CE1 3.45Å; F286-H290 VanDerWaalsContact CE1-CE1 3.45Å; F286-H290 WeakPolarHBondContact CE1-CE1 3.39Å; F286-H290 AromaticContact CE1-NE2 3.18Å; F286-H290 WeakPolarHBondContact CE1-NE2 3.35Å; F286-H290 AromaticContact CZ-CE1 3.48Å; F286-H290 VanDerWaalsContact CZ-CE1 3.48Å; F286-H290 WeakPolarHBondContact CZ-CE1 3.31Å; F286-H290 AromaticContact CZ-NE2 3.73Å; F286-H290 PolarHBondContact O-CD2 3.22Å; F286-H290 VanDerWaalsContact O-CD2 3.25Å; F286-H290 PolarHBondContact O-NE2 2.85Å; H290-L292 PolarHBondContact O-N 3.24Å; H290-L292 VanDerWaalsContact O-N 3.07Å
291C33.2Very low53.3Low110 Ų11069.3 Ų69.374%0.74335%0.354SS*.  trans-39.6127.7170.7-68.20000107.5D293C291-D293 PolarHBondContact O-N 2.85Å
292L28.9Very low50.5Low125 Ų12569.3 Ų69.365%0.65435%0.354SS*.  trans-58.197.2154.8-146.5101.9000102.6H290 L294H290-L292 PolarHBondContact O-N 3.24Å; H290-L292 VanDerWaalsContact O-N 3.07Å; L292-L294 HydrophobicContact CD2-CD2 3.97Å; L292-L294 HydrophobicContact CD2-CG 4.13Å; L292-L294 PolarHBondContact O-N 3.28Å
293D27.4Very low47.9Very low108 Ų10866.5 Ų66.558%0.57834%0.34SS*.  trans-67.688.8169.9-131.515.3000102C291 T295C291-D293 PolarHBondContact O-N 2.85Å; D293-T295 HydrophobicContact CB-CG2 4.33Å; D293-T295 VanDerWaalsContact CB-OG1 3.26Å; D293-T295 WeakPolarHBondContact CB-OG1 3.46Å; D293-T295 PolarHBondContact O-N 3.37Å; D293-T295 WeakPolarHBondContact OD1-CG2 3.5Å; D293-T295 PolarHBondContact OD1-OG1 3.13Å; D293-T295 WeakPolarHBondContact OD2-CG2 3.25Å; D293-T295 PolarHBondContact OD2-OG1 2.83Å
294L23.1Very low45.1Very low86 Ų8662 Ų6245%0.4533%0.325SS..  trans-65.950.1144.6-64.5175.7000107.2L292 D597L292-L294 HydrophobicContact CD2-CD2 3.97Å; L292-L294 HydrophobicContact CD2-CG 4.13Å; L292-L294 PolarHBondContact O-N 3.28Å; L294-D597 HydrophobicContact CD2-CB 3.29Å; L294-D597 WeakPolarHBondContact CD2-O 3.37Å
295T24Very low42.4Very low69 Ų6964 Ų6442%0.42334%0.337SS..  trans-99.7132162.354.10000105.7D293 P297D293-T295 HydrophobicContact CB-CG2 4.33Å; D293-T295 VanDerWaalsContact CB-OG1 3.26Å; D293-T295 WeakPolarHBondContact CB-OG1 3.46Å; D293-T295 PolarHBondContact O-N 3.37Å; D293-T295 WeakPolarHBondContact OD1-CG2 3.5Å; D293-T295 PolarHBondContact OD1-OG1 3.13Å; D293-T295 WeakPolarHBondContact OD2-CG2 3.25Å; D293-T295 PolarHBondContact OD2-OG1 2.83Å; T295-P297 WeakPolarHBondContact O-CD 3.22Å
296L23.6Very low39.7Very low111 Ų11169.9 Ų69.958%0.58136%0.364SS*.  trans-68110.3175.5-33.1174.4000109.9M298 G599L296-M298 VanDerWaalsContact C-N 3.33Å; L296-M298 PolarHBondContact O-N 3.12Å; L296-G599 VanDerWaalsContact CB-C 3.41Å; L296-G599 WeakPolarHBondContact CB-O 3.46Å; L296-G599 WeakPolarHBondContact CD1-O 3.38Å; L296-G599 VanDerWaalsContact CD2-C 3.43Å; L296-G599 WeakPolarHBondContact CD2-O 3.36Å; L296-G599 VanDerWaalsContact CG-CA 3.47Å; L296-G599 WeakPolarHBondContact CG-O 3.28Å
297P24.2Very low37.1Very low35 Ų3568.5 Ų68.523%0.22736%0.363CS..  trans-84.588.1175.526.9-13.3000108.2T295 L598T295-P297 WeakPolarHBondContact O-CD 3.22Å; P297-L598 WeakPolarHBondContact CD-O 3.44Å
298M23.5Very low34.6Very low130 Ų13069.8 Ų69.864%0.6438%0.378SS*.  trans-74.3149156.4-71.5176.154.500111.8L296 D610L296-M298 VanDerWaalsContact C-N 3.33Å; L296-M298 PolarHBondContact O-N 3.12Å; M298-D610 VanDerWaalsContact C-OD2 3.23Å; M298-D610 WeakPolarHBondContact CA-OD2 3.21Å
299Y27Very low32.3Very low65 Ų6571.2 Ų71.226%0.25540%0.402SS..  trans29123.9158.9-71.6-87.5000116.7Q606 M609 D610 K959Y299-Q606 PolarHBondContact OH-NE2 2.94Å; Y299-M609 HydrophobicContact CE1-CB 3.82Å; Y299-M609 WeakPolarHBondContact OH-CB 3.09Å; Y299-M609 WeakPolarHBondContact OH-CE 3.4Å; Y299-D610 VanDerWaalsContact CA-OD1 3.29Å; Y299-D610 WeakPolarHBondContact CA-OD1 3.32Å; Y299-D610 WeakPolarHBondContact CA-OD2 3.49Å; Y299-D610 HydrophobicContact CD1-CB 4.07Å; Y299-D610 WeakPolarHBondContact CD1-OD1 3.4Å; Y299-D610 WeakPolarHBondContact CD2-OD1 3.47Å; Y299-D610 WeakPolarHBondContact CE1-OD1 3.24Å; Y299-D610 WeakPolarHBondContact CE2-OD1 3.29Å; Y299-D610 HydrophobicContact CG-CB 4.13Å; Y299-D610 PolarHBondContact N-OD1 3.11Å; Y299-D610 VanDerWaalsContact N-OD1 3.1Å; Y299-D610 PolarHBondContact N-OD2 3.05Å; Y299-K959 PolarHBondContact O-NZ 3.47Å
300E28Very low30.2Very low27 Ų2778.5 Ų78.513%0.12643%0.431CS..  cis173.3173.939.9-134.5161.9-169.700114.8R572 D610 N611 L613 S958E300-R572 PolarHBondContact O-NH2 3.48Å; E300-D610 CarbonylContact C-O 3.46Å; E300-D610 WeakPolarHBondContact CA-O 3.35Å; E300-D610 WeakPolarHBondContact CB-O 3.04Å; E300-D610 VanDerWaalsContact CG-C 3.44Å; E300-D610 WeakPolarHBondContact CG-O 2.66Å; E300-N611 PolarHBondContact O-OD1 2.79Å; E300-L613 HydrophobicContact CB-CD2 4.36Å; E300-L613 HydrophobicContact CG-CD2 3.42Å; E300-L613 VanDerWaalsContact CG-CD2 3.42Å; E300-L613 WeakPolarHBondContact OE1-CD2 3.36Å; E300-S958 WeakPolarHBondContact OE2-CB 3.03Å; E300-S958 PolarHBondContact OE2-OG 3.08Å
301G29.1Very low29Very low1 Ų179.1 Ų79.11%0.0144%0.444CS..  trans-65.3-163.8-161.400000117.8R572 D610 N611 I924G301-R572 VanDerWaalsContact C-CG 3.49Å; G301-R572 VanDerWaalsContact C-NE 3.27Å; G301-R572 PolarHBondContact O-NE 3.38Å; G301-D610 PolarHBondContact N-O 3.03Å; G301-N611 WeakPolarHBondContact CA-O 3.33Å; G301-N611 WeakPolarHBondContact CA-OD1 3.46Å; G301-N611 VanDerWaalsContact N-CA 3.28Å; G301-N611 PolarHBondContact N-OD1 2.66Å; G301-I924 VanDerWaalsContact O-CD1 3.28Å; G301-I924 WeakPolarHBondContact O-CD1 3.2Å
302I33.1Very low28.8Very low1 Ų183.5 Ų83.51%0.00545%0.45CS..  -177.9-164.657-25.1166.7000112.5R572 T575 M576 L613 I924 L945 A953 Y955I302-R572 VanDerWaalsContact N-CG 3.28Å; I302-T575 HydrophobicContact CB-CG2 4.48Å; I302-T575 HydrophobicContact CG2-CG2 3.3Å; I302-M576 VanDerWaalsContact C-SD 3.56Å; I302-M576 WeakPolarHBondContact O-CG 3.32Å; I302-L613 HydrophobicContact CB-CD1 4.04Å; I302-L613 HydrophobicContact CB-CG 4.27Å; I302-L613 HydrophobicContact CD1-CD1 3Å; I302-L613 HydrophobicContact CD1-CG 3.97Å; I302-L613 HydrophobicContact CG1-CD1 3.23Å; I302-L613 HydrophobicContact CG1-CG 3.63Å; I302-L613 HydrophobicContact CG2-CB 3.97Å; I302-L613 HydrophobicContact CG2-CD1 3.58Å; I302-L613 HydrophobicContact CG2-CG 3.82Å; I302-I924 HydrophobicContact CG1-CD1 4.42Å; I302-L945 HydrophobicContact CB-CB 3.83Å; I302-L945 HydrophobicContact CB-CD1 4.2Å; I302-L945 HydrophobicContact CB-CD2 3.94Å; I302-L945 HydrophobicContact CB-CG 4.14Å; I302-L945 VanDerWaalsContact CD1-C 3.44Å; I302-L945 HydrophobicContact CD1-CB 3.8Å; I302-L945 WeakPolarHBondContact CD1-O 3.24Å; I302-L945 HydrophobicContact CG1-CB 4.21Å; I302-L945 HydrophobicContact CG2-CB 4.41Å; I302-L945 HydrophobicContact CG2-CD2 3.91Å; I302-L945 WeakPolarHBondContact O-CD1 2.87Å; I302-A953 HydrophobicContact CG2-CB 3.68Å; I302-Y955 VanDerWaalsContact CD1-CB 3.48Å
303A35.7Very low28.8Very low5 Ų587 Ų874%0.04146%0.463CS..  trans-59.6159.9-147.700000135.6T575 M576 L945 A953A303-T575 VanDerWaalsContact CB-C 3.46Å; A303-T575 HydrophobicContact CB-CG2 4.05Å; A303-T575 VanDerWaalsContact CB-O 3.27Å; A303-T575 WeakPolarHBondContact CB-O 3.5Å; A303-M576 WeakPolarHBondContact CA-SD 3.36Å; A303-M576 HydrophobicContact CB-CB 3.95Å; A303-M576 HydrophobicContact CB-CG 4.32Å; A303-M576 VanDerWaalsContact N-CG 3.27Å; A303-M576 WeakPolarHBondContact O-CE 3.4Å; A303-L945 VanDerWaalsContact C-CD2 3.42Å; A303-L945 HydrophobicContact CB-CD2 3Å; A303-L945 HydrophobicContact CB-CG 4.32Å; A303-L945 WeakPolarHBondContact O-CD1 3.17Å; A303-L945 VanDerWaalsContact O-CD2 3.3Å; A303-L945 WeakPolarHBondContact O-CD2 3.33Å; A303-A953 HydrophobicContact CB-CB 3.78Å
304L30.4Very low28.9Very low16 Ų1685.4 Ų85.48%0.08447%0.465CS..  trans-114.6172.9-149.7-72.5171.9000109.8L573 M576 K577 F579 E941L304-L573 HydrophobicContact CD1-CD1 3.44Å; L304-L573 VanDerWaalsContact CD1-CD1 3.44Å; L304-L573 HydrophobicContact CD1-CG 3.68Å; L304-L573 WeakPolarHBondContact CD1-O 3.22Å; L304-L573 HydrophobicContact CD2-CD1 3.34Å; L304-L573 HydrophobicContact CD2-CG 4.35Å; L304-L573 HydrophobicContact CG-CD1 3.99Å; L304-M576 CarbonylContact C-O 3.57Å; L304-M576 WeakPolarHBondContact CA-O 3.29Å; L304-M576 VanDerWaalsContact CB-CA 3.44Å; L304-M576 HydrophobicContact CB-CB 3.33Å; L304-M576 HydrophobicContact CB-CE 4.3Å; L304-M576 HydrophobicContact CB-CG 4.5Å; L304-M576 WeakPolarHBondContact CB-O 3.44Å; L304-M576 HydrophobicContact CD1-CB 3.95Å; L304-M576 HydrophobicContact CD2-CB 3.48Å; L304-M576 VanDerWaalsContact CD2-CB 3.48Å; L304-M576 HydrophobicContact CD2-CE 3.55Å; L304-M576 HydrophobicContact CD2-CG 4.07Å; L304-M576 HydrophobicContact CD2-SD 4.46Å; L304-M576 VanDerWaalsContact CG-CA 3.47Å; L304-M576 HydrophobicContact CG-CB 3Å; L304-M576 HydrophobicContact CG-CE 4.36Å; L304-M576 HydrophobicContact CG-CG 4.13Å; L304-M576 PolarHBondContact N-O 3.03Å; L304-K577 HydrophobicContact CB-CB 4.12Å; L304-K577 HydrophobicContact CB-CD 3.31Å; L304-K577 HydrophobicContact CB-CG 3.96Å; L304-K577 HydrophobicContact CD1-CB 3.2Å; L304-K577 HydrophobicContact CD1-CD 3.27Å; L304-K577 HydrophobicContact CD1-CG 2.93Å; L304-K577 HydrophobicContact CD2-CD 4.35Å; L304-K577 HydrophobicContact CG-CB 3.88Å; L304-K577 HydrophobicContact CG-CD 3.47Å; L304-K577 VanDerWaalsContact CG-CD 3.47Å; L304-K577 HydrophobicContact CG-CG 3.68Å; L304-F579 HydrophobicContact CD1-CE2 4.27Å; L304-E941 WeakPolarHBondContact O-CG 3.25Å
305P33.3Very low29.2Very low41 Ų4185.3 Ų85.327%0.26648%0.476SS..  trans-77.1132.2172.9-12.121.9000119.7R511 K577 I919 E941P305-R511 PolarHBondContact O-NH1 2.91Å; P305-K577 WeakPolarHBondContact O-CD 3.45Å; P305-I919 HydrophobicContact CG-CD1 4.27Å; P305-E941 HydrophobicContact CB-CG 3.67Å; P305-E941 WeakPolarHBondContact CB-OE1 3.44Å; P305-E941 HydrophobicContact CG-CG 3.71Å
306H32.3Very low29.9Very low126 Ų12691 Ų9158%0.58350%0.495SS*.  trans3.3137.8139.6-86.7-81.4000121E941H306-E941 IonicContact CD2-OE1 3.64Å
307D32.1Very low31Very low102 Ų10287.1 Ų87.155%0.54548%0.476SS..  trans-141142.6142.3-1633.4000110.1Q505D307-Q505 PolarHBondContact OD2-NE2 2.96Å
308S30.2Very low32.4Very low113 Ų11389 Ų8979%0.7949%0.488SS*.  trans-84.7107.1-169.744.20000112
309G31.3Very low34.4Very low63 Ų6383.4 Ų83.465%0.64946%0.462SS*.  trans-162122.4169.100000110.8P311G309-P311 WeakPolarHBondContact O-CD 3.46Å
310K27.7Very low37.2Very low215 Ų21580.3 Ų80.394%0.93545%0.45SS*.PPolyproline II helixtrans-54.8120.9179.3-68.7177.3177.5177.30110.7
311P31.2Very low40Very low112 Ų11280.4 Ų80.473%0.72745%0.449SS*.PPolyproline II helixtrans-91.2124.4175.710.96.2000111.1G309G309-P311 WeakPolarHBondContact O-CD 3.46Å
312K28.6Very low42.9Very low203 Ų20380.5 Ų80.588%0.88345%0.449SS*.SBendtrans-66.1135.1157.2-68.9178.6175.2-179.20108.1A314K312-A314 PolarHBondContact O-N 3.06Å
313E28.4Very low45.6Very low199 Ų19980.5 Ų80.593%0.9345%0.449SS*.  trans10.996.2173.3-73.1176.2147.500116.4A315E313-A315 PolarHBondContact O-N 3.06Å
314A29.7Very low48.1Very low74 Ų7480.8 Ų80.861%0.61245%0.451SS*.  trans-80.2105.4177.100000111.3K312K312-A314 PolarHBondContact O-N 3.06Å
315A30.7Very low50.6Low83 Ų8380.2 Ų80.269%0.68645%0.448SS*.  trans-58.8138.2163.700000110.9E313 T317E313-A315 PolarHBondContact O-N 3.06Å; A315-T317 PolarHBondContact O-N 2.76Å; A315-T317 VanDerWaalsContact O-N 3.14Å
316K38.4Very low52.8Low189 Ų18979.2 Ų79.282%0.82244%0.44SS*.  trans-41.8113.5177.3-64.8177.9178.7-174.30111.1
317T45.1Very low54.8Low30 Ų3074.4 Ų74.418%0.18442%0.418CS..  trans-100.6118.3170.7-12.10000108.1A315 R512 F951 W952A315-T317 PolarHBondContact O-N 2.76Å; A315-T317 VanDerWaalsContact O-N 3.14Å; T317-R512 HydrophobicContact CG2-CB 4.19Å; T317-F951 WeakPolarHBondContact O-CE1 3.32Å; T317-F951 WeakPolarHBondContact O-CZ 3.46Å; T317-W952 WeakPolarHBondContact O-CH2 3.22Å; T317-W952 WeakPolarHBondContact O-CZ2 3.07Å
318P53.6Low56.5Low73 Ų7372 Ų7247%0.47441%0.413SS..  trans-74.7147.6-179.528.7-32.2000110.6V320P318-V320 WeakPolarHBondContact O-CG2 3.43Å; P318-V320 PolarHBondContact O-N 2.86Å; P318-V320 VanDerWaalsContact O-N 3.15Å
319C67.3Low58.3Low13 Ų1370.4 Ų70.49%0.08839%0.389CS..  trans-64.7112170.9-170.40000109.6T345 Q612 C614C319-T345 WeakPolarHBondContact O-CG2 2.85Å; C319-Q612 PolarHBondContact SG-NE2 3.21Å; C319-C614 HydrophobicContact CB-CB 3.18Å; C319-C614 WeakPolarHBondContact CB-SG 2.9Å; C319-C614 WeakPolarHBondContact SG-CA 3.48Å; C319-C614 WeakPolarHBondContact SG-CB 3.45Å; C319-C614 CovalentContact SG-SG 2.01Å; C319-C614 PolarHBondContact SG-SG 3.41Å
320V84.4Confident60.1Low1 Ų168.9 Ų68.91%0.00637%0.367CS..EExtended strand (participates in β ladder)trans-90.1119-173-178.80000110P318 F322 T345 F485 L515 A580 G581 V582 Q612P318-V320 WeakPolarHBondContact O-CG2 3.43Å; P318-V320 PolarHBondContact O-N 2.86Å; P318-V320 VanDerWaalsContact O-N 3.15Å; V320-F322 HydrophobicContact CG1-CB 4.11Å; V320-T345 WeakPolarHBondContact CA-OG1 3.28Å; V320-F485 HydrophobicContact CG2-CD1 4.45Å; V320-F485 HydrophobicContact CG2-CE1 3.66Å; V320-F485 HydrophobicContact CG2-CE2 4.33Å; V320-F485 HydrophobicContact CG2-CZ 3.59Å; V320-L515 HydrophobicContact CB-CD2 3.67Å; V320-L515 HydrophobicContact CG1-CD1 4.21Å; V320-L515 HydrophobicContact CG1-CD2 3.55Å; V320-A580 HydrophobicContact CG2-CB 4.32Å; V320-A580 PolarHBondContact N-O 3.37Å; V320-G581 WeakPolarHBondContact O-CA 3.26Å; V320-V582 PolarHBondContact O-N 2.85Å; V320-V582 VanDerWaalsContact O-N 3.15Å; V320-Q612 PolarHBondContact O-NE2 3.15Å
321R87.1Confident61.9Low29 Ų2961.4 Ų61.411%0.10934%0.338CS..EExtended strand (participates in β ladder)trans-114.198.6165.7-78.1175.6-69.8152.28.4106.2G342 S343 T345 H346 M609R321-G342 PolarHBondContact NH2-O 3.25Å; R321-S343 WeakPolarHBondContact CD-O 3.44Å; R321-S343 PolarHBondContact NE-O 2.94Å; R321-S343 VanDerWaalsContact NE-O 3.17Å; R321-S343 PolarHBondContact NH1-O 3.12Å; R321-S343 PolarHBondContact NH2-O 3.11Å; R321-T345 PolarHBondContact N-OG1 2.75Å; R321-T345 PolarHBondContact O-N 3.08Å; R321-T345 PolarHBondContact O-OG1 3.33Å; R321-H346 PolarHBondContact O-N 3.11Å; R321-M609 PolarHBondContact NH1-SD 3.25Å; R321-M609 VanDerWaalsContact NH1-SD 3.42Å
322F90.2Very high63.4Low3 Ų362.3 Ų62.31%0.01334%0.343CS..EExtended strand (participates in β ladder)trans-95.2107.3-174.8-169.7-79000109.1V320 H346 S348 L384 T421 V461 L515 V582 T583 L584V320-F322 HydrophobicContact CG1-CB 4.11Å; F322-H346 HydrophobicContact CB-CB 4.38Å; F322-H346 HydrophobicContact CD2-CB 3.31Å; F322-H346 AromaticContact CD2-CG 3.93Å; F322-H346 HydrophobicContact CE2-CB 3.73Å; F322-H346 HydrophobicContact CG-CB 4.07Å; F322-S348 VanDerWaalsContact CE1-CB 3.42Å; F322-S348 VanDerWaalsContact CZ-CB 3.45Å; F322-L384 HydrophobicContact CE2-CD1 3.93Å; F322-L384 HydrophobicContact CE2-CD2 3.88Å; F322-L384 HydrophobicContact CE2-CG 4.46Å; F322-L384 HydrophobicContact CZ-CD1 4.4Å; F322-L384 HydrophobicContact CZ-CD2 4.13Å; F322-T421 VanDerWaalsContact CZ-OG1 3.28Å; F322-T421 WeakPolarHBondContact CZ-OG1 3.47Å; F322-V461 HydrophobicContact CD2-CG2 4.34Å; F322-V461 HydrophobicContact CE2-CB 4.36Å; F322-V461 HydrophobicContact CE2-CG1 4.42Å; F322-V461 HydrophobicContact CE2-CG2 3.68Å; F322-V461 HydrophobicContact CZ-CB 4.49Å; F322-V461 HydrophobicContact CZ-CG1 4.47Å; F322-V461 HydrophobicContact CZ-CG2 4.26Å; F322-L515 HydrophobicContact CB-CD1 4.04Å; F322-L515 HydrophobicContact CD2-CD1 4.44Å; F322-L515 HydrophobicContact CG-CD1 4.33Å; F322-V582 PolarHBondContact N-O 2.71Å; F322-T583 HydrophobicContact CB-CG2 4.41Å; F322-T583 HydrophobicContact CD1-CG2 3.72Å; F322-T583 HydrophobicContact CG-CG2 4.48Å; F322-T583 CarbonylContact O-C 3.51Å; F322-T583 WeakPolarHBondContact O-CA 3.08Å; F322-T583 WeakPolarHBondContact O-CG2 3.49Å; F322-L584 PolarHBondContact O-N 2.82Å
323C89.9Confident64.7Low0 Ų056.7 Ų56.70%034%0.335CS..EExtended strand (participates in β ladder)trans-100.2129.2-176.6-60.10000109.7C344 H346 V347 S348 L584 L587C323-C344 HydrophobicContact CB-CB 3.75Å; C323-C344 WeakPolarHBondContact CB-SG 3.29Å; C323-C344 WeakPolarHBondContact SG-CB 3.41Å; C323-C344 CovalentContact SG-SG 2.03Å; C323-C344 PolarHBondContact SG-SG 2.82Å; C323-H346 PolarHBondContact N-O 2.8Å; C323-V347 CarbonylContact O-C 3.52Å; C323-V347 VanDerWaalsContact O-CA 3.23Å; C323-V347 WeakPolarHBondContact O-CA 3.2Å; C323-S348 PolarHBondContact O-N 2.98Å; C323-L584 CarbonylContact C-O 3.36Å; C323-L587 HydrophobicContact CB-CD2 3.76Å
324S88.1Confident66.4Low11 Ų1149 Ų498%0.07730%0.297CS..EExtended strand (participates in β ladder)trans-110.9138.7174.8-169.50000109.9S348 L584 N586 L587S324-S348 CarbonylContact C-O 3.57Å; S324-S348 WeakPolarHBondContact CA-O 3.47Å; S324-L584 PolarHBondContact N-O 3.13Å; S324-N586 PolarHBondContact O-N 3.27Å; S324-L587 PolarHBondContact O-N 2.76Å
325I83.6Confident67.8Low4 Ų448.2 Ų48.22%0.02128%0.283CS..EExtended strand (participates in β ladder)trans-130.3130.9-177.4-66.3165.7000109.8Q327 V330 I339 V347 S348 D350 W373 L587 E588I325-Q327 PolarHBondContact O-N 3.44Å; I325-V330 HydrophobicContact CG2-CG2 3.28Å; I325-I339 HydrophobicContact CD1-CD1 3.68Å; I325-I339 HydrophobicContact CD1-CG2 4.1Å; I325-V347 HydrophobicContact CD1-CG1 4.06Å; I325-S348 PolarHBondContact N-O 2.72Å; I325-D350 WeakPolarHBondContact O-CB 3.46Å; I325-D350 PolarHBondContact O-N 3.45Å; I325-W373 HydrophobicContact CD1-CH2 3.11Å; I325-W373 HydrophobicContact CD1-CZ2 3.64Å; I325-W373 HydrophobicContact CD1-CZ3 3.96Å; I325-L587 HydrophobicContact CG1-CB 3.94Å; I325-E588 VanDerWaalsContact CA-OE2 3.25Å; I325-E588 WeakPolarHBondContact CA-OE2 3.48Å; I325-E588 HydrophobicContact CG2-CB 4.34Å
326D79.6Confident69.4Low20 Ų2045.1 Ų45.111%0.10726%0.255CS..EExtended strand (participates in β ladder)trans-83.8103.2168.9-177.2-6.8000109.7A328 R329 V330 E588D326-A328 PolarHBondContact O-N 2.61Å; D326-A328 VanDerWaalsContact OD1-CB 3.27Å; D326-A328 WeakPolarHBondContact OD1-CB 3.03Å; D326-A328 PolarHBondContact OD1-N 3.1Å; D326-A328 VanDerWaalsContact OD1-N 3.09Å; D326-R329 HydrophobicContact CB-CB 4.4Å; D326-R329 HydrophobicContact CB-CG 4.26Å; D326-R329 PolarHBondContact O-N 3.37Å; D326-R329 WeakPolarHBondContact OD2-CD 3.48Å; D326-R329 IonicContact OD2-NE 2.72Å; D326-R329 PolarHBondContact OD2-NE 2.8Å; D326-V330 PolarHBondContact O-N 2.89Å; D326-E588 PolarHBondContact N-OE2 2.87Å
327Q73.1Confident70.6Confident25 Ų2540 Ų4012%0.11724%0.236CC..THydrogen-bonded Turntrans-60.1-22.7-175.4-175.454.349.300113.2I325 R329 I349 V369I325-Q327 PolarHBondContact O-N 3.44Å; Q327-R329 PolarHBondContact O-N 2.88Å; Q327-I349 HydrophobicContact CB-CG2 3.89Å; Q327-V369 HydrophobicContact CG-CG1 4.17Å; Q327-V369 HydrophobicContact CG-CG2 4.04Å; Q327-V369 VanDerWaalsContact OE1-CG1 3.23Å
328A67.5Low71.5Confident53 Ų5339.9 Ų39.944%0.43824%0.236SC..THydrogen-bonded Turntrans-72.4-21.7177.700000113.1D326 S353D326-A328 PolarHBondContact O-N 2.61Å; D326-A328 VanDerWaalsContact OD1-CB 3.27Å; D326-A328 WeakPolarHBondContact OD1-CB 3.03Å; D326-A328 PolarHBondContact OD1-N 3.1Å; D326-A328 VanDerWaalsContact OD1-N 3.09Å; A328-S353 WeakPolarHBondContact CB-OG 3.23Å
329R69.4Low72Confident79 Ų7936.7 Ų36.730%0.29822%0.215SC..THydrogen-bonded Turntrans-101.3-10.6-178-63.8179.2-172.7-115.111.9113.5D326 Q327 N331 P523 E588D326-R329 HydrophobicContact CB-CB 4.4Å; D326-R329 HydrophobicContact CB-CG 4.26Å; D326-R329 PolarHBondContact O-N 3.37Å; D326-R329 WeakPolarHBondContact OD2-CD 3.48Å; D326-R329 IonicContact OD2-NE 2.72Å; D326-R329 PolarHBondContact OD2-NE 2.8Å; Q327-R329 PolarHBondContact O-N 2.88Å; R329-N331 PolarHBondContact O-N 3.2Å; R329-P523 PolarHBondContact NH1-O 3.41Å; R329-E588 HydrophobicContact CB-CG 3.73Å
330V69.5Low71.7Confident30 Ų3036.5 Ų36.518%0.18221%0.214CC..  trans-66.5119.2-179.8178.10000110.5I325 D326 E588I325-V330 HydrophobicContact CG2-CG2 3.28Å; D326-V330 PolarHBondContact O-N 2.89Å; V330-E588 HydrophobicContact CG2-CB 4.1Å
331N65Low70.9Confident59 Ų5941.2 Ų41.232%0.31624%0.238SC..  trans-75.3125.7168.1-172.3-24000109R329 A333 Y334R329-N331 PolarHBondContact O-N 3.2Å; N331-A333 PolarHBondContact O-N 3.46Å; N331-A333 WeakPolarHBondContact OD1-CB 3.24Å; N331-A333 PolarHBondContact OD1-N 3.1Å; N331-Y334 HydrophobicContact CB-CD1 3.98Å; N331-Y334 HydrophobicContact CB-CD2 3.51Å; N331-Y334 HydrophobicContact CB-CE1 3.61Å; N331-Y334 HydrophobicContact CB-CE2 3.15Å; N331-Y334 HydrophobicContact CB-CG 3.9Å; N331-Y334 WeakPolarHBondContact CB-OH 3.49Å; N331-Y334 VanDerWaalsContact N-CE2 3.27Å; N331-Y334 WeakPolarHBondContact O-CD2 3.06Å; N331-Y334 PolarHBondContact O-N 3.47Å
332P61.9Low70Confident130 Ų13041 Ų4184%0.84425%0.245SC*.THydrogen-bonded Turntrans-57.8-21.3177.8-23.833.1000114.5Y334P332-Y334 VanDerWaalsContact C-N 3.33Å
333A56.6Low69.4Low85 Ų8541.1 Ų41.170%0.70225%0.247SC*.THydrogen-bonded Turntrans-79.6-9.9178.900000114.1N331N331-A333 PolarHBondContact O-N 3.46Å; N331-A333 WeakPolarHBondContact OD1-CB 3.24Å; N331-A333 PolarHBondContact OD1-N 3.1Å
334Y63.4Low69.1Low37 Ų3741.1 Ų41.115%0.14525%0.247CC..SBendtrans-70.7137.4-177.5-63.6-36.2000112.6N331 P332 I336 Y530 P592N331-Y334 HydrophobicContact CB-CD1 3.98Å; N331-Y334 HydrophobicContact CB-CD2 3.51Å; N331-Y334 HydrophobicContact CB-CE1 3.61Å; N331-Y334 HydrophobicContact CB-CE2 3.15Å; N331-Y334 HydrophobicContact CB-CG 3.9Å; N331-Y334 WeakPolarHBondContact CB-OH 3.49Å; N331-Y334 VanDerWaalsContact N-CE2 3.27Å; N331-Y334 WeakPolarHBondContact O-CD2 3.06Å; N331-Y334 PolarHBondContact O-N 3.47Å; P332-Y334 VanDerWaalsContact C-N 3.33Å; Y334-I336 PolarHBondContact O-N 3.03Å; Y334-Y530 HydrophobicContact CE1-CE1 4.21Å; Y334-Y530 HydrophobicContact CE1-CE2 4.31Å; Y334-Y530 AromaticContact CE1-CZ 3.64Å; Y334-Y530 WeakPolarHBondContact CE1-OH 3.38Å; Y334-Y530 AromaticContact CZ-CE2 3.98Å; Y334-Y530 AromaticContact CZ-CZ 3.71Å; Y334-Y530 WeakPolarHBondContact OH-CE2 3.18Å; Y334-Y530 PolarHBondContact OH-OH 3.41Å; Y334-P592 HydrophobicContact CD1-CB 4.25Å; Y334-P592 HydrophobicContact CD1-CG 3.77Å; Y334-P592 HydrophobicContact CD2-CG 4.03Å; Y334-P592 HydrophobicContact CE1-CG 3.81Å; Y334-P592 HydrophobicContact CE2-CG 4Å; Y334-P592 HydrophobicContact CG-CB 4.25Å; Y334-P592 HydrophobicContact CG-CG 3.93Å
335D60.5Low68.8Low59 Ų5942 Ų4232%0.31625%0.252SS..  trans-72.395166.5-171.55.6000109.6N337 P338 R601D335-N337 PolarHBondContact O-N 3.32Å; D335-N337 WeakPolarHBondContact OD1-CB 3.32Å; D335-N337 PolarHBondContact OD1-N 3.3Å; D335-N337 PolarHBondContact OD1-ND2 3.22Å; D335-P338 VanDerWaalsContact O-CD 3.23Å; D335-P338 WeakPolarHBondContact O-CD 3.47Å; D335-R601 IonicContact OD2-NH1 3.69Å
336I62.7Low69Low18 Ų1842.9 Ų42.99%0.09226%0.256CS..  trans-76.93.6173.463.5171.8000112.8Y334 P338 I339 T340 W373 K376Y334-I336 PolarHBondContact O-N 3.03Å; I336-P338 VanDerWaalsContact C-CD 3.43Å; I336-P338 VanDerWaalsContact C-N 3.32Å; I336-I339 HydrophobicContact CB-CD1 4.22Å; I336-I339 HydrophobicContact CG2-CD1 4.23Å; I336-I339 WeakPolarHBondContact O-CA 3.48Å; I336-I339 WeakPolarHBondContact O-CB 3.5Å; I336-I339 PolarHBondContact O-N 2.92Å; I336-T340 PolarHBondContact O-N 3.2Å; I336-T340 PolarHBondContact O-OG1 3.37Å; I336-W373 HydrophobicContact CB-CH2 4.5Å; I336-W373 HydrophobicContact CD1-CD2 4.45Å; I336-W373 HydrophobicContact CD1-CH2 4.44Å; I336-W373 HydrophobicContact CD1-CZ2 4.08Å; I336-W373 HydrophobicContact CG2-CZ2 4.37Å; I336-K376 HydrophobicContact CD1-CD 3.72Å; I336-K376 HydrophobicContact CG1-CD 3.94Å
337N65.1Low69.4Low81 Ų8142 Ų4243%0.43325%0.251SS..Hα-helixtrans-54.3-40.6-179.5-68.5-26000113.2D335 I339 T340 D341D335-N337 PolarHBondContact O-N 3.32Å; D335-N337 WeakPolarHBondContact OD1-CB 3.32Å; D335-N337 PolarHBondContact OD1-N 3.3Å; D335-N337 PolarHBondContact OD1-ND2 3.22Å; N337-I339 PolarHBondContact O-N 3.32Å; N337-T340 VanDerWaalsContact CA-OG1 3.29Å; N337-T340 WeakPolarHBondContact CA-OG1 3.33Å; N337-T340 CarbonylContact O-C 3.57Å; N337-T340 WeakPolarHBondContact O-CA 3.43Å; N337-T340 PolarHBondContact O-N 2.71Å; N337-T340 PolarHBondContact O-OG1 3.13Å; N337-D341 WeakPolarHBondContact O-CB 3.39Å; N337-D341 PolarHBondContact O-N 2.79Å
338P63Low70.1Confident28 Ų2840.9 Ų40.918%0.18225%0.246CC..Hα-helixtrans-62.6-22.5175.7-25.638.6000113.7D335 I336 T340 S343 F602D335-P338 VanDerWaalsContact O-CD 3.23Å; D335-P338 WeakPolarHBondContact O-CD 3.47Å; I336-P338 VanDerWaalsContact C-CD 3.43Å; I336-P338 VanDerWaalsContact C-N 3.32Å; P338-T340 VanDerWaalsContact C-N 3.3Å; P338-S343 WeakPolarHBondContact O-CB 3.42Å; P338-S343 PolarHBondContact O-OG 3.33Å; P338-F602 HydrophobicContact CB-CD2 3.87Å; P338-F602 HydrophobicContact CB-CE2 3.86Å; P338-F602 HydrophobicContact CG-CD2 3.92Å; P338-F602 HydrophobicContact CG-CE2 3.62Å
339I65Low70.9Confident6 Ų638.4 Ų38.43%0.03123%0.225CC..Iπ-helixtrans-79.1-25.6174.7-44.1-177.5000110.1I325 I336 N337 C344 V347 W373 L587 F602I325-I339 HydrophobicContact CD1-CD1 3.68Å; I325-I339 HydrophobicContact CD1-CG2 4.1Å; I336-I339 HydrophobicContact CB-CD1 4.22Å; I336-I339 HydrophobicContact CG2-CD1 4.23Å; I336-I339 WeakPolarHBondContact O-CA 3.48Å; I336-I339 WeakPolarHBondContact O-CB 3.5Å; I336-I339 PolarHBondContact O-N 2.92Å; N337-I339 PolarHBondContact O-N 3.32Å; I339-C344 HydrophobicContact CG2-CB 4.36Å; I339-V347 HydrophobicContact CG2-CG1 4.46Å; I339-V347 HydrophobicContact CG2-CG2 3.8Å; I339-W373 HydrophobicContact CB-CH2 4.14Å; I339-W373 HydrophobicContact CB-CZ3 4.13Å; I339-W373 HydrophobicContact CD1-CH2 3.89Å; I339-W373 HydrophobicContact CG2-CH2 3.75Å; I339-W373 HydrophobicContact CG2-CZ3 3.56Å; I339-L587 HydrophobicContact CB-CD2 4.35Å; I339-L587 HydrophobicContact CD1-CD2 3.75Å; I339-L587 HydrophobicContact CD1-CG 4.23Å; I339-L587 HydrophobicContact CG1-CD2 3.69Å; I339-L587 HydrophobicContact CG2-CD2 3.91Å; I339-F602 HydrophobicContact CD1-CE1 4.28Å; I339-F602 HydrophobicContact CD1-CZ 4.48Å; I339-F602 HydrophobicContact CG1-CE1 4.37Å; I339-F602 HydrophobicContact CG1-CZ 4.41Å
340T61.1Low71.4Confident9 Ų935 Ų356%0.05521%0.213CC..Iπ-helixtrans-108.9-3.7-171.261.70000115I336 N337 P338 G342 W373 K376 T378I336-T340 PolarHBondContact O-N 3.2Å; I336-T340 PolarHBondContact O-OG1 3.37Å; N337-T340 VanDerWaalsContact CA-OG1 3.29Å; N337-T340 WeakPolarHBondContact CA-OG1 3.33Å; N337-T340 CarbonylContact O-C 3.57Å; N337-T340 WeakPolarHBondContact O-CA 3.43Å; N337-T340 PolarHBondContact O-N 2.71Å; N337-T340 PolarHBondContact O-OG1 3.13Å; P338-T340 VanDerWaalsContact C-N 3.3Å; T340-G342 VanDerWaalsContact C-N 3.32Å; T340-W373 HydrophobicContact CG2-CE3 4.46Å; T340-W373 HydrophobicContact CG2-CZ3 4.35Å; T340-K376 VanDerWaalsContact CB-O 3.3Å; T340-K376 WeakPolarHBondContact CB-O 3.22Å; T340-K376 HydrophobicContact CG2-CB 3.83Å; T340-T378 WeakPolarHBondContact O-CG2 3.43Å; T340-T378 PolarHBondContact O-N 2.72Å
341D66.6Low71.3Confident99 Ų9935.1 Ų35.153%0.52921%0.212SC..Iπ-helixtrans-85.3-0.1-179.769.7-1000114.1N337 S343N337-D341 WeakPolarHBondContact O-CB 3.39Å; N337-D341 PolarHBondContact O-N 2.79Å; D341-S343 WeakPolarHBondContact OD1-CB 3.36Å; D341-S343 PolarHBondContact OD1-N 3.38Å; D341-S343 PolarHBondContact OD1-OG 2.71Å
342G67.9Low70.8Confident24 Ų2436.3 Ų36.325%0.24722%0.218CC..Iπ-helixtrans1034.3-175.900000114.1R321 T340 C344R321-G342 PolarHBondContact NH2-O 3.25Å; T340-G342 VanDerWaalsContact C-N 3.32Å; G342-C344 VanDerWaalsContact C-N 3.32Å
343S77.6Confident70Confident7 Ų733 Ų335%0.04920%0.198CC..Iπ-helixtrans-68.2-31.7171.9-54.40000113.1R321 P338 D341 M609R321-S343 WeakPolarHBondContact CD-O 3.44Å; R321-S343 PolarHBondContact NE-O 2.94Å; R321-S343 VanDerWaalsContact NE-O 3.17Å; R321-S343 PolarHBondContact NH1-O 3.12Å; R321-S343 PolarHBondContact NH2-O 3.11Å; P338-S343 WeakPolarHBondContact O-CB 3.42Å; P338-S343 PolarHBondContact O-OG 3.33Å; D341-S343 WeakPolarHBondContact OD1-CB 3.36Å; D341-S343 PolarHBondContact OD1-N 3.38Å; D341-S343 PolarHBondContact OD1-OG 2.71Å; S343-M609 WeakPolarHBondContact CB-SD 3.29Å; S343-M609 VanDerWaalsContact OG-CE 3.26Å; S343-M609 WeakPolarHBondContact OG-CE 3.32Å; S343-M609 PolarHBondContact OG-SD 3.42Å; S343-M609 VanDerWaalsContact OG-SD 3.38Å
344C83.4Confident69.6Low0 Ų033.2 Ų33.20%018%0.183CC..  trans-106125.5170-60.20000109.6C323 I339 G342 V347 T381C323-C344 HydrophobicContact CB-CB 3.75Å; C323-C344 WeakPolarHBondContact CB-SG 3.29Å; C323-C344 WeakPolarHBondContact SG-CB 3.41Å; C323-C344 CovalentContact SG-SG 2.03Å; C323-C344 PolarHBondContact SG-SG 2.82Å; I339-C344 HydrophobicContact CG2-CB 4.36Å; G342-C344 VanDerWaalsContact C-N 3.32Å; C344-V347 HydrophobicContact CB-CG2 3.8Å; C344-T381 WeakPolarHBondContact O-CG2 2.9Å; C344-T381 PolarHBondContact O-OG1 3.39Å; C344-T381 VanDerWaalsContact O-OG1 3.07Å
345T82.9Confident68.5Low30 Ų3038.5 Ų38.518%0.18421%0.214CC..SBendtrans-83-25.7173.6620000111.6C319 V320 R321 T381 A382C319-T345 WeakPolarHBondContact O-CG2 2.85Å; V320-T345 WeakPolarHBondContact CA-OG1 3.28Å; R321-T345 PolarHBondContact N-OG1 2.75Å; R321-T345 PolarHBondContact O-N 3.08Å; R321-T345 PolarHBondContact O-OG1 3.33Å; T345-T381 WeakPolarHBondContact O-CA 3.35Å; T345-A382 PolarHBondContact O-N 2.92Å
346H88Confident67.6Low22 Ų2244.8 Ų44.810%0.10224%0.242CC..EExtended strand (participates in β ladder)trans-135.3138.7174.9-59.670.9000108.5R321 F322 C323 A382 L384 L459 F485R321-H346 PolarHBondContact O-N 3.11Å; F322-H346 HydrophobicContact CB-CB 4.38Å; F322-H346 HydrophobicContact CD2-CB 3.31Å; F322-H346 AromaticContact CD2-CG 3.93Å; F322-H346 HydrophobicContact CE2-CB 3.73Å; F322-H346 HydrophobicContact CG-CB 4.07Å; C323-H346 PolarHBondContact N-O 2.8Å; H346-A382 CarbonylContact C-O 3.38Å; H346-A382 WeakPolarHBondContact CA-O 3.33Å; H346-L384 HydrophobicContact CB-CD1 4.08Å; H346-L459 WeakPolarHBondContact CD2-CD2 3.44Å; H346-L459 WeakPolarHBondContact NE2-CD2 3.02Å; H346-F485 AromaticContact NE2-CE2 3.94Å
347V87.4Confident66.6Low2 Ų253 Ų531%0.01228%0.277CS..EExtended strand (participates in β ladder)trans-124.8125.9175.1179.80000108.5C323 I325 I339 C344 W373 T381 A382 L383 L384C323-V347 CarbonylContact O-C 3.52Å; C323-V347 VanDerWaalsContact O-CA 3.23Å; C323-V347 WeakPolarHBondContact O-CA 3.2Å; I325-V347 HydrophobicContact CD1-CG1 4.06Å; I339-V347 HydrophobicContact CG2-CG1 4.46Å; I339-V347 HydrophobicContact CG2-CG2 3.8Å; C344-V347 HydrophobicContact CB-CG2 3.8Å; V347-W373 HydrophobicContact CB-CZ3 4.42Å; V347-W373 HydrophobicContact CG1-CE3 4.01Å; V347-W373 HydrophobicContact CG1-CH2 4.22Å; V347-W373 HydrophobicContact CG1-CZ3 3.6Å; V347-W373 HydrophobicContact CG2-CZ3 4.3Å; V347-T381 HydrophobicContact CG2-CG2 3.84Å; V347-A382 PolarHBondContact N-O 3Å; V347-L383 HydrophobicContact CB-CD1 3.97Å; V347-L383 HydrophobicContact CG1-CD1 4.06Å; V347-L383 CarbonylContact O-C 3.55Å; V347-L383 WeakPolarHBondContact O-CA 3.05Å; V347-L384 PolarHBondContact O-N 2.94Å
348S87.3Confident65.4Low0 Ų057.2 Ų57.20%030%0.299CS..EExtended strand (participates in β ladder)trans-111.2130176.5-148.60000109.9F322 C323 S324 I325 L384 T386 T421F322-S348 VanDerWaalsContact CE1-CB 3.42Å; F322-S348 VanDerWaalsContact CZ-CB 3.45Å; C323-S348 PolarHBondContact O-N 2.98Å; S324-S348 CarbonylContact C-O 3.57Å; S324-S348 WeakPolarHBondContact CA-O 3.47Å; I325-S348 PolarHBondContact N-O 2.72Å; S348-L384 WeakPolarHBondContact CA-O 3.43Å; S348-T386 WeakPolarHBondContact CB-OG1 3.33Å; S348-T386 PolarHBondContact OG-OG1 2.79Å; S348-T421 PolarHBondContact OG-OG1 2.96Å
349I84.5Confident64.3Low1 Ų160.1 Ų60.11%0.00532%0.32CS..EExtended strand (participates in β ladder)trans-95.8119.5176.9-56.6172.4000107.9Q327 V369 V370 L383 L384 L385 T386Q327-I349 HydrophobicContact CB-CG2 3.89Å; I349-V369 HydrophobicContact CD1-CG1 4.22Å; I349-V370 HydrophobicContact CD1-CG2 4.27Å; I349-L383 HydrophobicContact CD1-CD1 4.06Å; I349-L383 HydrophobicContact CD1-CD2 4.49Å; I349-L383 HydrophobicContact CD1-CG 4.42Å; I349-L383 HydrophobicContact CG1-CD1 4.26Å; I349-L384 PolarHBondContact N-O 2.99Å; I349-L385 HydrophobicContact CB-CD1 4.06Å; I349-L385 HydrophobicContact CG2-CD1 4.4Å; I349-T386 PolarHBondContact O-N 2.97Å
350D79.2Confident63.4Low9 Ų965.5 Ų65.55%0.04836%0.358CS..EExtended strand (participates in β ladder)trans-86.9140.2175.8-157.1-17.2000111.4I325 D352 K423I325-D350 WeakPolarHBondContact O-CB 3.46Å; I325-D350 PolarHBondContact O-N 3.45Å; D350-D352 PolarHBondContact OD1-N 3.16Å; D350-K423 IonicContact OD1-NZ 3.51Å; D350-K423 IonicContact OD2-NZ 2.86Å; D350-K423 PolarHBondContact OD2-NZ 3.44Å
351M67.9Low62.9Low31 Ų3172.3 Ų72.315%0.15339%0.39CS..  trans-121.46.2-172-71.7-158.272.100113.6S353 F354 L366 L385M351-S353 PolarHBondContact O-N 3.3Å; M351-F354 HydrophobicContact CE-CB 4.37Å; M351-F354 HydrophobicContact CE-CD2 3.59Å; M351-F354 HydrophobicContact CE-CE2 4.13Å; M351-F354 HydrophobicContact CE-CG 4.1Å; M351-F354 PolarHBondContact O-N 3.31Å; M351-L366 HydrophobicContact CE-CD1 4.43Å; M351-L366 HydrophobicContact CE-CD2 3.77Å; M351-L366 HydrophobicContact SD-CD1 4.32Å; M351-L366 HydrophobicContact SD-CD2 3.83Å; M351-L385 HydrophobicContact CG-CD1 3.83Å; M351-L385 HydrophobicContact CG-CG 4.47Å; M351-L385 HydrophobicContact SD-CD1 3.76Å; M351-L385 HydrophobicContact SD-CD2 4.02Å; M351-L385 HydrophobicContact SD-CG 4.14Å
352D55.2Low62.4Low84 Ų8468.4 Ų68.445%0.44937%0.369SS..THydrogen-bonded Turntrans-58.13.7-170.8-79.5-18000116.3D350 D388 K423D350-D352 PolarHBondContact OD1-N 3.16Å; D352-D388 WeakPolarHBondContact OD1-CB 3.37Å; D352-K423 IonicContact OD2-NZ 3.63Å; D352-K423 PolarHBondContact OD2-NZ 3.32Å
353S45.5Very low62.3Low60 Ų6070.2 Ų70.242%0.4237%0.373SS..THydrogen-bonded Turntrans-117.41.4175.2670000115.6A328 M351 D355A328-S353 WeakPolarHBondContact CB-OG 3.23Å; M351-S353 PolarHBondContact O-N 3.3Å; S353-D355 VanDerWaalsContact C-N 3.3Å; S353-D355 PolarHBondContact O-N 2.87Å
354F46.7Very low61.9Low91 Ų9175 Ų7540%0.39940%0.395SS..SBendtrans-78.290.3168.4-81.4-79.2000108.9M351 D363M351-F354 HydrophobicContact CE-CB 4.37Å; M351-F354 HydrophobicContact CE-CD2 3.59Å; M351-F354 HydrophobicContact CE-CE2 4.13Å; M351-F354 HydrophobicContact CE-CG 4.1Å; M351-F354 PolarHBondContact O-N 3.31Å; F354-D363 WeakPolarHBondContact CE1-OD2 3.39Å; F354-D363 VanDerWaalsContact CZ-OD2 3.31Å; F354-D363 WeakPolarHBondContact CZ-OD2 3.5Å
355D41.8Very low61.1Low148 Ų14882 Ų8279%0.79142%0.421SS*.  trans-45.6145.9-171.3-135-19.8000114.4S353 K357S353-D355 VanDerWaalsContact C-N 3.3Å; S353-D355 PolarHBondContact O-N 2.87Å; D355-K357 PolarHBondContact O-N 3.12Å
356Q41.6Very low60.5Low191 Ų19181.1 Ų81.189%0.89342%0.415SS*.SBendtrans-70.540.2-164.8-67.9179.7-2400115.9
357K41.6Very low59.9Low191 Ų19184.1 Ų84.183%0.8343%0.426SS*.SBendtrans-136.7112176.6-72.6-177.2178.4174.70111.3D355D355-K357 PolarHBondContact O-N 3.12Å
358D39.9Very low59.2Low169 Ų16989.2 Ų89.290%0.90445%0.452SS*.  trans35.692.2159.6-85.6-31.3000117
359S39.5Very low58.6Low89 Ų8990 Ų9062%0.62246%0.457SS*.  trans-132.6105.5152.251.90000109.8E361S359-E361 PolarHBondContact O-N 3.29Å
360S44.9Very low58.2Low119 Ų11990 Ų9083%0.83246%0.457SS*.  trans-70.810.6171.2500000113.3
361E50.9Low58.2Low152 Ų15297 Ų9771%0.7148%0.483SS*.SBendtrans-134138.8-175.9-101.6178146.200110.6S359 D363S359-E361 PolarHBondContact O-N 3.29Å; E361-D363 PolarHBondContact O-N 3.4Å
362V57.3Low58.6Low17 Ų1798 Ų9810%0.10349%0.491CS..  trans-58.3110.3163.3-177.50000106.6E364 L366 R367 V411 E414 L415V362-E364 PolarHBondContact O-N 3Å; V362-L366 HydrophobicContact CG1-CD2 4.25Å; V362-R367 HydrophobicContact CB-CG 4.37Å; V362-R367 HydrophobicContact CG1-CG 3.57Å; V362-V411 HydrophobicContact CG2-CG1 4.46Å; V362-V411 HydrophobicContact CG2-CG2 4.3Å; V362-E414 WeakPolarHBondContact CG2-OE2 3.31Å; V362-L415 HydrophobicContact CG1-CD1 4.35Å; V362-L415 HydrophobicContact CG1-CD2 3.76Å; V362-L415 HydrophobicContact CG1-CG 4.23Å
363D65.2Low59.6Low61 Ų6194.5 Ų94.533%0.32647%0.471SS..  trans-47.3124.9176.2-178.7-0.7000109.3F354 E361 R365 L366 R367F354-D363 WeakPolarHBondContact CE1-OD2 3.39Å; F354-D363 VanDerWaalsContact CZ-OD2 3.31Å; F354-D363 WeakPolarHBondContact CZ-OD2 3.5Å; E361-D363 PolarHBondContact O-N 3.4Å; D363-R365 PolarHBondContact O-N 2.72Å; D363-R365 VanDerWaalsContact O-N 3.09Å; D363-R365 VanDerWaalsContact OD1-CB 3.28Å; D363-R365 WeakPolarHBondContact OD1-CB 3.38Å; D363-R365 PolarHBondContact OD1-N 3.49Å; D363-R365 WeakPolarHBondContact OD2-CB 3.28Å; D363-L366 HydrophobicContact CB-CB 4.31Å; D363-L366 WeakPolarHBondContact O-CA 3.36Å; D363-L366 WeakPolarHBondContact O-CB 3.34Å; D363-L366 PolarHBondContact O-N 3.01Å; D363-R367 PolarHBondContact O-N 3.06Å; D363-R367 VanDerWaalsContact O-N 3.07Å
364E68.5Low61.1Low108 Ų10895.5 Ų95.551%0.50547%0.468SS..Hα-helixtrans-55.2-27.6176.8-88.4-61.9149.300111.1V362 R367 L368V362-E364 PolarHBondContact O-N 3Å; E364-R367 PolarHBondContact O-N 3.36Å; E364-R367 VanDerWaalsContact OE1-CD 3.28Å; E364-R367 WeakPolarHBondContact OE1-CD 3.24Å; E364-R367 IonicContact OE1-CZ 3.47Å; E364-R367 IonicContact OE1-NE 3.21Å; E364-R367 IonicContact OE1-NH1 3.74Å; E364-R367 PolarHBondContact OE1-NH1 2.74Å; E364-L368 WeakPolarHBondContact O-CB 3.41Å; E364-L368 PolarHBondContact O-N 2.97Å
365R66.7Low62.6Low148 Ų14898.4 Ų98.456%0.55849%0.487SS*.Hα-helixtrans-61.9-44170.9-165176.6177.7172.5-1.9112.1D363 L368 V369D363-R365 PolarHBondContact O-N 2.72Å; D363-R365 VanDerWaalsContact O-N 3.09Å; D363-R365 VanDerWaalsContact OD1-CB 3.28Å; D363-R365 WeakPolarHBondContact OD1-CB 3.38Å; D363-R365 PolarHBondContact OD1-N 3.49Å; D363-R365 WeakPolarHBondContact OD2-CB 3.28Å; R365-L368 PolarHBondContact O-N 3.26Å; R365-V369 VanDerWaalsContact O-CG2 3.23Å; R365-V369 WeakPolarHBondContact O-CG2 3.3Å; R365-V369 PolarHBondContact O-N 2.93Å
366L70.3Confident64Low10 Ų1095.8 Ų95.85%0.05247%0.468CS..Hα-helixtrans-65.3-40.1175.7-178.663.3000111.2M351 V362 D363 L368 V369 V370 L385 V411 L415M351-L366 HydrophobicContact CE-CD1 4.43Å; M351-L366 HydrophobicContact CE-CD2 3.77Å; M351-L366 HydrophobicContact SD-CD1 4.32Å; M351-L366 HydrophobicContact SD-CD2 3.83Å; V362-L366 HydrophobicContact CG1-CD2 4.25Å; D363-L366 HydrophobicContact CB-CB 4.31Å; D363-L366 WeakPolarHBondContact O-CA 3.36Å; D363-L366 WeakPolarHBondContact O-CB 3.34Å; D363-L366 PolarHBondContact O-N 3.01Å; L366-L368 PolarHBondContact O-N 3.17Å; L366-V369 PolarHBondContact O-N 3.22Å; L366-V370 HydrophobicContact CD1-CG2 4.27Å; L366-V370 WeakPolarHBondContact O-CG2 3.29Å; L366-V370 PolarHBondContact O-N 2.03Å; L366-L385 HydrophobicContact CD1-CD1 4.49Å; L366-V411 HydrophobicContact CD2-CG1 4.43Å; L366-L415 HydrophobicContact CD2-CD1 3.64Å; L366-L415 HydrophobicContact CG-CD1 3.89Å
367R75.9Confident65.3Low86 Ų8689.2 Ų89.233%0.32544%0.437SS..Hα-helixtrans-60.9-45174.7-70179.7172.6-175.8-0.1111.8V362 D363 E364 V370 R371 L415V362-R367 HydrophobicContact CB-CG 4.37Å; V362-R367 HydrophobicContact CG1-CG 3.57Å; D363-R367 PolarHBondContact O-N 3.06Å; D363-R367 VanDerWaalsContact O-N 3.07Å; E364-R367 PolarHBondContact O-N 3.36Å; E364-R367 VanDerWaalsContact OE1-CD 3.28Å; E364-R367 WeakPolarHBondContact OE1-CD 3.24Å; E364-R367 IonicContact OE1-CZ 3.47Å; E364-R367 IonicContact OE1-NE 3.21Å; E364-R367 IonicContact OE1-NH1 3.74Å; E364-R367 PolarHBondContact OE1-NH1 2.74Å; R367-V370 PolarHBondContact O-N 3.39Å; R367-R371 WeakPolarHBondContact O-CB 3.3Å; R367-R371 VanDerWaalsContact O-CG 3.26Å; R367-R371 WeakPolarHBondContact O-CG 3.42Å; R367-R371 PolarHBondContact O-N 3.06Å; R367-L415 HydrophobicContact CG-CD2 4Å
368L73.6Confident66.4Low108 Ų10882 Ų8257%0.56541%0.409SS*.Hα-helixtrans-63.1-44.4178.7-176.166.4000111.5E364 R365 L366 R371 T372E364-L368 WeakPolarHBondContact O-CB 3.41Å; E364-L368 PolarHBondContact O-N 2.97Å; R365-L368 PolarHBondContact O-N 3.26Å; L366-L368 PolarHBondContact O-N 3.17Å; L368-R371 PolarHBondContact O-N 2.01Å; L368-T372 WeakPolarHBondContact O-CB 3.1Å; L368-T372 PolarHBondContact O-N 3Å; L368-T372 PolarHBondContact O-OG1 3.15Å
369V73.1Confident67.4Low16 Ų1684.4 Ų84.410%0.09741%0.411CS..Hα-helixtrans-58.5-57.7174.5169.60000109.6Q327 I349 R365 L366 R371 T372 W373Q327-V369 HydrophobicContact CG-CG1 4.17Å; Q327-V369 HydrophobicContact CG-CG2 4.04Å; Q327-V369 VanDerWaalsContact OE1-CG1 3.23Å; I349-V369 HydrophobicContact CD1-CG1 4.22Å; R365-V369 VanDerWaalsContact O-CG2 3.23Å; R365-V369 WeakPolarHBondContact O-CG2 3.3Å; R365-V369 PolarHBondContact O-N 2.93Å; L366-V369 PolarHBondContact O-N 3.22Å; V369-R371 VanDerWaalsContact C-N 3.29Å; V369-R371 PolarHBondContact O-N 2.88Å; V369-T372 WeakPolarHBondContact O-CB 3.42Å; V369-T372 PolarHBondContact O-N 2.96Å; V369-W373 PolarHBondContact O-N 2.8Å
370V76.9Confident68.6Low3 Ų385.8 Ų85.82%0.01842%0.416CS..Hα-helixtrans-57.8-41-178170.90000112.1I349 L366 R367 T372 W373 K374 L383 L415 L417I349-V370 HydrophobicContact CD1-CG2 4.27Å; L366-V370 HydrophobicContact CD1-CG2 4.27Å; L366-V370 WeakPolarHBondContact O-CG2 3.29Å; L366-V370 PolarHBondContact O-N 2.03Å; R367-V370 PolarHBondContact O-N 3.39Å; V370-T372 PolarHBondContact O-N 3.19Å; V370-W373 PolarHBondContact O-N 2.95Å; V370-K374 HydrophobicContact CG1-CD 4Å; V370-K374 HydrophobicContact CG1-CG 4.3Å; V370-K374 WeakPolarHBondContact O-CB 3.3Å; V370-K374 VanDerWaalsContact O-CG 3.29Å; V370-K374 WeakPolarHBondContact O-CG 3.34Å; V370-K374 PolarHBondContact O-N 3.41Å; V370-L383 HydrophobicContact CG1-CD2 4.36Å; V370-L415 HydrophobicContact CB-CD2 4.33Å; V370-L415 HydrophobicContact CG1-CB 4.27Å; V370-L415 HydrophobicContact CG2-CD1 4.19Å; V370-L415 HydrophobicContact CG2-CD2 4.28Å; V370-L417 HydrophobicContact CG1-CD2 3.65Å; V370-L417 HydrophobicContact CG2-CD2 4.11Å
371R79.9Confident70Confident154 Ų15480.3 Ų80.358%0.58138%0.378SS*.Hα-helixtrans-59.3-46.1174.5-77.7176.5-179.3171.73.4111.8R367 L368 V369 K374 L375R367-R371 WeakPolarHBondContact O-CB 3.3Å; R367-R371 VanDerWaalsContact O-CG 3.26Å; R367-R371 WeakPolarHBondContact O-CG 3.42Å; R367-R371 PolarHBondContact O-N 3.06Å; L368-R371 PolarHBondContact O-N 2.01Å; V369-R371 VanDerWaalsContact C-N 3.29Å; V369-R371 PolarHBondContact O-N 2.88Å; R371-K374 PolarHBondContact O-N 2.76Å; R371-L375 WeakPolarHBondContact O-CG 3.48Å; R371-L375 PolarHBondContact O-N 2.92Å; R371-L375 VanDerWaalsContact O-N 3.11Å
372T75.7Confident71.6Confident52 Ų5273.9 Ų73.932%0.31935%0.351SS..Hα-helixtrans-62.3-45.7179.7-56.20000111.4L368 V369 V370 L375 K376L368-T372 WeakPolarHBondContact O-CB 3.1Å; L368-T372 PolarHBondContact O-N 3Å; L368-T372 PolarHBondContact O-OG1 3.15Å; V369-T372 WeakPolarHBondContact O-CB 3.42Å; V369-T372 PolarHBondContact O-N 2.96Å; V370-T372 PolarHBondContact O-N 3.19Å; T372-L375 PolarHBondContact O-N 3.09Å; T372-K376 HydrophobicContact CG2-CD 4.31Å; T372-K376 PolarHBondContact O-N 2.83Å; T372-K376 VanDerWaalsContact O-N 3.14Å
373W76.1Confident72.9Confident11 Ų1173.2 Ų73.24%0.04235%0.347CS..Hα-helixtrans-66.5-39.1179.2-80.179.2000112.5I325 I336 I339 T340 V347 V369 V370 L375 K376 K377 L383I325-W373 HydrophobicContact CD1-CH2 3.11Å; I325-W373 HydrophobicContact CD1-CZ2 3.64Å; I325-W373 HydrophobicContact CD1-CZ3 3.96Å; I336-W373 HydrophobicContact CB-CH2 4.5Å; I336-W373 HydrophobicContact CD1-CD2 4.45Å; I336-W373 HydrophobicContact CD1-CH2 4.44Å; I336-W373 HydrophobicContact CD1-CZ2 4.08Å; I336-W373 HydrophobicContact CG2-CZ2 4.37Å; I339-W373 HydrophobicContact CB-CH2 4.14Å; I339-W373 HydrophobicContact CB-CZ3 4.13Å; I339-W373 HydrophobicContact CD1-CH2 3.89Å; I339-W373 HydrophobicContact CG2-CH2 3.75Å; I339-W373 HydrophobicContact CG2-CZ3 3.56Å; T340-W373 HydrophobicContact CG2-CE3 4.46Å; T340-W373 HydrophobicContact CG2-CZ3 4.35Å; V347-W373 HydrophobicContact CB-CZ3 4.42Å; V347-W373 HydrophobicContact CG1-CE3 4.01Å; V347-W373 HydrophobicContact CG1-CH2 4.22Å; V347-W373 HydrophobicContact CG1-CZ3 3.6Å; V347-W373 HydrophobicContact CG2-CZ3 4.3Å; V369-W373 PolarHBondContact O-N 2.8Å; V370-W373 PolarHBondContact O-N 2.95Å; W373-L375 VanDerWaalsContact C-N 3.3Å; W373-L375 PolarHBondContact O-N 3.07Å; W373-K376 PolarHBondContact O-N 3.28Å; W373-K377 WeakPolarHBondContact O-CB 3.46Å; W373-K377 PolarHBondContact O-N 3.15Å; W373-L383 HydrophobicContact CB-CD1 4.41Å; W373-L383 HydrophobicContact CB-CD2 3.99Å; W373-L383 HydrophobicContact CE3-CD1 4.32Å
374K78.2Confident74Confident82 Ų8270.3 Ų70.336%0.35733%0.331SS..Hα-helixtrans-62.7-34.5173.9-79.9-179.3167.8-168.30113.6V370 R371 L383 L415 G416V370-K374 HydrophobicContact CG1-CD 4Å; V370-K374 HydrophobicContact CG1-CG 4.3Å; V370-K374 WeakPolarHBondContact O-CB 3.3Å; V370-K374 VanDerWaalsContact O-CG 3.29Å; V370-K374 WeakPolarHBondContact O-CG 3.34Å; V370-K374 PolarHBondContact O-N 3.41Å; R371-K374 PolarHBondContact O-N 2.76Å; K374-L383 HydrophobicContact CG-CD2 4.28Å; K374-L415 VanDerWaalsContact CE-O 3.27Å; K374-L415 WeakPolarHBondContact CE-O 3.37Å; K374-L415 PolarHBondContact NZ-O 3.01Å; K374-G416 WeakPolarHBondContact CE-O 3.04Å; K374-G416 VanDerWaalsContact NZ-C 3.26Å; K374-G416 PolarHBondContact NZ-O 3.22Å
375L76.9Confident74.8Confident151 Ų15165.2 Ų65.279%0.79131%0.307SS*.Hα-helixtrans-73.9-33.2177.3-73.4168.2000112.4R371 T372 W373R371-L375 WeakPolarHBondContact O-CG 3.48Å; R371-L375 PolarHBondContact O-N 2.92Å; R371-L375 VanDerWaalsContact O-N 3.11Å; T372-L375 PolarHBondContact O-N 3.09Å; W373-L375 VanDerWaalsContact C-N 3.3Å; W373-L375 PolarHBondContact O-N 3.07Å
376K70.7Confident75.6Confident93 Ų9358.2 Ų58.240%0.40428%0.281SS..Hα-helixtrans-89.4-27.9-176-71.1-178.8169.8-166.90114.1I336 T340 T372 W373I336-K376 HydrophobicContact CD1-CD 3.72Å; I336-K376 HydrophobicContact CG1-CD 3.94Å; T340-K376 VanDerWaalsContact CB-O 3.3Å; T340-K376 WeakPolarHBondContact CB-O 3.22Å; T340-K376 HydrophobicContact CG2-CB 3.83Å; T372-K376 HydrophobicContact CG2-CD 4.31Å; T372-K376 PolarHBondContact O-N 2.83Å; T372-K376 VanDerWaalsContact O-N 3.14Å; W373-K376 PolarHBondContact O-N 3.28Å
377K69.3Low75.9Confident54 Ų5458.4 Ų58.424%0.23528%0.281CS..SBendtrans-62.7147.7-175.573.9176.6-164.2156.10113.6W373 T381 D418W373-K377 WeakPolarHBondContact O-CB 3.46Å; W373-K377 PolarHBondContact O-N 3.15Å; K377-T381 WeakPolarHBondContact CD-O 3.17Å; K377-T381 PolarHBondContact NZ-O 3.27Å; K377-D418 IonicContact NZ-OD2 3.64Å; K377-D418 PolarHBondContact NZ-OD2 2.82Å
378T64.3Low75.5Confident39 Ų3956.8 Ų56.824%0.23928%0.279CS..  trans-63.2157.4164.872.70000111.2T340 T380 T381T340-T378 WeakPolarHBondContact O-CG2 3.43Å; T340-T378 PolarHBondContact O-N 2.72Å; T378-T380 PolarHBondContact O-N 3.13Å; T378-T380 PolarHBondContact OG1-N 3.17Å; T378-T380 PolarHBondContact OG1-OG1 3.03Å; T378-T381 PolarHBondContact O-N 3.07Å; T378-T381 VanDerWaalsContact O-N 3.16Å; T378-T381 PolarHBondContact OG1-N 3.37Å; T378-T381 PolarHBondContact OG1-OG1 3.37Å
379K61.1Low74.9Confident219 Ų21951.7 Ų51.795%0.95225%0.253SS*.THydrogen-bonded Turntrans-57.1-18173.3-70.9-173.4178.6-1790113.7
380T64.5Low74Confident118 Ų11853.6 Ų53.672%0.72427%0.267SS*.THydrogen-bonded Turntrans-98.8-8.7-175.9460000114.3T378T378-T380 PolarHBondContact O-N 3.13Å; T378-T380 PolarHBondContact OG1-N 3.17Å; T378-T380 PolarHBondContact OG1-OG1 3.03Å
381T75.5Confident72.8Confident5 Ų555.3 Ų55.33%0.03127%0.274CS..  trans-90.1123.8-177.4-56.20000111C344 T345 V347 K377 T378C344-T381 WeakPolarHBondContact O-CG2 2.9Å; C344-T381 PolarHBondContact O-OG1 3.39Å; C344-T381 VanDerWaalsContact O-OG1 3.07Å; T345-T381 WeakPolarHBondContact O-CA 3.35Å; V347-T381 HydrophobicContact CG2-CG2 3.84Å; K377-T381 WeakPolarHBondContact CD-O 3.17Å; K377-T381 PolarHBondContact NZ-O 3.27Å; T378-T381 PolarHBondContact O-N 3.07Å; T378-T381 VanDerWaalsContact O-N 3.16Å; T378-T381 PolarHBondContact OG1-N 3.37Å; T378-T381 PolarHBondContact OG1-OG1 3.37Å
382A83.6Confident71.4Confident17 Ų1749 Ų4914%0.1425%0.252CS..EExtended strand (participates in β ladder)trans-83.3139172.700000110.8T345 H346 V347 L384 D418T345-A382 PolarHBondContact O-N 2.92Å; H346-A382 CarbonylContact C-O 3.38Å; H346-A382 WeakPolarHBondContact CA-O 3.33Å; V347-A382 PolarHBondContact N-O 3Å; A382-L384 HydrophobicContact CB-CD1 4.14Å; A382-D418 WeakPolarHBondContact CA-OD2 3.01Å; A382-D418 HydrophobicContact CB-CB 3.99Å
383L85.2Confident70Confident3 Ų349.7 Ų49.72%0.01626%0.256CS..EExtended strand (participates in β ladder)trans-112.2124.8177.8-168.366.3000110V347 I349 V370 W373 K374 L417 D418V347-L383 HydrophobicContact CB-CD1 3.97Å; V347-L383 HydrophobicContact CG1-CD1 4.06Å; V347-L383 CarbonylContact O-C 3.55Å; V347-L383 WeakPolarHBondContact O-CA 3.05Å; I349-L383 HydrophobicContact CD1-CD1 4.06Å; I349-L383 HydrophobicContact CD1-CD2 4.49Å; I349-L383 HydrophobicContact CD1-CG 4.42Å; I349-L383 HydrophobicContact CG1-CD1 4.26Å; V370-L383 HydrophobicContact CG1-CD2 4.36Å; W373-L383 HydrophobicContact CB-CD1 4.41Å; W373-L383 HydrophobicContact CB-CD2 3.99Å; W373-L383 HydrophobicContact CE3-CD1 4.32Å; K374-L383 HydrophobicContact CG-CD2 4.28Å; L383-L417 HydrophobicContact CB-CD2 4.17Å; L383-L417 HydrophobicContact CD2-CD2 3.46Å; L383-L417 VanDerWaalsContact CD2-CD2 3.46Å; L383-L417 HydrophobicContact CG-CD2 3.7Å; L383-D418 PolarHBondContact N-OD2 3.19Å; L383-D418 PolarHBondContact O-N 2.75Å
384L88.5Confident68.5Low0 Ų050.9 Ų50.90%027%0.268CS..EExtended strand (participates in β ladder)trans-123.8162.1-175.7-6487000111.2F322 H346 V347 S348 I349 A382 G419 L459 V461F322-L384 HydrophobicContact CE2-CD1 3.93Å; F322-L384 HydrophobicContact CE2-CD2 3.88Å; F322-L384 HydrophobicContact CE2-CG 4.46Å; F322-L384 HydrophobicContact CZ-CD1 4.4Å; F322-L384 HydrophobicContact CZ-CD2 4.13Å; H346-L384 HydrophobicContact CB-CD1 4.08Å; V347-L384 PolarHBondContact O-N 2.94Å; S348-L384 WeakPolarHBondContact CA-O 3.43Å; I349-L384 PolarHBondContact N-O 2.99Å; A382-L384 HydrophobicContact CB-CD1 4.14Å; L384-G419 VanDerWaalsContact CA-O 3.3Å; L384-G419 WeakPolarHBondContact CA-O 3.39Å; L384-L459 HydrophobicContact CD1-CD2 4.09Å; L384-L459 HydrophobicContact CD2-CD2 3.89Å; L384-L459 HydrophobicContact CD2-CG 4.29Å; L384-L459 HydrophobicContact CG-CD2 4.37Å; L384-V461 HydrophobicContact CD2-CG2 3.84Å
385L85.6Confident66.9Low0 Ų054.8 Ų54.80%029%0.285CS..EExtended strand (participates in β ladder)trans-114.6131.6171.9-159.459.5000110I349 M351 L366 F387 V411 L417 G419 L420 T421I349-L385 HydrophobicContact CB-CD1 4.06Å; I349-L385 HydrophobicContact CG2-CD1 4.4Å; M351-L385 HydrophobicContact CG-CD1 3.83Å; M351-L385 HydrophobicContact CG-CG 4.47Å; M351-L385 HydrophobicContact SD-CD1 3.76Å; M351-L385 HydrophobicContact SD-CD2 4.02Å; M351-L385 HydrophobicContact SD-CG 4.14Å; L366-L385 HydrophobicContact CD1-CD1 4.49Å; L385-F387 HydrophobicContact CB-CE2 4.27Å; L385-F387 HydrophobicContact CB-CZ 4.07Å; L385-F387 HydrophobicContact CD2-CE1 3.73Å; L385-F387 HydrophobicContact CD2-CE2 4.37Å; L385-F387 HydrophobicContact CD2-CZ 3.41Å; L385-F387 VanDerWaalsContact CD2-CZ 3.41Å; L385-F387 HydrophobicContact CG-CE1 3.92Å; L385-F387 HydrophobicContact CG-CE2 4.38Å; L385-F387 HydrophobicContact CG-CZ 3.73Å; L385-V411 HydrophobicContact CD2-CG1 4.16Å; L385-L417 HydrophobicContact CB-CD1 3.78Å; L385-L417 HydrophobicContact CD1-CD1 4.46Å; L385-L417 HydrophobicContact CD2-CD1 4.28Å; L385-L417 HydrophobicContact CG-CD1 4.43Å; L385-G419 PolarHBondContact N-O 2.92Å; L385-L420 CarbonylContact O-C 3.39Å; L385-L420 VanDerWaalsContact O-CA 3.24Å; L385-L420 WeakPolarHBondContact O-CA 3.03Å; L385-L420 WeakPolarHBondContact O-CB 3.26Å; L385-T421 PolarHBondContact O-N 3.5Å
386T83.6Confident65.2Low2 Ų255.9 Ų55.91%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-92.9138.8178.2-500000110.9S348 I349 T421 K423S348-T386 WeakPolarHBondContact CB-OG1 3.33Å; S348-T386 PolarHBondContact OG-OG1 2.79Å; I349-T386 PolarHBondContact O-N 2.97Å; T386-T421 CarbonylContact C-O 3.53Å; T386-T421 WeakPolarHBondContact CA-O 3.45Å; T386-T421 HydrophobicContact CG2-CG2 4.16Å; T386-K423 HydrophobicContact CG2-CD 4.14Å; T386-K423 HydrophobicContact CG2-CG 4Å
387F75.4Confident64.1Low13 Ų1356.8 Ų56.86%0.05729%0.292CS..EExtended strand (participates in β ladder)trans-129.4133.7173.6-56.8-64.1000110.3L385 W404 K408 L420 T421 K423L385-F387 HydrophobicContact CB-CE2 4.27Å; L385-F387 HydrophobicContact CB-CZ 4.07Å; L385-F387 HydrophobicContact CD2-CE1 3.73Å; L385-F387 HydrophobicContact CD2-CE2 4.37Å; L385-F387 HydrophobicContact CD2-CZ 3.41Å; L385-F387 VanDerWaalsContact CD2-CZ 3.41Å; L385-F387 HydrophobicContact CG-CE1 3.92Å; L385-F387 HydrophobicContact CG-CE2 4.38Å; L385-F387 HydrophobicContact CG-CZ 3.73Å; F387-W404 HydrophobicContact CB-CH2 4.02Å; F387-K408 HydrophobicContact CD1-CB 4.3Å; F387-K408 HydrophobicContact CD1-CD 3.85Å; F387-K408 HydrophobicContact CD1-CG 3.9Å; F387-K408 HydrophobicContact CD2-CB 4.23Å; F387-K408 HydrophobicContact CE1-CB 3.9Å; F387-K408 HydrophobicContact CE1-CD 3.44Å; F387-K408 VanDerWaalsContact CE1-CD 3.44Å; F387-K408 HydrophobicContact CE1-CG 3.76Å; F387-K408 HydrophobicContact CE2-CB 3.79Å; F387-K408 HydrophobicContact CE2-CG 4.44Å; F387-K408 HydrophobicContact CG-CB 4.44Å; F387-K408 HydrophobicContact CG-CG 4.31Å; F387-K408 HydrophobicContact CZ-CB 3.58Å; F387-K408 HydrophobicContact CZ-CD 3.98Å; F387-K408 HydrophobicContact CZ-CG 4.01Å; F387-L420 HydrophobicContact CD2-CB 4.28Å; F387-L420 HydrophobicContact CE2-CB 4Å; F387-L420 HydrophobicContact CE2-CD2 4.49Å; F387-T421 PolarHBondContact N-O 3.01Å; F387-K423 PolarHBondContact O-N 3.44Å
388D68.2Low63.1Low52 Ų5256 Ų5628%0.27829%0.288SS..EExtended strand (participates in β ladder)trans-71.7126.5168.5-171.98.5000110.9D352 S390D352-D388 WeakPolarHBondContact OD1-CB 3.37Å; D388-S390 WeakPolarHBondContact OD1-CB 3.32Å; D388-S390 PolarHBondContact OD1-N 2.76Å; D388-S390 PolarHBondContact OD1-OG 2.93Å; D388-S390 WeakPolarHBondContact OD2-CB 3.48Å; D388-S390 PolarHBondContact OD2-OG 3.25Å
389G60.7Low62.2Low2 Ų260.4 Ų60.42%0.02132%0.315CS..  trans-97.113178.500000113.9F391 L392 K423G389-F391 PolarHBondContact O-N 3.08Å; G389-L392 WeakPolarHBondContact O-CG 3.23Å; G389-L392 PolarHBondContact O-N 3.05Å; G389-L392 VanDerWaalsContact O-N 3.17Å; G389-K423 WeakPolarHBondContact CA-O 3.45Å; G389-K423 PolarHBondContact N-O 2.92Å
390S55.1Low61.6Low56 Ų5652.9 Ų52.939%0.39229%0.294SS..G310 helixtrans-56-13.2-177.952.80000115.5D388 L392 T393D388-S390 WeakPolarHBondContact OD1-CB 3.32Å; D388-S390 PolarHBondContact OD1-N 2.76Å; D388-S390 PolarHBondContact OD1-OG 2.93Å; D388-S390 WeakPolarHBondContact OD2-CB 3.48Å; D388-S390 PolarHBondContact OD2-OG 3.25Å; S390-L392 PolarHBondContact O-N 3.33Å; S390-T393 PolarHBondContact O-N 2.83Å; S390-T393 PolarHBondContact O-OG1 3.44Å
391F50.4Low61.2Low39 Ų3948.2 Ų48.217%0.17127%0.265CS..G310 helixtrans-64.1-15.5172.464.8-99.2000114.7G389 T393 A394 D401 W404 K445G389-F391 PolarHBondContact O-N 3.08Å; F391-T393 PolarHBondContact O-N 2.86Å; F391-A394 PolarHBondContact O-N 2.97Å; F391-D401 HydrophobicContact CD2-CB 4.36Å; F391-D401 WeakPolarHBondContact CD2-OD2 2.83Å; F391-W404 HydrophobicContact CD1-CZ3 4.34Å; F391-W404 HydrophobicContact CE1-CE3 4.2Å; F391-W404 HydrophobicContact CE1-CH2 4.27Å; F391-W404 AromaticContact CE1-CZ3 3.7Å; F391-W404 HydrophobicContact CE1-CZ3 3.7Å; F391-K445 HydrophobicContact CE2-CD 3.94Å; F391-K445 HydrophobicContact CZ-CD 4.48Å
392L50.7Low60.2Low21 Ų2149.9 Ų49.911%0.1127%0.273CS..G310 helixtrans-63.7-4.8175.6-66.7164.5000113.5G389 S390 L438 L442 K445G389-L392 WeakPolarHBondContact O-CG 3.23Å; G389-L392 PolarHBondContact O-N 3.05Å; G389-L392 VanDerWaalsContact O-N 3.17Å; S390-L392 PolarHBondContact O-N 3.33Å; L392-L438 WeakPolarHBondContact O-CD2 3.2Å; L392-L442 HydrophobicContact CD1-CD1 3.76Å; L392-L442 HydrophobicContact CD2-CB 4.41Å; L392-K445 HydrophobicContact CD2-CD 4.4Å
393T46.1Very low59.2Low67 Ų6757.4 Ų57.441%0.41130%0.299SS..G310 helixtrans-100.2-6.3-173.762.10000115.1S390 F391S390-T393 PolarHBondContact O-N 2.83Å; S390-T393 PolarHBondContact O-OG1 3.44Å; F391-T393 PolarHBondContact O-N 2.86Å
394A45.3Very low58.2Low35 Ų3561.3 Ų61.329%0.28931%0.313SS..  trans-112.7113.5-178.200000111.9F391 E396 H397 F398F391-A394 PolarHBondContact O-N 2.97Å; A394-E396 PolarHBondContact O-N 2.92Å; A394-H397 PolarHBondContact O-N 3.36Å; A394-F398 VanDerWaalsContact O-CD2 3.3Å; A394-F398 WeakPolarHBondContact O-CD2 3.24Å; A394-F398 WeakPolarHBondContact O-CE2 2.88Å
395K43.5Very low57Low165 Ų16562.2 Ų62.272%0.71732%0.318SS*.THydrogen-bonded Turntrans-52.1-17.6171.3-127.4169.5-176.4158.90113.2E434K395-E434 IonicContact NZ-OE1 2.8Å; K395-E434 PolarHBondContact NZ-OE1 3.12Å
396E42.1Very low56.2Low174 Ų17465.5 Ų65.581%0.81333%0.333SS*.THydrogen-bonded Turntrans-100.6-5.7-166.2-63.9179.4162.900115.3A394A394-E396 PolarHBondContact O-N 2.92Å
397H47.2Very low55.6Low111 Ų11172 Ų7251%0.51436%0.358SS..  trans-116.75.3-176.1-79.8-67.2000116.9A394 T399 A400 D401A394-H397 PolarHBondContact O-N 3.36Å; H397-T399 VanDerWaalsContact C-N 3.3Å; H397-T399 PolarHBondContact O-N 3.48Å; H397-A400 PolarHBondContact O-N 3.45Å; H397-A400 VanDerWaalsContact O-N 3.11Å; H397-D401 PolarHBondContact O-N 3.48Å
398F47.7Very low55.5Low38 Ų3874 Ų7417%0.16737%0.366CS..THydrogen-bonded Turntrans-61.6-24.1-166.3-85.9-87.3000116.7A394 L438 Q441A394-F398 VanDerWaalsContact O-CD2 3.3Å; A394-F398 WeakPolarHBondContact O-CD2 3.24Å; A394-F398 WeakPolarHBondContact O-CE2 2.88Å; F398-L438 HydrophobicContact CZ-CD2 3.77Å; F398-Q441 HydrophobicContact CE1-CB 4.21Å; F398-Q441 HydrophobicContact CE1-CG 4.26Å
399T46.2Very low55.8Low131 Ų13171.7 Ų71.780%0.80435%0.354SS*.THydrogen-bonded Turntrans-90.1-28176.747.40000113.6H397H397-T399 VanDerWaalsContact C-N 3.3Å; H397-T399 PolarHBondContact O-N 3.48Å
400A48.9Very low56.5Low62 Ų6277.5 Ų77.551%0.51238%0.375SS..THydrogen-bonded Turntrans-76.2-28.8177.300000112.5H397 M402H397-A400 PolarHBondContact O-N 3.45Å; H397-A400 VanDerWaalsContact O-N 3.11Å; A400-M402 VanDerWaalsContact C-N 3.32Å; A400-M402 PolarHBondContact O-N 3Å
401D56.3Low57.6Low20 Ų2076 Ų7611%0.10736%0.364CS..Hα-helixtrans-71-18.1-177.3-82.1-23.4000115.4F391 H397 W404 L405 K445F391-D401 HydrophobicContact CD2-CB 4.36Å; F391-D401 WeakPolarHBondContact CD2-OD2 2.83Å; H397-D401 PolarHBondContact O-N 3.48Å; D401-W404 WeakPolarHBondContact O-CB 3.37Å; D401-W404 PolarHBondContact O-N 3.47Å; D401-L405 PolarHBondContact O-N 2.79Å; D401-K445 IonicContact OD2-NZ 3.3Å
402M54.3Low58.9Low40 Ų4074.2 Ų74.220%0.19736%0.356CS..Hα-helixtrans-67.3-42.6-176.3-87.6-76.312.100112.3A400 W404 E406 R448A400-M402 VanDerWaalsContact C-N 3.32Å; A400-M402 PolarHBondContact O-N 3Å; M402-W404 VanDerWaalsContact C-N 3.28Å; M402-W404 PolarHBondContact O-N 3.13Å; M402-E406 HydrophobicContact CE-CG 4.27Å; M402-E406 PolarHBondContact O-N 2.89Å; M402-R448 PolarHBondContact SD-NH1 3.19Å
403Y62.1Low60.3Low174 Ų17476.4 Ų76.468%0.68237%0.365SS*.Hα-helixtrans-66.4-32.4175-79.7-80.8000112.2R407Y403-R407 WeakPolarHBondContact O-CB 3.31Å; Y403-R407 PolarHBondContact O-N 2.62Å
404W64.9Low61.9Low86 Ų8678.7 Ų78.733%0.32637%0.371SS..Hα-helixtrans-64.8-48.3179.2-175.297.9000111.3F387 F391 D401 M402 R407 K408F387-W404 HydrophobicContact CB-CH2 4.02Å; F391-W404 HydrophobicContact CD1-CZ3 4.34Å; F391-W404 HydrophobicContact CE1-CE3 4.2Å; F391-W404 HydrophobicContact CE1-CH2 4.27Å; F391-W404 AromaticContact CE1-CZ3 3.7Å; F391-W404 HydrophobicContact CE1-CZ3 3.7Å; D401-W404 WeakPolarHBondContact O-CB 3.37Å; D401-W404 PolarHBondContact O-N 3.47Å; M402-W404 VanDerWaalsContact C-N 3.28Å; M402-W404 PolarHBondContact O-N 3.13Å; W404-R407 WeakPolarHBondContact O-CB 3.17Å; W404-R407 PolarHBondContact O-N 3.41Å; W404-K408 HydrophobicContact CD2-CG 3.99Å; W404-K408 VanDerWaalsContact CE2-CE 3.42Å; W404-K408 HydrophobicContact CE3-CG 3.92Å; W404-K408 HydrophobicContact CH2-CG 3.97Å; W404-K408 HydrophobicContact CZ2-CD 4.33Å; W404-K408 HydrophobicContact CZ2-CG 4.01Å; W404-K408 HydrophobicContact CZ3-CG 3.9Å; W404-K408 WeakPolarHBondContact O-CG 3.26Å; W404-K408 PolarHBondContact O-N 3.36Å
405L63.7Low63.5Low19 Ų1977.7 Ų77.710%0.09936%0.361CS..Hα-helixtrans-64.3-46-178.3-163.479.5000112D401 R407 K408 V409 K445 I449D401-L405 PolarHBondContact O-N 2.79Å; L405-R407 VanDerWaalsContact C-N 3.28Å; L405-R407 PolarHBondContact O-N 2.78Å; L405-K408 PolarHBondContact O-N 2.9Å; L405-V409 WeakPolarHBondContact O-CG2 3.39Å; L405-V409 PolarHBondContact O-N 2.79Å; L405-K445 HydrophobicContact CD2-CB 4.12Å; L405-K445 HydrophobicContact CD2-CG 4.49Å; L405-I449 HydrophobicContact CD1-CD1 4.01Å; L405-I449 HydrophobicContact CD1-CG1 4.45Å; L405-I449 HydrophobicContact CD2-CD1 4Å; L405-I449 HydrophobicContact CD2-CG1 3.7Å; L405-I449 HydrophobicContact CG-CD1 4.21Å; L405-I449 HydrophobicContact CG-CG1 4.1Å
406E67.7Low65.3Low68 Ų6871.7 Ų71.732%0.31835%0.346SS..Hα-helixtrans-61.9-38.1176.3-70.1179-177.500111.6M402 V409 R410 Y452M402-E406 HydrophobicContact CE-CG 4.27Å; M402-E406 PolarHBondContact O-N 2.89Å; E406-V409 PolarHBondContact O-N 2.95Å; E406-R410 WeakPolarHBondContact O-CB 3.1Å; E406-R410 PolarHBondContact O-N 2.62Å; E406-Y452 HydrophobicContact CB-CE2 4.21Å; E406-Y452 HydrophobicContact CG-CE2 4.1Å
407R71.9Confident67.3Low139 Ų13963.9 Ų63.953%0.52531%0.31SS..Hα-helixtrans-64.6-41.3175.4-167.4-177.4-62.8-175.8-0.3111.3Y403 W404 L405 R410 V411Y403-R407 WeakPolarHBondContact O-CB 3.31Å; Y403-R407 PolarHBondContact O-N 2.62Å; W404-R407 WeakPolarHBondContact O-CB 3.17Å; W404-R407 PolarHBondContact O-N 3.41Å; L405-R407 VanDerWaalsContact C-N 3.28Å; L405-R407 PolarHBondContact O-N 2.78Å; R407-R410 WeakPolarHBondContact O-CB 2.98Å; R407-R410 PolarHBondContact O-N 2.77Å; R407-V411 WeakPolarHBondContact O-CG2 3.38Å; R407-V411 PolarHBondContact O-N 3.02Å
408K73.5Confident69.1Low55 Ų5562 Ų6224%0.23930%0.304CS..Hα-helixtrans-64.1-44.5176.7-69.6-42.4-165.6170.10112.6F387 W404 L405 R410 V411 T412F387-K408 HydrophobicContact CD1-CB 4.3Å; F387-K408 HydrophobicContact CD1-CD 3.85Å; F387-K408 HydrophobicContact CD1-CG 3.9Å; F387-K408 HydrophobicContact CD2-CB 4.23Å; F387-K408 HydrophobicContact CE1-CB 3.9Å; F387-K408 HydrophobicContact CE1-CD 3.44Å; F387-K408 VanDerWaalsContact CE1-CD 3.44Å; F387-K408 HydrophobicContact CE1-CG 3.76Å; F387-K408 HydrophobicContact CE2-CB 3.79Å; F387-K408 HydrophobicContact CE2-CG 4.44Å; F387-K408 HydrophobicContact CG-CB 4.44Å; F387-K408 HydrophobicContact CG-CG 4.31Å; F387-K408 HydrophobicContact CZ-CB 3.58Å; F387-K408 HydrophobicContact CZ-CD 3.98Å; F387-K408 HydrophobicContact CZ-CG 4.01Å; W404-K408 HydrophobicContact CD2-CG 3.99Å; W404-K408 VanDerWaalsContact CE2-CE 3.42Å; W404-K408 HydrophobicContact CE3-CG 3.92Å; W404-K408 HydrophobicContact CH2-CG 3.97Å; W404-K408 HydrophobicContact CZ2-CD 4.33Å; W404-K408 HydrophobicContact CZ2-CG 4.01Å; W404-K408 HydrophobicContact CZ3-CG 3.9Å; W404-K408 WeakPolarHBondContact O-CG 3.26Å; W404-K408 PolarHBondContact O-N 3.36Å; L405-K408 PolarHBondContact O-N 2.9Å; K408-R410 VanDerWaalsContact C-N 3.3Å; K408-R410 PolarHBondContact O-N 3.44Å; K408-V411 PolarHBondContact O-N 2.79Å; K408-T412 PolarHBondContact O-N 2.81Å; K408-T412 PolarHBondContact O-OG1 2.73Å; K408-T412 VanDerWaalsContact O-OG1 3.13Å
409V73.7Confident71Confident3 Ų360.1 Ų60.12%0.01830%0.296CS..Hα-helixtrans-63.3-39.2175.6-176.80000111.1L405 E406 T412 Q413 L420 I449 Y452L405-V409 WeakPolarHBondContact O-CG2 3.39Å; L405-V409 PolarHBondContact O-N 2.79Å; E406-V409 PolarHBondContact O-N 2.95Å; V409-T412 WeakPolarHBondContact O-CB 3.34Å; V409-T412 PolarHBondContact O-N 3.23Å; V409-Q413 WeakPolarHBondContact O-CG 3.28Å; V409-Q413 PolarHBondContact O-N 2.85Å; V409-L420 HydrophobicContact CG2-CD2 3.92Å; V409-I449 HydrophobicContact CG2-CG1 4.25Å; V409-I449 HydrophobicContact CG2-CG2 4.17Å; V409-Y452 HydrophobicContact CB-CD1 3.89Å; V409-Y452 HydrophobicContact CB-CE1 4.11Å; V409-Y452 HydrophobicContact CB-CG 4.39Å; V409-Y452 HydrophobicContact CG1-CD1 3.22Å; V409-Y452 HydrophobicContact CG1-CE1 3.78Å; V409-Y452 HydrophobicContact CG1-CG 3.9Å
410R76.3Confident72.9Confident125 Ų12554.1 Ų54.147%0.47226%0.258SS..Hα-helixtrans-60.6-45.4174.2-169.1-172.3-58.9-175.30.9112E406 R407 K408 T412 Q413 E414E406-R410 WeakPolarHBondContact O-CB 3.1Å; E406-R410 PolarHBondContact O-N 2.62Å; R407-R410 WeakPolarHBondContact O-CB 2.98Å; R407-R410 PolarHBondContact O-N 2.77Å; K408-R410 VanDerWaalsContact C-N 3.3Å; K408-R410 PolarHBondContact O-N 3.44Å; R410-T412 VanDerWaalsContact C-N 3.31Å; R410-T412 PolarHBondContact O-N 2.96Å; R410-Q413 CarbonylContact O-C 3.51Å; R410-Q413 WeakPolarHBondContact O-CB 3.22Å; R410-Q413 PolarHBondContact O-N 2.83Å; R410-Q413 VanDerWaalsContact O-N 3.08Å; R410-E414 VanDerWaalsContact CD-OE1 3.3Å; R410-E414 WeakPolarHBondContact CD-OE1 3.43Å; R410-E414 HydrophobicContact CG-CG 4.29Å; R410-E414 WeakPolarHBondContact CG-OE1 3.26Å; R410-E414 WeakPolarHBondContact O-CG 3.27Å; R410-E414 PolarHBondContact O-N 2.79Å
411V76.4Confident74.7Confident25 Ų2551.3 Ų51.315%0.15224%0.235CC..Hα-helixtrans-58.2-43.5175.5169.60000111.1V362 L366 L385 R407 K408 Q413 E414 L415V362-V411 HydrophobicContact CG2-CG1 4.46Å; V362-V411 HydrophobicContact CG2-CG2 4.3Å; L366-V411 HydrophobicContact CD2-CG1 4.43Å; L385-V411 HydrophobicContact CD2-CG1 4.16Å; R407-V411 WeakPolarHBondContact O-CG2 3.38Å; R407-V411 PolarHBondContact O-N 3.02Å; K408-V411 PolarHBondContact O-N 2.79Å; V411-Q413 VanDerWaalsContact C-N 3.29Å; V411-Q413 PolarHBondContact O-N 2.67Å; V411-E414 PolarHBondContact O-N 2.84Å; V411-L415 HydrophobicContact CG1-CD1 3.63Å; V411-L415 HydrophobicContact CG1-CG 4.34Å; V411-L415 VanDerWaalsContact O-CB 3.3Å; V411-L415 WeakPolarHBondContact O-CB 3.44Å; V411-L415 VanDerWaalsContact O-CG 3.29Å; V411-L415 WeakPolarHBondContact O-CG 3.35Å; V411-L415 PolarHBondContact O-N 3.35Å
412T78.8Confident76Confident0 Ų051 Ų510%023%0.234CC..Hα-helixtrans-59.2-39.7175.2-55.60000112K408 V409 R410 G416 L417 G419K408-T412 PolarHBondContact O-N 2.81Å; K408-T412 PolarHBondContact O-OG1 2.73Å; K408-T412 VanDerWaalsContact O-OG1 3.13Å; V409-T412 WeakPolarHBondContact O-CB 3.34Å; V409-T412 PolarHBondContact O-N 3.23Å; R410-T412 VanDerWaalsContact C-N 3.31Å; R410-T412 PolarHBondContact O-N 2.96Å; T412-G416 PolarHBondContact O-N 2.89Å; T412-L417 HydrophobicContact CG2-CB 3.73Å; T412-L417 HydrophobicContact CG2-CD1 4.36Å; T412-L417 PolarHBondContact O-N 2.59Å; T412-G419 VanDerWaalsContact CG2-O 3.3Å; T412-G419 WeakPolarHBondContact CG2-O 3.48Å
413Q79.2Confident77.2Confident67 Ų6751.8 Ų51.831%0.31324%0.236SC..Hα-helixtrans-71.6-45176.7-70177.1-14.900112.7V409 R410 V411 L415 G416V409-Q413 WeakPolarHBondContact O-CG 3.28Å; V409-Q413 PolarHBondContact O-N 2.85Å; R410-Q413 CarbonylContact O-C 3.51Å; R410-Q413 WeakPolarHBondContact O-CB 3.22Å; R410-Q413 PolarHBondContact O-N 2.83Å; R410-Q413 VanDerWaalsContact O-N 3.08Å; V411-Q413 VanDerWaalsContact C-N 3.29Å; V411-Q413 PolarHBondContact O-N 2.67Å; Q413-L415 VanDerWaalsContact C-N 3.28Å; Q413-L415 PolarHBondContact O-N 3.17Å; Q413-G416 WeakPolarHBondContact O-CA 3.39Å; Q413-G416 PolarHBondContact O-N 3.35Å
414E80Confident77.9Confident115 Ų11544 Ų4454%0.53721%0.206SC..Hα-helixtrans-60.8-38.4177.5-74.8176.4-167.400111.8V362 R410 V411 G416V362-E414 WeakPolarHBondContact CG2-OE2 3.31Å; R410-E414 VanDerWaalsContact CD-OE1 3.3Å; R410-E414 WeakPolarHBondContact CD-OE1 3.43Å; R410-E414 HydrophobicContact CG-CG 4.29Å; R410-E414 WeakPolarHBondContact CG-OE1 3.26Å; R410-E414 WeakPolarHBondContact O-CG 3.27Å; R410-E414 PolarHBondContact O-N 2.79Å; V411-E414 PolarHBondContact O-N 2.84Å; E414-G416 PolarHBondContact O-N 3.16Å
415L79.7Confident77.9Confident14 Ų1443.3 Ų43.37%0.07321%0.214CC..THydrogen-bonded Turntrans-77.2-9.7174.8-69.6172.4000112.8V362 L366 R367 V370 K374 V411 Q413 L417V362-L415 HydrophobicContact CG1-CD1 4.35Å; V362-L415 HydrophobicContact CG1-CD2 3.76Å; V362-L415 HydrophobicContact CG1-CG 4.23Å; L366-L415 HydrophobicContact CD2-CD1 3.64Å; L366-L415 HydrophobicContact CG-CD1 3.89Å; R367-L415 HydrophobicContact CG-CD2 4Å; V370-L415 HydrophobicContact CB-CD2 4.33Å; V370-L415 HydrophobicContact CG1-CB 4.27Å; V370-L415 HydrophobicContact CG2-CD1 4.19Å; V370-L415 HydrophobicContact CG2-CD2 4.28Å; K374-L415 VanDerWaalsContact CE-O 3.27Å; K374-L415 WeakPolarHBondContact CE-O 3.37Å; K374-L415 PolarHBondContact NZ-O 3.01Å; V411-L415 HydrophobicContact CG1-CD1 3.63Å; V411-L415 HydrophobicContact CG1-CG 4.34Å; V411-L415 VanDerWaalsContact O-CB 3.3Å; V411-L415 WeakPolarHBondContact O-CB 3.44Å; V411-L415 VanDerWaalsContact O-CG 3.29Å; V411-L415 WeakPolarHBondContact O-CG 3.35Å; V411-L415 PolarHBondContact O-N 3.35Å; Q413-L415 VanDerWaalsContact C-N 3.28Å; Q413-L415 PolarHBondContact O-N 3.17Å; L415-L417 HydrophobicContact CB-CD1 4.19Å; L415-L417 HydrophobicContact CB-CG 3.89Å; L415-L417 HydrophobicContact CD1-CD1 4.32Å
416G80.5Confident77.5Confident39 Ų3943.9 Ų43.940%0.40223%0.225SC..THydrogen-bonded Turntrans60.541.5-178.300000113.4K374 T412 Q413 E414K374-G416 WeakPolarHBondContact CE-O 3.04Å; K374-G416 VanDerWaalsContact NZ-C 3.26Å; K374-G416 PolarHBondContact NZ-O 3.22Å; T412-G416 PolarHBondContact O-N 2.89Å; Q413-G416 WeakPolarHBondContact O-CA 3.39Å; Q413-G416 PolarHBondContact O-N 3.35Å; E414-G416 PolarHBondContact O-N 3.16Å
417L84Confident76.7Confident11 Ų1149.1 Ų49.16%0.05824%0.242CC..  trans-81.6159.3177.4-61.2178.9000111.2V370 L383 L385 T412 L415V370-L417 HydrophobicContact CG1-CD2 3.65Å; V370-L417 HydrophobicContact CG2-CD2 4.11Å; L383-L417 HydrophobicContact CB-CD2 4.17Å; L383-L417 HydrophobicContact CD2-CD2 3.46Å; L383-L417 VanDerWaalsContact CD2-CD2 3.46Å; L383-L417 HydrophobicContact CG-CD2 3.7Å; L385-L417 HydrophobicContact CB-CD1 3.78Å; L385-L417 HydrophobicContact CD1-CD1 4.46Å; L385-L417 HydrophobicContact CD2-CD1 4.28Å; L385-L417 HydrophobicContact CG-CD1 4.43Å; T412-L417 HydrophobicContact CG2-CB 3.73Å; T412-L417 HydrophobicContact CG2-CD1 4.36Å; T412-L417 PolarHBondContact O-N 2.59Å; L415-L417 HydrophobicContact CB-CD1 4.19Å; L415-L417 HydrophobicContact CB-CG 3.89Å; L415-L417 HydrophobicContact CD1-CD1 4.32Å
418D85Confident75.6Confident70 Ų7050 Ų5037%0.37425%0.252SS..SBendtrans-81-19.7-175.4-59.3-66.1000112.4K377 A382 L383 L459K377-D418 IonicContact NZ-OD2 3.64Å; K377-D418 PolarHBondContact NZ-OD2 2.82Å; A382-D418 WeakPolarHBondContact CA-OD2 3.01Å; A382-D418 HydrophobicContact CB-CB 3.99Å; L383-D418 PolarHBondContact N-OD2 3.19Å; L383-D418 PolarHBondContact O-N 2.75Å; D418-L459 PolarHBondContact O-N 2.85Å
419G87.4Confident74.2Confident0 Ų051.2 Ų51.20%028%0.28CS..EExtended strand (participates in β ladder)trans179.4-167.2-179.300000115.4L384 L385 T412 L459L384-G419 VanDerWaalsContact CA-O 3.3Å; L384-G419 WeakPolarHBondContact CA-O 3.39Å; L385-G419 PolarHBondContact N-O 2.92Å; T412-G419 VanDerWaalsContact CG2-O 3.3Å; T412-G419 WeakPolarHBondContact CG2-O 3.48Å; G419-L459 CarbonylContact C-O 3.53Å; G419-L459 WeakPolarHBondContact CA-O 3.14Å
420L86.8Confident72.8Confident4 Ų452.8 Ų52.82%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-141.1155177.166.789.1000112.8L385 F387 V409 V422 I449 L459 L460 V461L385-L420 CarbonylContact O-C 3.39Å; L385-L420 VanDerWaalsContact O-CA 3.24Å; L385-L420 WeakPolarHBondContact O-CA 3.03Å; L385-L420 WeakPolarHBondContact O-CB 3.26Å; F387-L420 HydrophobicContact CD2-CB 4.28Å; F387-L420 HydrophobicContact CE2-CB 4Å; F387-L420 HydrophobicContact CE2-CD2 4.49Å; V409-L420 HydrophobicContact CG2-CD2 3.92Å; L420-V422 HydrophobicContact CD1-CG2 3.46Å; L420-V422 VanDerWaalsContact CD1-CG2 3.46Å; L420-I449 HydrophobicContact CD1-CD1 4.46Å; L420-I449 HydrophobicContact CD1-CG2 4.42Å; L420-I449 HydrophobicContact CD2-CG2 3.87Å; L420-I449 HydrophobicContact CG-CG2 4.48Å; L420-L459 PolarHBondContact N-O 2.76Å; L420-L460 HydrophobicContact CD1-CD1 3.54Å; L420-L460 HydrophobicContact CG-CD1 4.32Å; L420-V461 PolarHBondContact O-N 3.17Å
421T87.1Confident71.3Confident3 Ų352.9 Ų52.92%0.01830%0.3CS..EExtended strand (participates in β ladder)trans-114.7130.3175.9-53.40000109.5F322 S348 L385 T386 F387 V461F322-T421 VanDerWaalsContact CZ-OG1 3.28Å; F322-T421 WeakPolarHBondContact CZ-OG1 3.47Å; S348-T421 PolarHBondContact OG-OG1 2.96Å; L385-T421 PolarHBondContact O-N 3.5Å; T386-T421 CarbonylContact C-O 3.53Å; T386-T421 WeakPolarHBondContact CA-O 3.45Å; T386-T421 HydrophobicContact CG2-CG2 4.16Å; F387-T421 PolarHBondContact N-O 3.01Å; T421-V461 CarbonylContact C-O 3.59Å; T421-V461 VanDerWaalsContact CA-O 3.29Å; T421-V461 WeakPolarHBondContact CA-O 3.42Å; T421-V461 HydrophobicContact CG2-CB 4.12Å; T421-V461 HydrophobicContact CG2-CG1 4.12Å
422V82.9Confident70Confident14 Ų1456.8 Ų56.89%0.08533%0.325CS..EExtended strand (participates in β ladder)trans-111.2120.3175-175.10000109L420 I424 L446 I449 L460 V461 V462 S463L420-V422 HydrophobicContact CD1-CG2 3.46Å; L420-V422 VanDerWaalsContact CD1-CG2 3.46Å; V422-I424 HydrophobicContact CG1-CG1 4.29Å; V422-L446 HydrophobicContact CG2-CD2 4.42Å; V422-I449 HydrophobicContact CG2-CD1 4.39Å; V422-L460 HydrophobicContact CG2-CD1 4.21Å; V422-V461 PolarHBondContact N-O 2.88Å; V422-V462 WeakPolarHBondContact O-CA 2.88Å; V422-S463 PolarHBondContact O-N 3.34Å
423K80.2Confident68.6Low56 Ų5664 Ų6424%0.24336%0.363CS..EExtended strand (participates in β ladder)trans-85.3134.8171.6-66.1176.4-177.7166.60110.3D350 D352 T386 F387 G389 S463D350-K423 IonicContact OD1-NZ 3.51Å; D350-K423 IonicContact OD2-NZ 2.86Å; D350-K423 PolarHBondContact OD2-NZ 3.44Å; D352-K423 IonicContact OD2-NZ 3.63Å; D352-K423 PolarHBondContact OD2-NZ 3.32Å; T386-K423 HydrophobicContact CG2-CD 4.14Å; T386-K423 HydrophobicContact CG2-CG 4Å; F387-K423 PolarHBondContact O-N 3.44Å; G389-K423 WeakPolarHBondContact CA-O 3.45Å; G389-K423 PolarHBondContact N-O 2.92Å; K423-S463 CarbonylContact C-O 3.57Å; K423-S463 WeakPolarHBondContact CA-O 3.01Å
424I75.5Confident67.5Low12 Ų1264.5 Ų64.56%0.06237%0.365CS..EExtended strand (participates in β ladder)trans-128.5128.7178.6-53.5-177.7000107.9V422 L442 V462 S463 T464V422-I424 HydrophobicContact CG1-CG1 4.29Å; I424-L442 HydrophobicContact CD1-CD1 3.75Å; I424-L442 HydrophobicContact CD1-CD2 3.69Å; I424-L442 HydrophobicContact CD1-CG 4.34Å; I424-V462 HydrophobicContact CD1-CG1 3.46Å; I424-V462 VanDerWaalsContact CD1-CG1 3.46Å; I424-V462 HydrophobicContact CG1-CG1 4.08Å; I424-S463 PolarHBondContact N-O 3.02Å; I424-T464 WeakPolarHBondContact O-CA 3.41Å; I424-T464 PolarHBondContact O-OG1 2.78Å
425S64.6Low66.3Low70 Ų7060.3 Ų60.349%0.4935%0.346SS..  trans-127.6132.5176.6-58.50000110.4
426G56.3Low65.3Low31 Ų3163 Ų6332%0.3237%0.37SS..PPolyproline II helixtrans-80.5140.5173.900000112.1T468G426-T468 PolarHBondContact N-OG1 2.96Å; G426-T468 VanDerWaalsContact N-OG1 3.08Å
427R51.3Low64.5Low178 Ų17867.2 Ų67.267%0.67238%0.375SS*.PPolyproline II helixtrans-81129.1164.7-92.5-169.7-179-171.71.9109.6G429R427-G429 PolarHBondContact O-N 2.81Å
428H48.5Very low63.5Low159 Ų15969.2 Ų69.274%0.73639%0.385SS*.THydrogen-bonded Turntrans-65.3119.3160.6-73.2-69.6000109.1
429G44.4Very low62.5Low80 Ų8066.5 Ų66.583%0.82537%0.371SS*.THydrogen-bonded Turntrans115.76.9168.300000118.3R427R427-G429 PolarHBondContact O-N 2.81Å
430S44.4Very low61.7Low36 Ų3670.9 Ų70.925%0.25239%0.391SS..  trans-78.4140.6175.334.50000113.2
431L44.7Very low60.9Low126 Ų12673.5 Ų73.566%0.6640%0.404SS*.  trans-66.1145.6179.9-87.4139.4000112.1I433 E434L431-I433 PolarHBondContact O-N 3.17Å; L431-E434 PolarHBondContact O-N 2.68Å; L431-E434 VanDerWaalsContact O-N 3.15Å
432P49Very low60.2Low107 Ų10773.8 Ų73.870%0.69541%0.405SS*.Hα-helixtrans-54-24.1-175.3-27.234000116.5
433I48.7Very low59.9Low153 Ų15373.9 Ų73.979%0.78541%0.405SS*.Hα-helixtrans-80.4-24.1-175-64.1170.6000112.4L431 I435L431-I433 PolarHBondContact O-N 3.17Å; I433-I435 VanDerWaalsContact C-N 3.29Å; I433-I435 PolarHBondContact O-N 2.75Å
434E56.4Low59.8Low76 Ų7673.2 Ų73.236%0.35541%0.409SS..Hα-helixtrans-79.1-16.1-179.7-64.6-169.6140.300112.9K395 L431 L438K395-E434 IonicContact NZ-OE1 2.8Å; K395-E434 PolarHBondContact NZ-OE1 3.12Å; L431-E434 PolarHBondContact O-N 2.68Å; L431-E434 VanDerWaalsContact O-N 3.15Å; E434-L438 WeakPolarHBondContact O-CG 3.24Å; E434-L438 PolarHBondContact O-N 2.95Å
435I55.1Low59.8Low27 Ų2773.3 Ų73.314%0.13841%0.409CS..Hα-helixtrans-81.5-39.9-163.7-65.4177000112.9I433 L438 T439 Q473I433-I435 VanDerWaalsContact C-N 3.29Å; I433-I435 PolarHBondContact O-N 2.75Å; I435-L438 PolarHBondContact O-N 3.16Å; I435-T439 WeakPolarHBondContact O-CB 3.15Å; I435-T439 PolarHBondContact O-N 3.33Å; I435-T439 PolarHBondContact O-OG1 3.22Å; I435-Q473 HydrophobicContact CD1-CB 4.15Å; I435-Q473 HydrophobicContact CD1-CG 3.66Å; I435-Q473 HydrophobicContact CG2-CB 3.56Å; I435-Q473 HydrophobicContact CG2-CG 4.2Å; I435-Q473 WeakPolarHBondContact CG2-O 3.34Å
436A58.9Low60.4Low70 Ų7070.1 Ų70.158%0.57939%0.387SS*.Hα-helixtrans-65.9-40.7177.200000111.8T439 E440A436-T439 PolarHBondContact O-N 2.82Å; A436-E440 PolarHBondContact O-N 2.83Å; A436-E440 VanDerWaalsContact O-N 3.12Å
437Y63.6Low61.6Low129 Ų12974.9 Ų74.951%0.50640%0.395SS..Hα-helixtrans-63-47.2176.1178.1-98.6000111.5T439 E440 Q441Y437-T439 VanDerWaalsContact C-N 3.32Å; Y437-T439 PolarHBondContact O-N 3.37Å; Y437-E440 PolarHBondContact O-N 3.05Å; Y437-Q441 HydrophobicContact CD1-CG 4.2Å; Y437-Q441 HydrophobicContact CE1-CG 3.84Å; Y437-Q441 HydrophobicContact CE2-CG 4.27Å; Y437-Q441 VanDerWaalsContact O-CG 3.31Å; Y437-Q441 WeakPolarHBondContact O-CG 3.32Å; Y437-Q441 PolarHBondContact O-N 3.48Å; Y437-Q441 PolarHBondContact OH-NE2 2.87Å
438L62Low62.8Low53 Ų5373 Ų7328%0.27739%0.388SS..Hα-helixtrans-61.5-39.1177.8-70.8173.8000112.5L392 F398 E434 I435 Q441 L442L392-L438 WeakPolarHBondContact O-CD2 3.2Å; F398-L438 HydrophobicContact CZ-CD2 3.77Å; E434-L438 WeakPolarHBondContact O-CG 3.24Å; E434-L438 PolarHBondContact O-N 2.95Å; I435-L438 PolarHBondContact O-N 3.16Å; L438-Q441 PolarHBondContact O-N 2.81Å; L438-L442 WeakPolarHBondContact O-CB 3.35Å; L438-L442 PolarHBondContact O-N 3.1Å
439T64.6Low64.1Low12 Ų1266 Ų667%0.07436%0.356CS..Hα-helixtrans-63.2-44.9176.4-63.10000112.1I435 A436 Y437 L442 H443 Q473 D475I435-T439 WeakPolarHBondContact O-CB 3.15Å; I435-T439 PolarHBondContact O-N 3.33Å; I435-T439 PolarHBondContact O-OG1 3.22Å; A436-T439 PolarHBondContact O-N 2.82Å; Y437-T439 VanDerWaalsContact C-N 3.32Å; Y437-T439 PolarHBondContact O-N 3.37Å; T439-L442 PolarHBondContact O-N 2.88Å; T439-H443 WeakPolarHBondContact O-CB 3.1Å; T439-H443 PolarHBondContact O-N 2.83Å; T439-Q473 PolarHBondContact OG1-O 3.01Å; T439-D475 HydrophobicContact CG2-CB 3.65Å
440E70.8Confident65.7Low92 Ų9265.3 Ų65.343%0.4333%0.328SS..Hα-helixtrans-64.7-40.4176.6-72.9-55.8134.500112.2A436 Y437 H443 A444 K478A436-E440 PolarHBondContact O-N 2.83Å; A436-E440 VanDerWaalsContact O-N 3.12Å; Y437-E440 PolarHBondContact O-N 3.05Å; E440-H443 PolarHBondContact O-N 3.44Å; E440-A444 WeakPolarHBondContact O-CB 3.42Å; E440-A444 PolarHBondContact O-N 2.82Å; E440-K478 IonicContact OE1-NZ 3.5Å; E440-K478 PolarHBondContact OE1-NZ 3.2Å; E440-K478 IonicContact OE2-NZ 3.54Å
441Q69.5Low67.2Low60 Ų6069.4 Ų69.428%0.2835%0.347SS..Hα-helixtrans-65.3-44177.4-68.7-62.1-22.800111.9F398 Y437 L438 A444 K445F398-Q441 HydrophobicContact CE1-CB 4.21Å; F398-Q441 HydrophobicContact CE1-CG 4.26Å; Y437-Q441 HydrophobicContact CD1-CG 4.2Å; Y437-Q441 HydrophobicContact CE1-CG 3.84Å; Y437-Q441 HydrophobicContact CE2-CG 4.27Å; Y437-Q441 VanDerWaalsContact O-CG 3.31Å; Y437-Q441 WeakPolarHBondContact O-CG 3.32Å; Y437-Q441 PolarHBondContact O-N 3.48Å; Y437-Q441 PolarHBondContact OH-NE2 2.87Å; L438-Q441 PolarHBondContact O-N 2.81Å; Q441-A444 PolarHBondContact O-N 3.02Å; Q441-K445 WeakPolarHBondContact O-CG 3.23Å; Q441-K445 PolarHBondContact O-N 3Å
442L72.4Confident68.4Low9 Ų966.4 Ų66.45%0.04733%0.328CS..Hα-helixtrans-59.3-48.3174.3170.761.5000111L392 I424 L438 T439 A444 K445 L446 V474 I479L392-L442 HydrophobicContact CD1-CD1 3.76Å; L392-L442 HydrophobicContact CD2-CB 4.41Å; I424-L442 HydrophobicContact CD1-CD1 3.75Å; I424-L442 HydrophobicContact CD1-CD2 3.69Å; I424-L442 HydrophobicContact CD1-CG 4.34Å; L438-L442 WeakPolarHBondContact O-CB 3.35Å; L438-L442 PolarHBondContact O-N 3.1Å; T439-L442 PolarHBondContact O-N 2.88Å; L442-A444 VanDerWaalsContact C-N 3.32Å; L442-A444 PolarHBondContact O-N 3.3Å; L442-K445 PolarHBondContact O-N 3.36Å; L442-L446 HydrophobicContact CD1-CD1 4.06Å; L442-L446 HydrophobicContact CD1-CG 3.99Å; L442-L446 HydrophobicContact CG-CD1 4.3Å; L442-L446 WeakPolarHBondContact O-CG 3.3Å; L442-L446 PolarHBondContact O-N 3.19Å; L442-V474 HydrophobicContact CD2-CG1 4.28Å; L442-I479 HydrophobicContact CD2-CD1 3.66Å; L442-I479 HydrophobicContact CD2-CG1 4.39Å; L442-I479 HydrophobicContact CG-CD1 3.72Å
443H78Confident68.9Low16 Ų1662.7 Ų62.77%0.07431%0.309CS..Hα-helixtrans-60.5-41.2178.2-17268.1000112.2T439 E440 R447 K478 L482T439-H443 WeakPolarHBondContact O-CB 3.1Å; T439-H443 PolarHBondContact O-N 2.83Å; E440-H443 PolarHBondContact O-N 3.44Å; H443-R447 PolarHBondContact NE2-NH2 3.3Å; H443-R447 VanDerWaalsContact O-CB 3.27Å; H443-R447 WeakPolarHBondContact O-CB 3.44Å; H443-R447 PolarHBondContact O-N 3.15Å; H443-K478 PolarHBondContact CE1-O 2.94Å; H443-L482 WeakPolarHBondContact ND1-CD1 3.34Å
444A77.1Confident69.3Low41 Ų4164 Ų6434%0.33932%0.318SS..Hα-helixtrans-63.9-43175.300000112.3E440 Q441 L442 R447 R448E440-A444 WeakPolarHBondContact O-CB 3.42Å; E440-A444 PolarHBondContact O-N 2.82Å; Q441-A444 PolarHBondContact O-N 3.02Å; L442-A444 VanDerWaalsContact C-N 3.32Å; L442-A444 PolarHBondContact O-N 3.3Å; A444-R447 PolarHBondContact O-N 2.68Å; A444-R448 WeakPolarHBondContact O-CG 3.17Å; A444-R448 PolarHBondContact O-N 3.12Å
445K74.6Confident69.3Low14 Ų1464 Ų646%0.06134%0.339CS..Hα-helixtrans-63.2-48.6176.3-74.6-176.2178.2-170.30111.4F391 L392 D401 L405 Q441 L442 R447 R448 I449F391-K445 HydrophobicContact CE2-CD 3.94Å; F391-K445 HydrophobicContact CZ-CD 4.48Å; L392-K445 HydrophobicContact CD2-CD 4.4Å; D401-K445 IonicContact OD2-NZ 3.3Å; L405-K445 HydrophobicContact CD2-CB 4.12Å; L405-K445 HydrophobicContact CD2-CG 4.49Å; Q441-K445 WeakPolarHBondContact O-CG 3.23Å; Q441-K445 PolarHBondContact O-N 3Å; L442-K445 PolarHBondContact O-N 3.36Å; K445-R447 VanDerWaalsContact C-N 3.32Å; K445-R447 PolarHBondContact O-N 2.91Å; K445-R448 WeakPolarHBondContact O-CB 2.9Å; K445-R448 PolarHBondContact O-N 3.3Å; K445-R448 VanDerWaalsContact O-N 3.14Å; K445-I449 WeakPolarHBondContact O-CG1 3.16Å; K445-I449 PolarHBondContact O-N 3.25Å
446L78.4Confident69.4Low3 Ų367.1 Ų67.12%0.01636%0.359CS..Hα-helixtrans-62.9-37.6177-67.6-178.9000112.4V422 L442 R448 I449 R450 L460 V462 I479 L482V422-L446 HydrophobicContact CG2-CD2 4.42Å; L442-L446 HydrophobicContact CD1-CD1 4.06Å; L442-L446 HydrophobicContact CD1-CG 3.99Å; L442-L446 HydrophobicContact CG-CD1 4.3Å; L442-L446 WeakPolarHBondContact O-CG 3.3Å; L442-L446 PolarHBondContact O-N 3.19Å; L446-R448 VanDerWaalsContact C-N 3.31Å; L446-R448 PolarHBondContact O-N 3.22Å; L446-I449 HydrophobicContact CD2-CD1 4.07Å; L446-I449 PolarHBondContact O-N 3.43Å; L446-R450 PolarHBondContact O-N 2.75Å; L446-L460 HydrophobicContact CD2-CD1 4.48Å; L446-L460 HydrophobicContact CD2-CD2 4.31Å; L446-V462 HydrophobicContact CD1-CG2 4.17Å; L446-V462 HydrophobicContact CD2-CG2 4.36Å; L446-I479 HydrophobicContact CD1-CD1 3.69Å; L446-I479 HydrophobicContact CD1-CG2 3.9Å; L446-L482 HydrophobicContact CB-CD1 3.64Å
447R82Confident69.7Low132 Ų13271 Ų7150%0.49836%0.363SS..Hα-helixtrans-63.1-38.8175.2-176.5-176.6-77.9166-7.9111.1H443 A444 K445 R450 N451 L482H443-R447 PolarHBondContact NE2-NH2 3.3Å; H443-R447 VanDerWaalsContact O-CB 3.27Å; H443-R447 WeakPolarHBondContact O-CB 3.44Å; H443-R447 PolarHBondContact O-N 3.15Å; A444-R447 PolarHBondContact O-N 2.68Å; K445-R447 VanDerWaalsContact C-N 3.32Å; K445-R447 PolarHBondContact O-N 2.91Å; R447-R450 PolarHBondContact O-N 3.08Å; R447-N451 WeakPolarHBondContact O-CB 3.3Å; R447-N451 PolarHBondContact O-N 2.94Å; R447-N451 PolarHBondContact O-OD1 3.46Å; R447-L482 HydrophobicContact CB-CD1 4.11Å; R447-L482 HydrophobicContact CB-CD2 4.39Å
448R76.5Confident70.2Confident139 Ų13966.2 Ų66.253%0.52535%0.345SS..Hα-helixtrans-64.3-44.5173.9-73.7-175.3-171.6-155.35.2112M402 A444 K445 L446 R450 N451 Y452M402-R448 PolarHBondContact SD-NH1 3.19Å; A444-R448 WeakPolarHBondContact O-CG 3.17Å; A444-R448 PolarHBondContact O-N 3.12Å; K445-R448 WeakPolarHBondContact O-CB 2.9Å; K445-R448 PolarHBondContact O-N 3.3Å; K445-R448 VanDerWaalsContact O-N 3.14Å; L446-R448 VanDerWaalsContact C-N 3.31Å; L446-R448 PolarHBondContact O-N 3.22Å; R448-R450 VanDerWaalsContact C-N 3.26Å; R448-R450 PolarHBondContact O-N 3.34Å; R448-N451 CarbonylContact O-C 3.53Å; R448-N451 PolarHBondContact O-N 3.27Å; R448-N451 VanDerWaalsContact O-N 3.1Å; R448-Y452 WeakPolarHBondContact O-CB 3.09Å; R448-Y452 PolarHBondContact O-N 3.05Å
449I75.3Confident71.3Confident12 Ų1265.2 Ų65.26%0.06234%0.34CS..Hα-helixtrans-54.9-46.7173.9-62.7172.8000110.2L405 V409 L420 V422 K445 L446 N451 Y452 L460L405-I449 HydrophobicContact CD1-CD1 4.01Å; L405-I449 HydrophobicContact CD1-CG1 4.45Å; L405-I449 HydrophobicContact CD2-CD1 4Å; L405-I449 HydrophobicContact CD2-CG1 3.7Å; L405-I449 HydrophobicContact CG-CD1 4.21Å; L405-I449 HydrophobicContact CG-CG1 4.1Å; V409-I449 HydrophobicContact CG2-CG1 4.25Å; V409-I449 HydrophobicContact CG2-CG2 4.17Å; L420-I449 HydrophobicContact CD1-CD1 4.46Å; L420-I449 HydrophobicContact CD1-CG2 4.42Å; L420-I449 HydrophobicContact CD2-CG2 3.87Å; L420-I449 HydrophobicContact CG-CG2 4.48Å; V422-I449 HydrophobicContact CG2-CD1 4.39Å; K445-I449 WeakPolarHBondContact O-CG1 3.16Å; K445-I449 PolarHBondContact O-N 3.25Å; L446-I449 HydrophobicContact CD2-CD1 4.07Å; L446-I449 PolarHBondContact O-N 3.43Å; I449-N451 VanDerWaalsContact C-N 3.26Å; I449-N451 PolarHBondContact O-N 2.9Å; I449-Y452 WeakPolarHBondContact O-CB 3.11Å; I449-Y452 PolarHBondContact O-N 3.18Å; I449-Y452 VanDerWaalsContact O-N 3.16Å; I449-L460 HydrophobicContact CG2-CD1 4.4Å
450R77.1Confident72.4Confident65 Ų6564.8 Ų64.825%0.24534%0.337CS..Hα-helixtrans-64.8-29.7-179.7-166.757.3153.6-164-18113.6L446 R447 R448 Q458 D484L446-R450 PolarHBondContact O-N 2.75Å; R447-R450 PolarHBondContact O-N 3.08Å; R448-R450 VanDerWaalsContact C-N 3.26Å; R448-R450 PolarHBondContact O-N 3.34Å; R450-Q458 PolarHBondContact NH1-O 2.76Å; R450-D484 IonicContact CZ-OD1 3.76Å; R450-D484 IonicContact CZ-OD2 3.45Å; R450-D484 IonicContact NH1-OD1 2.6Å; R450-D484 PolarHBondContact NH1-OD1 3.41Å; R450-D484 IonicContact NH1-OD2 3.03Å; R450-D484 PolarHBondContact NH1-OD2 2.92Å; R450-D484 IonicContact NH2-OD1 2.63Å; R450-D484 PolarHBondContact NH2-OD1 3.02Å; R450-D484 IonicContact NH2-OD2 3.89Å; R450-D484 PolarHBondContact NH2-OD2 3.1Å
451N77Confident73.3Confident122 Ų12260.4 Ų60.465%0.65232%0.316SS*.Hα-helixtrans-90.4-7.3178.1-67.5-7.7000113.1R447 R448 I449R447-N451 WeakPolarHBondContact O-CB 3.3Å; R447-N451 PolarHBondContact O-N 2.94Å; R447-N451 PolarHBondContact O-OD1 3.46Å; R448-N451 CarbonylContact O-C 3.53Å; R448-N451 PolarHBondContact O-N 3.27Å; R448-N451 VanDerWaalsContact O-N 3.1Å; I449-N451 VanDerWaalsContact C-N 3.26Å; I449-N451 PolarHBondContact O-N 2.9Å
452Y69.1Low74.2Confident62 Ų6257.5 Ų57.524%0.24330%0.303CS..  trans-83.1128.6-178.8-163.4-85.3000110.1E406 V409 R448 I449E406-Y452 HydrophobicContact CB-CE2 4.21Å; E406-Y452 HydrophobicContact CG-CE2 4.1Å; V409-Y452 HydrophobicContact CB-CD1 3.89Å; V409-Y452 HydrophobicContact CB-CE1 4.11Å; V409-Y452 HydrophobicContact CB-CG 4.39Å; V409-Y452 HydrophobicContact CG1-CD1 3.22Å; V409-Y452 HydrophobicContact CG1-CE1 3.78Å; V409-Y452 HydrophobicContact CG1-CG 3.9Å; R448-Y452 WeakPolarHBondContact O-CB 3.09Å; R448-Y452 PolarHBondContact O-N 3.05Å; I449-Y452 WeakPolarHBondContact O-CB 3.11Å; I449-Y452 PolarHBondContact O-N 3.18Å; I449-Y452 VanDerWaalsContact O-N 3.16Å
453G59.6Low74.9Confident30 Ų3057.8 Ų57.831%0.30931%0.305SS..SBendtrans104.5136.4-174.400000112G455G453-G455 PolarHBondContact O-N 3.02Å
454N57.2Low75.2Confident180 Ų18057.3 Ų57.396%0.96330%0.304SS*.SBendtrans-72.852.3-168.2-139.417.2000112.8
455G55.7Low75.3Confident77 Ų7757.3 Ų57.379%0.79430%0.298SS*.SBendtrans94.3-4.8-175.500000115.7G453 K457G453-G455 PolarHBondContact O-N 3.02Å; G455-K457 PolarHBondContact O-N 3.03Å
456T57.7Low75.4Confident92 Ų9256.6 Ų56.656%0.56430%0.295SS*.  trans-81.399.6175.650.30000110.8Q458T456-Q458 PolarHBondContact O-N 2.92Å; T456-Q458 VanDerWaalsContact O-N 3.09Å
457K64.9Low75.2Confident152 Ų15258.2 Ų58.266%0.66130%0.304SS*.  trans-67.5104.3177.7-176.5179.7174.3-178.80110.6G455 D484G455-K457 PolarHBondContact O-N 3.03Å; K457-D484 IonicContact NZ-OD1 3Å
458Q74.5Confident74.8Confident28 Ų2852.2 Ų52.213%0.13128%0.282CS..  trans-77.3145170-73.6-174.5-22.600111.2R450 T456R450-Q458 PolarHBondContact NH1-O 2.76Å; T456-Q458 PolarHBondContact O-N 2.92Å; T456-Q458 VanDerWaalsContact O-N 3.09Å
459L85.6Confident74.8Confident31 Ų3145.6 Ų45.616%0.16226%0.257CS..EExtended strand (participates in β ladder)trans-68.7130.9172.6-174.872.2000109.9H346 L384 D418 G419 L420 V461 D484 F485H346-L459 WeakPolarHBondContact CD2-CD2 3.44Å; H346-L459 WeakPolarHBondContact NE2-CD2 3.02Å; L384-L459 HydrophobicContact CD1-CD2 4.09Å; L384-L459 HydrophobicContact CD2-CD2 3.89Å; L384-L459 HydrophobicContact CD2-CG 4.29Å; L384-L459 HydrophobicContact CG-CD2 4.37Å; D418-L459 PolarHBondContact O-N 2.85Å; G419-L459 CarbonylContact C-O 3.53Å; G419-L459 WeakPolarHBondContact CA-O 3.14Å; L420-L459 PolarHBondContact N-O 2.76Å; L459-V461 HydrophobicContact CG-CG2 4.48Å; L459-D484 HydrophobicContact CD1-CB 3.44Å; L459-D484 VanDerWaalsContact CD1-CB 3.44Å; L459-D484 HydrophobicContact CG-CB 4.47Å; L459-F485 HydrophobicContact CD1-CD2 4.12Å; L459-F485 HydrophobicContact CD1-CE2 3.92Å
460L87.9Confident74.6Confident3 Ų348.3 Ų48.32%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-119.8115.6179.3177.462.4000110.8L420 V422 L446 I449 D484 F485L420-L460 HydrophobicContact CD1-CD1 3.54Å; L420-L460 HydrophobicContact CG-CD1 4.32Å; V422-L460 HydrophobicContact CG2-CD1 4.21Å; L446-L460 HydrophobicContact CD2-CD1 4.48Å; L446-L460 HydrophobicContact CD2-CD2 4.31Å; I449-L460 HydrophobicContact CG2-CD1 4.4Å; L460-D484 PolarHBondContact N-OD2 3.49Å; L460-D484 PolarHBondContact O-N 2.76Å; L460-F485 PolarHBondContact O-N 2.82Å
461V89.2Confident74.3Confident0 Ų047.6 Ų47.60%027%0.269CS..EExtended strand (participates in β ladder)trans-108.6131.1173.8-175.80000109.5F322 L384 L420 T421 V422 L459 F485 N487F322-V461 HydrophobicContact CD2-CG2 4.34Å; F322-V461 HydrophobicContact CE2-CB 4.36Å; F322-V461 HydrophobicContact CE2-CG1 4.42Å; F322-V461 HydrophobicContact CE2-CG2 3.68Å; F322-V461 HydrophobicContact CZ-CB 4.49Å; F322-V461 HydrophobicContact CZ-CG1 4.47Å; F322-V461 HydrophobicContact CZ-CG2 4.26Å; L384-V461 HydrophobicContact CD2-CG2 3.84Å; L420-V461 PolarHBondContact O-N 3.17Å; T421-V461 CarbonylContact C-O 3.59Å; T421-V461 VanDerWaalsContact CA-O 3.29Å; T421-V461 WeakPolarHBondContact CA-O 3.42Å; T421-V461 HydrophobicContact CG2-CB 4.12Å; T421-V461 HydrophobicContact CG2-CG1 4.12Å; V422-V461 PolarHBondContact N-O 2.88Å; L459-V461 HydrophobicContact CG-CG2 4.48Å; V461-F485 WeakPolarHBondContact CA-O 3.49Å; V461-F485 HydrophobicContact CG1-CB 4.26Å; V461-F485 HydrophobicContact CG2-CB 4.17Å; V461-F485 HydrophobicContact CG2-CD2 4.2Å; V461-N487 HydrophobicContact CG1-CB 4.41Å
462V89Confident73.9Confident0 Ų049 Ų490%027%0.266CS..EExtended strand (participates in β ladder)trans-112.3120174.3176.40000108.3V422 I424 L446 W476 I479 A483 F485 L486 N487V422-V462 WeakPolarHBondContact O-CA 2.88Å; I424-V462 HydrophobicContact CD1-CG1 3.46Å; I424-V462 VanDerWaalsContact CD1-CG1 3.46Å; I424-V462 HydrophobicContact CG1-CG1 4.08Å; L446-V462 HydrophobicContact CD1-CG2 4.17Å; L446-V462 HydrophobicContact CD2-CG2 4.36Å; V462-W476 HydrophobicContact CG1-CZ3 4.24Å; V462-I479 HydrophobicContact CB-CG2 4.46Å; V462-I479 HydrophobicContact CG1-CG2 4.19Å; V462-I479 HydrophobicContact CG2-CG2 4.26Å; V462-A483 HydrophobicContact CB-CB 4.39Å; V462-A483 HydrophobicContact CG2-CB 3.92Å; V462-F485 PolarHBondContact N-O 3.02Å; V462-L486 HydrophobicContact CB-CD2 3.98Å; V462-L486 HydrophobicContact CG1-CD2 4.45Å; V462-L486 CarbonylContact O-C 3.51Å; V462-L486 WeakPolarHBondContact O-CA 3.39Å; V462-N487 PolarHBondContact O-N 3.2Å
463S87.3Confident73.7Confident14 Ų1448.3 Ų48.310%0.09827%0.265CS..EExtended strand (participates in β ladder)trans-105.4136.5179-640000110.9V422 K423 I424 N487V422-S463 PolarHBondContact O-N 3.34Å; K423-S463 CarbonylContact C-O 3.57Å; K423-S463 WeakPolarHBondContact CA-O 3.01Å; I424-S463 PolarHBondContact N-O 3.02Å; S463-N487 CarbonylContact C-O 3.51Å; S463-N487 VanDerWaalsContact CA-O 3.31Å; S463-N487 WeakPolarHBondContact CA-O 3.12Å; S463-N487 WeakPolarHBondContact OG-CB 3.27Å; S463-N487 PolarHBondContact OG-ND2 3.41Å
464T83.5Confident74.1Confident7 Ų747.8 Ų47.84%0.04326%0.255CS..EExtended strand (participates in β ladder)trans-147163.2176.7-1730000110.7I424 T468 W476 N487 F488 A489I424-T464 WeakPolarHBondContact O-CA 3.41Å; I424-T464 PolarHBondContact O-OG1 2.78Å; T464-T468 WeakPolarHBondContact OG1-CB 3.25Å; T464-W476 HydrophobicContact CG2-CH2 3.41Å; T464-W476 VanDerWaalsContact CG2-CH2 3.41Å; T464-W476 HydrophobicContact CG2-CZ2 3.76Å; T464-W476 HydrophobicContact CG2-CZ3 4.09Å; T464-N487 PolarHBondContact N-O 3.03Å; T464-F488 HydrophobicContact CG2-CD1 3.37Å; T464-F488 HydrophobicContact CG2-CE1 3.57Å; T464-F488 HydrophobicContact CG2-CG 4.41Å; T464-F488 CarbonylContact O-C 3.54Å; T464-F488 VanDerWaalsContact O-CA 3.32Å; T464-F488 WeakPolarHBondContact O-CA 3.22Å; T464-A489 PolarHBondContact O-N 3.22Å
465D78.5Confident75Confident40 Ų4041.4 Ų41.421%0.21422%0.221CC..EExtended strand (participates in β ladder)trans-80.7152.5165.661.866.7000112.3D467 T468 L469 A489D465-D467 VanDerWaalsContact C-N 3.27Å; D465-D467 PolarHBondContact O-N 3.43Å; D465-D467 WeakPolarHBondContact OD1-CB 3.46Å; D465-D467 PolarHBondContact OD1-N 2.82Å; D465-T468 WeakPolarHBondContact O-CB 3.28Å; D465-T468 PolarHBondContact O-N 2.79Å; D465-T468 WeakPolarHBondContact OD1-CA 3.37Å; D465-T468 WeakPolarHBondContact OD1-CB 3.49Å; D465-T468 PolarHBondContact OD1-N 3.39Å; D465-T468 PolarHBondContact OD1-OG1 2.95Å; D465-T468 PolarHBondContact OD2-OG1 3.29Å; D465-L469 PolarHBondContact O-N 3.42Å; D465-A489 CarbonylContact C-O 3.49Å; D465-A489 WeakPolarHBondContact CA-O 3.23Å
466V78.2Confident76.2Confident0 Ų037.7 Ų37.70%018%0.183CC..Hα-helixtrans-64.7-32.8178.4168.10000110.9T468 L469 Y470 F488 A489 M494 M495 F500V466-T468 VanDerWaalsContact C-N 3.27Å; V466-T468 PolarHBondContact O-N 2.92Å; V466-L469 WeakPolarHBondContact O-CB 3.42Å; V466-L469 PolarHBondContact O-N 2.8Å; V466-Y470 HydrophobicContact CG1-CD2 3.59Å; V466-Y470 HydrophobicContact CG1-CE2 3.35Å; V466-Y470 WeakPolarHBondContact O-CD2 3.47Å; V466-Y470 PolarHBondContact O-N 3.04Å; V466-F488 HydrophobicContact CG2-CB 3.93Å; V466-A489 WeakPolarHBondContact CG2-O 3.35Å; V466-A489 PolarHBondContact N-O 3.21Å; V466-M494 HydrophobicContact CG1-CB 3.97Å; V466-M494 HydrophobicContact CG1-CE 4.09Å; V466-M494 HydrophobicContact CG1-SD 4.48Å; V466-M495 HydrophobicContact CG2-CE 3.51Å; V466-M495 HydrophobicContact CG2-CG 3.93Å; V466-F500 HydrophobicContact CG1-CD2 4.41Å; V466-F500 HydrophobicContact CG2-CE2 4.28Å
467D73.5Confident77.4Confident37 Ų3737.2 Ų37.220%0.19818%0.176CC..Hα-helixtrans-58.1-41.5176-66.1-52000111D465 L469 Y470 T471 M494 K560D465-D467 VanDerWaalsContact C-N 3.27Å; D465-D467 PolarHBondContact O-N 3.43Å; D465-D467 WeakPolarHBondContact OD1-CB 3.46Å; D465-D467 PolarHBondContact OD1-N 2.82Å; D467-L469 VanDerWaalsContact C-N 3.32Å; D467-L469 PolarHBondContact O-N 3.03Å; D467-Y470 WeakPolarHBondContact O-CB 3.49Å; D467-Y470 PolarHBondContact O-N 3.02Å; D467-Y470 VanDerWaalsContact O-N 3.09Å; D467-T471 VanDerWaalsContact O-CG2 3.26Å; D467-T471 WeakPolarHBondContact O-CG2 3.35Å; D467-T471 PolarHBondContact O-N 3.09Å; D467-M494 WeakPolarHBondContact OD1-CE 3.37Å; D467-K560 IonicContact OD2-NZ 2.75Å; D467-K560 PolarHBondContact OD2-NZ 3.06Å
468T73.3Confident78.3Confident6 Ų633 Ų334%0.03716%0.157CC..Hα-helixtrans-66.4-31.5176.2-60.70000112.1G426 T464 D465 V466 T471 W476G426-T468 PolarHBondContact N-OG1 2.96Å; G426-T468 VanDerWaalsContact N-OG1 3.08Å; T464-T468 WeakPolarHBondContact OG1-CB 3.25Å; D465-T468 WeakPolarHBondContact O-CB 3.28Å; D465-T468 PolarHBondContact O-N 2.79Å; D465-T468 WeakPolarHBondContact OD1-CA 3.37Å; D465-T468 WeakPolarHBondContact OD1-CB 3.49Å; D465-T468 PolarHBondContact OD1-N 3.39Å; D465-T468 PolarHBondContact OD1-OG1 2.95Å; D465-T468 PolarHBondContact OD2-OG1 3.29Å; V466-T468 VanDerWaalsContact C-N 3.27Å; V466-T468 PolarHBondContact O-N 2.92Å; T468-T471 PolarHBondContact O-OG1 2.65Å; T468-W476 HydrophobicContact CG2-CZ2 4.23Å
469L75.9Confident78.7Confident0 Ų031.6 Ų31.60%015%0.151CC..Hα-helixtrans-66.7-40.6170.7-173.666000110.9D465 V466 D467 R472 W476 F488 F500 L503 I504 Y507D465-L469 PolarHBondContact O-N 3.42Å; V466-L469 WeakPolarHBondContact O-CB 3.42Å; V466-L469 PolarHBondContact O-N 2.8Å; D467-L469 VanDerWaalsContact C-N 3.32Å; D467-L469 PolarHBondContact O-N 3.03Å; L469-R472 PolarHBondContact O-N 2.89Å; L469-W476 HydrophobicContact CD1-CD2 4.19Å; L469-W476 HydrophobicContact CD1-CG 3.78Å; L469-F488 HydrophobicContact CB-CD1 4.45Å; L469-F488 HydrophobicContact CB-CE1 4.39Å; L469-F488 HydrophobicContact CD1-CE1 3.97Å; L469-F488 HydrophobicContact CD1-CZ 4.47Å; L469-F488 HydrophobicContact CD2-CD1 4.12Å; L469-F488 HydrophobicContact CD2-CE1 3.94Å; L469-F488 HydrophobicContact CD2-CZ 4.41Å; L469-F488 HydrophobicContact CG-CE1 4.32Å; L469-F500 HydrophobicContact CD2-CD2 3.85Å; L469-F500 HydrophobicContact CD2-CE2 3.53Å; L469-L503 HydrophobicContact CD2-CB 4.42Å; L469-L503 HydrophobicContact CG-CD1 4.37Å; L469-I504 HydrophobicContact CD2-CD1 4.28Å; L469-Y507 HydrophobicContact CD1-CD2 3.95Å; L469-Y507 HydrophobicContact CD1-CE2 3.75Å; L469-Y507 HydrophobicContact CG-CE2 4.49Å
470Y73.1Confident78.8Confident69 Ų6930.6 Ų30.627%0.27115%0.146SC..Hα-helixtrans-70.3-27.7179.2-82.5-73000114.1V466 D467 R472 M494 D499 F500 L503V466-Y470 HydrophobicContact CG1-CD2 3.59Å; V466-Y470 HydrophobicContact CG1-CE2 3.35Å; V466-Y470 WeakPolarHBondContact O-CD2 3.47Å; V466-Y470 PolarHBondContact O-N 3.04Å; D467-Y470 WeakPolarHBondContact O-CB 3.49Å; D467-Y470 PolarHBondContact O-N 3.02Å; D467-Y470 VanDerWaalsContact O-N 3.09Å; Y470-R472 PolarHBondContact O-N 2.85Å; Y470-R472 VanDerWaalsContact O-N 3.15Å; Y470-M494 HydrophobicContact CD2-CE 3.71Å; Y470-M494 HydrophobicContact CE2-CB 4.42Å; Y470-M494 HydrophobicContact CE2-CE 3.8Å; Y470-M494 PolarHBondContact OH-O 2.81Å; Y470-D499 HydrophobicContact CE1-CB 3.98Å; Y470-F500 PolarHBondContact OH-N 3.21Å; Y470-L503 HydrophobicContact CD1-CD1 3.46Å; Y470-L503 VanDerWaalsContact CD1-CD1 3.46Å; Y470-L503 HydrophobicContact CE1-CD1 3.39Å; Y470-L503 HydrophobicContact CE2-CD1 4.5Å; Y470-L503 HydrophobicContact CG-CD1 4.06Å
471T70.5Confident78.7Confident49 Ų4937.4 Ų37.430%0.30118%0.175SC..THydrogen-bonded Turntrans-65.1-16.9177.768.60000112.9D467 T468 Q473D467-T471 VanDerWaalsContact O-CG2 3.26Å; D467-T471 WeakPolarHBondContact O-CG2 3.35Å; D467-T471 PolarHBondContact O-N 3.09Å; T468-T471 PolarHBondContact O-OG1 2.65Å; T471-Q473 WeakPolarHBondContact O-CG 3.23Å; T471-Q473 PolarHBondContact O-N 2.84Å; T471-Q473 VanDerWaalsContact O-N 3.14Å; T471-Q473 VanDerWaalsContact OG1-CG 3.29Å; T471-Q473 WeakPolarHBondContact OG1-CG 3.45Å; T471-Q473 PolarHBondContact OG1-N 3.03Å
472R68.6Low78.5Confident153 Ų15338.4 Ų38.458%0.57718%0.181SC*.THydrogen-bonded Turntrans54.723.6-175-56.9-169.3167.6-154.2-11.4114.5L469 Y470 D506 Y507L469-R472 PolarHBondContact O-N 2.89Å; Y470-R472 PolarHBondContact O-N 2.85Å; Y470-R472 VanDerWaalsContact O-N 3.15Å; R472-D506 IonicContact NH2-OD2 2.93Å; R472-D506 PolarHBondContact NH2-OD2 3.34Å; R472-Y507 VanDerWaalsContact CA-OH 3.25Å; R472-Y507 WeakPolarHBondContact CA-OH 3.24Å; R472-Y507 WeakPolarHBondContact CB-OH 3.29Å; R472-Y507 WeakPolarHBondContact CG-OH 3.46Å
473Q64.2Low78.5Confident47 Ų4738.4 Ų38.422%0.2218%0.181CC..  trans-82.8-18.2-176.3-63.5-174.6-17.500112.9I435 T439 T471I435-Q473 HydrophobicContact CD1-CB 4.15Å; I435-Q473 HydrophobicContact CD1-CG 3.66Å; I435-Q473 HydrophobicContact CG2-CB 3.56Å; I435-Q473 HydrophobicContact CG2-CG 4.2Å; I435-Q473 WeakPolarHBondContact CG2-O 3.34Å; T439-Q473 PolarHBondContact OG1-O 3.01Å; T471-Q473 WeakPolarHBondContact O-CG 3.23Å; T471-Q473 PolarHBondContact O-N 2.84Å; T471-Q473 VanDerWaalsContact O-N 3.14Å; T471-Q473 VanDerWaalsContact OG1-CG 3.29Å; T471-Q473 WeakPolarHBondContact OG1-CG 3.45Å; T471-Q473 PolarHBondContact OG1-N 3.03Å
474V68.1Low78.6Confident19 Ų1939 Ų3912%0.11518%0.183CC..SBendtrans-113.6135.3179.6179.70000109.6L442 W476 I479L442-V474 HydrophobicContact CD2-CG1 4.28Å; V474-W476 VanDerWaalsContact C-N 3.28Å; V474-W476 HydrophobicContact CB-CD2 4.43Å; V474-W476 HydrophobicContact CB-CZ2 4.15Å; V474-W476 HydrophobicContact CG1-CD2 4.17Å; V474-W476 HydrophobicContact CG1-CZ2 4.27Å; V474-W476 PolarHBondContact O-N 2.82Å; V474-I479 HydrophobicContact CG1-CG1 3.98Å
475D75.7Confident79Confident45 Ų4539.7 Ų39.724%0.24119%0.185CC..  trans-75.183169.8-174.3-8.9000109.9T439 M477 K478 I479T439-D475 HydrophobicContact CG2-CB 3.65Å; D475-M477 PolarHBondContact O-N 2.84Å; D475-M477 WeakPolarHBondContact OD1-CB 2.94Å; D475-M477 PolarHBondContact OD1-N 3.01Å; D475-M477 VanDerWaalsContact OD1-N 3.13Å; D475-K478 HydrophobicContact CB-CB 4.48Å; D475-K478 HydrophobicContact CB-CD 4.39Å; D475-K478 HydrophobicContact CB-CG 4.49Å; D475-K478 WeakPolarHBondContact O-CB 3.41Å; D475-K478 PolarHBondContact O-N 3.37Å; D475-K478 VanDerWaalsContact O-N 3.07Å; D475-K478 PolarHBondContact OD1-N 2.77Å; D475-K478 WeakPolarHBondContact OD2-CD 3.15Å; D475-K478 VanDerWaalsContact OD2-CE 3.26Å; D475-K478 WeakPolarHBondContact OD2-CE 3.01Å; D475-K478 WeakPolarHBondContact OD2-CG 3.01Å; D475-I479 PolarHBondContact O-N 3.04Å
476W81.5Confident79.6Confident0 Ų037.8 Ų37.80%018%0.175CC..Hα-helixtrans-63.4-20179.5-68103.1000113.5V462 T464 T468 L469 V474 K478 I479 S480 L486 Y507 I509V462-W476 HydrophobicContact CG1-CZ3 4.24Å; T464-W476 HydrophobicContact CG2-CH2 3.41Å; T464-W476 VanDerWaalsContact CG2-CH2 3.41Å; T464-W476 HydrophobicContact CG2-CZ2 3.76Å; T464-W476 HydrophobicContact CG2-CZ3 4.09Å; T468-W476 HydrophobicContact CG2-CZ2 4.23Å; L469-W476 HydrophobicContact CD1-CD2 4.19Å; L469-W476 HydrophobicContact CD1-CG 3.78Å; V474-W476 VanDerWaalsContact C-N 3.28Å; V474-W476 HydrophobicContact CB-CD2 4.43Å; V474-W476 HydrophobicContact CB-CZ2 4.15Å; V474-W476 HydrophobicContact CG1-CD2 4.17Å; V474-W476 HydrophobicContact CG1-CZ2 4.27Å; V474-W476 PolarHBondContact O-N 2.82Å; W476-K478 VanDerWaalsContact C-N 3.32Å; W476-K478 PolarHBondContact O-N 3.17Å; W476-I479 HydrophobicContact CE3-CB 4.17Å; W476-I479 HydrophobicContact CE3-CG1 4.45Å; W476-I479 HydrophobicContact CE3-CG2 4.17Å; W476-I479 HydrophobicContact CZ3-CG2 4.14Å; W476-I479 PolarHBondContact O-N 3.48Å; W476-S480 WeakPolarHBondContact O-CB 3.25Å; W476-S480 PolarHBondContact O-N 3.16Å; W476-S480 PolarHBondContact O-OG 3.33Å; W476-S480 VanDerWaalsContact O-OG 3.13Å; W476-L486 HydrophobicContact CE3-CD2 4.45Å; W476-L486 HydrophobicContact CZ3-CD2 4.42Å; W476-Y507 HydrophobicContact CB-CD1 4.13Å; W476-Y507 HydrophobicContact CB-CD2 4.28Å; W476-Y507 HydrophobicContact CB-CG 4.01Å; W476-Y507 AromaticContact CD1-CZ 4Å; W476-I509 HydrophobicContact CB-CD1 3.92Å
477M83.2Confident80.2Confident82 Ų8238.2 Ų38.240%0.40418%0.177SC..Hα-helixtrans-64.4-39.5172.8-172.9-176.947.500110.7D475 S480 K481 Y507D475-M477 PolarHBondContact O-N 2.84Å; D475-M477 WeakPolarHBondContact OD1-CB 2.94Å; D475-M477 PolarHBondContact OD1-N 3.01Å; D475-M477 VanDerWaalsContact OD1-N 3.13Å; M477-S480 PolarHBondContact O-OG 3.05Å; M477-K481 WeakPolarHBondContact O-CG 3.35Å; M477-Y507 WeakPolarHBondContact CA-O 2.97Å; M477-Y507 WeakPolarHBondContact CB-O 3.42Å; M477-Y507 WeakPolarHBondContact CG-O 3.49Å
478K83Confident81Confident62 Ų6236.4 Ų36.427%0.2717%0.168SC..Hα-helixtrans-69.5-44.8176-77.9-177.6-171.2-177.60112E440 H443 D475 W476 K481E440-K478 IonicContact OE1-NZ 3.5Å; E440-K478 PolarHBondContact OE1-NZ 3.2Å; E440-K478 IonicContact OE2-NZ 3.54Å; H443-K478 PolarHBondContact CE1-O 2.94Å; D475-K478 HydrophobicContact CB-CB 4.48Å; D475-K478 HydrophobicContact CB-CD 4.39Å; D475-K478 HydrophobicContact CB-CG 4.49Å; D475-K478 WeakPolarHBondContact O-CB 3.41Å; D475-K478 PolarHBondContact O-N 3.37Å; D475-K478 VanDerWaalsContact O-N 3.07Å; D475-K478 PolarHBondContact OD1-N 2.77Å; D475-K478 WeakPolarHBondContact OD2-CD 3.15Å; D475-K478 VanDerWaalsContact OD2-CE 3.26Å; D475-K478 WeakPolarHBondContact OD2-CE 3.01Å; D475-K478 WeakPolarHBondContact OD2-CG 3.01Å; W476-K478 VanDerWaalsContact C-N 3.32Å; W476-K478 PolarHBondContact O-N 3.17Å; K478-K481 PolarHBondContact O-N 3.29Å
479I84Confident81.5Confident0 Ų037.1 Ų37.10%017%0.174CC..Hα-helixtrans-63.4-44.5179.9-55.5-60000111.3L442 L446 V462 V474 D475 W476 K481 L482 A483 L486L442-I479 HydrophobicContact CD2-CD1 3.66Å; L442-I479 HydrophobicContact CD2-CG1 4.39Å; L442-I479 HydrophobicContact CG-CD1 3.72Å; L446-I479 HydrophobicContact CD1-CD1 3.69Å; L446-I479 HydrophobicContact CD1-CG2 3.9Å; V462-I479 HydrophobicContact CB-CG2 4.46Å; V462-I479 HydrophobicContact CG1-CG2 4.19Å; V462-I479 HydrophobicContact CG2-CG2 4.26Å; V474-I479 HydrophobicContact CG1-CG1 3.98Å; D475-I479 PolarHBondContact O-N 3.04Å; W476-I479 HydrophobicContact CE3-CB 4.17Å; W476-I479 HydrophobicContact CE3-CG1 4.45Å; W476-I479 HydrophobicContact CE3-CG2 4.17Å; W476-I479 HydrophobicContact CZ3-CG2 4.14Å; W476-I479 PolarHBondContact O-N 3.48Å; I479-K481 PolarHBondContact O-N 3.41Å; I479-K481 VanDerWaalsContact O-N 3.14Å; I479-L482 PolarHBondContact O-N 2.98Å; I479-A483 PolarHBondContact O-N 3.35Å; I479-L486 HydrophobicContact CG2-CD2 4.07Å
480S85.9Confident81.5Confident9 Ų937.4 Ų37.46%0.06318%0.177CC..Hα-helixtrans-62.1-22-179.269.50000114.3W476 M477 K513W476-S480 WeakPolarHBondContact O-CB 3.25Å; W476-S480 PolarHBondContact O-N 3.16Å; W476-S480 PolarHBondContact O-OG 3.33Å; W476-S480 VanDerWaalsContact O-OG 3.13Å; M477-S480 PolarHBondContact O-OG 3.05Å; S480-K513 PolarHBondContact O-NZ 3.48Å
481K86Confident81.4Confident146 Ų14637.9 Ų37.964%0.63518%0.181SC*.Hα-helixtrans-72.9-28.8174-71.1174-176.9177.10112.6M477 K478 I479M477-K481 WeakPolarHBondContact O-CG 3.35Å; K478-K481 PolarHBondContact O-N 3.29Å; I479-K481 PolarHBondContact O-N 3.41Å; I479-K481 VanDerWaalsContact O-N 3.14Å
482L86.5Confident81Confident21 Ų2135.8 Ų35.811%0.1117%0.168CC..Hα-helixtrans-92.6-43.7-178.5-63.2175.7000111.9H443 L446 R447 I479H443-L482 WeakPolarHBondContact ND1-CD1 3.34Å; L446-L482 HydrophobicContact CB-CD1 3.64Å; R447-L482 HydrophobicContact CB-CD1 4.11Å; R447-L482 HydrophobicContact CB-CD2 4.39Å; I479-L482 PolarHBondContact O-N 2.98Å
483A88.4Confident80.8Confident0 Ų031.4 Ų31.40%016%0.156CC..  trans-68.8141-179.800000111.8V462 I479 L486 K513V462-A483 HydrophobicContact CB-CB 4.39Å; V462-A483 HydrophobicContact CG2-CB 3.92Å; I479-A483 PolarHBondContact O-N 3.35Å; A483-L486 HydrophobicContact CB-CD2 3.82Å; A483-L486 HydrophobicContact CB-CG 4.37Å; A483-K513 PolarHBondContact O-NZ 3.35Å
484D89.3Confident80.7Confident27 Ų2731.2 Ų31.214%0.14416%0.156CC..SBendtrans-80.4-38.3168.9-61.7-63.2000110.1R450 K457 L459 L460 K513R450-D484 IonicContact CZ-OD1 3.76Å; R450-D484 IonicContact CZ-OD2 3.45Å; R450-D484 IonicContact NH1-OD1 2.6Å; R450-D484 PolarHBondContact NH1-OD1 3.41Å; R450-D484 IonicContact NH1-OD2 3.03Å; R450-D484 PolarHBondContact NH1-OD2 2.92Å; R450-D484 IonicContact NH2-OD1 2.63Å; R450-D484 PolarHBondContact NH2-OD1 3.02Å; R450-D484 IonicContact NH2-OD2 3.89Å; R450-D484 PolarHBondContact NH2-OD2 3.1Å; K457-D484 IonicContact NZ-OD1 3Å; L459-D484 HydrophobicContact CD1-CB 3.44Å; L459-D484 VanDerWaalsContact CD1-CB 3.44Å; L459-D484 HydrophobicContact CG-CB 4.47Å; L460-D484 PolarHBondContact N-OD2 3.49Å; L460-D484 PolarHBondContact O-N 2.76Å; D484-K513 WeakPolarHBondContact O-CG 3.23Å
485F91.6Very high80.7Confident21 Ų2130.3 Ų30.39%0.09215%0.15CC..EExtended strand (participates in β ladder)trans-133.7147.8171.5-59.1-71.8000112.7V320 H346 L459 L460 V461 V462 K513 L515 A580V320-F485 HydrophobicContact CG2-CD1 4.45Å; V320-F485 HydrophobicContact CG2-CE1 3.66Å; V320-F485 HydrophobicContact CG2-CE2 4.33Å; V320-F485 HydrophobicContact CG2-CZ 3.59Å; H346-F485 AromaticContact NE2-CE2 3.94Å; L459-F485 HydrophobicContact CD1-CD2 4.12Å; L459-F485 HydrophobicContact CD1-CE2 3.92Å; L460-F485 PolarHBondContact O-N 2.82Å; V461-F485 WeakPolarHBondContact CA-O 3.49Å; V461-F485 HydrophobicContact CG1-CB 4.26Å; V461-F485 HydrophobicContact CG2-CB 4.17Å; V461-F485 HydrophobicContact CG2-CD2 4.2Å; V462-F485 PolarHBondContact N-O 3.02Å; F485-K513 CarbonylContact C-O 3.57Å; F485-K513 VanDerWaalsContact CA-O 3.26Å; F485-K513 WeakPolarHBondContact CA-O 3.49Å; F485-L515 HydrophobicContact CB-CD1 3.73Å; F485-L515 HydrophobicContact CB-CG 4.18Å; F485-L515 HydrophobicContact CD1-CG 4.47Å; F485-L515 HydrophobicContact CG-CD1 4.15Å; F485-A580 HydrophobicContact CD1-CB 3.84Å; F485-A580 HydrophobicContact CE1-CB 3.84Å
486L91.3Very high79.9Confident1 Ų131.3 Ų31.31%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-117.1112.4174.3-67.2174.8000108.7V462 W476 I479 A483 F488 I509 K513 V514 L515V462-L486 HydrophobicContact CB-CD2 3.98Å; V462-L486 HydrophobicContact CG1-CD2 4.45Å; V462-L486 CarbonylContact O-C 3.51Å; V462-L486 WeakPolarHBondContact O-CA 3.39Å; W476-L486 HydrophobicContact CE3-CD2 4.45Å; W476-L486 HydrophobicContact CZ3-CD2 4.42Å; I479-L486 HydrophobicContact CG2-CD2 4.07Å; A483-L486 HydrophobicContact CB-CD2 3.82Å; A483-L486 HydrophobicContact CB-CG 4.37Å; L486-F488 HydrophobicContact CB-CE2 3.72Å; L486-F488 HydrophobicContact CB-CZ 3.94Å; L486-F488 HydrophobicContact CD1-CZ 4.24Å; L486-I509 HydrophobicContact CD1-CD1 4.25Å; L486-I509 HydrophobicContact CD1-CG1 4.35Å; L486-I509 HydrophobicContact CD1-CG2 3.69Å; L486-K513 PolarHBondContact N-O 3.49Å; L486-V514 CarbonylContact O-C 3.52Å; L486-V514 WeakPolarHBondContact O-CA 3.15Å; L486-L515 PolarHBondContact O-N 3.21Å
487N90.8Very high78.8Confident8 Ų832.9 Ų32.94%0.04317%0.166CC..EExtended strand (participates in β ladder)trans-96.9123.8178.5175.542.9000110.5V461 V462 S463 T464 L515 G517 T583V461-N487 HydrophobicContact CG1-CB 4.41Å; V462-N487 PolarHBondContact O-N 3.2Å; S463-N487 CarbonylContact C-O 3.51Å; S463-N487 VanDerWaalsContact CA-O 3.31Å; S463-N487 WeakPolarHBondContact CA-O 3.12Å; S463-N487 WeakPolarHBondContact OG-CB 3.27Å; S463-N487 PolarHBondContact OG-ND2 3.41Å; T464-N487 PolarHBondContact N-O 3.03Å; N487-L515 WeakPolarHBondContact CA-O 3.42Å; N487-L515 HydrophobicContact CB-CB 4.16Å; N487-L515 HydrophobicContact CB-CD1 4.47Å; N487-G517 PolarHBondContact OD1-N 2.88Å; N487-T583 WeakPolarHBondContact OD1-CB 3.21Å; N487-T583 PolarHBondContact OD1-OG1 2.87Å
488F89.3Confident77.8Confident0 Ų035 Ų350%018%0.18CC..EExtended strand (participates in β ladder)trans-113113177.8-60.2-79.9000109.8T464 V466 L469 L486 M495 F500 I504 I509 V514 L515 G517T464-F488 HydrophobicContact CG2-CD1 3.37Å; T464-F488 HydrophobicContact CG2-CE1 3.57Å; T464-F488 HydrophobicContact CG2-CG 4.41Å; T464-F488 CarbonylContact O-C 3.54Å; T464-F488 VanDerWaalsContact O-CA 3.32Å; T464-F488 WeakPolarHBondContact O-CA 3.22Å; V466-F488 HydrophobicContact CG2-CB 3.93Å; L469-F488 HydrophobicContact CB-CD1 4.45Å; L469-F488 HydrophobicContact CB-CE1 4.39Å; L469-F488 HydrophobicContact CD1-CE1 3.97Å; L469-F488 HydrophobicContact CD1-CZ 4.47Å; L469-F488 HydrophobicContact CD2-CD1 4.12Å; L469-F488 HydrophobicContact CD2-CE1 3.94Å; L469-F488 HydrophobicContact CD2-CZ 4.41Å; L469-F488 HydrophobicContact CG-CE1 4.32Å; L486-F488 HydrophobicContact CB-CE2 3.72Å; L486-F488 HydrophobicContact CB-CZ 3.94Å; L486-F488 HydrophobicContact CD1-CZ 4.24Å; F488-M495 WeakPolarHBondContact O-CE 3.43Å; F488-F500 HydrophobicContact CB-CE2 4.43Å; F488-F500 HydrophobicContact CB-CZ 4.42Å; F488-F500 HydrophobicContact CD2-CZ 4.17Å; F488-F500 HydrophobicContact CG-CE2 4.34Å; F488-F500 HydrophobicContact CG-CZ 4.33Å; F488-I504 HydrophobicContact CE2-CD1 4.02Å; F488-I504 HydrophobicContact CZ-CD1 4.25Å; F488-I509 HydrophobicContact CZ-CD1 4.4Å; F488-V514 HydrophobicContact CD2-CG1 3.84Å; F488-V514 HydrophobicContact CE2-CG1 3.99Å; F488-V514 HydrophobicContact CE2-CG2 4.29Å; F488-L515 PolarHBondContact N-O 3.07Å; F488-G517 PolarHBondContact O-N 2.04Å
489A84.4Confident77.2Confident21 Ų2136.3 Ų36.317%0.17419%0.189CC..EExtended strand (participates in β ladder)trans-93.7145.517400000110.9T464 D465 V466T464-A489 PolarHBondContact O-N 3.22Å; D465-A489 CarbonylContact C-O 3.49Å; D465-A489 WeakPolarHBondContact CA-O 3.23Å; V466-A489 WeakPolarHBondContact CG2-O 3.35Å; V466-A489 PolarHBondContact N-O 3.21Å
490G76.5Confident76.9Confident5 Ų536.3 Ų36.35%0.05219%0.189CC..SBendtrans156.7178.3-176.500000112.2M495 K570G490-M495 WeakPolarHBondContact O-CE 3.47Å; G490-K570 WeakPolarHBondContact O-CE 3.5Å; G490-K570 PolarHBondContact O-NZ 3.46Å
491K70.5Confident76.3Confident80 Ų8036.2 Ų36.235%0.34819%0.188SC..  trans-71.7145.9-177.7-63.1-174.6177.2-1770111.5D493 M494 M495K491-D493 VanDerWaalsContact C-N 3.27Å; K491-D493 WeakPolarHBondContact CB-OD1 3.45Å; K491-D493 PolarHBondContact O-N 3.34Å; K491-M494 HydrophobicContact CB-CG 4.36Å; K491-M494 PolarHBondContact O-N 3.34Å; K491-M495 PolarHBondContact O-N 3.42Å
492A62.9Low75.9Confident5 Ų534.7 Ų34.74%0.04118%0.182CC..Hα-helixtrans-62.8-33.1-175.800000112.8M495 Q496 K570A492-M495 PolarHBondContact O-N 3.36Å; A492-Q496 VanDerWaalsContact O-CB 3.32Å; A492-Q496 WeakPolarHBondContact O-CB 3.42Å; A492-Q496 WeakPolarHBondContact O-CG 3.39Å; A492-Q496 PolarHBondContact O-N 3.01Å; A492-Q496 PolarHBondContact O-NE2 2.74Å; A492-K570 HydrophobicContact CB-CG 4.01Å
493D63Low75.7Confident60 Ų6034 Ų3432%0.32118%0.178SC..Hα-helixtrans-62.5-41.6175.861.2-25.7000113K491 M495 Q496 A497K491-D493 VanDerWaalsContact C-N 3.27Å; K491-D493 WeakPolarHBondContact CB-OD1 3.45Å; K491-D493 PolarHBondContact O-N 3.34Å; D493-M495 VanDerWaalsContact C-N 3.34Å; D493-Q496 PolarHBondContact O-N 3.16Å; D493-A497 PolarHBondContact O-N 3.41Å; D493-A497 VanDerWaalsContact O-N 3.12Å
494M62.2Low75.5Confident44 Ų4434.1 Ų34.122%0.21718%0.178CC..Hα-helixtrans-64.4-40.4177-63.1-175.177.200111.2V466 D467 Y470 K491 F500V466-M494 HydrophobicContact CG1-CB 3.97Å; V466-M494 HydrophobicContact CG1-CE 4.09Å; V466-M494 HydrophobicContact CG1-SD 4.48Å; D467-M494 WeakPolarHBondContact OD1-CE 3.37Å; Y470-M494 HydrophobicContact CD2-CE 3.71Å; Y470-M494 HydrophobicContact CE2-CB 4.42Å; Y470-M494 HydrophobicContact CE2-CE 3.8Å; Y470-M494 PolarHBondContact OH-O 2.81Å; K491-M494 HydrophobicContact CB-CG 4.36Å; K491-M494 PolarHBondContact O-N 3.34Å; M494-F500 WeakPolarHBondContact O-CB 3.29Å
495M68.3Low75.2Confident0 Ų036.6 Ų36.60%019%0.189CC..Hα-helixtrans-73.1-29.8177.3-60.4175.6-177.500112.5V466 F488 G490 K491 A492 D493 A497 F500 L516 K570 L573V466-M495 HydrophobicContact CG2-CE 3.51Å; V466-M495 HydrophobicContact CG2-CG 3.93Å; F488-M495 WeakPolarHBondContact O-CE 3.43Å; G490-M495 WeakPolarHBondContact O-CE 3.47Å; K491-M495 PolarHBondContact O-N 3.42Å; A492-M495 PolarHBondContact O-N 3.36Å; D493-M495 VanDerWaalsContact C-N 3.34Å; M495-A497 VanDerWaalsContact C-N 3.33Å; M495-F500 HydrophobicContact CB-CD1 4.48Å; M495-F500 WeakPolarHBondContact O-CD1 3.36Å; M495-L516 HydrophobicContact SD-CB 4.17Å; M495-L516 HydrophobicContact SD-CD1 4.48Å; M495-L516 HydrophobicContact SD-CD2 3.93Å; M495-L516 HydrophobicContact SD-CG 4.42Å; M495-K570 HydrophobicContact SD-CD 4.31Å; M495-K570 HydrophobicContact SD-CG 4.26Å; M495-L573 HydrophobicContact CB-CD2 3.47Å; M495-L573 VanDerWaalsContact CB-CD2 3.47Å
496Q59.7Low74.7Confident66 Ų6639.7 Ų39.731%0.30821%0.207SC..Hα-helixtrans-72.6-25177.1-82.2174.666.300113.2A492 D493 Q569 L573 L921A492-Q496 VanDerWaalsContact O-CB 3.32Å; A492-Q496 WeakPolarHBondContact O-CB 3.42Å; A492-Q496 WeakPolarHBondContact O-CG 3.39Å; A492-Q496 PolarHBondContact O-N 3.01Å; A492-Q496 PolarHBondContact O-NE2 2.74Å; D493-Q496 PolarHBondContact O-N 3.16Å; Q496-Q569 VanDerWaalsContact NE2-OE1 3.11Å; Q496-L573 HydrophobicContact CG-CD1 3.79Å; Q496-L573 HydrophobicContact CG-CD2 4.11Å; Q496-L921 HydrophobicContact CG-CD1 3.77Å
497A58.6Low74.4Confident32 Ų3241.1 Ų41.126%0.26421%0.212SC..SBendtrans-58.7140.7-179.600000111.5D493 M495 D499 F500D493-A497 PolarHBondContact O-N 3.41Å; D493-A497 VanDerWaalsContact O-N 3.12Å; M495-A497 VanDerWaalsContact C-N 3.33Å; A497-D499 HydrophobicContact CB-CB 4.33Å; A497-D499 PolarHBondContact O-N 2.73Å; A497-F500 PolarHBondContact O-N 2.84Å
498D62.2Low74Confident128 Ų12843.4 Ų43.468%0.68424%0.238SC*.Hα-helixtrans-52.3-30.4170.8-73.9-32.7000111.4F500 N501 K502D498-F500 PolarHBondContact O-N 3.13Å; D498-N501 PolarHBondContact O-N 3.26Å; D498-K502 WeakPolarHBondContact O-CB 3.47Å; D498-K502 PolarHBondContact O-N 3.09Å
499D69.6Low73.9Confident88 Ų8843.9 Ų43.947%0.47124%0.24SC..Hα-helixtrans-60.9-38.1177.3-63.9-27.7000113.3Y470 A497 K502 L503Y470-D499 HydrophobicContact CE1-CB 3.98Å; A497-D499 HydrophobicContact CB-CB 4.33Å; A497-D499 PolarHBondContact O-N 2.73Å; D499-K502 PolarHBondContact O-N 2.86Å; D499-L503 WeakPolarHBondContact O-CB 3.28Å; D499-L503 VanDerWaalsContact O-CG 3.29Å; D499-L503 WeakPolarHBondContact O-CG 3.23Å; D499-L503 PolarHBondContact O-N 2.88Å
500F77.7Confident73.8Confident0 Ų045.6 Ų45.60%025%0.246CC..Hα-helixtrans-65.4-45.6177.8178.7-103.5000110.9V466 L469 Y470 F488 M494 M495 A497 D498 K502 L503 I504 L516 F579V466-F500 HydrophobicContact CG1-CD2 4.41Å; V466-F500 HydrophobicContact CG2-CE2 4.28Å; L469-F500 HydrophobicContact CD2-CD2 3.85Å; L469-F500 HydrophobicContact CD2-CE2 3.53Å; Y470-F500 PolarHBondContact OH-N 3.21Å; F488-F500 HydrophobicContact CB-CE2 4.43Å; F488-F500 HydrophobicContact CB-CZ 4.42Å; F488-F500 HydrophobicContact CD2-CZ 4.17Å; F488-F500 HydrophobicContact CG-CE2 4.34Å; F488-F500 HydrophobicContact CG-CZ 4.33Å; M494-F500 WeakPolarHBondContact O-CB 3.29Å; M495-F500 HydrophobicContact CB-CD1 4.48Å; M495-F500 WeakPolarHBondContact O-CD1 3.36Å; A497-F500 PolarHBondContact O-N 2.84Å; D498-F500 PolarHBondContact O-N 3.13Å; F500-K502 VanDerWaalsContact C-N 3.32Å; F500-K502 PolarHBondContact O-N 3.45Å; F500-L503 WeakPolarHBondContact O-CB 3.2Å; F500-L503 PolarHBondContact O-N 3.07Å; F500-L503 VanDerWaalsContact O-N 3.16Å; F500-I504 HydrophobicContact CD1-CG1 4.36Å; F500-I504 HydrophobicContact CE1-CD1 4.44Å; F500-I504 HydrophobicContact CE1-CG1 4.01Å; F500-I504 HydrophobicContact CE2-CD1 4.42Å; F500-I504 HydrophobicContact CZ-CD1 4.06Å; F500-I504 HydrophobicContact CZ-CG1 4.11Å; F500-I504 WeakPolarHBondContact O-CG1 3.26Å; F500-I504 PolarHBondContact O-N 2.7Å; F500-L516 HydrophobicContact CE1-CD2 4.08Å; F500-L516 HydrophobicContact CZ-CD2 4.13Å; F500-F579 HydrophobicContact CD1-CE2 4.45Å; F500-F579 HydrophobicContact CD1-CZ 4.25Å; F500-F579 AromaticContact CE1-CE2 3.79Å; F500-F579 HydrophobicContact CE1-CE2 3.79Å; F500-F579 AromaticContact CE1-CZ 3.7Å; F500-F579 HydrophobicContact CE1-CZ 3.7Å
501N74.3Confident74.1Confident7 Ų747.1 Ų47.14%0.03725%0.251CS..Hα-helixtrans-64.9-39.3178.2-65.3-59.3000112.6D498 L503 I504 Q505 K577D498-N501 PolarHBondContact O-N 3.26Å; N501-L503 VanDerWaalsContact C-N 3.33Å; N501-I504 PolarHBondContact O-N 2.92Å; N501-Q505 WeakPolarHBondContact O-CG 3.31Å; N501-Q505 PolarHBondContact O-N 3.12Å; N501-K577 WeakPolarHBondContact ND2-CE 3.3Å; N501-K577 PolarHBondContact ND2-NZ 3.44Å; N501-K577 VanDerWaalsContact OD1-CD 3.31Å; N501-K577 WeakPolarHBondContact OD1-CD 3.46Å; N501-K577 WeakPolarHBondContact OD1-CE 3.03Å; N501-K577 WeakPolarHBondContact OD1-CG 3.31Å
502K77.7Confident74.6Confident115 Ų11547.4 Ų47.450%0.525%0.249SC..Hα-helixtrans-62.2-41.8173.3-172.7179177.7-176.60110.9D498 D499 F500 Q505 D506D498-K502 WeakPolarHBondContact O-CB 3.47Å; D498-K502 PolarHBondContact O-N 3.09Å; D499-K502 PolarHBondContact O-N 2.86Å; F500-K502 VanDerWaalsContact C-N 3.32Å; F500-K502 PolarHBondContact O-N 3.45Å; K502-Q505 PolarHBondContact O-N 2.99Å; K502-D506 VanDerWaalsContact O-CB 3.28Å; K502-D506 WeakPolarHBondContact O-CB 3.29Å; K502-D506 PolarHBondContact O-N 3.39Å
503L81.5Confident75.8Confident7 Ų749.4 Ų49.44%0.03726%0.257CS..Hα-helixtrans-62.1-46.1174.6-75.2167.4000112.2L469 Y470 D499 F500 N501 Q505 D506 Y507L469-L503 HydrophobicContact CD2-CB 4.42Å; L469-L503 HydrophobicContact CG-CD1 4.37Å; Y470-L503 HydrophobicContact CD1-CD1 3.46Å; Y470-L503 VanDerWaalsContact CD1-CD1 3.46Å; Y470-L503 HydrophobicContact CE1-CD1 3.39Å; Y470-L503 HydrophobicContact CE2-CD1 4.5Å; Y470-L503 HydrophobicContact CG-CD1 4.06Å; D499-L503 WeakPolarHBondContact O-CB 3.28Å; D499-L503 VanDerWaalsContact O-CG 3.29Å; D499-L503 WeakPolarHBondContact O-CG 3.23Å; D499-L503 PolarHBondContact O-N 2.88Å; F500-L503 WeakPolarHBondContact O-CB 3.2Å; F500-L503 PolarHBondContact O-N 3.07Å; F500-L503 VanDerWaalsContact O-N 3.16Å; N501-L503 VanDerWaalsContact C-N 3.33Å; L503-Q505 VanDerWaalsContact C-N 3.26Å; L503-Q505 PolarHBondContact O-N 3.03Å; L503-D506 PolarHBondContact O-N 3.45Å; L503-Y507 HydrophobicContact CB-CD2 4.4Å; L503-Y507 HydrophobicContact CB-CE2 4.42Å; L503-Y507 HydrophobicContact CD2-CE2 3.93Å; L503-Y507 WeakPolarHBondContact O-CB 3.36Å; L503-Y507 WeakPolarHBondContact O-CD2 3.4Å; L503-Y507 PolarHBondContact O-N 3.29Å
504I84Confident77Confident1 Ų146.5 Ų46.51%0.00524%0.242CC..Hα-helixtrans-57-42.4175.9-64.7-57.4000111L469 F488 F500 N501 G508 I509 R511 V514 F579L469-I504 HydrophobicContact CD2-CD1 4.28Å; F488-I504 HydrophobicContact CE2-CD1 4.02Å; F488-I504 HydrophobicContact CZ-CD1 4.25Å; F500-I504 HydrophobicContact CD1-CG1 4.36Å; F500-I504 HydrophobicContact CE1-CD1 4.44Å; F500-I504 HydrophobicContact CE1-CG1 4.01Å; F500-I504 HydrophobicContact CE2-CD1 4.42Å; F500-I504 HydrophobicContact CZ-CD1 4.06Å; F500-I504 HydrophobicContact CZ-CG1 4.11Å; F500-I504 WeakPolarHBondContact O-CG1 3.26Å; F500-I504 PolarHBondContact O-N 2.7Å; N501-I504 PolarHBondContact O-N 2.92Å; I504-G508 PolarHBondContact O-N 3.07Å; I504-I509 HydrophobicContact CD1-CD1 3.9Å; I504-I509 HydrophobicContact CG2-CB 4.11Å; I504-I509 HydrophobicContact CG2-CG2 4.44Å; I504-I509 PolarHBondContact O-N 3.07Å; I504-R511 HydrophobicContact CG2-CG 3.93Å; I504-V514 HydrophobicContact CD1-CG2 4.16Å; I504-V514 HydrophobicContact CG2-CG2 4.4Å; I504-F579 HydrophobicContact CG2-CE1 4.47Å
505Q82.5Confident78.4Confident79 Ų7944.4 Ų44.437%0.36923%0.232SC..Hα-helixtrans-67.8-48.4175.3-77.2172.1-2500112.8D307 N501 K502 L503 Y507 G508D307-Q505 PolarHBondContact OD2-NE2 2.96Å; N501-Q505 WeakPolarHBondContact O-CG 3.31Å; N501-Q505 PolarHBondContact O-N 3.12Å; K502-Q505 PolarHBondContact O-N 2.99Å; L503-Q505 VanDerWaalsContact C-N 3.26Å; L503-Q505 PolarHBondContact O-N 3.03Å; Q505-Y507 VanDerWaalsContact C-N 3.26Å; Q505-Y507 PolarHBondContact O-N 3.46Å; Q505-G508 PolarHBondContact O-N 3.28Å
506D81.8Confident79.4Confident87 Ų8744.4 Ų44.447%0.46523%0.232SC..Hα-helixtrans-58.1-38.8-179.8-75.6-4.4000111R472 K502 L503 G508R472-D506 IonicContact NH2-OD2 2.93Å; R472-D506 PolarHBondContact NH2-OD2 3.34Å; K502-D506 VanDerWaalsContact O-CB 3.28Å; K502-D506 WeakPolarHBondContact O-CB 3.29Å; K502-D506 PolarHBondContact O-N 3.39Å; L503-D506 PolarHBondContact O-N 3.45Å; D506-G508 VanDerWaalsContact C-N 3.29Å; D506-G508 PolarHBondContact O-N 2.84Å
507Y84.1Confident80.9Confident31 Ų3141.3 Ų41.312%0.12222%0.217CC..THydrogen-bonded Turntrans-80.5-4175.8-73.1-59.4000114.3L469 R472 W476 M477 L503 Q505 I509L469-Y507 HydrophobicContact CD1-CD2 3.95Å; L469-Y507 HydrophobicContact CD1-CE2 3.75Å; L469-Y507 HydrophobicContact CG-CE2 4.49Å; R472-Y507 VanDerWaalsContact CA-OH 3.25Å; R472-Y507 WeakPolarHBondContact CA-OH 3.24Å; R472-Y507 WeakPolarHBondContact CB-OH 3.29Å; R472-Y507 WeakPolarHBondContact CG-OH 3.46Å; W476-Y507 HydrophobicContact CB-CD1 4.13Å; W476-Y507 HydrophobicContact CB-CD2 4.28Å; W476-Y507 HydrophobicContact CB-CG 4.01Å; W476-Y507 AromaticContact CD1-CZ 4Å; M477-Y507 WeakPolarHBondContact CA-O 2.97Å; M477-Y507 WeakPolarHBondContact CB-O 3.42Å; M477-Y507 WeakPolarHBondContact CG-O 3.49Å; L503-Y507 HydrophobicContact CB-CD2 4.4Å; L503-Y507 HydrophobicContact CB-CE2 4.42Å; L503-Y507 HydrophobicContact CD2-CE2 3.93Å; L503-Y507 WeakPolarHBondContact O-CB 3.36Å; L503-Y507 WeakPolarHBondContact O-CD2 3.4Å; L503-Y507 PolarHBondContact O-N 3.29Å; Q505-Y507 VanDerWaalsContact C-N 3.26Å; Q505-Y507 PolarHBondContact O-N 3.46Å; Y507-I509 HydrophobicContact CD2-CD1 4.43Å; Y507-I509 HydrophobicContact CG-CD1 4.43Å; Y507-I509 PolarHBondContact O-N 3.08Å
508G83.6Confident82.4Confident56 Ų5639.8 Ų39.858%0.57720%0.204SC*.THydrogen-bonded Turntrans60.529.1-176.700000113.4I504 Q505 D506 D510I504-G508 PolarHBondContact O-N 3.07Å; Q505-G508 PolarHBondContact O-N 3.28Å; D506-G508 VanDerWaalsContact C-N 3.29Å; D506-G508 PolarHBondContact O-N 2.84Å; G508-D510 PolarHBondContact O-N 2.94Å
509I86.3Confident83.6Confident9 Ų934.9 Ų34.95%0.04618%0.178CC..  trans-74.3127.2179.5-63.3166.9000108.3W476 L486 F488 I504 Y507 R511 V514W476-I509 HydrophobicContact CB-CD1 3.92Å; L486-I509 HydrophobicContact CD1-CD1 4.25Å; L486-I509 HydrophobicContact CD1-CG1 4.35Å; L486-I509 HydrophobicContact CD1-CG2 3.69Å; F488-I509 HydrophobicContact CZ-CD1 4.4Å; I504-I509 HydrophobicContact CD1-CD1 3.9Å; I504-I509 HydrophobicContact CG2-CB 4.11Å; I504-I509 HydrophobicContact CG2-CG2 4.44Å; I504-I509 PolarHBondContact O-N 3.07Å; Y507-I509 HydrophobicContact CD2-CD1 4.43Å; Y507-I509 HydrophobicContact CG-CD1 4.43Å; Y507-I509 PolarHBondContact O-N 3.08Å; I509-R511 PolarHBondContact O-N 2.81Å; I509-V514 HydrophobicContact CG2-CG2 3.78Å
510D83.9Confident84.5Confident58 Ų5830.7 Ų30.731%0.3116%0.156SC..  trans-63.3112.8171.1-172.3-15.4000109.2G508 R512 K513G508-D510 PolarHBondContact O-N 2.94Å; D510-R512 PolarHBondContact O-N 3.06Å; D510-R512 VanDerWaalsContact OD1-CB 3.29Å; D510-R512 WeakPolarHBondContact OD1-CB 3.45Å; D510-R512 WeakPolarHBondContact OD1-CG 3.44Å; D510-R512 IonicContact OD1-CZ 3.13Å; D510-R512 PolarHBondContact OD1-N 3.24Å; D510-R512 IonicContact OD1-NE 3.95Å; D510-R512 PolarHBondContact OD1-NE 3.03Å; D510-R512 IonicContact OD1-NH2 2.69Å; D510-R512 IonicContact OD2-CZ 3.91Å; D510-R512 IonicContact OD2-NE 3.61Å; D510-R512 PolarHBondContact OD2-NE 3.33Å; D510-R512 IonicContact OD2-NH2 3.53Å; D510-R512 PolarHBondContact OD2-NH2 3Å; D510-K513 HydrophobicContact CB-CD 4.45Å; D510-K513 HydrophobicContact CB-CG 4.21Å; D510-K513 WeakPolarHBondContact O-CB 3.34Å; D510-K513 PolarHBondContact O-N 3.02Å
511R82.6Confident84.9Confident37 Ų3730.7 Ų30.714%0.1416%0.156CC..G310 helixtrans-50.7-33.5179.3-69.5-171.2167.1179.12.4112P305 I504 I509 K513 V514 K577 N578 F579 A580P305-R511 PolarHBondContact O-NH1 2.91Å; I504-R511 HydrophobicContact CG2-CG 3.93Å; I509-R511 PolarHBondContact O-N 2.81Å; R511-K513 PolarHBondContact O-N 3.38Å; R511-V514 WeakPolarHBondContact O-CB 3.32Å; R511-V514 PolarHBondContact O-N 3.42Å; R511-K577 WeakPolarHBondContact CD-O 3.41Å; R511-N578 CarbonylContact C-O 3.56Å; R511-F579 HydrophobicContact CB-CD1 3.91Å; R511-F579 HydrophobicContact CB-CE1 4.2Å; R511-F579 HydrophobicContact CG-CD1 4.23Å; R511-F579 HydrophobicContact CG-CE1 4Å; R511-F579 VanDerWaalsContact O-CA 3.29Å; R511-F579 WeakPolarHBondContact O-CA 3.09Å; R511-A580 PolarHBondContact O-N 3.17Å
512R79.8Confident85.2Confident85 Ų8531.2 Ų31.232%0.32116%0.159SC..G310 helixtrans-68.8-1.4179-60.4175.2-64.3176.53.2114.6T317 D510 A580T317-R512 HydrophobicContact CG2-CB 4.19Å; D510-R512 PolarHBondContact O-N 3.06Å; D510-R512 VanDerWaalsContact OD1-CB 3.29Å; D510-R512 WeakPolarHBondContact OD1-CB 3.45Å; D510-R512 WeakPolarHBondContact OD1-CG 3.44Å; D510-R512 IonicContact OD1-CZ 3.13Å; D510-R512 PolarHBondContact OD1-N 3.24Å; D510-R512 IonicContact OD1-NE 3.95Å; D510-R512 PolarHBondContact OD1-NE 3.03Å; D510-R512 IonicContact OD1-NH2 2.69Å; D510-R512 IonicContact OD2-CZ 3.91Å; D510-R512 IonicContact OD2-NE 3.61Å; D510-R512 PolarHBondContact OD2-NE 3.33Å; D510-R512 IonicContact OD2-NH2 3.53Å; D510-R512 PolarHBondContact OD2-NH2 3Å; R512-A580 WeakPolarHBondContact O-CB 3.31Å
513K88.4Confident84.9Confident47 Ų4726.8 Ų26.820%0.20414%0.142CC..G310 helixtrans-104.2-11.3170.7-61.5-169.7173.4-165.60113.2S480 A483 D484 F485 L486 D510 R511S480-K513 PolarHBondContact O-NZ 3.48Å; A483-K513 PolarHBondContact O-NZ 3.35Å; D484-K513 WeakPolarHBondContact O-CG 3.23Å; F485-K513 CarbonylContact C-O 3.57Å; F485-K513 VanDerWaalsContact CA-O 3.26Å; F485-K513 WeakPolarHBondContact CA-O 3.49Å; L486-K513 PolarHBondContact N-O 3.49Å; D510-K513 HydrophobicContact CB-CD 4.45Å; D510-K513 HydrophobicContact CB-CG 4.21Å; D510-K513 WeakPolarHBondContact O-CB 3.34Å; D510-K513 PolarHBondContact O-N 3.02Å; R511-K513 PolarHBondContact O-N 3.38Å
514V89Confident84.2Confident0 Ų029.7 Ų29.70%016%0.161CC..EExtended strand (participates in β ladder)trans-80.2129-172.5177.60000110L486 F488 I504 I509 R511 L516 F579 A580 G581L486-V514 CarbonylContact O-C 3.52Å; L486-V514 WeakPolarHBondContact O-CA 3.15Å; F488-V514 HydrophobicContact CD2-CG1 3.84Å; F488-V514 HydrophobicContact CE2-CG1 3.99Å; F488-V514 HydrophobicContact CE2-CG2 4.29Å; I504-V514 HydrophobicContact CD1-CG2 4.16Å; I504-V514 HydrophobicContact CG2-CG2 4.4Å; I509-V514 HydrophobicContact CG2-CG2 3.78Å; R511-V514 WeakPolarHBondContact O-CB 3.32Å; R511-V514 PolarHBondContact O-N 3.42Å; V514-L516 HydrophobicContact CG1-CD2 4.22Å; V514-F579 HydrophobicContact CB-CB 4.16Å; V514-F579 HydrophobicContact CB-CD1 3.64Å; V514-F579 HydrophobicContact CB-CE1 4.18Å; V514-F579 HydrophobicContact CB-CG 3.95Å; V514-F579 HydrophobicContact CG1-CB 4.32Å; V514-F579 HydrophobicContact CG1-CD1 3.78Å; V514-F579 HydrophobicContact CG1-CD2 4.1Å; V514-F579 HydrophobicContact CG1-CE1 4.04Å; V514-F579 HydrophobicContact CG1-CE2 4.36Å; V514-F579 HydrophobicContact CG1-CG 3.83Å; V514-F579 HydrophobicContact CG1-CZ 4.33Å; V514-F579 HydrophobicContact CG2-CD1 4.17Å; V514-F579 HydrophobicContact CG2-CE1 4.35Å; V514-F579 WeakPolarHBondContact O-CB 3.18Å; V514-A580 WeakPolarHBondContact O-CA 3.33Å; V514-A580 VanDerWaalsContact O-CB 3.23Å; V514-A580 WeakPolarHBondContact O-CB 3.48Å; V514-A580 PolarHBondContact O-N 3.12Å; V514-G581 PolarHBondContact O-N 3.04Å
515L90.9Very high83.2Confident0 Ų038.1 Ų38.10%020%0.198CC..EExtended strand (participates in β ladder)trans-113.9138.7169.4-59.1171000108.9V320 F322 F485 L486 N487 F488 A580 G581V320-L515 HydrophobicContact CB-CD2 3.67Å; V320-L515 HydrophobicContact CG1-CD1 4.21Å; V320-L515 HydrophobicContact CG1-CD2 3.55Å; F322-L515 HydrophobicContact CB-CD1 4.04Å; F322-L515 HydrophobicContact CD2-CD1 4.44Å; F322-L515 HydrophobicContact CG-CD1 4.33Å; F485-L515 HydrophobicContact CB-CD1 3.73Å; F485-L515 HydrophobicContact CB-CG 4.18Å; F485-L515 HydrophobicContact CD1-CG 4.47Å; F485-L515 HydrophobicContact CG-CD1 4.15Å; L486-L515 PolarHBondContact O-N 3.21Å; N487-L515 WeakPolarHBondContact CA-O 3.42Å; N487-L515 HydrophobicContact CB-CB 4.16Å; N487-L515 HydrophobicContact CB-CD1 4.47Å; F488-L515 PolarHBondContact N-O 3.07Å; L515-A580 HydrophobicContact CD2-CB 3.79Å; L515-A580 HydrophobicContact CG-CB 4.48Å; L515-G581 WeakPolarHBondContact CA-O 3.37Å
516L89.9Confident82.3Confident0 Ų038.6 Ų38.60%022%0.224CC..EExtended strand (participates in β ladder)trans-98.2121.3173.7-56.6-175.4000109.8M495 F500 V514 K570 L573 A574 F579 G581 V582 T583M495-L516 HydrophobicContact SD-CB 4.17Å; M495-L516 HydrophobicContact SD-CD1 4.48Å; M495-L516 HydrophobicContact SD-CD2 3.93Å; M495-L516 HydrophobicContact SD-CG 4.42Å; F500-L516 HydrophobicContact CE1-CD2 4.08Å; F500-L516 HydrophobicContact CZ-CD2 4.13Å; V514-L516 HydrophobicContact CG1-CD2 4.22Å; L516-K570 WeakPolarHBondContact CD1-O 3.36Å; L516-L573 HydrophobicContact CD1-CB 3.78Å; L516-L573 HydrophobicContact CD1-CD2 3.71Å; L516-L573 HydrophobicContact CD1-CG 3.86Å; L516-A574 HydrophobicContact CD1-CB 3.97Å; L516-A574 HydrophobicContact CG-CB 4.26Å; L516-F579 HydrophobicContact CD1-CD2 3.93Å; L516-F579 HydrophobicContact CD1-CE2 4.27Å; L516-F579 HydrophobicContact CD2-CD2 3.91Å; L516-F579 HydrophobicContact CD2-CE2 3.99Å; L516-F579 HydrophobicContact CG-CD2 3.96Å; L516-F579 HydrophobicContact CG-CE2 4.44Å; L516-G581 PolarHBondContact N-O 2.91Å; L516-V582 HydrophobicContact CB-CG1 4.5Å; L516-V582 CarbonylContact O-C 3.57Å; L516-V582 VanDerWaalsContact O-CA 3.23Å; L516-V582 WeakPolarHBondContact O-CA 3.43Å; L516-V582 WeakPolarHBondContact O-CB 3.47Å; L516-T583 PolarHBondContact O-N 3.11Å
517G90Very high81.5Confident0 Ų037.1 Ų37.10%022%0.218CC..EExtended strand (participates in β ladder)trans-73.5127.3-179.800000112.1N487 F488 K570N487-G517 PolarHBondContact OD1-N 2.88Å; F488-G517 PolarHBondContact O-N 2.04Å; G517-K570 WeakPolarHBondContact O-CD 3.38Å; G517-K570 WeakPolarHBondContact O-CE 3.43Å; G517-K570 PolarHBondContact O-NZ 3.44Å
518V90.1Very high80.6Confident0 Ų039.6 Ų39.60%023%0.233CC..EExtended strand (participates in β ladder)trans-112.5113.7171.3177.30000106.9D562 A567 K570 V582 T583 L584 S585 M604 T608V518-D562 VanDerWaalsContact CA-OD2 3.29Å; V518-D562 WeakPolarHBondContact CA-OD2 3.38Å; V518-D562 HydrophobicContact CG1-CB 4.08Å; V518-A567 HydrophobicContact CG1-CB 3.59Å; V518-A567 HydrophobicContact CG2-CB 4.44Å; V518-K570 HydrophobicContact CG2-CB 4.12Å; V518-K570 HydrophobicContact CG2-CD 3.98Å; V518-V582 HydrophobicContact CG2-CB 4.41Å; V518-T583 WeakPolarHBondContact CA-O 3.37Å; V518-T583 WeakPolarHBondContact CB-O 3.44Å; V518-T583 PolarHBondContact N-O 3.13Å; V518-L584 HydrophobicContact CB-CG 4.47Å; V518-L584 WeakPolarHBondContact O-CA 3.44Å; V518-S585 PolarHBondContact O-N 3.29Å; V518-M604 HydrophobicContact CG1-CE 3.61Å; V518-T608 HydrophobicContact CG1-CG2 4.46Å; V518-T608 HydrophobicContact CG2-CG2 4.16Å
519D88.1Confident79.7Confident26 Ų2637.9 Ų37.914%0.13921%0.212CC..EExtended strand (participates in β ladder)trans-99.8111.9-175.3-66.6-48.5000109.7K560 Y561 D562 S585D519-K560 WeakPolarHBondContact CB-O 3.16Å; D519-Y561 CarbonylContact O-C 3.59Å; D519-Y561 WeakPolarHBondContact O-CA 3.18Å; D519-D562 PolarHBondContact N-OD2 3.38Å; D519-D562 PolarHBondContact O-N 3.03Å; D519-S585 WeakPolarHBondContact OD1-CB 3Å; D519-S585 PolarHBondContact OD1-OG 2.8Å
520T88.2Confident78.6Confident0 Ų041.8 Ų41.80%023%0.226CC..  trans-70147.9-179.860.80000111.1V522 S585 N586 D590 M604T520-V522 WeakPolarHBondContact O-CG2 3.48Å; T520-V522 PolarHBondContact O-N 2.75Å; T520-S585 WeakPolarHBondContact CB-O 3.27Å; T520-S585 VanDerWaalsContact CG2-O 3.26Å; T520-S585 WeakPolarHBondContact CG2-O 3.42Å; T520-S585 PolarHBondContact N-O 2.74Å; T520-S585 PolarHBondContact OG1-O 2.73Å; T520-N586 WeakPolarHBondContact OG1-CB 3.32Å; T520-N586 PolarHBondContact OG1-O 3.14Å; T520-D590 HydrophobicContact CG2-CB 4.09Å; T520-M604 HydrophobicContact CG2-CB 4.01Å; T520-M604 HydrophobicContact CG2-CG 4.12Å
521P86.1Confident77.8Confident0 Ų043.2 Ų43.20%024%0.241CC..  trans-60.6119.1174-21.932.6000111.3R542 F543 Y561 S589P521-R542 HydrophobicContact CB-CB 3.7Å; P521-R542 HydrophobicContact CG-CB 3.95Å; P521-F543 HydrophobicContact CG-CD1 4.15Å; P521-F543 HydrophobicContact CG-CD2 4.36Å; P521-F543 HydrophobicContact CG-CE1 4.29Å; P521-F543 HydrophobicContact CG-CG 4.19Å; P521-F543 HydrophobicContact CG-CZ 4.47Å; P521-Y561 HydrophobicContact CB-CD2 4.36Å; P521-Y561 HydrophobicContact CB-CG 4.41Å; P521-Y561 HydrophobicContact CG-CD2 3.95Å; P521-Y561 HydrophobicContact CG-CG 4.36Å; P521-S589 WeakPolarHBondContact O-CB 3.29Å
522V79.8Confident77.3Confident18 Ų1844.6 Ų44.611%0.10925%0.251CS..  trans-105.2136.8180-1710000110.4T520 N586T520-V522 WeakPolarHBondContact O-CG2 3.48Å; T520-V522 PolarHBondContact O-N 2.75Å; V522-N586 HydrophobicContact CG2-CB 3.55Å; V522-N586 WeakPolarHBondContact CG2-ND2 3.22Å
523P72Confident77Confident21 Ų2145.5 Ų45.514%0.13627%0.268CS..PPolyproline II helixtrans-63.7148.1170.824.4-32.2000111.9R329 K525 V529 I539R329-P523 PolarHBondContact NH1-O 3.41Å; P523-K525 PolarHBondContact O-N 2.93Å; P523-V529 HydrophobicContact CB-CG2 3.48Å; P523-V529 VanDerWaalsContact CB-CG2 3.48Å; P523-V529 HydrophobicContact CG-CG2 3.69Å; P523-I539 HydrophobicContact CB-CD1 4.05Å; P523-I539 HydrophobicContact CB-CG1 4.21Å
524P67.5Low76.2Confident68 Ų6849.8 Ų49.844%0.44229%0.287SS..PPolyproline II helixtrans-52.5142.8172.9-21.631.4000111.1G526 V527P524-G526 PolarHBondContact O-N 3.28Å; P524-V527 HydrophobicContact CB-CG2 3.93Å; P524-V527 HydrophobicContact CG-CG2 4.27Å; P524-V527 PolarHBondContact O-N 3.18Å; P524-V527 VanDerWaalsContact O-N 3.12Å
525K63.5Low75.4Confident178 Ų17850.3 Ų50.377%0.77429%0.291SS*.THydrogen-bonded Turntrans-53.9129.5178.1-76.1-173.1176.1-175.70109.9P523P523-K525 PolarHBondContact O-N 2.93Å
526G63.6Low74.6Confident89 Ų8951.2 Ų51.292%0.91830%0.298SS*.THydrogen-bonded Turntrans89-1.517900000115.8P524P524-G526 PolarHBondContact O-N 3.28Å
527V64.2Low74Confident56 Ų5655 Ų5534%0.33932%0.316SS..  trans-94.2116.5175.7-1790000109.8P524 V529 A535P524-V527 HydrophobicContact CB-CG2 3.93Å; P524-V527 HydrophobicContact CG-CG2 4.27Å; P524-V527 PolarHBondContact O-N 3.18Å; P524-V527 VanDerWaalsContact O-N 3.12Å; V527-V529 PolarHBondContact O-N 2.89Å; V527-A535 HydrophobicContact CG1-CB 3.6Å
528D65.9Low73.4Confident83 Ų8359.6 Ų59.644%0.44434%0.337SS..  trans-84.6107.2169.7177.420.7000109.9Y530 S531 N532D528-Y530 PolarHBondContact O-N 3.45Å; D528-Y530 WeakPolarHBondContact OD1-CB 3.09Å; D528-Y530 WeakPolarHBondContact OD1-CD2 3.17Å; D528-Y530 PolarHBondContact OD1-N 2.76Å; D528-Y530 VanDerWaalsContact OD1-N 3.07Å; D528-S531 WeakPolarHBondContact CB-OG 3.05Å; D528-S531 PolarHBondContact O-N 3.34Å; D528-S531 PolarHBondContact O-OG 2.91Å; D528-S531 WeakPolarHBondContact OD2-CB 3.36Å; D528-S531 PolarHBondContact OD2-OG 2.02Å; D528-N532 PolarHBondContact O-N 3.43Å
529V65Low73Confident20 Ų2060.2 Ų60.212%0.12134%0.341CS..THydrogen-bonded Turntrans-66.3-27.5-178.5-171.80000111.2P523 V527 S531 A536 I539P523-V529 HydrophobicContact CB-CG2 3.48Å; P523-V529 VanDerWaalsContact CB-CG2 3.48Å; P523-V529 HydrophobicContact CG-CG2 3.69Å; V527-V529 PolarHBondContact O-N 2.89Å; V529-S531 PolarHBondContact O-N 3.43Å; V529-A536 HydrophobicContact CG1-CB 3.74Å; V529-I539 HydrophobicContact CG2-CG1 4.49Å
530Y62Low72.9Confident91 Ų9160.1 Ų60.136%0.35734%0.342SS..THydrogen-bonded Turntrans-74.4-27-176.4-65.2-88.3000113.1Y334 D528 A593Y334-Y530 HydrophobicContact CE1-CE1 4.21Å; Y334-Y530 HydrophobicContact CE1-CE2 4.31Å; Y334-Y530 AromaticContact CE1-CZ 3.64Å; Y334-Y530 WeakPolarHBondContact CE1-OH 3.38Å; Y334-Y530 AromaticContact CZ-CE2 3.98Å; Y334-Y530 AromaticContact CZ-CZ 3.71Å; Y334-Y530 WeakPolarHBondContact OH-CE2 3.18Å; Y334-Y530 PolarHBondContact OH-OH 3.41Å; D528-Y530 PolarHBondContact O-N 3.45Å; D528-Y530 WeakPolarHBondContact OD1-CB 3.09Å; D528-Y530 WeakPolarHBondContact OD1-CD2 3.17Å; D528-Y530 PolarHBondContact OD1-N 2.76Å; D528-Y530 VanDerWaalsContact OD1-N 3.07Å; Y530-A593 HydrophobicContact CE1-CB 4.28Å
531S66.8Low72.6Confident88 Ų8862.2 Ų62.262%0.61535%0.351SS*.THydrogen-bonded Turntrans-100.5-7.3179.252.30000113.4D528 V529D528-S531 WeakPolarHBondContact CB-OG 3.05Å; D528-S531 PolarHBondContact O-N 3.34Å; D528-S531 PolarHBondContact O-OG 2.91Å; D528-S531 WeakPolarHBondContact OD2-CB 3.36Å; D528-S531 PolarHBondContact OD2-OG 2.02Å; V529-S531 PolarHBondContact O-N 3.43Å
532N72.3Confident72.5Confident67 Ų6764.8 Ų64.836%0.35836%0.361SS..  trans-124.398.1-177.4-174-9.6000112.3D528 K534 A535 A536D528-N532 PolarHBondContact O-N 3.43Å; N532-K534 PolarHBondContact O-N 3.07Å; N532-K534 VanDerWaalsContact O-N 3.15Å; N532-K534 PolarHBondContact OD1-N 3.37Å; N532-A535 HydrophobicContact CB-CB 3.9Å; N532-A535 PolarHBondContact O-N 3.32Å; N532-A535 PolarHBondContact OD1-N 3.29Å; N532-A536 PolarHBondContact O-N 2.84Å
533P73.7Confident72.7Confident104 Ų10463.9 Ų63.968%0.67536%0.356SS*.Hα-helixtrans-55-35.1-179.2-2734.1000114.4A536 E537P533-A536 WeakPolarHBondContact O-CB 3.36Å; P533-A536 PolarHBondContact O-N 2.67Å; P533-E537 WeakPolarHBondContact O-CB 3.28Å; P533-E537 PolarHBondContact O-N 3.38Å
534K71.3Confident73Confident137 Ų13766.8 Ų66.860%0.59637%0.373SS*.Hα-helixtrans-70.1-37.2178-69.9-176.6178.6178.50112.3N532 A536 E538N532-K534 PolarHBondContact O-N 3.07Å; N532-K534 VanDerWaalsContact O-N 3.15Å; N532-K534 PolarHBondContact OD1-N 3.37Å; K534-A536 VanDerWaalsContact C-N 3.34Å; K534-E538 WeakPolarHBondContact O-CB 3.39Å; K534-E538 PolarHBondContact O-N 3.3Å
535A72.8Confident73Confident11 Ų1164.8 Ų64.89%0.09136%0.359CS..Hα-helixtrans-70.3-34.9175.900000111.2V527 N532 I539V527-A535 HydrophobicContact CG1-CB 3.6Å; N532-A535 HydrophobicContact CB-CB 3.9Å; N532-A535 PolarHBondContact O-N 3.32Å; N532-A535 PolarHBondContact OD1-N 3.29Å; A535-I539 WeakPolarHBondContact O-CB 3.38Å; A535-I539 WeakPolarHBondContact O-CG1 3.44Å; A535-I539 PolarHBondContact O-N 3.46Å
536A74.4Confident72.9Confident18 Ų1858.5 Ų58.515%0.14933%0.334CS..Hα-helixtrans-61.4-52.7171.900000111.3V529 N532 P533 K534 E538 I539 C540V529-A536 HydrophobicContact CG1-CB 3.74Å; N532-A536 PolarHBondContact O-N 2.84Å; P533-A536 WeakPolarHBondContact O-CB 3.36Å; P533-A536 PolarHBondContact O-N 2.67Å; K534-A536 VanDerWaalsContact C-N 3.34Å; A536-E538 PolarHBondContact O-N 3.24Å; A536-I539 PolarHBondContact O-N 3.14Å; A536-C540 WeakPolarHBondContact O-CB 3.5Å; A536-C540 PolarHBondContact O-N 2.82Å; A536-C540 PolarHBondContact O-SG 2.84Å
537E77.2Confident72.3Confident79 Ų7956.4 Ų56.437%0.36930%0.304SS..Hα-helixtrans-58.2-46.3177.6-177166.5-127.200112.5E252 P533 I539 C540 Q541E252-E537 WeakPolarHBondContact CG-OE1 3.21Å; E252-E537 VanDerWaalsContact OE1-OE1 3.1Å; P533-E537 WeakPolarHBondContact O-CB 3.28Å; P533-E537 PolarHBondContact O-N 3.38Å; E537-I539 VanDerWaalsContact C-N 3.35Å; E537-I539 PolarHBondContact O-N 3.29Å; E537-C540 PolarHBondContact O-N 3.49Å; E537-Q541 WeakPolarHBondContact O-CG 3.5Å; E537-Q541 PolarHBondContact O-N 2.87Å
538E77.4Confident71.6Confident97 Ų9757 Ų5745%0.45332%0.316SS..Hα-helixtrans-60.7-42.5177.1-171.4-174.516600112K534 A536 Q541 R542K534-E538 WeakPolarHBondContact O-CB 3.39Å; K534-E538 PolarHBondContact O-N 3.3Å; A536-E538 PolarHBondContact O-N 3.24Å; E538-Q541 PolarHBondContact O-N 2.68Å; E538-R542 WeakPolarHBondContact O-CG 3.06Å; E538-R542 PolarHBondContact O-N 2.75Å; E538-R542 IonicContact OE1-CZ 2.54Å; E538-R542 IonicContact OE1-NE 3.46Å; E538-R542 IonicContact OE1-NH2 3.71Å; E538-R542 PolarHBondContact OE1-NH2 3.19Å
539I81.5Confident70.8Confident13 Ų1356 Ų567%0.06731%0.312CS..Hα-helixtrans-65.6-42.6176.4-78.1-74.5000111.1P523 V529 A535 A536 E537 Q541 R542 F543P523-I539 HydrophobicContact CB-CD1 4.05Å; P523-I539 HydrophobicContact CB-CG1 4.21Å; V529-I539 HydrophobicContact CG2-CG1 4.49Å; A535-I539 WeakPolarHBondContact O-CB 3.38Å; A535-I539 WeakPolarHBondContact O-CG1 3.44Å; A535-I539 PolarHBondContact O-N 3.46Å; A536-I539 PolarHBondContact O-N 3.14Å; E537-I539 VanDerWaalsContact C-N 3.35Å; E537-I539 PolarHBondContact O-N 3.29Å; I539-Q541 VanDerWaalsContact C-N 3.34Å; I539-Q541 PolarHBondContact O-N 3.36Å; I539-R542 WeakPolarHBondContact O-CB 3.1Å; I539-R542 PolarHBondContact O-N 3.28Å; I539-R542 VanDerWaalsContact O-N 3.13Å; I539-F543 HydrophobicContact CG2-CE2 3.98Å; I539-F543 VanDerWaalsContact O-CD2 3.3Å; I539-F543 WeakPolarHBondContact O-CD2 3.27Å
540C86Confident69.7Low24 Ų2458 Ų5816%0.16232%0.318CS..Hα-helixtrans-62.5-39.8177.8-62.70000112.4A536 E537 R542 F543 C596A536-C540 WeakPolarHBondContact O-CB 3.5Å; A536-C540 PolarHBondContact O-N 2.82Å; A536-C540 PolarHBondContact O-SG 2.84Å; E537-C540 PolarHBondContact O-N 3.49Å; C540-R542 VanDerWaalsContact C-N 3.3Å; C540-R542 PolarHBondContact O-N 2.61Å; C540-F543 PolarHBondContact O-N 2.76Å; C540-C596 WeakPolarHBondContact CA-SG 3.32Å; C540-C596 HydrophobicContact CB-CB 3.57Å; C540-C596 WeakPolarHBondContact CB-SG 3.45Å; C540-C596 WeakPolarHBondContact SG-CA 3.27Å; C540-C596 WeakPolarHBondContact SG-CB 3.41Å; C540-C596 CovalentContact SG-SG 2.04Å; C540-C596 PolarHBondContact SG-SG 3.19Å
541Q81.4Confident68.5Low44 Ų4456.6 Ų56.621%0.20633%0.331CS..Hα-helixtrans-61.5-36.2173.8-72.3-170.7-6.300112.8E248 E537 E538 I539 F543 V544 V545E248-Q541 PolarHBondContact OE2-NE2 3.21Å; E248-Q541 PolarHBondContact OE2-OE1 2.65Å; E537-Q541 WeakPolarHBondContact O-CG 3.5Å; E537-Q541 PolarHBondContact O-N 2.87Å; E538-Q541 PolarHBondContact O-N 2.68Å; I539-Q541 VanDerWaalsContact C-N 3.34Å; I539-Q541 PolarHBondContact O-N 3.36Å; Q541-F543 PolarHBondContact O-N 3.3Å; Q541-V544 PolarHBondContact O-N 3.2Å; Q541-V545 PolarHBondContact O-N 3.46Å
542R84Confident67.1Low54 Ų5456.5 Ų56.520%0.20432%0.323CS..Hα-helixtrans-66.2-20.8-179.5-69.7172.9-175.2-164.32.1113.6P521 E538 I539 C540 V544 Y561P521-R542 HydrophobicContact CB-CB 3.7Å; P521-R542 HydrophobicContact CG-CB 3.95Å; E538-R542 WeakPolarHBondContact O-CG 3.06Å; E538-R542 PolarHBondContact O-N 2.75Å; E538-R542 IonicContact OE1-CZ 2.54Å; E538-R542 IonicContact OE1-NE 3.46Å; E538-R542 IonicContact OE1-NH2 3.71Å; E538-R542 PolarHBondContact OE1-NH2 3.19Å; I539-R542 WeakPolarHBondContact O-CB 3.1Å; I539-R542 PolarHBondContact O-N 3.28Å; I539-R542 VanDerWaalsContact O-N 3.13Å; C540-R542 VanDerWaalsContact C-N 3.3Å; C540-R542 PolarHBondContact O-N 2.61Å; R542-V544 VanDerWaalsContact C-N 3.27Å; R542-V544 PolarHBondContact O-N 2.86Å; R542-Y561 HydrophobicContact CB-CD2 4.3Å; R542-Y561 HydrophobicContact CB-CE2 3.75Å; R542-Y561 HydrophobicContact CG-CE1 4.4Å; R542-Y561 HydrophobicContact CG-CE2 4.15Å; R542-Y561 WeakPolarHBondContact O-CE2 3.46Å
543F83.8Confident65.3Low0 Ų062.2 Ų62.20%035%0.347CS..THydrogen-bonded Turntrans-70-23.6171.2-74.4-85.4000112.8P521 I539 C540 Q541 T563 I564 S589 D590 D591 L598 P603 M604P521-F543 HydrophobicContact CG-CD1 4.15Å; P521-F543 HydrophobicContact CG-CD2 4.36Å; P521-F543 HydrophobicContact CG-CE1 4.29Å; P521-F543 HydrophobicContact CG-CG 4.19Å; P521-F543 HydrophobicContact CG-CZ 4.47Å; I539-F543 HydrophobicContact CG2-CE2 3.98Å; I539-F543 VanDerWaalsContact O-CD2 3.3Å; I539-F543 WeakPolarHBondContact O-CD2 3.27Å; C540-F543 PolarHBondContact O-N 2.76Å; Q541-F543 PolarHBondContact O-N 3.3Å; F543-T563 CarbonylContact O-C 3.52Å; F543-T563 VanDerWaalsContact O-CA 3.27Å; F543-T563 WeakPolarHBondContact O-CA 3.35Å; F543-T563 WeakPolarHBondContact O-CB 3.44Å; F543-I564 HydrophobicContact CB-CD1 4.29Å; F543-I564 HydrophobicContact CB-CG1 4.43Å; F543-I564 PolarHBondContact O-N 3.26Å; F543-S589 WeakPolarHBondContact CZ-O 3.46Å; F543-D590 WeakPolarHBondContact CE1-OD1 3.45Å; F543-D591 HydrophobicContact CZ-CB 4.37Å; F543-L598 HydrophobicContact CB-CD1 3.48Å; F543-L598 VanDerWaalsContact CB-CD1 3.48Å; F543-L598 HydrophobicContact CD1-CD1 4.44Å; F543-L598 HydrophobicContact CD2-CD1 3.93Å; F543-L598 HydrophobicContact CG-CD1 3.72Å; F543-P603 HydrophobicContact CD1-CG 4.06Å; F543-P603 HydrophobicContact CE1-CG 3.92Å; F543-P603 HydrophobicContact CZ-CG 4.45Å; F543-M604 HydrophobicContact CD1-CG 3.6Å; F543-M604 HydrophobicContact CD1-SD 3.98Å; F543-M604 HydrophobicContact CE1-CG 3.52Å; F543-M604 HydrophobicContact CE1-SD 4.48Å
544V79.5Confident63.6Low82 Ų8261.9 Ų61.950%0.49734%0.337SS..THydrogen-bonded Turntrans-109.8-37.4-172-174.60000112.1Q541 R542 L598Q541-V544 PolarHBondContact O-N 3.2Å; R542-V544 VanDerWaalsContact C-N 3.27Å; R542-V544 PolarHBondContact O-N 2.86Å; V544-L598 HydrophobicContact CG2-CD2 3.65Å
545V67.7Low61.8Low25 Ų2559.7 Ų59.715%0.15233%0.331CS..SBendtrans-98.3123.6-171.5-176.80000111.2Q541 T563Q541-V545 PolarHBondContact O-N 3.46Å; V545-T563 VanDerWaalsContact O-CG2 3.29Å; V545-T563 WeakPolarHBondContact O-CG2 3.01Å
546D61.5Low60Low47 Ų4765.6 Ų65.625%0.25137%0.369SS..  trans-72.7130.3176.1-177.8-28.6000110.1A548 V549 T563D546-A548 PolarHBondContact O-N 2.88Å; D546-A548 WeakPolarHBondContact OD1-CB 3.3Å; D546-A548 PolarHBondContact OD1-N 2.75Å; D546-V549 HydrophobicContact CB-CG2 4.06Å; D546-V549 WeakPolarHBondContact O-CB 3.32Å; D546-V549 PolarHBondContact O-N 2.71Å; D546-T563 HydrophobicContact CB-CG2 4.22Å
547P49.3Very low58Low44 Ų4469.1 Ų69.129%0.28639%0.392SS..G310 helixtrans-55.1-21.3177.316.5-27.7000114.9V549 Y561P547-V549 VanDerWaalsContact C-N 3.31Å; P547-V549 PolarHBondContact O-N 2.78Å; P547-Y561 HydrophobicContact CB-CE1 4.48Å; P547-Y561 HydrophobicContact CG-CE1 4.23Å; P547-Y561 HydrophobicContact CG-CE2 4.17Å
548A49.5Very low56.2Low70 Ų7069 Ų6958%0.57940%0.397SS*.G310 helixtrans-72.8-19.6176.500000114.1D546 R550D546-A548 PolarHBondContact O-N 2.88Å; D546-A548 WeakPolarHBondContact OD1-CB 3.3Å; D546-A548 PolarHBondContact OD1-N 2.75Å; A548-R550 VanDerWaalsContact C-N 3.3Å; A548-R550 PolarHBondContact O-N 3.28Å
549V48.9Very low54.9Low61 Ų6167.9 Ų67.937%0.3740%0.4SS..G310 helixtrans-74.5-20.2-174.3178.30000112.3R276 D546 P547R276-V549 PolarHBondContact NH2-O 2.95Å; D546-V549 HydrophobicContact CB-CG2 4.06Å; D546-V549 WeakPolarHBondContact O-CB 3.32Å; D546-V549 PolarHBondContact O-N 2.71Å; P547-V549 VanDerWaalsContact C-N 3.31Å; P547-V549 PolarHBondContact O-N 2.78Å
550R43.2Very low54.3Low62 Ų6271.4 Ų71.423%0.23442%0.415CS..G310 helixtrans-93.1-4.6-177.8-73.8-167.8-178.6172.44.9116.1Q244 E248 A548 I552Q244-R550 VanDerWaalsContact NE2-NH2 3.18Å; E248-R550 IonicContact OE1-NH2 2.72Å; E248-R550 IonicContact OE2-NH2 3.98Å; A548-R550 VanDerWaalsContact C-N 3.3Å; A548-R550 PolarHBondContact O-N 3.28Å; R550-I552 HydrophobicContact CB-CD1 3.72Å; R550-I552 HydrophobicContact CB-CG1 3.85Å; R550-I552 HydrophobicContact CG-CD1 4.47Å; R550-I552 PolarHBondContact O-N 2.75Å
551G37.1Very low54Low62 Ų6272.6 Ų72.664%0.63942%0.416SS*.  trans59.513.6179.100000115.2Q553G551-Q553 PolarHBondContact O-N 3Å
552I36.8Very low54.1Low86 Ų8670.8 Ų70.844%0.44141%0.408SS..  trans-72.7122.3176-60.9168.5000106.8E241 R550 Q554E241-I552 WeakPolarHBondContact OE1-CD1 3.26Å; R550-I552 HydrophobicContact CB-CD1 3.72Å; R550-I552 HydrophobicContact CB-CG1 3.85Å; R550-I552 HydrophobicContact CG-CD1 4.47Å; R550-I552 PolarHBondContact O-N 2.75Å; I552-Q554 PolarHBondContact O-N 3.49Å
553Q34.7Very low54.2Low186 Ų18668.3 Ų68.387%0.86940%0.399SS*.  trans-51.4114.7167-89179.2-29.300107.8G551 D555G551-Q553 PolarHBondContact O-N 3Å; Q553-D555 PolarHBondContact O-N 2.8Å
554Q38.4Very low54.1Low98 Ų9869 Ų6946%0.45840%0.402SS..  trans-56.6116.2172.9-74.4-172.9-40.600107.3I552 P556I552-Q554 PolarHBondContact O-N 3.49Å; Q554-P556 WeakPolarHBondContact O-CD 3.43Å
555D33.1Very low53.7Low90 Ų9066 Ų6648%0.48138%0.384SS..  trans-55.5123153.5-179.5-22.1000105.2Q553 S557 T558Q553-D555 PolarHBondContact O-N 2.8Å; D555-S557 PolarHBondContact O-N 2.92Å; D555-S557 WeakPolarHBondContact OD1-CB 3.27Å; D555-S557 PolarHBondContact OD1-N 3.28Å; D555-S557 PolarHBondContact OD1-OG 2.63Å; D555-S557 PolarHBondContact OD2-OG 2.95Å; D555-S557 VanDerWaalsContact OD2-OG 3.1Å; D555-T558 HydrophobicContact CB-CG2 4.12Å; D555-T558 PolarHBondContact O-N 3.01Å; D555-T558 PolarHBondContact O-OG1 2.85Å
556P34.6Very low54.2Low136 Ų13665.3 Ų65.388%0.88338%0.38SS*.THydrogen-bonded Turntrans-55.9-10.9-179.219.7-30.5000113.5Q554Q554-P556 WeakPolarHBondContact O-CD 3.43Å
557S32Very low55.3Low91 Ų9163.1 Ų63.164%0.63637%0.369SS*.THydrogen-bonded Turntrans-91.3-6.2173.971.70000116D555 S559D555-S557 PolarHBondContact O-N 2.92Å; D555-S557 WeakPolarHBondContact OD1-CB 3.27Å; D555-S557 PolarHBondContact OD1-N 3.28Å; D555-S557 PolarHBondContact OD1-OG 2.63Å; D555-S557 PolarHBondContact OD2-OG 2.95Å; D555-S557 VanDerWaalsContact OD2-OG 3.1Å; S557-S559 PolarHBondContact O-N 2.81Å
558T40.8Very low56.7Low77 Ų7764 Ų6447%0.47237%0.366SS..SBendtrans-77.1112.7179.545.80000111.4D555 K560D555-T558 HydrophobicContact CB-CG2 4.12Å; D555-T558 PolarHBondContact O-N 3.01Å; D555-T558 PolarHBondContact O-OG1 2.85Å; T558-K560 PolarHBondContact O-N 2.75Å
559S50Low57.9Low74 Ų7461.4 Ų61.452%0.51734%0.342SS..  trans-40122.3177.5154.30000111.9S557 Y561S557-S559 PolarHBondContact O-N 2.81Å; S559-Y561 WeakPolarHBondContact O-CD1 3.32Å; S559-Y561 PolarHBondContact O-N 2.98Å
560K69Low59.5Low87 Ų8758.6 Ų58.638%0.37833%0.325SS..  trans-66.6109167.6-70.2175.4-178.7171.40106.8D467 D519 T558D467-K560 IonicContact OD2-NZ 2.75Å; D467-K560 PolarHBondContact OD2-NZ 3.06Å; D519-K560 WeakPolarHBondContact CB-O 3.16Å; T558-K560 PolarHBondContact O-N 2.75Å
561Y79Confident61.2Low48 Ų4855.6 Ų55.619%0.18831%0.314CS..  trans-113.4162.2171.861.8-92.4000110D519 P521 R542 P547 S559D519-Y561 CarbonylContact O-C 3.59Å; D519-Y561 WeakPolarHBondContact O-CA 3.18Å; P521-Y561 HydrophobicContact CB-CD2 4.36Å; P521-Y561 HydrophobicContact CB-CG 4.41Å; P521-Y561 HydrophobicContact CG-CD2 3.95Å; P521-Y561 HydrophobicContact CG-CG 4.36Å; R542-Y561 HydrophobicContact CB-CD2 4.3Å; R542-Y561 HydrophobicContact CB-CE2 3.75Å; R542-Y561 HydrophobicContact CG-CE1 4.4Å; R542-Y561 HydrophobicContact CG-CE2 4.15Å; R542-Y561 WeakPolarHBondContact O-CE2 3.46Å; P547-Y561 HydrophobicContact CB-CE1 4.48Å; P547-Y561 HydrophobicContact CG-CE1 4.23Å; P547-Y561 HydrophobicContact CG-CE2 4.17Å; S559-Y561 WeakPolarHBondContact O-CD1 3.32Å; S559-Y561 PolarHBondContact O-N 2.98Å
562D84.2Confident62.9Low7 Ų753.6 Ų53.64%0.03729%0.287CS..  trans-102148.1173.6-77.3-73.9000111.2V518 D519 T566 K570 M604V518-D562 VanDerWaalsContact CA-OD2 3.29Å; V518-D562 WeakPolarHBondContact CA-OD2 3.38Å; V518-D562 HydrophobicContact CG1-CB 4.08Å; D519-D562 PolarHBondContact N-OD2 3.38Å; D519-D562 PolarHBondContact O-N 3.03Å; D562-T566 VanDerWaalsContact CA-OG1 3.25Å; D562-T566 WeakPolarHBondContact CA-OG1 3.4Å; D562-T566 WeakPolarHBondContact CB-OG1 3.45Å; D562-T566 WeakPolarHBondContact OD1-CB 3.34Å; D562-T566 PolarHBondContact OD1-OG1 3.24Å; D562-K570 VanDerWaalsContact OD1-CE 3.27Å; D562-K570 WeakPolarHBondContact OD1-CE 3.43Å; D562-K570 IonicContact OD1-NZ 2.83Å; D562-K570 PolarHBondContact OD1-NZ 2.92Å; D562-K570 IonicContact OD2-NZ 3.67Å; D562-K570 PolarHBondContact OD2-NZ 2.74Å; D562-M604 HydrophobicContact CB-CE 3.7Å; D562-M604 WeakPolarHBondContact O-CE 3.43Å
563T84.9Confident64.7Low2 Ų249.5 Ų49.51%0.01227%0.266CS..  trans-88.5168.316466.40000109.8F543 V545 D546 T565 T566 A567F543-T563 CarbonylContact O-C 3.52Å; F543-T563 VanDerWaalsContact O-CA 3.27Å; F543-T563 WeakPolarHBondContact O-CA 3.35Å; F543-T563 WeakPolarHBondContact O-CB 3.44Å; V545-T563 VanDerWaalsContact O-CG2 3.29Å; V545-T563 WeakPolarHBondContact O-CG2 3.01Å; D546-T563 HydrophobicContact CB-CG2 4.22Å; T563-T565 PolarHBondContact O-N 2.98Å; T563-T565 PolarHBondContact OG1-N 2.88Å; T563-T566 PolarHBondContact N-OG1 3.02Å; T563-T566 PolarHBondContact O-N 2.85Å; T563-T566 VanDerWaalsContact O-N 3.14Å; T563-T566 PolarHBondContact O-OG1 2.86Å; T563-T566 PolarHBondContact OG1-N 3.5Å; T563-T566 VanDerWaalsContact OG1-N 3.15Å; T563-A567 VanDerWaalsContact O-CB 3.28Å; T563-A567 WeakPolarHBondContact O-CB 3.15Å; T563-A567 PolarHBondContact O-N 2.84Å
564I81.1Confident66.8Low13 Ų1340.7 Ų40.77%0.06723%0.225CC..Hα-helixtrans-51.2-38.5168.4-72.6170.4000110.3F543 R568 L598 P603 M604 T607F543-I564 HydrophobicContact CB-CD1 4.29Å; F543-I564 HydrophobicContact CB-CG1 4.43Å; F543-I564 PolarHBondContact O-N 3.26Å; I564-R568 WeakPolarHBondContact O-CB 3.39Å; I564-R568 PolarHBondContact O-N 2.81Å; I564-L598 HydrophobicContact CD1-CD1 4.19Å; I564-P603 HydrophobicContact CD1-CB 4.24Å; I564-M604 HydrophobicContact CG1-SD 3.94Å; I564-T607 HydrophobicContact CG2-CG2 3.98Å; I564-T607 WeakPolarHBondContact O-CG2 3.48Å
565T72.5Confident68.3Low19 Ų1936.3 Ų36.312%0.11720%0.204CC..Hα-helixtrans-68.4-46178.8-50.60000112T563 R568 Q569 E885T563-T565 PolarHBondContact O-N 2.98Å; T563-T565 PolarHBondContact OG1-N 2.88Å; T565-R568 WeakPolarHBondContact O-CB 3.47Å; T565-R568 PolarHBondContact O-N 3.14Å; T565-Q569 WeakPolarHBondContact O-CG 3.07Å; T565-Q569 PolarHBondContact O-N 3.34Å; T565-E885 WeakPolarHBondContact CG2-OE1 3.43Å
566T78.4Confident69.8Low12 Ų1232.3 Ų32.37%0.07418%0.183CC..Hα-helixtrans-73.3-34179.864.90000112.2D562 T563 Q569 K570D562-T566 VanDerWaalsContact CA-OG1 3.25Å; D562-T566 WeakPolarHBondContact CA-OG1 3.4Å; D562-T566 WeakPolarHBondContact CB-OG1 3.45Å; D562-T566 WeakPolarHBondContact OD1-CB 3.34Å; D562-T566 PolarHBondContact OD1-OG1 3.24Å; T563-T566 PolarHBondContact N-OG1 3.02Å; T563-T566 PolarHBondContact O-N 2.85Å; T563-T566 VanDerWaalsContact O-N 3.14Å; T563-T566 PolarHBondContact O-OG1 2.86Å; T563-T566 PolarHBondContact OG1-N 3.5Å; T563-T566 VanDerWaalsContact OG1-N 3.15Å; T566-Q569 PolarHBondContact O-N 2.99Å; T566-K570 WeakPolarHBondContact O-CB 3.31Å; T566-K570 WeakPolarHBondContact O-CG 3.38Å; T566-K570 PolarHBondContact O-N 3.13Å
567A84.2Confident71.6Confident0 Ų026.6 Ų26.60%014%0.144CC..Hα-helixtrans-62.2-45.2170.900000111.6V518 T563 Q569 K570 A571 M604 T607V518-A567 HydrophobicContact CG1-CB 3.59Å; V518-A567 HydrophobicContact CG2-CB 4.44Å; T563-A567 VanDerWaalsContact O-CB 3.28Å; T563-A567 WeakPolarHBondContact O-CB 3.15Å; T563-A567 PolarHBondContact O-N 2.84Å; A567-Q569 PolarHBondContact O-N 3.19Å; A567-K570 PolarHBondContact O-N 3.14Å; A567-A571 VanDerWaalsContact O-CB 3.3Å; A567-A571 WeakPolarHBondContact O-CB 3.14Å; A567-A571 PolarHBondContact O-N 3.4Å; A567-M604 HydrophobicContact CB-CE 3.53Å; A567-M604 HydrophobicContact CB-SD 3.98Å; A567-T607 HydrophobicContact CB-CG2 4.3Å
568R79.1Confident73.4Confident63 Ų6325 Ų2524%0.23813%0.128CC..Hα-helixtrans-54.6-53170.7165.1177.8-44134.42.7110.4I564 T565 K570 A571 R572 T607 N611I564-R568 WeakPolarHBondContact O-CB 3.39Å; I564-R568 PolarHBondContact O-N 2.81Å; T565-R568 WeakPolarHBondContact O-CB 3.47Å; T565-R568 PolarHBondContact O-N 3.14Å; R568-K570 VanDerWaalsContact C-N 3.32Å; R568-K570 PolarHBondContact O-N 3.42Å; R568-A571 PolarHBondContact O-N 2.94Å; R568-R572 HydrophobicContact CG-CG 4.45Å; R568-R572 WeakPolarHBondContact O-CB 3.14Å; R568-R572 VanDerWaalsContact O-CG 3.23Å; R568-R572 WeakPolarHBondContact O-CG 3.47Å; R568-R572 PolarHBondContact O-N 3.35Å; R568-T607 HydrophobicContact CB-CG2 3.91Å; R568-N611 HydrophobicContact CB-CB 4.24Å; R568-N611 HydrophobicContact CG-CB 4.11Å; R568-N611 WeakPolarHBondContact CG-OD1 3.29Å
569Q73.9Confident75.4Confident16 Ų1621.3 Ų21.38%0.07511%0.106CC..Hα-helixtrans-57.3-44.3179.6-73.3172.47.300111.9Q496 T565 T566 A567 R572 L573 L921 D922Q496-Q569 VanDerWaalsContact NE2-OE1 3.11Å; T565-Q569 WeakPolarHBondContact O-CG 3.07Å; T565-Q569 PolarHBondContact O-N 3.34Å; T566-Q569 PolarHBondContact O-N 2.99Å; A567-Q569 PolarHBondContact O-N 3.19Å; Q569-R572 PolarHBondContact O-N 3.03Å; Q569-L573 WeakPolarHBondContact O-CB 3.46Å; Q569-L573 PolarHBondContact O-N 3.16Å; Q569-L921 HydrophobicContact CB-CD1 4.19Å; Q569-L921 HydrophobicContact CG-CB 4.4Å; Q569-L921 HydrophobicContact CG-CD1 4.5Å; Q569-D922 PolarHBondContact NE2-OD1 3.03Å
570K83.1Confident76.9Confident1 Ų117.9 Ų17.90%0.0048%0.082CC..Hα-helixtrans-66.9-41.9177.8-75.2174.2175.3178.60113.2G490 A492 M495 L516 G517 V518 D562 T566 A567 R568 R572 L573 A574G490-K570 WeakPolarHBondContact O-CE 3.5Å; G490-K570 PolarHBondContact O-NZ 3.46Å; A492-K570 HydrophobicContact CB-CG 4.01Å; M495-K570 HydrophobicContact SD-CD 4.31Å; M495-K570 HydrophobicContact SD-CG 4.26Å; L516-K570 WeakPolarHBondContact CD1-O 3.36Å; G517-K570 WeakPolarHBondContact O-CD 3.38Å; G517-K570 WeakPolarHBondContact O-CE 3.43Å; G517-K570 PolarHBondContact O-NZ 3.44Å; V518-K570 HydrophobicContact CG2-CB 4.12Å; V518-K570 HydrophobicContact CG2-CD 3.98Å; D562-K570 VanDerWaalsContact OD1-CE 3.27Å; D562-K570 WeakPolarHBondContact OD1-CE 3.43Å; D562-K570 IonicContact OD1-NZ 2.83Å; D562-K570 PolarHBondContact OD1-NZ 2.92Å; D562-K570 IonicContact OD2-NZ 3.67Å; D562-K570 PolarHBondContact OD2-NZ 2.74Å; T566-K570 WeakPolarHBondContact O-CB 3.31Å; T566-K570 WeakPolarHBondContact O-CG 3.38Å; T566-K570 PolarHBondContact O-N 3.13Å; A567-K570 PolarHBondContact O-N 3.14Å; R568-K570 VanDerWaalsContact C-N 3.32Å; R568-K570 PolarHBondContact O-N 3.42Å; K570-R572 VanDerWaalsContact C-N 3.35Å; K570-L573 CarbonylContact O-C 3.5Å; K570-L573 WeakPolarHBondContact O-CA 3.28Å; K570-L573 VanDerWaalsContact O-CB 3.31Å; K570-L573 WeakPolarHBondContact O-CB 3.34Å; K570-L573 PolarHBondContact O-N 2.82Å; K570-A574 WeakPolarHBondContact O-CB 3.37Å; K570-A574 PolarHBondContact O-N 3.45Å
571A79.1Confident77.8Confident0 Ų013.8 Ų13.80%06%0.064CC..Hα-helixtrans-64.2-43.8176.700000110.8A567 R568 A574 T575 V582 T608 N611 Q612A567-A571 VanDerWaalsContact O-CB 3.3Å; A567-A571 WeakPolarHBondContact O-CB 3.14Å; A567-A571 PolarHBondContact O-N 3.4Å; R568-A571 PolarHBondContact O-N 2.94Å; A571-A574 PolarHBondContact O-N 3.38Å; A571-T575 PolarHBondContact O-N 3.3Å; A571-T575 PolarHBondContact O-OG1 3.45Å; A571-V582 HydrophobicContact CB-CG1 4.21Å; A571-T608 HydrophobicContact CB-CG2 4.32Å; A571-N611 CarbonylContact C-O 3.6Å; A571-N611 HydrophobicContact CB-CB 3.57Å; A571-Q612 HydrophobicContact CB-CB 4.13Å
572R71.3Confident78.3Confident19 Ų1911.5 Ų11.57%0.0726%0.055CC..Hα-helixtrans-55.3-56.4168.9-66.8-166177.8174.3-6.1108.4E300 G301 I302 R568 Q569 K570 A574 T575 M576 N611 L921 D922E300-R572 PolarHBondContact O-NH2 3.48Å; G301-R572 VanDerWaalsContact C-CG 3.49Å; G301-R572 VanDerWaalsContact C-NE 3.27Å; G301-R572 PolarHBondContact O-NE 3.38Å; I302-R572 VanDerWaalsContact N-CG 3.28Å; R568-R572 HydrophobicContact CG-CG 4.45Å; R568-R572 WeakPolarHBondContact O-CB 3.14Å; R568-R572 VanDerWaalsContact O-CG 3.23Å; R568-R572 WeakPolarHBondContact O-CG 3.47Å; R568-R572 PolarHBondContact O-N 3.35Å; Q569-R572 PolarHBondContact O-N 3.03Å; K570-R572 VanDerWaalsContact C-N 3.35Å; R572-A574 VanDerWaalsContact C-N 3.26Å; R572-A574 PolarHBondContact O-N 2.79Å; R572-T575 CarbonylContact O-C 3.41Å; R572-T575 WeakPolarHBondContact O-CB 3.41Å; R572-T575 PolarHBondContact O-N 3Å; R572-M576 HydrophobicContact CB-CG 4.1Å; R572-M576 WeakPolarHBondContact O-CA 3.37Å; R572-M576 WeakPolarHBondContact O-CB 2.83Å; R572-M576 WeakPolarHBondContact O-CG 3.34Å; R572-M576 PolarHBondContact O-N 2.92Å; R572-N611 WeakPolarHBondContact CA-O 3.44Å; R572-N611 HydrophobicContact CG-CB 4.09Å; R572-N611 PolarHBondContact N-O 2.94Å; R572-N611 PolarHBondContact NE-OD1 2.64Å; R572-N611 PolarHBondContact NH2-OD1 2.71Å; R572-L921 VanDerWaalsContact CD-O 3.22Å; R572-L921 WeakPolarHBondContact CD-O 3.49Å; R572-L921 PolarHBondContact NH1-O 2.84Å; R572-D922 VanDerWaalsContact NH1-C 3.31Å; R572-D922 PolarHBondContact NH1-O 3.34Å
573L75.6Confident78.7Confident1 Ų111.2 Ų11.21%0.0055%0.054CC..Hα-helixtrans-49.2-41.6179.9-163.174.4000113L304 M495 Q496 L516 Q569 K570 M576 K577 L921L304-L573 HydrophobicContact CD1-CD1 3.44Å; L304-L573 VanDerWaalsContact CD1-CD1 3.44Å; L304-L573 HydrophobicContact CD1-CG 3.68Å; L304-L573 WeakPolarHBondContact CD1-O 3.22Å; L304-L573 HydrophobicContact CD2-CD1 3.34Å; L304-L573 HydrophobicContact CD2-CG 4.35Å; L304-L573 HydrophobicContact CG-CD1 3.99Å; M495-L573 HydrophobicContact CB-CD2 3.47Å; M495-L573 VanDerWaalsContact CB-CD2 3.47Å; Q496-L573 HydrophobicContact CG-CD1 3.79Å; Q496-L573 HydrophobicContact CG-CD2 4.11Å; L516-L573 HydrophobicContact CD1-CB 3.78Å; L516-L573 HydrophobicContact CD1-CD2 3.71Å; L516-L573 HydrophobicContact CD1-CG 3.86Å; Q569-L573 WeakPolarHBondContact O-CB 3.46Å; Q569-L573 PolarHBondContact O-N 3.16Å; K570-L573 CarbonylContact O-C 3.5Å; K570-L573 WeakPolarHBondContact O-CA 3.28Å; K570-L573 VanDerWaalsContact O-CB 3.31Å; K570-L573 WeakPolarHBondContact O-CB 3.34Å; K570-L573 PolarHBondContact O-N 2.82Å; L573-M576 CarbonylContact O-C 3.54Å; L573-M576 VanDerWaalsContact O-CA 3.23Å; L573-M576 WeakPolarHBondContact O-CA 3.4Å; L573-M576 VanDerWaalsContact O-CB 3.3Å; L573-M576 WeakPolarHBondContact O-CB 3.38Å; L573-M576 PolarHBondContact O-N 3.06Å; L573-M576 VanDerWaalsContact O-N 3.12Å; L573-K577 PolarHBondContact O-N 3.26Å; L573-L921 HydrophobicContact CD1-CD1 4.08Å
574A77.5Confident79Confident0 Ų011.1 Ų11.10%05%0.054CC..Hα-helixtrans-67.1-55.1-178.700000111.9L516 K570 A571 R572 M576 K577 F579 G581 V582L516-A574 HydrophobicContact CD1-CB 3.97Å; L516-A574 HydrophobicContact CG-CB 4.26Å; K570-A574 WeakPolarHBondContact O-CB 3.37Å; K570-A574 PolarHBondContact O-N 3.45Å; A571-A574 PolarHBondContact O-N 3.38Å; R572-A574 VanDerWaalsContact C-N 3.26Å; R572-A574 PolarHBondContact O-N 2.79Å; A574-M576 PolarHBondContact O-N 3.33Å; A574-M576 VanDerWaalsContact O-N 3.15Å; A574-K577 PolarHBondContact O-N 2.92Å; A574-F579 HydrophobicContact CB-CB 4.41Å; A574-F579 WeakPolarHBondContact O-CB 3.4Å; A574-F579 PolarHBondContact O-N 3.39Å; A574-G581 WeakPolarHBondContact CB-O 3.26Å; A574-V582 HydrophobicContact CB-CG1 3.72Å
575T70Confident79.3Confident6 Ų611.4 Ų11.44%0.0376%0.057CC..Hα-helixtrans-53.2-38.1169.4-53.10000109.5I302 A303 A571 R572 N578 Q612 L613 W952I302-T575 HydrophobicContact CB-CG2 4.48Å; I302-T575 HydrophobicContact CG2-CG2 3.3Å; A303-T575 VanDerWaalsContact CB-C 3.46Å; A303-T575 HydrophobicContact CB-CG2 4.05Å; A303-T575 VanDerWaalsContact CB-O 3.27Å; A303-T575 WeakPolarHBondContact CB-O 3.5Å; A571-T575 PolarHBondContact O-N 3.3Å; A571-T575 PolarHBondContact O-OG1 3.45Å; R572-T575 CarbonylContact O-C 3.41Å; R572-T575 WeakPolarHBondContact O-CB 3.41Å; R572-T575 PolarHBondContact O-N 3Å; T575-N578 PolarHBondContact O-N 2.87Å; T575-Q612 VanDerWaalsContact OG1-CA 3.29Å; T575-Q612 WeakPolarHBondContact OG1-CA 3.18Å; T575-L613 HydrophobicContact CG2-CB 3.83Å; T575-L613 PolarHBondContact OG1-N 2.85Å; T575-W952 WeakPolarHBondContact CG2-O 3.12Å
576M64.8Low79.9Confident7 Ų712.1 Ų12.13%0.0346%0.06CC..Hα-helixtrans-53.2-64.8-178.3-59.2-108.2-36.500111.3I302 A303 L304 R572 L573 A574 N578 I919 L921 L945I302-M576 VanDerWaalsContact C-SD 3.56Å; I302-M576 WeakPolarHBondContact O-CG 3.32Å; A303-M576 WeakPolarHBondContact CA-SD 3.36Å; A303-M576 HydrophobicContact CB-CB 3.95Å; A303-M576 HydrophobicContact CB-CG 4.32Å; A303-M576 VanDerWaalsContact N-CG 3.27Å; A303-M576 WeakPolarHBondContact O-CE 3.4Å; L304-M576 CarbonylContact C-O 3.57Å; L304-M576 WeakPolarHBondContact CA-O 3.29Å; L304-M576 VanDerWaalsContact CB-CA 3.44Å; L304-M576 HydrophobicContact CB-CB 3.33Å; L304-M576 HydrophobicContact CB-CE 4.3Å; L304-M576 HydrophobicContact CB-CG 4.5Å; L304-M576 WeakPolarHBondContact CB-O 3.44Å; L304-M576 HydrophobicContact CD1-CB 3.95Å; L304-M576 HydrophobicContact CD2-CB 3.48Å; L304-M576 VanDerWaalsContact CD2-CB 3.48Å; L304-M576 HydrophobicContact CD2-CE 3.55Å; L304-M576 HydrophobicContact CD2-CG 4.07Å; L304-M576 HydrophobicContact CD2-SD 4.46Å; L304-M576 VanDerWaalsContact CG-CA 3.47Å; L304-M576 HydrophobicContact CG-CB 3Å; L304-M576 HydrophobicContact CG-CE 4.36Å; L304-M576 HydrophobicContact CG-CG 4.13Å; L304-M576 PolarHBondContact N-O 3.03Å; R572-M576 HydrophobicContact CB-CG 4.1Å; R572-M576 WeakPolarHBondContact O-CA 3.37Å; R572-M576 WeakPolarHBondContact O-CB 2.83Å; R572-M576 WeakPolarHBondContact O-CG 3.34Å; R572-M576 PolarHBondContact O-N 2.92Å; L573-M576 CarbonylContact O-C 3.54Å; L573-M576 VanDerWaalsContact O-CA 3.23Å; L573-M576 WeakPolarHBondContact O-CA 3.4Å; L573-M576 VanDerWaalsContact O-CB 3.3Å; L573-M576 WeakPolarHBondContact O-CB 3.38Å; L573-M576 PolarHBondContact O-N 3.06Å; L573-M576 VanDerWaalsContact O-N 3.12Å; A574-M576 PolarHBondContact O-N 3.33Å; A574-M576 VanDerWaalsContact O-N 3.15Å; M576-N578 PolarHBondContact O-N 2.76Å; M576-N578 VanDerWaalsContact O-N 3.08Å; M576-I919 HydrophobicContact CE-CB 4.18Å; M576-I919 HydrophobicContact CE-CD1 3.82Å; M576-I919 HydrophobicContact CE-CG2 3.82Å; M576-L921 HydrophobicContact CE-CD2 3.15Å; M576-L921 HydrophobicContact CG-CD2 3.93Å; M576-L921 HydrophobicContact SD-CD2 3.14Å; M576-L921 WeakPolarHBondContact SD-CD2 3.34Å; M576-L945 HydrophobicContact SD-CD1 3.82Å
577K72Confident80.2Confident15 Ų1511.6 Ų11.67%0.0656%0.056CC..Hα-helixtrans-80.67.3-173.3-100.4-9.4130.61500112.7L304 P305 N501 R511 L573 A574 F579L304-K577 HydrophobicContact CB-CB 4.12Å; L304-K577 HydrophobicContact CB-CD 3.31Å; L304-K577 HydrophobicContact CB-CG 3.96Å; L304-K577 HydrophobicContact CD1-CB 3.2Å; L304-K577 HydrophobicContact CD1-CD 3.27Å; L304-K577 HydrophobicContact CD1-CG 2.93Å; L304-K577 HydrophobicContact CD2-CD 4.35Å; L304-K577 HydrophobicContact CG-CB 3.88Å; L304-K577 HydrophobicContact CG-CD 3.47Å; L304-K577 VanDerWaalsContact CG-CD 3.47Å; L304-K577 HydrophobicContact CG-CG 3.68Å; P305-K577 WeakPolarHBondContact O-CD 3.45Å; N501-K577 WeakPolarHBondContact ND2-CE 3.3Å; N501-K577 PolarHBondContact ND2-NZ 3.44Å; N501-K577 VanDerWaalsContact OD1-CD 3.31Å; N501-K577 WeakPolarHBondContact OD1-CD 3.46Å; N501-K577 WeakPolarHBondContact OD1-CE 3.03Å; N501-K577 WeakPolarHBondContact OD1-CG 3.31Å; R511-K577 WeakPolarHBondContact CD-O 3.41Å; L573-K577 PolarHBondContact O-N 3.26Å; A574-K577 PolarHBondContact O-N 2.92Å; K577-F579 HydrophobicContact CB-CD1 3.68Å; K577-F579 HydrophobicContact CB-CD2 3.82Å; K577-F579 HydrophobicContact CB-CE1 3.43Å; K577-F579 VanDerWaalsContact CB-CE1 3.43Å; K577-F579 HydrophobicContact CB-CE2 3.57Å; K577-F579 HydrophobicContact CB-CG 3.87Å; K577-F579 HydrophobicContact CB-CZ 3.36Å; K577-F579 HydrophobicContact CG-CE1 3.87Å; K577-F579 HydrophobicContact CG-CE2 3.92Å; K577-F579 HydrophobicContact CG-CZ 3.47Å; K577-F579 VanDerWaalsContact CG-CZ 3.47Å
578N71.4Confident80.1Confident57 Ų5712.1 Ų12.131%0.3056%0.059SC..THydrogen-bonded Turntrans58.244.6-164-175.347.4000110R511 T575 M576 W952R511-N578 CarbonylContact C-O 3.56Å; T575-N578 PolarHBondContact O-N 2.87Å; M576-N578 PolarHBondContact O-N 2.76Å; M576-N578 VanDerWaalsContact O-N 3.08Å; N578-W952 VanDerWaalsContact OD1-CD1 3.24Å; N578-W952 PolarHBondContact OD1-NE1 3.27Å
579F81.1Confident80.3Confident1 Ų110 Ų100%0.0045%0.053CC..  trans-76.4160.5166.9-63.8-32.9000110.1L304 F500 I504 R511 V514 L516 A574 K577 G581L304-F579 HydrophobicContact CD1-CE2 4.27Å; F500-F579 HydrophobicContact CD1-CE2 4.45Å; F500-F579 HydrophobicContact CD1-CZ 4.25Å; F500-F579 AromaticContact CE1-CE2 3.79Å; F500-F579 HydrophobicContact CE1-CE2 3.79Å; F500-F579 AromaticContact CE1-CZ 3.7Å; F500-F579 HydrophobicContact CE1-CZ 3.7Å; I504-F579 HydrophobicContact CG2-CE1 4.47Å; R511-F579 HydrophobicContact CB-CD1 3.91Å; R511-F579 HydrophobicContact CB-CE1 4.2Å; R511-F579 HydrophobicContact CG-CD1 4.23Å; R511-F579 HydrophobicContact CG-CE1 4Å; R511-F579 VanDerWaalsContact O-CA 3.29Å; R511-F579 WeakPolarHBondContact O-CA 3.09Å; V514-F579 HydrophobicContact CB-CB 4.16Å; V514-F579 HydrophobicContact CB-CD1 3.64Å; V514-F579 HydrophobicContact CB-CE1 4.18Å; V514-F579 HydrophobicContact CB-CG 3.95Å; V514-F579 HydrophobicContact CG1-CB 4.32Å; V514-F579 HydrophobicContact CG1-CD1 3.78Å; V514-F579 HydrophobicContact CG1-CD2 4.1Å; V514-F579 HydrophobicContact CG1-CE1 4.04Å; V514-F579 HydrophobicContact CG1-CE2 4.36Å; V514-F579 HydrophobicContact CG1-CG 3.83Å; V514-F579 HydrophobicContact CG1-CZ 4.33Å; V514-F579 HydrophobicContact CG2-CD1 4.17Å; V514-F579 HydrophobicContact CG2-CE1 4.35Å; V514-F579 WeakPolarHBondContact O-CB 3.18Å; L516-F579 HydrophobicContact CD1-CD2 3.93Å; L516-F579 HydrophobicContact CD1-CE2 4.27Å; L516-F579 HydrophobicContact CD2-CD2 3.91Å; L516-F579 HydrophobicContact CD2-CE2 3.99Å; L516-F579 HydrophobicContact CG-CD2 3.96Å; L516-F579 HydrophobicContact CG-CE2 4.44Å; A574-F579 HydrophobicContact CB-CB 4.41Å; A574-F579 WeakPolarHBondContact O-CB 3.4Å; A574-F579 PolarHBondContact O-N 3.39Å; K577-F579 HydrophobicContact CB-CD1 3.68Å; K577-F579 HydrophobicContact CB-CD2 3.82Å; K577-F579 HydrophobicContact CB-CE1 3.43Å; K577-F579 VanDerWaalsContact CB-CE1 3.43Å; K577-F579 HydrophobicContact CB-CE2 3.57Å; K577-F579 HydrophobicContact CB-CG 3.87Å; K577-F579 HydrophobicContact CB-CZ 3.36Å; K577-F579 HydrophobicContact CG-CE1 3.87Å; K577-F579 HydrophobicContact CG-CE2 3.92Å; K577-F579 HydrophobicContact CG-CZ 3.47Å; K577-F579 VanDerWaalsContact CG-CZ 3.47Å; F579-G581 PolarHBondContact O-N 3.45Å
580A83.5Confident81Confident1 Ų19.2 Ų9.21%0.0085%0.05CC..SBendtrans-59.4-35.8-179.900000112V320 F485 R511 R512 V514 L515V320-A580 HydrophobicContact CG2-CB 4.32Å; V320-A580 PolarHBondContact N-O 3.37Å; F485-A580 HydrophobicContact CD1-CB 3.84Å; F485-A580 HydrophobicContact CE1-CB 3.84Å; R511-A580 PolarHBondContact O-N 3.17Å; R512-A580 WeakPolarHBondContact O-CB 3.31Å; V514-A580 WeakPolarHBondContact O-CA 3.33Å; V514-A580 VanDerWaalsContact O-CB 3.23Å; V514-A580 WeakPolarHBondContact O-CB 3.48Å; V514-A580 PolarHBondContact O-N 3.12Å; L515-A580 HydrophobicContact CD2-CB 3.79Å; L515-A580 HydrophobicContact CG-CB 4.48Å
581G87.1Confident81Confident1 Ų19.6 Ų9.61%0.015%0.052CC..EExtended strand (participates in β ladder)trans155.8-144.7178.900000115.3V320 V514 L515 L516 A574 F579V320-G581 WeakPolarHBondContact O-CA 3.26Å; V514-G581 PolarHBondContact O-N 3.04Å; L515-G581 WeakPolarHBondContact CA-O 3.37Å; L516-G581 PolarHBondContact N-O 2.91Å; A574-G581 WeakPolarHBondContact CB-O 3.26Å; F579-G581 PolarHBondContact O-N 3.45Å
582V90.5Very high81.1Confident0 Ų09.9 Ų9.90%05%0.054CC..EExtended strand (participates in β ladder)trans-125.9154.7-179.2-560000111.6V320 F322 L516 V518 A571 A574 L584 T608 Q612V320-V582 PolarHBondContact O-N 2.85Å; V320-V582 VanDerWaalsContact O-N 3.15Å; F322-V582 PolarHBondContact N-O 2.71Å; L516-V582 HydrophobicContact CB-CG1 4.5Å; L516-V582 CarbonylContact O-C 3.57Å; L516-V582 VanDerWaalsContact O-CA 3.23Å; L516-V582 WeakPolarHBondContact O-CA 3.43Å; L516-V582 WeakPolarHBondContact O-CB 3.47Å; V518-V582 HydrophobicContact CG2-CB 4.41Å; A571-V582 HydrophobicContact CB-CG1 4.21Å; A574-V582 HydrophobicContact CB-CG1 3.72Å; V582-L584 HydrophobicContact CG2-CD1 3.97Å; V582-T608 HydrophobicContact CG2-CG2 4.06Å; V582-Q612 VanDerWaalsContact CG2-OE1 3.25Å
583T91.5Very high81.3Confident2 Ų211.3 Ų11.31%0.0127%0.07CC..EExtended strand (participates in β ladder)trans-108.9132.6169.3-580000108.5F322 N487 L516 V518F322-T583 HydrophobicContact CB-CG2 4.41Å; F322-T583 HydrophobicContact CD1-CG2 3.72Å; F322-T583 HydrophobicContact CG-CG2 4.48Å; F322-T583 CarbonylContact O-C 3.51Å; F322-T583 WeakPolarHBondContact O-CA 3.08Å; F322-T583 WeakPolarHBondContact O-CG2 3.49Å; N487-T583 WeakPolarHBondContact OD1-CB 3.21Å; N487-T583 PolarHBondContact OD1-OG1 2.87Å; L516-T583 PolarHBondContact O-N 3.11Å; V518-T583 WeakPolarHBondContact CA-O 3.37Å; V518-T583 WeakPolarHBondContact CB-O 3.44Å; V518-T583 PolarHBondContact N-O 3.13Å
584L90.6Very high81.5Confident0 Ų012.4 Ų12.40%08%0.082CC..EExtended strand (participates in β ladder)trans-106.4114.6169.8-69.597.3000109.2F322 C323 S324 V518 V582 M604 L605 T608F322-L584 PolarHBondContact O-N 2.82Å; C323-L584 CarbonylContact C-O 3.36Å; S324-L584 PolarHBondContact N-O 3.13Å; V518-L584 HydrophobicContact CB-CG 4.47Å; V518-L584 WeakPolarHBondContact O-CA 3.44Å; V582-L584 HydrophobicContact CG2-CD1 3.97Å; L584-M604 HydrophobicContact CD2-CB 4.16Å; L584-L605 HydrophobicContact CD1-CD1 4.26Å; L584-L605 VanDerWaalsContact CD2-CA 3.47Å; L584-L605 HydrophobicContact CD2-CB 4.19Å; L584-L605 HydrophobicContact CD2-CD1 4.38Å; L584-T608 HydrophobicContact CD1-CG2 4.15Å; L584-T608 WeakPolarHBondContact CD1-OG1 2.92Å; L584-T608 HydrophobicContact CD2-CG2 3.95Å; L584-T608 HydrophobicContact CG-CG2 4.13Å
585S88.1Confident81.6Confident19 Ų1916.6 Ų16.613%0.13310%0.101CC..EExtended strand (participates in β ladder)trans-87.5144.6176.8-49.80000111V518 D519 T520V518-S585 PolarHBondContact O-N 3.29Å; D519-S585 WeakPolarHBondContact OD1-CB 3Å; D519-S585 PolarHBondContact OD1-OG 2.8Å; T520-S585 WeakPolarHBondContact CB-O 3.27Å; T520-S585 VanDerWaalsContact CG2-O 3.26Å; T520-S585 WeakPolarHBondContact CG2-O 3.42Å; T520-S585 PolarHBondContact N-O 2.74Å; T520-S585 PolarHBondContact OG1-O 2.73Å
586N84.2Confident82.1Confident34 Ų3417 Ų1718%0.18210%0.104CC..  trans59.345.5174.4-37.1-58.9000113.8S324 T520 V522 E588 S589S324-N586 PolarHBondContact O-N 3.27Å; T520-N586 WeakPolarHBondContact OG1-CB 3.32Å; T520-N586 PolarHBondContact OG1-O 3.14Å; V522-N586 HydrophobicContact CG2-CB 3.55Å; V522-N586 WeakPolarHBondContact CG2-ND2 3.22Å; N586-E588 WeakPolarHBondContact CA-OE1 3.45Å; N586-E588 WeakPolarHBondContact CA-OE2 3.39Å; N586-E588 WeakPolarHBondContact CB-OE1 3.41Å; N586-E588 PolarHBondContact O-N 3.4Å; N586-S589 WeakPolarHBondContact O-CA 3.21Å; N586-S589 WeakPolarHBondContact O-CB 3.31Å; N586-S589 PolarHBondContact O-N 3.25Å
587L86.6Confident82.6Confident0 Ų021.4 Ų21.40%013%0.128CC..G310 helixtrans-57.5-22.6-175.5-174.564.9000113.5C323 S324 I325 I339 S589 D590 F602 L605C323-L587 HydrophobicContact CB-CD2 3.76Å; S324-L587 PolarHBondContact O-N 2.76Å; I325-L587 HydrophobicContact CG1-CB 3.94Å; I339-L587 HydrophobicContact CB-CD2 4.35Å; I339-L587 HydrophobicContact CD1-CD2 3.75Å; I339-L587 HydrophobicContact CD1-CG 4.23Å; I339-L587 HydrophobicContact CG1-CD2 3.69Å; I339-L587 HydrophobicContact CG2-CD2 3.91Å; L587-S589 PolarHBondContact O-N 2.9Å; L587-D590 HydrophobicContact CD1-CB 3.91Å; L587-D590 VanDerWaalsContact O-CB 3.32Å; L587-D590 WeakPolarHBondContact O-CB 3.39Å; L587-D590 PolarHBondContact O-N 2.85Å; L587-D590 VanDerWaalsContact O-N 3.16Å; L587-F602 HydrophobicContact CD1-CD1 3.82Å; L587-F602 HydrophobicContact CD1-CE1 4.39Å; L587-F602 HydrophobicContact CG-CD1 4.1Å; L587-F602 HydrophobicContact CG-CE1 4.16Å; L587-L605 HydrophobicContact CD1-CB 3.93Å; L587-L605 HydrophobicContact CD1-CD2 4.25Å; L587-L605 HydrophobicContact CD2-CD2 4.43Å
588E81.1Confident82.5Confident12 Ų1221.9 Ų21.96%0.05613%0.131CC..G310 helixtrans-65.5-18.3171.773.8-67.9161.600114.5I325 D326 R329 V330 N586I325-E588 VanDerWaalsContact CA-OE2 3.25Å; I325-E588 WeakPolarHBondContact CA-OE2 3.48Å; I325-E588 HydrophobicContact CG2-CB 4.34Å; D326-E588 PolarHBondContact N-OE2 2.87Å; R329-E588 HydrophobicContact CB-CG 3.73Å; V330-E588 HydrophobicContact CG2-CB 4.1Å; N586-E588 WeakPolarHBondContact CA-OE1 3.45Å; N586-E588 WeakPolarHBondContact CA-OE2 3.39Å; N586-E588 WeakPolarHBondContact CB-OE1 3.41Å; N586-E588 PolarHBondContact O-N 3.4Å
589S84.3Confident82Confident17 Ų1719.9 Ų19.912%0.11912%0.124CC..G310 helixtrans-94.9-3.4175.4-550000112.7P521 F543 N586 L587 D591P521-S589 WeakPolarHBondContact O-CB 3.29Å; F543-S589 WeakPolarHBondContact CZ-O 3.46Å; N586-S589 WeakPolarHBondContact O-CA 3.21Å; N586-S589 WeakPolarHBondContact O-CB 3.31Å; N586-S589 PolarHBondContact O-N 3.25Å; L587-S589 PolarHBondContact O-N 2.9Å; S589-D591 PolarHBondContact O-N 3.42Å
590D86.9Confident81.3Confident0 Ų021 Ų210%013%0.132CC..SBendtrans-80.350.7-179.9-169.726.3000111.8T520 F543 L587 P592 F602 P603 M604 L605T520-D590 HydrophobicContact CG2-CB 4.09Å; F543-D590 WeakPolarHBondContact CE1-OD1 3.45Å; L587-D590 HydrophobicContact CD1-CB 3.91Å; L587-D590 VanDerWaalsContact O-CB 3.32Å; L587-D590 WeakPolarHBondContact O-CB 3.39Å; L587-D590 PolarHBondContact O-N 2.85Å; L587-D590 VanDerWaalsContact O-N 3.16Å; D590-P592 VanDerWaalsContact O-N 3.13Å; D590-F602 HydrophobicContact CB-CD1 4.12Å; D590-F602 WeakPolarHBondContact O-CA 3.47Å; D590-F602 PolarHBondContact O-N 2.81Å; D590-F602 VanDerWaalsContact OD2-C 3.27Å; D590-F602 VanDerWaalsContact OD2-CA 3.26Å; D590-F602 WeakPolarHBondContact OD2-CA 2.92Å; D590-F602 WeakPolarHBondContact OD2-CB 3.39Å; D590-P603 WeakPolarHBondContact O-CD 3.47Å; D590-P603 VanDerWaalsContact OD1-CD 3.26Å; D590-P603 WeakPolarHBondContact OD1-CD 3.32Å; D590-M604 WeakPolarHBondContact OD1-CB 3.5Å; D590-M604 VanDerWaalsContact OD1-CG 3.24Å; D590-M604 WeakPolarHBondContact OD1-CG 3.5Å; D590-M604 PolarHBondContact OD1-N 2.7Å; D590-M604 PolarHBondContact OD2-N 3.07Å; D590-L605 WeakPolarHBondContact OD2-CB 3.38Å; D590-L605 PolarHBondContact OD2-N 2.92Å
591D84.1Confident81.2Confident9 Ų927.5 Ų27.55%0.04816%0.156CC..  trans37.859.4179-171.221.8000115.3F543 S589 A593 G594 Q595 C596 F602 P603F543-D591 HydrophobicContact CZ-CB 4.37Å; S589-D591 PolarHBondContact O-N 3.42Å; D591-A593 PolarHBondContact O-N 3.07Å; D591-A593 VanDerWaalsContact O-N 3.13Å; D591-G594 PolarHBondContact O-N 3.28Å; D591-G594 VanDerWaalsContact O-N 3.13Å; D591-G594 WeakPolarHBondContact OD1-CA 3.45Å; D591-G594 PolarHBondContact OD1-N 2.85Å; D591-G594 VanDerWaalsContact OD2-C 3.25Å; D591-G594 VanDerWaalsContact OD2-CA 3.25Å; D591-G594 WeakPolarHBondContact OD2-CA 3.45Å; D591-Q595 VanDerWaalsContact CG-N 3.29Å; D591-Q595 PolarHBondContact OD1-N 3.28Å; D591-Q595 PolarHBondContact OD2-N 2.95Å; D591-C596 VanDerWaalsContact OD2-CB 3.31Å; D591-C596 WeakPolarHBondContact OD2-CB 3.47Å; D591-C596 PolarHBondContact OD2-N 3.23Å; D591-F602 PolarHBondContact O-N 3.32Å; D591-P603 HydrophobicContact CB-CG 4.33Å
592P79.9Confident81.2Confident6 Ų627.8 Ų27.84%0.03916%0.157CC..THydrogen-bonded Turntrans-63-20.8-178.326.2-36.5000113Y334 D590 R601 F602Y334-P592 HydrophobicContact CD1-CB 4.25Å; Y334-P592 HydrophobicContact CD1-CG 3.77Å; Y334-P592 HydrophobicContact CD2-CG 4.03Å; Y334-P592 HydrophobicContact CE1-CG 3.81Å; Y334-P592 HydrophobicContact CE2-CG 4Å; Y334-P592 HydrophobicContact CG-CB 4.25Å; Y334-P592 HydrophobicContact CG-CG 3.93Å; D590-P592 VanDerWaalsContact O-N 3.13Å; P592-R601 WeakPolarHBondContact O-CD 3.44Å; P592-R601 WeakPolarHBondContact O-CG 3.3Å; P592-F602 HydrophobicContact CB-CD1 4.45Å; P592-F602 HydrophobicContact CB-CE1 3.68Å; P592-F602 HydrophobicContact CB-CE2 3.85Å; P592-F602 HydrophobicContact CB-CZ 3.34Å
593A77.2Confident81Confident49 Ų4927.8 Ų27.841%0.40516%0.157SC..THydrogen-bonded Turntrans-89-16.1179.800000113.2Y530 D591 Q595Y530-A593 HydrophobicContact CE1-CB 4.28Å; D591-A593 PolarHBondContact O-N 3.07Å; D591-A593 VanDerWaalsContact O-N 3.13Å; A593-Q595 HydrophobicContact CB-CG 3.94Å
594G78.8Confident80.9Confident25 Ų2527.7 Ų27.726%0.25816%0.157SC..  trans73.732.5-178.400000113.1D591D591-G594 PolarHBondContact O-N 3.28Å; D591-G594 VanDerWaalsContact O-N 3.13Å; D591-G594 WeakPolarHBondContact OD1-CA 3.45Å; D591-G594 PolarHBondContact OD1-N 2.85Å; D591-G594 VanDerWaalsContact OD2-C 3.25Å; D591-G594 VanDerWaalsContact OD2-CA 3.25Å; D591-G594 WeakPolarHBondContact OD2-CA 3.45Å
595Q79.2Confident80.7Confident88 Ų8827.9 Ų27.941%0.41116%0.158SC..  trans-77.1-28.2-178.3-69.4-179.9-13.200113.5D591 A593 D597D591-Q595 VanDerWaalsContact CG-N 3.29Å; D591-Q595 PolarHBondContact OD1-N 3.28Å; D591-Q595 PolarHBondContact OD2-N 2.95Å; A593-Q595 HydrophobicContact CB-CG 3.94Å; Q595-D597 PolarHBondContact O-N 2.96Å
596C81.5Confident80.5Confident15 Ų1528.8 Ų28.810%0.10116%0.16CC..SBendtrans-77.3-8.4180-64.70000112.5C540 D591 L598C540-C596 WeakPolarHBondContact CA-SG 3.32Å; C540-C596 HydrophobicContact CB-CB 3.57Å; C540-C596 WeakPolarHBondContact CB-SG 3.45Å; C540-C596 WeakPolarHBondContact SG-CA 3.27Å; C540-C596 WeakPolarHBondContact SG-CB 3.41Å; C540-C596 CovalentContact SG-SG 2.04Å; C540-C596 PolarHBondContact SG-SG 3.19Å; D591-C596 VanDerWaalsContact OD2-CB 3.31Å; D591-C596 WeakPolarHBondContact OD2-CB 3.47Å; D591-C596 PolarHBondContact OD2-N 3.23Å; C596-L598 HydrophobicContact CB-CB 4.44Å; C596-L598 HydrophobicContact CB-CD1 3.58Å; C596-L598 HydrophobicContact CB-CG 3.68Å; C596-L598 WeakPolarHBondContact O-CG 3.31Å; C596-L598 PolarHBondContact O-N 2.95Å
597D74.3Confident80.3Confident99 Ų9927.2 Ų27.253%0.52915%0.151SC..  trans65.314167.3-132.420.6000110.1L294 Q595 G599L294-D597 HydrophobicContact CD2-CB 3.29Å; L294-D597 WeakPolarHBondContact CD2-O 3.37Å; Q595-D597 PolarHBondContact O-N 2.96Å; D597-G599 PolarHBondContact O-N 2.94Å; D597-G599 VanDerWaalsContact O-N 3.08Å
598L71Confident80.1Confident24 Ų2427.2 Ų27.213%0.12615%0.151CC..SBendtrans-76.816.4177.5-65.2171.9000112.8P297 F543 V544 I564 C596 P603P297-L598 WeakPolarHBondContact CD-O 3.44Å; F543-L598 HydrophobicContact CB-CD1 3.48Å; F543-L598 VanDerWaalsContact CB-CD1 3.48Å; F543-L598 HydrophobicContact CD1-CD1 4.44Å; F543-L598 HydrophobicContact CD2-CD1 3.93Å; F543-L598 HydrophobicContact CG-CD1 3.72Å; V544-L598 HydrophobicContact CG2-CD2 3.65Å; I564-L598 HydrophobicContact CD1-CD1 4.19Å; C596-L598 HydrophobicContact CB-CB 4.44Å; C596-L598 HydrophobicContact CB-CD1 3.58Å; C596-L598 HydrophobicContact CB-CG 3.68Å; C596-L598 WeakPolarHBondContact O-CG 3.31Å; C596-L598 PolarHBondContact O-N 2.95Å; L598-P603 HydrophobicContact CB-CB 4.21Å; L598-P603 HydrophobicContact CD1-CB 4.49Å; L598-P603 HydrophobicContact CD1-CG 4.21Å
599G60.3Low80Confident16 Ų1627.9 Ų27.917%0.16516%0.155CC..SBendtrans118.4-44.5168.700000120.8L296 D597L296-G599 VanDerWaalsContact CB-C 3.41Å; L296-G599 WeakPolarHBondContact CB-O 3.46Å; L296-G599 WeakPolarHBondContact CD1-O 3.38Å; L296-G599 VanDerWaalsContact CD2-C 3.43Å; L296-G599 WeakPolarHBondContact CD2-O 3.36Å; L296-G599 VanDerWaalsContact CG-CA 3.47Å; L296-G599 WeakPolarHBondContact CG-O 3.28Å; D597-G599 PolarHBondContact O-N 2.94Å; D597-G599 VanDerWaalsContact O-N 3.08Å
600S67.6Low79.3Confident24 Ų2427.2 Ų27.217%0.16815%0.15CC..SBendtrans-152.6146.2-16751.50000105
601R81.3Confident78.5Confident137 Ų13727.4 Ų27.452%0.51715%0.151SC..SBendtrans-57.8140.6158.1-64.3-175.3-106164.3-4.6107.4D335 P592D335-R601 IonicContact OD2-NH1 3.69Å; P592-R601 WeakPolarHBondContact O-CD 3.44Å; P592-R601 WeakPolarHBondContact O-CG 3.3Å
602F85.7Confident77.9Confident7 Ų727.1 Ų27.13%0.03115%0.149CC..SBendtrans61.657.4-176.3-51.2-88.8000114.3P338 I339 L587 D590 D591 P592 M604 L605 Q606P338-F602 HydrophobicContact CB-CD2 3.87Å; P338-F602 HydrophobicContact CB-CE2 3.86Å; P338-F602 HydrophobicContact CG-CD2 3.92Å; P338-F602 HydrophobicContact CG-CE2 3.62Å; I339-F602 HydrophobicContact CD1-CE1 4.28Å; I339-F602 HydrophobicContact CD1-CZ 4.48Å; I339-F602 HydrophobicContact CG1-CE1 4.37Å; I339-F602 HydrophobicContact CG1-CZ 4.41Å; L587-F602 HydrophobicContact CD1-CD1 3.82Å; L587-F602 HydrophobicContact CD1-CE1 4.39Å; L587-F602 HydrophobicContact CG-CD1 4.1Å; L587-F602 HydrophobicContact CG-CE1 4.16Å; D590-F602 HydrophobicContact CB-CD1 4.12Å; D590-F602 WeakPolarHBondContact O-CA 3.47Å; D590-F602 PolarHBondContact O-N 2.81Å; D590-F602 VanDerWaalsContact OD2-C 3.27Å; D590-F602 VanDerWaalsContact OD2-CA 3.26Å; D590-F602 WeakPolarHBondContact OD2-CA 2.92Å; D590-F602 WeakPolarHBondContact OD2-CB 3.39Å; D591-F602 PolarHBondContact O-N 3.32Å; P592-F602 HydrophobicContact CB-CD1 4.45Å; P592-F602 HydrophobicContact CB-CE1 3.68Å; P592-F602 HydrophobicContact CB-CE2 3.85Å; P592-F602 HydrophobicContact CB-CZ 3.34Å; F602-M604 VanDerWaalsContact C-N 3.3Å; F602-M604 PolarHBondContact O-N 3.23Å; F602-L605 HydrophobicContact CB-CB 3.75Å; F602-L605 HydrophobicContact CB-CD2 4.18Å; F602-L605 HydrophobicContact CG-CD2 4.48Å; F602-L605 PolarHBondContact O-N 3.4Å; F602-Q606 WeakPolarHBondContact O-CB 3.18Å; F602-Q606 PolarHBondContact O-N 3.14Å
603P87.2Confident77Confident1 Ų127 Ų271%0.00615%0.148CC..Hα-helixtrans-61-33.4-176.626.3-34.8000113.5F543 I564 D590 D591 L598 T607F543-P603 HydrophobicContact CD1-CG 4.06Å; F543-P603 HydrophobicContact CE1-CG 3.92Å; F543-P603 HydrophobicContact CZ-CG 4.45Å; I564-P603 HydrophobicContact CD1-CB 4.24Å; D590-P603 WeakPolarHBondContact O-CD 3.47Å; D590-P603 VanDerWaalsContact OD1-CD 3.26Å; D590-P603 WeakPolarHBondContact OD1-CD 3.32Å; D591-P603 HydrophobicContact CB-CG 4.33Å; L598-P603 HydrophobicContact CB-CB 4.21Å; L598-P603 HydrophobicContact CD1-CB 4.49Å; L598-P603 HydrophobicContact CD1-CG 4.21Å; P603-T607 WeakPolarHBondContact O-CB 3.29Å; P603-T607 PolarHBondContact O-N 2.69Å; P603-T607 PolarHBondContact O-OG1 3.21Å
604M88.6Confident76Confident0 Ų026.6 Ų26.60%014%0.142CC..Hα-helixtrans-76-43.4177.4-61.5-73-81.800111.2V518 T520 F543 D562 I564 A567 L584 D590 F602 T607 T608V518-M604 HydrophobicContact CG1-CE 3.61Å; T520-M604 HydrophobicContact CG2-CB 4.01Å; T520-M604 HydrophobicContact CG2-CG 4.12Å; F543-M604 HydrophobicContact CD1-CG 3.6Å; F543-M604 HydrophobicContact CD1-SD 3.98Å; F543-M604 HydrophobicContact CE1-CG 3.52Å; F543-M604 HydrophobicContact CE1-SD 4.48Å; D562-M604 HydrophobicContact CB-CE 3.7Å; D562-M604 WeakPolarHBondContact O-CE 3.43Å; I564-M604 HydrophobicContact CG1-SD 3.94Å; A567-M604 HydrophobicContact CB-CE 3.53Å; A567-M604 HydrophobicContact CB-SD 3.98Å; L584-M604 HydrophobicContact CD2-CB 4.16Å; D590-M604 WeakPolarHBondContact OD1-CB 3.5Å; D590-M604 VanDerWaalsContact OD1-CG 3.24Å; D590-M604 WeakPolarHBondContact OD1-CG 3.5Å; D590-M604 PolarHBondContact OD1-N 2.7Å; D590-M604 PolarHBondContact OD2-N 3.07Å; F602-M604 VanDerWaalsContact C-N 3.3Å; F602-M604 PolarHBondContact O-N 3.23Å; M604-T607 CarbonylContact O-C 3.52Å; M604-T607 PolarHBondContact O-N 2.86Å; M604-T608 WeakPolarHBondContact O-CG2 3.39Å; M604-T608 PolarHBondContact O-N 2.96Å; M604-T608 PolarHBondContact O-OG1 3.5Å
605L87.5Confident74.7Confident3 Ų326.2 Ų26.22%0.01614%0.138CC..Hα-helixtrans-55.6-56.1171.5-178.957.7000108.9L584 L587 D590 F602 T607 T608 M609L584-L605 HydrophobicContact CD1-CD1 4.26Å; L584-L605 VanDerWaalsContact CD2-CA 3.47Å; L584-L605 HydrophobicContact CD2-CB 4.19Å; L584-L605 HydrophobicContact CD2-CD1 4.38Å; L587-L605 HydrophobicContact CD1-CB 3.93Å; L587-L605 HydrophobicContact CD1-CD2 4.25Å; L587-L605 HydrophobicContact CD2-CD2 4.43Å; D590-L605 WeakPolarHBondContact OD2-CB 3.38Å; D590-L605 PolarHBondContact OD2-N 2.92Å; F602-L605 HydrophobicContact CB-CB 3.75Å; F602-L605 HydrophobicContact CB-CD2 4.18Å; F602-L605 HydrophobicContact CG-CD2 4.48Å; F602-L605 PolarHBondContact O-N 3.4Å; L605-T607 PolarHBondContact O-N 3.12Å; L605-T608 CarbonylContact O-C 3.59Å; L605-T608 WeakPolarHBondContact O-CA 3.35Å; L605-T608 PolarHBondContact O-N 3.22Å; L605-T608 PolarHBondContact O-OG1 2.93Å; L605-M609 HydrophobicContact CD1-CG 4.11Å; L605-M609 HydrophobicContact CD1-SD 4.48Å; L605-M609 HydrophobicContact CG-CG 4.14Å; L605-M609 HydrophobicContact CG-SD 4.09Å; L605-M609 WeakPolarHBondContact O-CG 3.15Å; L605-M609 PolarHBondContact O-N 3.19Å
606Q82.7Confident73Confident38 Ų3832.5 Ų32.518%0.17816%0.158CC..Hα-helixtrans-49.2-60.6176.9-164.356.677.500108.9Y299 F602 T608 M609 D610Y299-Q606 PolarHBondContact OH-NE2 2.94Å; F602-Q606 WeakPolarHBondContact O-CB 3.18Å; F602-Q606 PolarHBondContact O-N 3.14Å; Q606-T608 PolarHBondContact O-N 3.05Å; Q606-M609 WeakPolarHBondContact O-CB 3.23Å; Q606-M609 PolarHBondContact O-N 3.45Å; Q606-D610 PolarHBondContact NE2-OD1 2.96Å; Q606-D610 WeakPolarHBondContact O-CB 3.45Å; Q606-D610 PolarHBondContact O-N 2.9Å; Q606-D610 VanDerWaalsContact O-OD2 3.07Å
607T80.9Confident71Confident1 Ų138 Ų381%0.00619%0.187CC..Hα-helixtrans-51.3-29.9177.3-64.30000114.4I564 A567 R568 P603 M604 L605 D610 N611I564-T607 HydrophobicContact CG2-CG2 3.98Å; I564-T607 WeakPolarHBondContact O-CG2 3.48Å; A567-T607 HydrophobicContact CB-CG2 4.3Å; R568-T607 HydrophobicContact CB-CG2 3.91Å; P603-T607 WeakPolarHBondContact O-CB 3.29Å; P603-T607 PolarHBondContact O-N 2.69Å; P603-T607 PolarHBondContact O-OG1 3.21Å; M604-T607 CarbonylContact O-C 3.52Å; M604-T607 PolarHBondContact O-N 2.86Å; L605-T607 PolarHBondContact O-N 3.12Å; T607-D610 PolarHBondContact N-OD2 3.22Å; T607-D610 WeakPolarHBondContact O-CB 3.39Å; T607-N611 WeakPolarHBondContact O-CA 3.5Å; T607-N611 WeakPolarHBondContact O-CB 3.43Å; T607-N611 PolarHBondContact O-N 3.3Å; T607-N611 PolarHBondContact O-ND2 2.87Å
608T82.4Confident69.3Low0 Ų035.2 Ų35.20%018%0.175CC..Hα-helixtrans-85.4-39.4173.760.10000113.7V518 A571 V582 L584 M604 L605 Q606 D610 N611 Q612V518-T608 HydrophobicContact CG1-CG2 4.46Å; V518-T608 HydrophobicContact CG2-CG2 4.16Å; A571-T608 HydrophobicContact CB-CG2 4.32Å; V582-T608 HydrophobicContact CG2-CG2 4.06Å; L584-T608 HydrophobicContact CD1-CG2 4.15Å; L584-T608 WeakPolarHBondContact CD1-OG1 2.92Å; L584-T608 HydrophobicContact CD2-CG2 3.95Å; L584-T608 HydrophobicContact CG-CG2 4.13Å; M604-T608 WeakPolarHBondContact O-CG2 3.39Å; M604-T608 PolarHBondContact O-N 2.96Å; M604-T608 PolarHBondContact O-OG1 3.5Å; L605-T608 CarbonylContact O-C 3.59Å; L605-T608 WeakPolarHBondContact O-CA 3.35Å; L605-T608 PolarHBondContact O-N 3.22Å; L605-T608 PolarHBondContact O-OG1 2.93Å; Q606-T608 PolarHBondContact O-N 3.05Å; T608-D610 CarbonylContact O-C 3.48Å; T608-D610 PolarHBondContact O-N 3.12Å; T608-N611 PolarHBondContact O-N 2.85Å; T608-N611 VanDerWaalsContact O-N 3.08Å; T608-Q612 WeakPolarHBondContact O-CA 3.39Å; T608-Q612 WeakPolarHBondContact O-CB 3.11Å; T608-Q612 PolarHBondContact O-N 2.91Å
609M79Confident67.5Low27 Ų2742 Ų4213%0.13321%0.21CC..Hα-helixtrans-57-42.6171.7-51.7-173.950.700110.1Y299 R321 S343 L605 Q606Y299-M609 HydrophobicContact CE1-CB 3.82Å; Y299-M609 WeakPolarHBondContact OH-CB 3.09Å; Y299-M609 WeakPolarHBondContact OH-CE 3.4Å; R321-M609 PolarHBondContact NH1-SD 3.25Å; R321-M609 VanDerWaalsContact NH1-SD 3.42Å; S343-M609 WeakPolarHBondContact CB-SD 3.29Å; S343-M609 VanDerWaalsContact OG-CE 3.26Å; S343-M609 WeakPolarHBondContact OG-CE 3.32Å; S343-M609 PolarHBondContact OG-SD 3.42Å; S343-M609 VanDerWaalsContact OG-SD 3.38Å; L605-M609 HydrophobicContact CD1-CG 4.11Å; L605-M609 HydrophobicContact CD1-SD 4.48Å; L605-M609 HydrophobicContact CG-CG 4.14Å; L605-M609 HydrophobicContact CG-SD 4.09Å; L605-M609 WeakPolarHBondContact O-CG 3.15Å; L605-M609 PolarHBondContact O-N 3.19Å; Q606-M609 WeakPolarHBondContact O-CB 3.23Å; Q606-M609 PolarHBondContact O-N 3.45Å
610D69.3Low66.4Low2 Ų252.2 Ų52.21%0.01124%0.244CC..Hα-helixtrans-54.2-72.1166.3-61.6-2.8000107.5M298 Y299 E300 G301 Q606 T607 T608 Q612M298-D610 VanDerWaalsContact C-OD2 3.23Å; M298-D610 WeakPolarHBondContact CA-OD2 3.21Å; Y299-D610 VanDerWaalsContact CA-OD1 3.29Å; Y299-D610 WeakPolarHBondContact CA-OD1 3.32Å; Y299-D610 WeakPolarHBondContact CA-OD2 3.49Å; Y299-D610 HydrophobicContact CD1-CB 4.07Å; Y299-D610 WeakPolarHBondContact CD1-OD1 3.4Å; Y299-D610 WeakPolarHBondContact CD2-OD1 3.47Å; Y299-D610 WeakPolarHBondContact CE1-OD1 3.24Å; Y299-D610 WeakPolarHBondContact CE2-OD1 3.29Å; Y299-D610 HydrophobicContact CG-CB 4.13Å; Y299-D610 PolarHBondContact N-OD1 3.11Å; Y299-D610 VanDerWaalsContact N-OD1 3.1Å; Y299-D610 PolarHBondContact N-OD2 3.05Å; E300-D610 CarbonylContact C-O 3.46Å; E300-D610 WeakPolarHBondContact CA-O 3.35Å; E300-D610 WeakPolarHBondContact CB-O 3.04Å; E300-D610 VanDerWaalsContact CG-C 3.44Å; E300-D610 WeakPolarHBondContact CG-O 2.66Å; G301-D610 PolarHBondContact N-O 3.03Å; Q606-D610 PolarHBondContact NE2-OD1 2.96Å; Q606-D610 WeakPolarHBondContact O-CB 3.45Å; Q606-D610 PolarHBondContact O-N 2.9Å; Q606-D610 VanDerWaalsContact O-OD2 3.07Å; T607-D610 PolarHBondContact N-OD2 3.22Å; T607-D610 WeakPolarHBondContact O-CB 3.39Å; T608-D610 CarbonylContact O-C 3.48Å; T608-D610 PolarHBondContact O-N 3.12Å; D610-Q612 PolarHBondContact O-N 2.73Å
611N69.8Low64.7Low4 Ų454.2 Ų54.22%0.02127%0.269CS..Hα-helixtrans-77.5-2.8-161.5-68.4-90.5000115.8E300 G301 R568 A571 R572 T607 T608E300-N611 PolarHBondContact O-OD1 2.79Å; G301-N611 WeakPolarHBondContact CA-O 3.33Å; G301-N611 WeakPolarHBondContact CA-OD1 3.46Å; G301-N611 VanDerWaalsContact N-CA 3.28Å; G301-N611 PolarHBondContact N-OD1 2.66Å; R568-N611 HydrophobicContact CB-CB 4.24Å; R568-N611 HydrophobicContact CG-CB 4.11Å; R568-N611 WeakPolarHBondContact CG-OD1 3.29Å; A571-N611 CarbonylContact C-O 3.6Å; A571-N611 HydrophobicContact CB-CB 3.57Å; R572-N611 WeakPolarHBondContact CA-O 3.44Å; R572-N611 HydrophobicContact CG-CB 4.09Å; R572-N611 PolarHBondContact N-O 2.94Å; R572-N611 PolarHBondContact NE-OD1 2.64Å; R572-N611 PolarHBondContact NH2-OD1 2.71Å; T607-N611 WeakPolarHBondContact O-CA 3.5Å; T607-N611 WeakPolarHBondContact O-CB 3.43Å; T607-N611 PolarHBondContact O-N 3.3Å; T607-N611 PolarHBondContact O-ND2 2.87Å; T608-N611 PolarHBondContact O-N 2.85Å; T608-N611 VanDerWaalsContact O-N 3.08Å
612Q71.8Confident62.3Low3 Ų350.7 Ų50.71%0.01427%0.274CS..SBendtrans-111.1100.7179.2-172.4-172-4.200109.8C319 V320 A571 T575 V582 T608 D610 C614C319-Q612 PolarHBondContact SG-NE2 3.21Å; V320-Q612 PolarHBondContact O-NE2 3.15Å; A571-Q612 HydrophobicContact CB-CB 4.13Å; T575-Q612 VanDerWaalsContact OG1-CA 3.29Å; T575-Q612 WeakPolarHBondContact OG1-CA 3.18Å; V582-Q612 VanDerWaalsContact CG2-OE1 3.25Å; T608-Q612 WeakPolarHBondContact O-CA 3.39Å; T608-Q612 WeakPolarHBondContact O-CB 3.11Å; T608-Q612 PolarHBondContact O-N 2.91Å; D610-Q612 PolarHBondContact O-N 2.73Å; Q612-C614 PolarHBondContact O-N 2.92Å
613L60.5Low59.9Low3 Ų355.3 Ų55.32%0.01631%0.308CS..  trans-74.1104.7176.6-64.7-167.6000112.5E300 I302 T575 R954E300-L613 HydrophobicContact CB-CD2 4.36Å; E300-L613 HydrophobicContact CG-CD2 3.42Å; E300-L613 VanDerWaalsContact CG-CD2 3.42Å; E300-L613 WeakPolarHBondContact OE1-CD2 3.36Å; I302-L613 HydrophobicContact CB-CD1 4.04Å; I302-L613 HydrophobicContact CB-CG 4.27Å; I302-L613 HydrophobicContact CD1-CD1 3Å; I302-L613 HydrophobicContact CD1-CG 3.97Å; I302-L613 HydrophobicContact CG1-CD1 3.23Å; I302-L613 HydrophobicContact CG1-CG 3.63Å; I302-L613 HydrophobicContact CG2-CB 3.97Å; I302-L613 HydrophobicContact CG2-CD1 3.58Å; I302-L613 HydrophobicContact CG2-CG 3.82Å; T575-L613 HydrophobicContact CG2-CB 3.83Å; T575-L613 PolarHBondContact OG1-N 2.85Å; L613-R954 HydrophobicContact CD1-CB 4.04Å
614C57.9Low57.3Low42 Ų4264.2 Ų64.228%0.28435%0.349SS..  trans-81.5121.6164.4-52.80000109.2C319 Q612 R616C319-C614 HydrophobicContact CB-CB 3.18Å; C319-C614 WeakPolarHBondContact CB-SG 2.9Å; C319-C614 WeakPolarHBondContact SG-CA 3.48Å; C319-C614 WeakPolarHBondContact SG-CB 3.45Å; C319-C614 CovalentContact SG-SG 2.01Å; C319-C614 PolarHBondContact SG-SG 3.41Å; Q612-C614 PolarHBondContact O-N 2.92Å; C614-R616 PolarHBondContact O-N 3.22Å
615G50.2Low54.7Low17 Ų1768 Ų6818%0.17538%0.381CS..  trans-57.5113.2166.900000110.1F951G615-F951 WeakPolarHBondContact CA-O 3.47Å; G615-F951 PolarHBondContact N-O 3.46Å; G615-F951 VanDerWaalsContact N-O 3.07Å
616R43.1Very low52.7Low219 Ų21973.2 Ų73.283%0.82641%0.408SS*.  trans-62146.4156.8-73.1-173.1-176-171.91.8108.3C614 C618C614-R616 PolarHBondContact O-N 3.22Å; R616-C618 PolarHBondContact O-N 3.39Å; R616-C618 VanDerWaalsContact O-N 3.09Å
617D40.7Very low51.1Low131 Ų13178.1 Ų78.170%0.70143%0.431SS*.  trans-39.2122.6170.8-87.2-36.1000108.2L619D617-L619 VanDerWaalsContact C-N 3.28Å; D617-L619 PolarHBondContact O-N 2.83Å
618C37.8Very low49.9Very low41 Ų4180.1 Ų80.128%0.27745%0.445SS..  trans-58.4106.1170.2-54.30000104.4R616 R620 R954 C993R616-C618 PolarHBondContact O-N 3.39Å; R616-C618 VanDerWaalsContact O-N 3.09Å; C618-R620 PolarHBondContact O-N 3.32Å; C618-R954 PolarHBondContact SG-NH2 3.31Å; C618-C993 HydrophobicContact CB-CB 3.77Å; C618-C993 WeakPolarHBondContact CB-SG 3.32Å; C618-C993 WeakPolarHBondContact SG-CB 3.22Å; C618-C993 CovalentContact SG-SG 2.01Å; C618-C993 PolarHBondContact SG-SG 3.26Å
619L34.2Very low48.6Very low167 Ų16787.1 Ų87.187%0.87447%0.471SS*.  trans-55.598.8170.7-73.9171.5000104.2D617 G621D617-L619 VanDerWaalsContact C-N 3.28Å; D617-L619 PolarHBondContact O-N 2.83Å; L619-G621 PolarHBondContact O-N 2.89Å
620R35.4Very low47.4Very low229 Ų22996.2 Ų96.286%0.86451%0.51SS*.  trans-58.595.3157.9-81.1-176.4176.6179.2-1.1102.1C618 G622C618-R620 PolarHBondContact O-N 3.32Å; R620-G622 PolarHBondContact O-N 3.35Å
621G33.9Very low47.2Very low67 Ų6798.2 Ų98.269%0.69153%0.531SS*.  trans-47.3118.2164.400000104.9L619 S623L619-G621 PolarHBondContact O-N 2.89Å; G621-S623 PolarHBondContact O-N 3.41Å
622G29.9Very low47.5Very low62 Ų62100 Ų10064%0.63954%0.537SS*.  trans-45.3142.6-175.100000109.9R620 E624R620-G622 PolarHBondContact O-N 3.35Å; G622-E624 PolarHBondContact O-N 2.98Å
623S34.4Very low48.1Very low105 Ų105100.2 Ų100.273%0.73454%0.538SS*.THydrogen-bonded Turntrans-65.125.6-172.157.10000115G621G621-S623 PolarHBondContact O-N 3.41Å
624E32.5Very low49.4Very low187 Ų187100.3 Ų100.387%0.87454%0.539SS*.THydrogen-bonded Turntrans-128.710.7-167.4-67.5-173.716000114.8G622G622-E624 PolarHBondContact O-N 2.98Å
625A34.7Very low50.9Low81 Ų8198.3 Ų98.367%0.66953%0.526SS*.  trans-138.237.7173.300000114.4Q627A625-Q627 VanDerWaalsContact C-N 3.32Å; A625-Q627 PolarHBondContact O-N 3.03Å
626L44.8Very low52.8Low112 Ų11297.5 Ų97.559%0.58652%0.517SS*.THydrogen-bonded Turntrans-68.5-13.3-164-115.590.5000117.1
627Q50.2Low55.1Low140 Ų14087.2 Ų87.265%0.65448%0.478SS*.THydrogen-bonded Turntrans-85.1-25.4-170-89.9172.6-14.600115.2A625 M778 C779A625-Q627 VanDerWaalsContact C-N 3.32Å; A625-Q627 PolarHBondContact O-N 3.03Å; Q627-M778 HydrophobicContact CB-CE 3.99Å; Q627-M778 HydrophobicContact CB-CG 4.46Å; Q627-M778 HydrophobicContact CB-SD 4.12Å; Q627-M778 HydrophobicContact CG-CE 3.9Å; Q627-M778 HydrophobicContact CG-SD 3.92Å; Q627-C779 PolarHBondContact O-SG 3.11Å; Q627-C779 VanDerWaalsContact O-SG 3.36Å
628C54.8Low57.3Low44 Ų4482.4 Ų82.430%0.29745%0.451SS..SBendtrans-129.664178.1-60.30000110.6K630 M778 C779C628-K630 PolarHBondContact O-N 3.26Å; C628-K630 VanDerWaalsContact O-N 3.12Å; C628-M778 PolarHBondContact SG-O 2.54Å; C628-C779 WeakPolarHBondContact CA-SG 3.48Å; C628-C779 HydrophobicContact CB-CB 4.03Å; C628-C779 WeakPolarHBondContact CB-SG 3.34Å; C628-C779 WeakPolarHBondContact SG-CA 3.44Å; C628-C779 WeakPolarHBondContact SG-CB 3.23Å; C628-C779 CovalentContact SG-SG 2.05Å; C628-C779 PolarHBondContact SG-SG 3.06Å
629R55.1Low59.4Low146 Ų14681 Ų8155%0.55144%0.442SS*.  trans-33.9112.9-173.1-81.1-173.6172.6-164.9-1113.6G631R629-G631 PolarHBondContact O-N 3.49Å
630K55.5Low61.2Low219 Ų21976.4 Ų76.495%0.95242%0.418SS*.  trans-87.235.7158.7-68.8-177.1177.31770111.2C628C628-K630 PolarHBondContact O-N 3.26Å; C628-K630 VanDerWaalsContact O-N 3.12Å
631G63.9Low62.6Low44 Ų4469.5 Ų69.545%0.45440%0.398SS..SBendtrans-94.2178.1-17800000112.2R629 R633R629-G631 PolarHBondContact O-N 3.49Å; G631-R633 PolarHBondContact O-N 3.49Å
632W76.3Confident63.3Low40 Ų4072 Ų7215%0.15240%0.404CS..  trans-51.5126.2174.5179.9-112.2000112A947 A956 R957 L961 V964W632-A947 WeakPolarHBondContact CZ2-O 3.41Å; W632-A956 HydrophobicContact CH2-CB 3.55Å; W632-A956 HydrophobicContact CZ2-CB 4.26Å; W632-R957 VanDerWaalsContact CB-NH2 3.29Å; W632-R957 HydrophobicContact CD2-CG 3.95Å; W632-R957 VanDerWaalsContact CD2-NE 3.29Å; W632-R957 HydrophobicContact CE3-CG 3.49Å; W632-R957 VanDerWaalsContact CE3-CG 3.49Å; W632-R957 HydrophobicContact CH2-CB 4.35Å; W632-R957 HydrophobicContact CH2-CG 3.44Å; W632-R957 VanDerWaalsContact CH2-CG 3.44Å; W632-R957 HydrophobicContact CZ2-CG 3.89Å; W632-R957 HydrophobicContact CZ3-CB 4.23Å; W632-R957 HydrophobicContact CZ3-CG 3.23Å; W632-L961 WeakPolarHBondContact CZ3-O 3.24Å; W632-V964 HydrophobicContact CH2-CG1 4.34Å; W632-V964 HydrophobicContact CZ2-CG1 4.02Å; W632-V964 HydrophobicContact CZ2-CG2 4.21Å
633R84.1Confident64Low9 Ų971.9 Ų71.93%0.03440%0.398CS..EExtended strand (participates in β ladder)trans-89.2130.4177.9165.9179.9-102.8152.6-11.3111.4G631 Q635 H660 E782 H809 L962 G963 V964G631-R633 PolarHBondContact O-N 3.49Å; R633-Q635 HydrophobicContact CG-CB 4.1Å; R633-H660 PolarHBondContact NE-CE1 2.94Å; R633-H660 PolarHBondContact NE-ND1 3.39Å; R633-H660 PolarHBondContact NH2-CD2 2.77Å; R633-H660 PolarHBondContact NH2-CE1 3.29Å; R633-H660 PolarHBondContact NH2-NE2 3.35Å; R633-E782 IonicContact CZ-OE2 2.67Å; R633-E782 IonicContact NH1-OE2 3.3Å; R633-E782 IonicContact NH2-OE2 3.94Å; R633-E782 PolarHBondContact NH2-OE2 3.39Å; R633-H809 PolarHBondContact NH1-CD2 3.22Å; R633-H809 VanDerWaalsContact NH1-CD2 3.28Å; R633-H809 PolarHBondContact NH1-CE1 3.28Å; R633-H809 PolarHBondContact NH1-ND1 2.94Å; R633-H809 PolarHBondContact NH1-NE2 3.35Å; R633-H809 PolarHBondContact NH2-CE1 3.35Å; R633-H809 VanDerWaalsContact NH2-CE1 3.26Å; R633-L962 PolarHBondContact N-O 2.79Å; R633-L962 VanDerWaalsContact N-O 3.1Å; R633-G963 CarbonylContact O-C 3.53Å; R633-G963 WeakPolarHBondContact O-CA 3.37Å; R633-V964 PolarHBondContact O-N 2.94Å
634V87.2Confident64.5Low5 Ų569.9 Ų69.93%0.0339%0.394CS..EExtended strand (participates in β ladder)trans-117108.2159.5-176.90000107.4T659 H660 V964 L986V634-T659 PolarHBondContact N-OG1 3.33Å; V634-T659 PolarHBondContact O-N 2.83Å; V634-T659 PolarHBondContact O-OG1 2.97Å; V634-H660 PolarHBondContact O-N 3.44Å; V634-H660 VanDerWaalsContact O-N 3.09Å; V634-V964 WeakPolarHBondContact CA-O 3.19Å; V634-L986 HydrophobicContact CG1-CD1 4.28Å
635Q90.4Very high65.1Low0 Ų066.1 Ų66.10%038%0.379CS..EExtended strand (participates in β ladder)trans-102126.7-179.1178.6170.2-24.700110R633 Y637 H660 S662 E744 V964 A965 L966R633-Q635 HydrophobicContact CG-CB 4.1Å; Q635-Y637 PolarHBondContact NE2-OH 3.27Å; Q635-H660 CarbonylContact C-O 3.59Å; Q635-H660 WeakPolarHBondContact CA-O 3.38Å; Q635-H660 HydrophobicContact CB-CB 4.11Å; Q635-H660 HydrophobicContact CG-CB 4.09Å; Q635-S662 WeakPolarHBondContact CG-OG 3.25Å; Q635-S662 PolarHBondContact NE2-OG 2.94Å; Q635-E744 PolarHBondContact NE2-OE1 3.19Å; Q635-E744 PolarHBondContact NE2-OE2 3.31Å; Q635-V964 PolarHBondContact N-O 3.01Å; Q635-A965 HydrophobicContact CB-CB 3.85Å; Q635-A965 HydrophobicContact CG-CB 4.15Å; Q635-A965 CarbonylContact O-C 3.59Å; Q635-A965 WeakPolarHBondContact O-CA 3Å; Q635-L966 PolarHBondContact O-N 2.79Å
636C91Very high65.8Low0 Ų073.2 Ų73.20%039%0.389CS..EExtended strand (participates in β ladder)trans-114.1115.6-174.5-61.20000108.6C658 H660 L661 S662 L969C636-C658 HydrophobicContact CB-CB 3.94Å; C636-C658 WeakPolarHBondContact CB-SG 3.4Å; C636-C658 WeakPolarHBondContact SG-CB 3.34Å; C636-C658 CovalentContact SG-SG 2.04Å; C636-C658 PolarHBondContact SG-SG 2.74Å; C636-H660 PolarHBondContact N-O 3.16Å; C636-L661 HydrophobicContact CB-CD1 4.19Å; C636-L661 WeakPolarHBondContact O-CA 3.37Å; C636-S662 PolarHBondContact O-N 2.75Å; C636-L969 HydrophobicContact CB-CD2 4.39Å
637Y90.8Very high66.2Low2 Ų276.4 Ų76.41%0.00839%0.393CS..EExtended strand (participates in β ladder)trans-80.1139.1174.4-75.1-78.4000111.1Q635 S662 F664 V705 E744 T811 A965 L966 H967 L969Q635-Y637 PolarHBondContact NE2-OH 3.27Å; Y637-S662 CarbonylContact C-O 3.58Å; Y637-S662 WeakPolarHBondContact CA-O 3.19Å; Y637-F664 HydrophobicContact CD1-CD2 4.38Å; Y637-F664 HydrophobicContact CD1-CE1 4.45Å; Y637-F664 AromaticContact CD1-CE2 3.47Å; Y637-F664 HydrophobicContact CD1-CE2 3.47Å; Y637-F664 VanDerWaalsContact CD1-CE2 3.47Å; Y637-F664 AromaticContact CD1-CZ 3.46Å; Y637-F664 HydrophobicContact CD1-CZ 3.46Å; Y637-F664 VanDerWaalsContact CD1-CZ 3.46Å; Y637-F664 HydrophobicContact CE1-CE2 4.37Å; Y637-F664 AromaticContact CE1-CZ 3.91Å; Y637-F664 HydrophobicContact CE1-CZ 3.91Å; Y637-F664 AromaticContact CG-CE2 3.91Å; Y637-F664 HydrophobicContact CG-CE2 3.91Å; Y637-F664 HydrophobicContact CG-CZ 4.17Å; Y637-V705 HydrophobicContact CD1-CG2 4.13Å; Y637-V705 HydrophobicContact CE1-CG2 3.93Å; Y637-E744 WeakPolarHBondContact CE1-OE1 3.44Å; Y637-E744 PolarHBondContact OH-OE1 2.92Å; Y637-E744 PolarHBondContact OH-OE2 3.45Å; Y637-T811 WeakPolarHBondContact OH-CG2 3.44Å; Y637-A965 HydrophobicContact CD2-CB 4.28Å; Y637-A965 HydrophobicContact CE2-CB 3.72Å; Y637-L966 WeakPolarHBondContact CB-O 3.28Å; Y637-L966 WeakPolarHBondContact CD2-O 3.42Å; Y637-L966 PolarHBondContact N-O 3.15Å; Y637-H967 HydrophobicContact CD2-CB 3.89Å; Y637-H967 AromaticContact CD2-ND1 3.54Å; Y637-H967 HydrophobicContact CE2-CB 4.43Å; Y637-H967 AromaticContact CE2-ND1 3.92Å; Y637-H967 AromaticContact CG-ND1 3.67Å; Y637-L969 VanDerWaalsContact O-CB 3.28Å; Y637-L969 WeakPolarHBondContact O-CB 3.36Å; Y637-L969 PolarHBondContact O-N 2.9Å
638Y87.1Confident66.3Low31 Ų3176.2 Ų76.212%0.12239%0.39CS..EExtended strand (participates in β ladder)trans-138.6136.7177.3-168.5-90.8000110.4L649 S662 I663 F664 F687 N970Y638-L649 HydrophobicContact CE2-CD2 3.93Å; Y638-S662 PolarHBondContact N-O 3.01Å; Y638-I663 WeakPolarHBondContact O-CA 3.38Å; Y638-F664 PolarHBondContact O-N 3.28Å; Y638-F687 AromaticContact CD1-CE1 3.87Å; Y638-F687 HydrophobicContact CD1-CE1 3.87Å; Y638-F687 AromaticContact CD1-CZ 3.69Å; Y638-F687 HydrophobicContact CD1-CZ 3.69Å; Y638-F687 AromaticContact CE1-CE1 3.94Å; Y638-F687 HydrophobicContact CE1-CE1 3.94Å; Y638-F687 HydrophobicContact CE1-CE2 4.19Å; Y638-F687 AromaticContact CE1-CZ 3.4Å; Y638-F687 HydrophobicContact CE1-CZ 3.4Å; Y638-F687 VanDerWaalsContact CE1-CZ 3.4Å; Y638-N970 WeakPolarHBondContact CA-OD1 3.22Å; Y638-N970 WeakPolarHBondContact CD2-OD1 3.41Å; Y638-N970 WeakPolarHBondContact CE2-ND2 3.23Å
639A80.9Confident66.2Low11 Ų1174.7 Ų74.79%0.09138%0.379CS..  trans-120.8146.5174.500000110.6F664 M968 N970A639-F664 HydrophobicContact CB-CB 3.92Å; A639-F664 HydrophobicContact CB-CD2 4.06Å; A639-F664 HydrophobicContact CB-CG 4.4Å; A639-M968 HydrophobicContact CB-CE 3.24Å; A639-M968 HydrophobicContact CB-SD 4.14Å; A639-M968 VanDerWaalsContact N-CE 3.31Å; A639-N970 PolarHBondContact N-OD1 2.87Å; A639-N970 VanDerWaalsContact N-OD1 3.12Å; A639-N970 PolarHBondContact O-ND2 3.19Å
640L73.3Confident66.2Low71 Ų7171.8 Ų71.837%0.37237%0.374SS..  trans-75.8123.2173.2-140.694.1000108.7E683 F687L640-E683 HydrophobicContact CD2-CB 4.21Å; L640-F687 HydrophobicContact CD1-CB 3.83Å; L640-F687 HydrophobicContact CD1-CD1 3.57Å; L640-F687 HydrophobicContact CD1-CD2 4.13Å; L640-F687 HydrophobicContact CD1-CE1 4.13Å; L640-F687 HydrophobicContact CD1-CG 3.57Å
641D64.8Low66.2Low84 Ų8462.4 Ų62.445%0.44934%0.335SS..  trans-89158.2172.567.127.8000111.8A643 G644D641-A643 PolarHBondContact O-N 3.44Å; D641-A643 VanDerWaalsContact O-N 3.13Å; D641-A643 PolarHBondContact OD1-N 2.98Å; D641-G644 PolarHBondContact O-N 3.07Å; D641-G644 PolarHBondContact OD1-N 3.35Å
642S47Very low66.2Low118 Ų11868 Ų6883%0.82535%0.347SS*.THydrogen-bonded Turntrans-67.3-7.4179.753.50000113.8G644S642-G644 VanDerWaalsContact C-N 3.33Å
643A46.3Very low65.8Low61 Ų6169.4 Ų69.450%0.50436%0.355SS..THydrogen-bonded Turntrans-85.4-6.7178.400000112.6D641 L645D641-A643 PolarHBondContact O-N 3.44Å; D641-A643 VanDerWaalsContact O-N 3.13Å; D641-A643 PolarHBondContact OD1-N 2.98Å; A643-L645 HydrophobicContact CB-CB 4.25Å; A643-L645 HydrophobicContact CB-CD1 4.24Å; A643-L645 WeakPolarHBondContact O-CA 3.48Å; A643-L645 PolarHBondContact O-N 2.93Å
644G44.5Very low65.3Low63 Ų6369 Ų6965%0.64935%0.353SS*.  trans53.718.617700000113.2D641 S642 R646D641-G644 PolarHBondContact O-N 3.07Å; D641-G644 PolarHBondContact OD1-N 3.35Å; S642-G644 VanDerWaalsContact C-N 3.33Å; G644-R646 PolarHBondContact O-N 3.44Å; G644-R646 VanDerWaalsContact O-N 3.12Å
645L44.4Very low64.6Low108 Ų10869.5 Ų69.557%0.56536%0.355SS*.  trans-86109-158.3-132.2126.1000107.5A643 R647A643-L645 HydrophobicContact CB-CB 4.25Å; A643-L645 HydrophobicContact CB-CD1 4.24Å; A643-L645 WeakPolarHBondContact O-CA 3.48Å; A643-L645 PolarHBondContact O-N 2.93Å; L645-R647 HydrophobicContact CD2-CB 4.41Å; L645-R647 HydrophobicContact CD2-CG 3.98Å; L645-R647 PolarHBondContact O-N 3.15Å
646R50.4Low63.9Low230 Ų23075.9 Ų75.987%0.86839%0.389SS*.  trans-54.239.8159.2-58.6176.2-178.5171.8-0.2113G644 F648G644-R646 PolarHBondContact O-N 3.44Å; G644-R646 VanDerWaalsContact O-N 3.12Å; R646-F648 PolarHBondContact O-N 2.94Å
647R52.4Low63.3Low179 Ų17978.9 Ų78.968%0.67540%0.402SS*.  trans-66.776.2150.5-97.5-175.1178165.82.3105.6L645 L649L645-R647 HydrophobicContact CD2-CB 4.41Å; L645-R647 HydrophobicContact CD2-CG 3.98Å; L645-R647 PolarHBondContact O-N 3.15Å; R647-L649 PolarHBondContact O-N 2.72Å; R647-L649 VanDerWaalsContact O-N 3.16Å
648F51.4Low63Low136 Ų13679 Ų7960%0.59640%0.403SS*.  trans-45.8122.7177.2-150.5-112.7000105.4R646 D650 T651 L694R646-F648 PolarHBondContact O-N 2.94Å; F648-D650 PolarHBondContact O-N 2.76Å; F648-T651 HydrophobicContact CD1-CG2 3.72Å; F648-T651 HydrophobicContact CE1-CG2 3.4Å; F648-T651 VanDerWaalsContact CE1-OG1 3.22Å; F648-T651 WeakPolarHBondContact CE1-OG1 3.13Å; F648-T651 HydrophobicContact CE2-CG2 4.35Å; F648-T651 HydrophobicContact CG-CG2 4.33Å; F648-T651 HydrophobicContact CZ-CG2 3.75Å; F648-L694 HydrophobicContact CE2-CD1 4.41Å; F648-L694 HydrophobicContact CZ-CD1 4.02Å; F648-L694 HydrophobicContact CZ-CD2 4.04Å
649L53.6Low62.9Low12 Ų1278.8 Ų78.86%0.06341%0.405CS..  trans-36.3133.7154.1-59.5172.5000105.8Y638 R647 T651 I654Y638-L649 HydrophobicContact CE2-CD2 3.93Å; R647-L649 PolarHBondContact O-N 2.72Å; R647-L649 VanDerWaalsContact O-N 3.16Å; L649-T651 HydrophobicContact CB-CG2 3.84Å; L649-T651 WeakPolarHBondContact O-CA 3.37Å; L649-T651 WeakPolarHBondContact O-CG2 3.37Å; L649-T651 PolarHBondContact O-N 3.27Å; L649-I654 HydrophobicContact CB-CD1 3.68Å; L649-I654 HydrophobicContact CD1-CD1 4.04Å; L649-I654 HydrophobicContact CD2-CD1 3.14Å; L649-I654 HydrophobicContact CG-CD1 3.74Å
650D55.9Low63.3Low85 Ų8578.9 Ų78.946%0.45540%0.404SS..  trans-62.684.1159.8-172.95.1000104.4F648 K652 K653F648-D650 PolarHBondContact O-N 2.76Å; D650-K652 PolarHBondContact O-N 3.12Å; D650-K653 HydrophobicContact CB-CD 4.5Å; D650-K653 PolarHBondContact O-N 3.19Å; D650-K653 WeakPolarHBondContact OD2-CD 3.32Å; D650-K653 VanDerWaalsContact OD2-CE 3.28Å; D650-K653 WeakPolarHBondContact OD2-CE 3.32Å; D650-K653 IonicContact OD2-NZ 2.81Å
651T55.2Low64.1Low21 Ų2175.6 Ų75.613%0.12939%0.386CS..Hα-helixtrans-62.6-32.2-150.334.80000109.1F648 L649 K653 I654 F655 L694F648-T651 HydrophobicContact CD1-CG2 3.72Å; F648-T651 HydrophobicContact CE1-CG2 3.4Å; F648-T651 VanDerWaalsContact CE1-OG1 3.22Å; F648-T651 WeakPolarHBondContact CE1-OG1 3.13Å; F648-T651 HydrophobicContact CE2-CG2 4.35Å; F648-T651 HydrophobicContact CG-CG2 4.33Å; F648-T651 HydrophobicContact CZ-CG2 3.75Å; L649-T651 HydrophobicContact CB-CG2 3.84Å; L649-T651 WeakPolarHBondContact O-CA 3.37Å; L649-T651 WeakPolarHBondContact O-CG2 3.37Å; L649-T651 PolarHBondContact O-N 3.27Å; T651-K653 PolarHBondContact O-N 3.25Å; T651-I654 PolarHBondContact O-N 3.5Å; T651-F655 HydrophobicContact CG2-CE2 4.02Å; T651-F655 WeakPolarHBondContact O-CB 3.29Å; T651-F655 WeakPolarHBondContact O-CD2 3.44Å; T651-F655 WeakPolarHBondContact O-CG 3.09Å; T651-F655 PolarHBondContact O-N 2.69Å; T651-L694 HydrophobicContact CG2-CD1 3.63Å; T651-L694 HydrophobicContact CG2-CD2 4.39Å
652K64.3Low65.5Low161 Ų16171.6 Ų71.670%0.737%0.365SS*.Hα-helixtrans-55.6-48.1173.4-65.2-173.7177.8-177.20112.4D650 I654 F655 D656D650-K652 PolarHBondContact O-N 3.12Å; K652-I654 VanDerWaalsContact C-N 3.35Å; K652-I654 PolarHBondContact O-N 3.2Å; K652-F655 PolarHBondContact O-N 3.37Å; K652-D656 VanDerWaalsContact O-CB 3.31Å; K652-D656 WeakPolarHBondContact O-CB 3.39Å; K652-D656 PolarHBondContact O-N 2.93Å
653K67.3Low67.5Low71 Ų7166 Ų6631%0.30933%0.326SS..Hα-helixtrans-64.1-35.9-175.8-69.2-172.1-179-177.90113.6D650 T651 K657D650-K653 HydrophobicContact CB-CD 4.5Å; D650-K653 PolarHBondContact O-N 3.19Å; D650-K653 WeakPolarHBondContact OD2-CD 3.32Å; D650-K653 VanDerWaalsContact OD2-CE 3.28Å; D650-K653 WeakPolarHBondContact OD2-CE 3.32Å; D650-K653 IonicContact OD2-NZ 2.81Å; T651-K653 PolarHBondContact O-N 3.25Å; K653-K657 WeakPolarHBondContact O-CB 3.48Å; K653-K657 WeakPolarHBondContact O-CD 3.28Å; K653-K657 WeakPolarHBondContact O-CG 3.45Å; K653-K657 PolarHBondContact O-N 3.3Å
654I72.9Confident69.4Low0 Ų064.8 Ų64.80%031%0.309CS..Hα-helixtrans-78.5-41.2179.5-76.3161.1000111L649 T651 K652 D656 K657 C658 L969 Y983 L986L649-I654 HydrophobicContact CB-CD1 3.68Å; L649-I654 HydrophobicContact CD1-CD1 4.04Å; L649-I654 HydrophobicContact CD2-CD1 3.14Å; L649-I654 HydrophobicContact CG-CD1 3.74Å; T651-I654 PolarHBondContact O-N 3.5Å; K652-I654 VanDerWaalsContact C-N 3.35Å; K652-I654 PolarHBondContact O-N 3.2Å; I654-D656 PolarHBondContact O-N 2.66Å; I654-K657 PolarHBondContact O-N 2.83Å; I654-C658 WeakPolarHBondContact O-CB 3.25Å; I654-C658 PolarHBondContact O-N 3.24Å; I654-L969 HydrophobicContact CD1-CD2 3.69Å; I654-L969 HydrophobicContact CG1-CD2 4.02Å; I654-L969 HydrophobicContact CG2-CD2 4Å; I654-Y983 HydrophobicContact CD1-CE1 4.09Å; I654-Y983 HydrophobicContact CD1-CE2 4.1Å; I654-L986 HydrophobicContact CG1-CD2 3.86Å
655F73.2Confident71.1Confident16 Ų1663.7 Ų63.77%0.0730%0.298CS..Hα-helixtrans-69-23.4178.6-74.4-114.4000112.1T651 K652 L691 L694 R695 L700T651-F655 HydrophobicContact CG2-CE2 4.02Å; T651-F655 WeakPolarHBondContact O-CB 3.29Å; T651-F655 WeakPolarHBondContact O-CD2 3.44Å; T651-F655 WeakPolarHBondContact O-CG 3.09Å; T651-F655 PolarHBondContact O-N 2.69Å; K652-F655 PolarHBondContact O-N 3.37Å; F655-L691 HydrophobicContact CE2-CD2 4.35Å; F655-L691 HydrophobicContact CZ-CD2 3.86Å; F655-L694 HydrophobicContact CE1-CB 3.75Å; F655-L694 HydrophobicContact CE2-CB 4.34Å; F655-L694 HydrophobicContact CE2-CD1 4.41Å; F655-L694 HydrophobicContact CZ-CB 3.53Å; F655-L694 HydrophobicContact CZ-CD1 4.08Å; F655-L694 HydrophobicContact CZ-CG 4.47Å; F655-R695 HydrophobicContact CE1-CB 4.16Å; F655-L700 HydrophobicContact CD1-CB 4.21Å; F655-L700 HydrophobicContact CD1-CD2 3.43Å; F655-L700 VanDerWaalsContact CD1-CD2 3.43Å; F655-L700 HydrophobicContact CD1-CG 4.45Å; F655-L700 HydrophobicContact CD2-CD2 4.35Å; F655-L700 HydrophobicContact CE1-CD2 3.48Å; F655-L700 VanDerWaalsContact CE1-CD2 3.48Å; F655-L700 HydrophobicContact CE2-CD2 4.47Å; F655-L700 HydrophobicContact CG-CD2 3.92Å; F655-L700 HydrophobicContact CZ-CD2 4.07Å
656D74.7Confident73.1Confident133 Ų13358.6 Ų58.671%0.71127%0.271SS*.Hα-helixtrans-81.3-22173.7-68.7-18.2000113.7K652 I654K652-D656 VanDerWaalsContact O-CB 3.31Å; K652-D656 WeakPolarHBondContact O-CB 3.39Å; K652-D656 PolarHBondContact O-N 2.93Å; I654-D656 PolarHBondContact O-N 2.66Å
657K79.2Confident74.6Confident63 Ų6350.5 Ų50.527%0.27425%0.245SC..Hα-helixtrans-109-33.8-171.5-72.3-178.6179.3176.90113.9K653 I654 L986 S987 S990K653-K657 WeakPolarHBondContact O-CB 3.48Å; K653-K657 WeakPolarHBondContact O-CD 3.28Å; K653-K657 WeakPolarHBondContact O-CG 3.45Å; K653-K657 PolarHBondContact O-N 3.3Å; I654-K657 PolarHBondContact O-N 2.83Å; K657-L986 HydrophobicContact CB-CD1 4.07Å; K657-L986 HydrophobicContact CB-CD2 4.08Å; K657-L986 HydrophobicContact CB-CG 4.01Å; K657-L986 HydrophobicContact CD-CD2 4.22Å; K657-L986 HydrophobicContact CD-CG 4.07Å; K657-S987 PolarHBondContact NZ-OG 3.42Å; K657-S990 WeakPolarHBondContact CB-OG 3.34Å; K657-S990 WeakPolarHBondContact CD-OG 3.46Å; K657-S990 VanDerWaalsContact CG-OG 3.26Å; K657-S990 WeakPolarHBondContact CG-OG 3.47Å; K657-S990 WeakPolarHBondContact O-CB 3.38Å
658C84.3Confident75.8Confident6 Ų642.1 Ų42.14%0.04121%0.214CC..  trans-88137.1176.1-59.70000109.8C636 I654 L700C636-C658 HydrophobicContact CB-CB 3.94Å; C636-C658 WeakPolarHBondContact CB-SG 3.4Å; C636-C658 WeakPolarHBondContact SG-CB 3.34Å; C636-C658 CovalentContact SG-SG 2.04Å; C636-C658 PolarHBondContact SG-SG 2.74Å; I654-C658 WeakPolarHBondContact O-CB 3.25Å; I654-C658 PolarHBondContact O-N 3.24Å; C658-L700 HydrophobicContact CB-CD1 3.8Å; C658-L700 WeakPolarHBondContact O-CD1 3.41Å
659T85.3Confident77Confident25 Ų2539 Ų3915%0.15320%0.202CC..SBendtrans-89.7-29.6168.662.70000111.7V634 K701V634-T659 PolarHBondContact N-OG1 3.33Å; V634-T659 PolarHBondContact O-N 2.83Å; V634-T659 PolarHBondContact O-OG1 2.97Å; T659-K701 PolarHBondContact O-N 2.91Å
660H89.9Confident77.9Confident14 Ų1441.9 Ų41.97%0.06522%0.222CC..EExtended strand (participates in β ladder)trans-134.5138179.4-63.776.8000109.1R633 V634 Q635 C636 K701 I703 E782R633-H660 PolarHBondContact NE-CE1 2.94Å; R633-H660 PolarHBondContact NE-ND1 3.39Å; R633-H660 PolarHBondContact NH2-CD2 2.77Å; R633-H660 PolarHBondContact NH2-CE1 3.29Å; R633-H660 PolarHBondContact NH2-NE2 3.35Å; V634-H660 PolarHBondContact O-N 3.44Å; V634-H660 VanDerWaalsContact O-N 3.09Å; Q635-H660 CarbonylContact C-O 3.59Å; Q635-H660 WeakPolarHBondContact CA-O 3.38Å; Q635-H660 HydrophobicContact CB-CB 4.11Å; Q635-H660 HydrophobicContact CG-CB 4.09Å; C636-H660 PolarHBondContact N-O 3.16Å; H660-K701 CarbonylContact C-O 3.59Å; H660-K701 VanDerWaalsContact CA-O 3.28Å; H660-K701 WeakPolarHBondContact CA-O 3.22Å; H660-K701 WeakPolarHBondContact CD2-CB 3.42Å; H660-K701 WeakPolarHBondContact NE2-CD 3.48Å; H660-I703 HydrophobicContact CB-CG1 4.45Å; H660-E782 IonicContact NE2-OE1 2.68Å; H660-E782 IonicContact NE2-OE2 2.88Å
661L90.4Very high78.5Confident1 Ų142.3 Ų42.31%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-117.4111.3172.3-17767.2000108C636 I663 L691 L700 K701 L702 I703C636-L661 HydrophobicContact CB-CD1 4.19Å; C636-L661 WeakPolarHBondContact O-CA 3.37Å; L661-I663 HydrophobicContact CG-CG1 4.41Å; L661-L691 HydrophobicContact CD2-CD1 3.83Å; L661-L691 HydrophobicContact CD2-CD2 3.93Å; L661-L700 HydrophobicContact CB-CD1 4.11Å; L661-L700 HydrophobicContact CB-CD2 3.98Å; L661-L700 HydrophobicContact CB-CG 4.25Å; L661-L700 HydrophobicContact CD2-CD2 4.2Å; L661-K701 PolarHBondContact N-O 3.44Å; L661-L702 HydrophobicContact CB-CD2 3.99Å; L661-L702 HydrophobicContact CD2-CD2 4Å; L661-L702 HydrophobicContact CG-CD2 4.44Å; L661-I703 PolarHBondContact O-N 3.45Å
662S92.2Very high79Confident0 Ų046.3 Ų46.30%026%0.259CS..EExtended strand (participates in β ladder)trans-101.3114.4-176-62.90000109.6Q635 C636 Y637 Y638 I703Q635-S662 WeakPolarHBondContact CG-OG 3.25Å; Q635-S662 PolarHBondContact NE2-OG 2.94Å; C636-S662 PolarHBondContact O-N 2.75Å; Y637-S662 CarbonylContact C-O 3.58Å; Y637-S662 WeakPolarHBondContact CA-O 3.19Å; Y638-S662 PolarHBondContact N-O 3.01Å; S662-I703 CarbonylContact C-O 3.5Å; S662-I703 WeakPolarHBondContact CA-O 3.5Å
663I90.4Very high78.9Confident1 Ų141.8 Ų41.81%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-101.9122-169.2-54.7165.2000109.5Y638 L661 F666 L684 F687 V688 L691 I703 V705Y638-I663 WeakPolarHBondContact O-CA 3.38Å; L661-I663 HydrophobicContact CG-CG1 4.41Å; I663-F666 HydrophobicContact CB-CE2 4.17Å; I663-F666 HydrophobicContact CG2-CE2 4.22Å; I663-F666 WeakPolarHBondContact O-CD2 3.33Å; I663-F666 WeakPolarHBondContact O-CE2 3.27Å; I663-L684 HydrophobicContact CG2-CD1 3.86Å; I663-F687 HydrophobicContact CD1-CE1 4.49Å; I663-F687 HydrophobicContact CG2-CD1 4.33Å; I663-F687 HydrophobicContact CG2-CE1 4.15Å; I663-V688 HydrophobicContact CD1-CG2 4.08Å; I663-L691 HydrophobicContact CD1-CD1 3.37Å; I663-L691 HydrophobicContact CG1-CD1 4.2Å; I663-I703 PolarHBondContact N-O 3.39Å; I663-V705 WeakPolarHBondContact O-CB 3.21Å; I663-V705 PolarHBondContact O-N 3.43Å
664F86.8Confident78.7Confident35 Ų3539.4 Ų39.415%0.15425%0.254CS..EExtended strand (participates in β ladder)trans-76.2153.2170.3-72.4-72.6000111.9Y637 Y638 A639 V705 H967Y637-F664 HydrophobicContact CD1-CD2 4.38Å; Y637-F664 HydrophobicContact CD1-CE1 4.45Å; Y637-F664 AromaticContact CD1-CE2 3.47Å; Y637-F664 HydrophobicContact CD1-CE2 3.47Å; Y637-F664 VanDerWaalsContact CD1-CE2 3.47Å; Y637-F664 AromaticContact CD1-CZ 3.46Å; Y637-F664 HydrophobicContact CD1-CZ 3.46Å; Y637-F664 VanDerWaalsContact CD1-CZ 3.46Å; Y637-F664 HydrophobicContact CE1-CE2 4.37Å; Y637-F664 AromaticContact CE1-CZ 3.91Å; Y637-F664 HydrophobicContact CE1-CZ 3.91Å; Y637-F664 AromaticContact CG-CE2 3.91Å; Y637-F664 HydrophobicContact CG-CE2 3.91Å; Y637-F664 HydrophobicContact CG-CZ 4.17Å; Y638-F664 PolarHBondContact O-N 3.28Å; A639-F664 HydrophobicContact CB-CB 3.92Å; A639-F664 HydrophobicContact CB-CD2 4.06Å; A639-F664 HydrophobicContact CB-CG 4.4Å; F664-V705 HydrophobicContact CD1-CB 3.9Å; F664-V705 HydrophobicContact CD1-CG1 3.65Å; F664-V705 HydrophobicContact CE1-CB 4.08Å; F664-V705 HydrophobicContact CE1-CG1 3.41Å; F664-V705 VanDerWaalsContact CE1-CG1 3.41Å; F664-V705 HydrophobicContact CG-CB 4.48Å; F664-V705 HydrophobicContact CZ-CG1 4.23Å; F664-H967 AromaticContact CE2-CE1 3.75Å; F664-H967 AromaticContact CZ-CE1 3.42Å; F664-H967 VanDerWaalsContact CZ-CE1 3.42Å; F664-H967 WeakPolarHBondContact CZ-CE1 3.19Å; F664-H967 AromaticContact CZ-ND1 3.92Å
665G79.2Confident78.6Confident40 Ų4044.7 Ų44.741%0.41228%0.277SS..EExtended strand (participates in β ladder)trans131.1-5.4172.600000114.3
666F86.2Confident78.6Confident2 Ų244 Ų441%0.00927%0.274CS..EExtended strand (participates in β ladder)trans-89.3124.5179.6-54.8-88.4000110.6I663 L678 V680 L684 V688 A704 V705 V706 K707 L738I663-F666 HydrophobicContact CB-CE2 4.17Å; I663-F666 HydrophobicContact CG2-CE2 4.22Å; I663-F666 WeakPolarHBondContact O-CD2 3.33Å; I663-F666 WeakPolarHBondContact O-CE2 3.27Å; F666-L678 HydrophobicContact CB-CD1 4.01Å; F666-L678 HydrophobicContact CD1-CD2 4.32Å; F666-L678 HydrophobicContact CD1-CG 4.45Å; F666-V680 HydrophobicContact CD1-CG2 4.02Å; F666-V680 HydrophobicContact CE1-CG1 4.24Å; F666-V680 HydrophobicContact CE1-CG2 4.16Å; F666-L684 HydrophobicContact CD1-CD2 3.92Å; F666-L684 HydrophobicContact CD2-CD2 4.29Å; F666-L684 HydrophobicContact CE1-CD2 3.73Å; F666-L684 HydrophobicContact CE1-CG 4.25Å; F666-L684 HydrophobicContact CE2-CD1 4.39Å; F666-L684 HydrophobicContact CE2-CD2 4.13Å; F666-L684 HydrophobicContact CG-CD2 4.2Å; F666-L684 HydrophobicContact CZ-CD1 4.22Å; F666-L684 HydrophobicContact CZ-CD2 3.85Å; F666-L684 HydrophobicContact CZ-CG 4.11Å; F666-V688 HydrophobicContact CZ-CG2 4.11Å; F666-A704 HydrophobicContact CD1-CB 4.31Å; F666-A704 HydrophobicContact CD2-CB 3.75Å; F666-A704 HydrophobicContact CE1-CB 4.24Å; F666-A704 HydrophobicContact CE2-CB 3.65Å; F666-A704 HydrophobicContact CG-CB 4.09Å; F666-A704 HydrophobicContact CZ-CB 3.91Å; F666-V705 WeakPolarHBondContact CB-O 3.32Å; F666-V706 HydrophobicContact CB-CG2 3.91Å; F666-V706 WeakPolarHBondContact O-CA 3.09Å; F666-K707 PolarHBondContact O-N 2.94Å; F666-K707 VanDerWaalsContact O-N 3.16Å; F666-L738 HydrophobicContact CD1-CD1 4.31Å; F666-L738 HydrophobicContact CE1-CD1 3.57Å; F666-L738 HydrophobicContact CZ-CD1 4.4Å
667N81.2Confident78.9Confident59 Ų5939.4 Ų39.432%0.31625%0.251SS..EExtended strand (participates in β ladder)trans-121.3147.3176.7-63.5-69.2000109.8L669 D679N667-L669 HydrophobicContact CB-CD2 4.32Å; N667-L669 HydrophobicContact CB-CG 4.34Å; N667-D679 PolarHBondContact O-N 3.37Å
668I79.1Confident79.2Confident4 Ų436.8 Ų36.82%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-91.3119165.9-63.6170.7000106.6L676 V677 L678 V706 P709 W711 I731 F745 W759I668-L676 HydrophobicContact CG2-CB 3.83Å; I668-L676 HydrophobicContact CG2-CD1 3.85Å; I668-L676 HydrophobicContact CG2-CG 4.31Å; I668-V677 WeakPolarHBondContact CA-O 3.49Å; I668-L678 HydrophobicContact CG1-CD1 4.43Å; I668-V706 HydrophobicContact CD1-CG1 3.8Å; I668-V706 HydrophobicContact CG1-CG1 3.72Å; I668-P709 HydrophobicContact CB-CG 4.46Å; I668-W711 HydrophobicContact CG2-CH2 4.46Å; I668-W711 HydrophobicContact CG2-CZ2 4.29Å; I668-W711 WeakPolarHBondContact O-CZ2 3.38Å; I668-I731 HydrophobicContact CD1-CD1 4.23Å; I668-F745 HydrophobicContact CD1-CE1 4.42Å; I668-W759 HydrophobicContact CD1-CH2 3.79Å; I668-W759 HydrophobicContact CD1-CZ3 4.44Å
669L76.6Confident79.2Confident69 Ų6939.6 Ų39.636%0.36125%0.254SS..EExtended strand (participates in β ladder)trans-117.8144179.6-64.3-175.5000111N667 L676 V677 D679N667-L669 HydrophobicContact CB-CD2 4.32Å; N667-L669 HydrophobicContact CB-CG 4.34Å; L669-L676 WeakPolarHBondContact O-CA 3.17Å; L669-V677 PolarHBondContact N-O 2.78Å; L669-V677 PolarHBondContact O-N 3.03Å; L669-V677 VanDerWaalsContact O-N 3.08Å; L669-D679 HydrophobicContact CB-CB 4.35Å; L669-D679 HydrophobicContact CD1-CB 3.56Å; L669-D679 VanDerWaalsContact CD1-OD2 3.3Å; L669-D679 WeakPolarHBondContact CD1-OD2 3.47Å; L669-D679 HydrophobicContact CG-CB 3.77Å
670P71.6Confident79.2Confident73 Ų7339.2 Ų39.247%0.47425%0.252SS..EExtended strand (participates in β ladder)trans-77129.517031.5-31000110.5L676 W711P670-L676 HydrophobicContact CB-CD2 3.89Å; P670-W711 HydrophobicContact CB-CH2 4.43Å; P670-W711 HydrophobicContact CB-CZ3 4.47Å; P670-W711 HydrophobicContact CG-CZ2 4.44Å
671L69.4Low79Confident94 Ų9440.4 Ų40.449%0.49226%0.262SS..PPolyproline II helixtrans-91.9161.1167.1-76.3174.7000111.2G673 G674 K675 V677L671-G673 PolarHBondContact O-N 2.63Å; L671-G674 PolarHBondContact O-N 3.25Å; L671-K675 PolarHBondContact N-O 3Å; L671-V677 HydrophobicContact CD1-CB 4.15Å; L671-V677 HydrophobicContact CD1-CG1 3.35Å; L671-V677 HydrophobicContact CD1-CG2 3.71Å; L671-V677 HydrophobicContact CD2-CG2 4.34Å; L671-V677 HydrophobicContact CG-CG1 4.18Å; L671-V677 HydrophobicContact CG-CG2 3.68Å
672A64.5Low78.8Confident105 Ų10545 Ų4587%0.86829%0.292SS*.THydrogen-bonded Turntrans-51131.6166.400000110.4
673G62.5Low78.4Confident67 Ų6750.6 Ų50.669%0.69132%0.318SS*.THydrogen-bonded Turntrans93.80.2-17300000115.2L671 K675L671-G673 PolarHBondContact O-N 2.63Å; G673-K675 VanDerWaalsContact C-N 3.35Å
674G64.2Low78.2Confident21 Ų2150.8 Ų50.822%0.21632%0.319CS..SBendtrans82.77.8173.600000114.7L671 W723L671-G674 PolarHBondContact O-N 3.25Å; G674-W723 PolarHBondContact O-NE1 3.22Å
675K68.9Low78.3Confident110 Ų11052.8 Ų52.848%0.47833%0.326SS..  trans-75.4139.2173.9-67.3-178.3177-179.80110L671 G673L671-K675 PolarHBondContact N-O 3Å; G673-K675 VanDerWaalsContact C-N 3.35Å
676L75.3Confident78.7Confident3 Ų353.3 Ų53.32%0.01633%0.326CS..EExtended strand (participates in β ladder)trans-96.3138.6168.6-54.9-172000110.3I668 L669 P670 W711 W723 T727 N730I668-L676 HydrophobicContact CG2-CB 3.83Å; I668-L676 HydrophobicContact CG2-CD1 3.85Å; I668-L676 HydrophobicContact CG2-CG 4.31Å; L669-L676 WeakPolarHBondContact O-CA 3.17Å; P670-L676 HydrophobicContact CB-CD2 3.89Å; L676-W711 HydrophobicContact CD1-CH2 3.68Å; L676-W711 HydrophobicContact CD1-CZ3 4.35Å; L676-W711 HydrophobicContact CD2-CH2 3.27Å; L676-W711 HydrophobicContact CD2-CZ2 4.25Å; L676-W711 HydrophobicContact CD2-CZ3 3.82Å; L676-W711 HydrophobicContact CG-CH2 4.09Å; L676-W723 HydrophobicContact CD1-CH2 3.34Å; L676-W723 HydrophobicContact CD1-CZ2 3.45Å; L676-W723 VanDerWaalsContact CD1-CZ2 3.45Å; L676-W723 HydrophobicContact CD2-CZ2 4.21Å; L676-W723 HydrophobicContact CG-CH2 3.91Å; L676-W723 HydrophobicContact CG-CZ2 3.48Å; L676-W723 VanDerWaalsContact CG-CZ2 3.48Å; L676-T727 HydrophobicContact CB-CG2 3.8Å; L676-T727 HydrophobicContact CD1-CG2 4.25Å; L676-T727 HydrophobicContact CG-CG2 4.37Å; L676-N730 PolarHBondContact O-ND2 2.79Å
677V80Confident78.6Confident36 Ų3655.2 Ų55.222%0.21833%0.334CS..EExtended strand (participates in β ladder)trans-127.5150.5174.2-67.50000110.4I668 L669 L671 D679I668-V677 WeakPolarHBondContact CA-O 3.49Å; L669-V677 PolarHBondContact N-O 2.78Å; L669-V677 PolarHBondContact O-N 3.03Å; L669-V677 VanDerWaalsContact O-N 3.08Å; L671-V677 HydrophobicContact CD1-CB 4.15Å; L671-V677 HydrophobicContact CD1-CG1 3.35Å; L671-V677 HydrophobicContact CD1-CG2 3.71Å; L671-V677 HydrophobicContact CD2-CG2 4.34Å; L671-V677 HydrophobicContact CG-CG1 4.18Å; L671-V677 HydrophobicContact CG-CG2 3.68Å; V677-D679 PolarHBondContact O-N 3.35Å
678L85.2Confident78.9Confident8 Ų852.4 Ų52.44%0.04232%0.319CS..EExtended strand (participates in β ladder)trans-75.7105.5165.5-169.967.2000107.5F666 I668 V680 V706 E734 L735F666-L678 HydrophobicContact CB-CD1 4.01Å; F666-L678 HydrophobicContact CD1-CD2 4.32Å; F666-L678 HydrophobicContact CD1-CG 4.45Å; I668-L678 HydrophobicContact CG1-CD1 4.43Å; L678-V680 HydrophobicContact CG-CG2 4.38Å; L678-V706 HydrophobicContact CD1-CG1 4.17Å; L678-V706 HydrophobicContact CD1-CG2 3.82Å; L678-E734 HydrophobicContact CB-CB 4.24Å; L678-E734 HydrophobicContact CD2-CB 4.22Å; L678-L735 HydrophobicContact CD2-CD2 3.88Å; L678-L735 HydrophobicContact CD2-CG 4.2Å
679D83.7Confident79.3Confident64 Ų6455.6 Ų55.634%0.34234%0.336SS..EExtended strand (participates in β ladder)trans-74.2128.7176.5-178.139.3000110.2N667 L669 V677N667-D679 PolarHBondContact O-N 3.37Å; L669-D679 HydrophobicContact CB-CB 4.35Å; L669-D679 HydrophobicContact CD1-CB 3.56Å; L669-D679 VanDerWaalsContact CD1-OD2 3.3Å; L669-D679 WeakPolarHBondContact CD1-OD2 3.47Å; L669-D679 HydrophobicContact CG-CB 3.77Å; V677-D679 PolarHBondContact O-N 3.35Å
680V85.8Confident79.7Confident17 Ų1756 Ų5610%0.10334%0.339CS..  trans-138.2108.6-178.4-170.80000107.5F666 L678 L684 R685 L738F666-V680 HydrophobicContact CD1-CG2 4.02Å; F666-V680 HydrophobicContact CE1-CG1 4.24Å; F666-V680 HydrophobicContact CE1-CG2 4.16Å; L678-V680 HydrophobicContact CG-CG2 4.38Å; V680-L684 HydrophobicContact CG1-CB 4.21Å; V680-L684 HydrophobicContact CG1-CD2 4.03Å; V680-L684 HydrophobicContact CG1-CG 4.06Å; V680-R685 HydrophobicContact CG1-CB 4.03Å; V680-L738 HydrophobicContact CG1-CD2 4.03Å; V680-L738 HydrophobicContact CG2-CD1 4.05Å
681S85.5Confident80.2Confident40 Ų4052.8 Ų52.828%0.2832%0.317SS..  trans-62.3152.7177.792.20000111.2E683 L684 R685S681-E683 WeakPolarHBondContact CB-OE2 2.99Å; S681-E683 PolarHBondContact O-N 3.49Å; S681-E683 PolarHBondContact OG-N 3.32Å; S681-E683 PolarHBondContact OG-OE2 2.94Å; S681-L684 PolarHBondContact O-N 3.17Å; S681-L684 PolarHBondContact OG-N 2.96Å; S681-L684 VanDerWaalsContact OG-N 3.13Å; S681-R685 PolarHBondContact O-N 3.46Å
682P86.4Confident81Confident98 Ų9849.1 Ų49.164%0.63630%0.299SS*.Hα-helixtrans-54-37.8175.3-26.135.4000112.9R685 A686P682-R685 PolarHBondContact O-N 2.96Å; P682-A686 WeakPolarHBondContact O-CB 3.2Å; P682-A686 PolarHBondContact O-N 2.92Å
683E84.2Confident81.8Confident117 Ų11750.3 Ų50.355%0.54728%0.284SS..Hα-helixtrans-66.6-45.5178.9-54.171.3-150.600111.1L640 S681 R685 A686 F687L640-E683 HydrophobicContact CD2-CB 4.21Å; S681-E683 WeakPolarHBondContact CB-OE2 2.99Å; S681-E683 PolarHBondContact O-N 3.49Å; S681-E683 PolarHBondContact OG-N 3.32Å; S681-E683 PolarHBondContact OG-OE2 2.94Å; E683-R685 VanDerWaalsContact C-N 3.33Å; E683-R685 PolarHBondContact O-N 3.07Å; E683-A686 PolarHBondContact O-N 3.2Å; E683-F687 WeakPolarHBondContact O-CB 3.38Å; E683-F687 PolarHBondContact O-N 3.35Å
684L86Confident82.4Confident5 Ų549.7 Ų49.73%0.02627%0.265CS..Hα-helixtrans-63-41.6176.2179.959.6000111.2I663 F666 V680 S681 F687 V688I663-L684 HydrophobicContact CG2-CD1 3.86Å; F666-L684 HydrophobicContact CD1-CD2 3.92Å; F666-L684 HydrophobicContact CD2-CD2 4.29Å; F666-L684 HydrophobicContact CE1-CD2 3.73Å; F666-L684 HydrophobicContact CE1-CG 4.25Å; F666-L684 HydrophobicContact CE2-CD1 4.39Å; F666-L684 HydrophobicContact CE2-CD2 4.13Å; F666-L684 HydrophobicContact CG-CD2 4.2Å; F666-L684 HydrophobicContact CZ-CD1 4.22Å; F666-L684 HydrophobicContact CZ-CD2 3.85Å; F666-L684 HydrophobicContact CZ-CG 4.11Å; V680-L684 HydrophobicContact CG1-CB 4.21Å; V680-L684 HydrophobicContact CG1-CD2 4.03Å; V680-L684 HydrophobicContact CG1-CG 4.06Å; S681-L684 PolarHBondContact O-N 3.17Å; S681-L684 PolarHBondContact OG-N 2.96Å; S681-L684 VanDerWaalsContact OG-N 3.13Å; L684-F687 PolarHBondContact O-N 3.36Å; L684-V688 HydrophobicContact CD1-CG2 4.29Å; L684-V688 WeakPolarHBondContact O-CG2 3.45Å; L684-V688 PolarHBondContact O-N 3.13Å
685R89.3Confident83Confident77 Ų7750.4 Ų50.429%0.29126%0.261SS..Hα-helixtrans-63.8-43.3177.5-170.2174.6-64.7-93.44111.6V680 S681 P682 E683 F687 N689 E734 L738V680-R685 HydrophobicContact CG1-CB 4.03Å; S681-R685 PolarHBondContact O-N 3.46Å; P682-R685 PolarHBondContact O-N 2.96Å; E683-R685 VanDerWaalsContact C-N 3.33Å; E683-R685 PolarHBondContact O-N 3.07Å; R685-F687 VanDerWaalsContact C-N 3.34Å; R685-N689 WeakPolarHBondContact O-CB 3.41Å; R685-N689 PolarHBondContact O-N 3.22Å; R685-N689 PolarHBondContact O-ND2 3.32Å; R685-E734 IonicContact CZ-OE2 2.62Å; R685-E734 IonicContact NH1-OE2 3.32Å; R685-E734 IonicContact NH2-OE2 2.95Å; R685-E734 PolarHBondContact NH2-OE2 3.46Å; R685-L738 HydrophobicContact CG-CD2 4.19Å
686A87Confident82.8Confident50 Ų5053.4 Ų53.441%0.41328%0.276SS..Hα-helixtrans-60.8-44.5174.700000111.5P682 E683 N689 D690P682-A686 WeakPolarHBondContact O-CB 3.2Å; P682-A686 PolarHBondContact O-N 2.92Å; E683-A686 PolarHBondContact O-N 3.2Å; A686-N689 WeakPolarHBondContact O-CB 3.32Å; A686-N689 PolarHBondContact O-N 3.41Å; A686-D690 PolarHBondContact O-N 3.5Å
687F84.7Confident81.9Confident42 Ų4259 Ų5918%0.18432%0.316CS..Hα-helixtrans-62-46.8178.4179.9-113.1000113Y638 L640 I663 E683 L684 R685 N689 D690 L691Y638-F687 AromaticContact CD1-CE1 3.87Å; Y638-F687 HydrophobicContact CD1-CE1 3.87Å; Y638-F687 AromaticContact CD1-CZ 3.69Å; Y638-F687 HydrophobicContact CD1-CZ 3.69Å; Y638-F687 AromaticContact CE1-CE1 3.94Å; Y638-F687 HydrophobicContact CE1-CE1 3.94Å; Y638-F687 HydrophobicContact CE1-CE2 4.19Å; Y638-F687 AromaticContact CE1-CZ 3.4Å; Y638-F687 HydrophobicContact CE1-CZ 3.4Å; Y638-F687 VanDerWaalsContact CE1-CZ 3.4Å; L640-F687 HydrophobicContact CD1-CB 3.83Å; L640-F687 HydrophobicContact CD1-CD1 3.57Å; L640-F687 HydrophobicContact CD1-CD2 4.13Å; L640-F687 HydrophobicContact CD1-CE1 4.13Å; L640-F687 HydrophobicContact CD1-CG 3.57Å; I663-F687 HydrophobicContact CD1-CE1 4.49Å; I663-F687 HydrophobicContact CG2-CD1 4.33Å; I663-F687 HydrophobicContact CG2-CE1 4.15Å; E683-F687 WeakPolarHBondContact O-CB 3.38Å; E683-F687 PolarHBondContact O-N 3.35Å; L684-F687 PolarHBondContact O-N 3.36Å; R685-F687 VanDerWaalsContact C-N 3.34Å; F687-N689 VanDerWaalsContact C-N 3.29Å; F687-N689 PolarHBondContact O-N 3.46Å; F687-D690 PolarHBondContact O-N 3.25Å; F687-L691 HydrophobicContact CD1-CD1 4.03Å; F687-L691 HydrophobicContact CE1-CD1 3.51Å; F687-L691 HydrophobicContact CE1-CG 4.3Å; F687-L691 HydrophobicContact CE2-CD1 4.43Å; F687-L691 HydrophobicContact CE2-CG 4.4Å; F687-L691 HydrophobicContact CZ-CD1 3.74Å; F687-L691 HydrophobicContact CZ-CD2 4.35Å; F687-L691 HydrophobicContact CZ-CG 4.15Å; F687-L691 PolarHBondContact O-N 2.93Å
688V87.5Confident81.3Confident0 Ų058.5 Ų58.50%031%0.314CS..Hα-helixtrans-61.3-38.9176.2172.90000111.2I663 F666 L684 D690 L691 N692 L738 V740I663-V688 HydrophobicContact CD1-CG2 4.08Å; F666-V688 HydrophobicContact CZ-CG2 4.11Å; L684-V688 HydrophobicContact CD1-CG2 4.29Å; L684-V688 WeakPolarHBondContact O-CG2 3.45Å; L684-V688 PolarHBondContact O-N 3.13Å; V688-D690 VanDerWaalsContact C-N 3.35Å; V688-D690 PolarHBondContact O-N 2.97Å; V688-L691 PolarHBondContact O-N 3.4Å; V688-N692 WeakPolarHBondContact O-CB 3.47Å; V688-N692 PolarHBondContact O-N 3.34Å; V688-N692 PolarHBondContact O-ND2 3.37Å; V688-L738 HydrophobicContact CG1-CB 4.41Å; V688-L738 WeakPolarHBondContact CG1-O 3.2Å; V688-V740 HydrophobicContact CG1-CG1 4.16Å
689N88Confident80.6Confident71 Ų7164 Ų6438%0.3834%0.34SS..Hα-helixtrans-63.4-39.2175.6-73.6-21.3000112.5R685 A686 F687 N692 K693R685-N689 WeakPolarHBondContact O-CB 3.41Å; R685-N689 PolarHBondContact O-N 3.22Å; R685-N689 PolarHBondContact O-ND2 3.32Å; A686-N689 WeakPolarHBondContact O-CB 3.32Å; A686-N689 PolarHBondContact O-N 3.41Å; F687-N689 VanDerWaalsContact C-N 3.29Å; F687-N689 PolarHBondContact O-N 3.46Å; N689-N692 PolarHBondContact O-N 2.9Å; N689-K693 WeakPolarHBondContact O-CG 3.33Å; N689-K693 PolarHBondContact O-N 2.91Å; N689-K693 VanDerWaalsContact O-N 3.17Å
690D83.2Confident80.5Confident79 Ų7961.1 Ų61.142%0.42232%0.324SS..Hα-helixtrans-69.3-38.3176.6-71.8-20000112.2A686 F687 V688 N692 K693 L694A686-D690 PolarHBondContact O-N 3.5Å; F687-D690 PolarHBondContact O-N 3.25Å; V688-D690 VanDerWaalsContact C-N 3.35Å; V688-D690 PolarHBondContact O-N 2.97Å; D690-N692 VanDerWaalsContact C-N 3.33Å; D690-N692 PolarHBondContact O-N 2.71Å; D690-K693 WeakPolarHBondContact O-CB 3.12Å; D690-K693 PolarHBondContact O-N 3.34Å; D690-K693 IonicContact OD1-NZ 3.58Å; D690-K693 PolarHBondContact OD1-NZ 2.83Å; D690-L694 WeakPolarHBondContact O-CG 3.46Å; D690-L694 PolarHBondContact O-N 3.19Å; D690-L694 VanDerWaalsContact O-N 3.12Å
691L82.9Confident80.6Confident4 Ų461.6 Ų61.62%0.02133%0.325CS..Hα-helixtrans-62.9-39.4172-70.7175.4000112.3F655 L661 I663 F687 V688 K693 L694 R695 L702F655-L691 HydrophobicContact CE2-CD2 4.35Å; F655-L691 HydrophobicContact CZ-CD2 3.86Å; L661-L691 HydrophobicContact CD2-CD1 3.83Å; L661-L691 HydrophobicContact CD2-CD2 3.93Å; I663-L691 HydrophobicContact CD1-CD1 3.37Å; I663-L691 HydrophobicContact CG1-CD1 4.2Å; F687-L691 HydrophobicContact CD1-CD1 4.03Å; F687-L691 HydrophobicContact CE1-CD1 3.51Å; F687-L691 HydrophobicContact CE1-CG 4.3Å; F687-L691 HydrophobicContact CE2-CD1 4.43Å; F687-L691 HydrophobicContact CE2-CG 4.4Å; F687-L691 HydrophobicContact CZ-CD1 3.74Å; F687-L691 HydrophobicContact CZ-CD2 4.35Å; F687-L691 HydrophobicContact CZ-CG 4.15Å; F687-L691 PolarHBondContact O-N 2.93Å; V688-L691 PolarHBondContact O-N 3.4Å; L691-K693 VanDerWaalsContact C-N 3.29Å; L691-K693 PolarHBondContact O-N 3Å; L691-L694 PolarHBondContact O-N 3.25Å; L691-R695 WeakPolarHBondContact O-CB 3.36Å; L691-R695 PolarHBondContact O-N 3.47Å; L691-L702 HydrophobicContact CB-CD1 3.97Å; L691-L702 HydrophobicContact CB-CD2 4.35Å; L691-L702 HydrophobicContact CD1-CD2 4.45Å
692N86.2Confident80.8Confident18 Ų1859.7 Ų59.710%0.09631%0.311CS..Hα-helixtrans-61.9-35.6175.2-85.9-44.8000112.7V688 N689 D690 R695 L702 L738 N739V688-N692 WeakPolarHBondContact O-CB 3.47Å; V688-N692 PolarHBondContact O-N 3.34Å; V688-N692 PolarHBondContact O-ND2 3.37Å; N689-N692 PolarHBondContact O-N 2.9Å; D690-N692 VanDerWaalsContact C-N 3.33Å; D690-N692 PolarHBondContact O-N 2.71Å; N692-R695 PolarHBondContact OD1-NH2 2.88Å; N692-L702 WeakPolarHBondContact OD1-CD1 3.46Å; N692-L738 PolarHBondContact ND2-O 2.9Å; N692-N739 PolarHBondContact OD1-O 2.93Å
693K81.8Confident81.2Confident129 Ų12955.1 Ų55.156%0.56128%0.281SS*.Hα-helixtrans-66.8-43.3173.7-65.9168.6-165.5159.60111.5N689 D690 L691 Q696N689-K693 WeakPolarHBondContact O-CG 3.33Å; N689-K693 PolarHBondContact O-N 2.91Å; N689-K693 VanDerWaalsContact O-N 3.17Å; D690-K693 WeakPolarHBondContact O-CB 3.12Å; D690-K693 PolarHBondContact O-N 3.34Å; D690-K693 IonicContact OD1-NZ 3.58Å; D690-K693 PolarHBondContact OD1-NZ 2.83Å; L691-K693 VanDerWaalsContact C-N 3.29Å; L691-K693 PolarHBondContact O-N 3Å; K693-Q696 WeakPolarHBondContact O-CG 3.36Å
694L75.7Confident81.6Confident55 Ų5549.5 Ų49.529%0.28826%0.255SS..Hα-helixtrans-69.3-32.8-179.3-70.3165.7000113.1F648 T651 F655 D690 L691 Q696F648-L694 HydrophobicContact CE2-CD1 4.41Å; F648-L694 HydrophobicContact CZ-CD1 4.02Å; F648-L694 HydrophobicContact CZ-CD2 4.04Å; T651-L694 HydrophobicContact CG2-CD1 3.63Å; T651-L694 HydrophobicContact CG2-CD2 4.39Å; F655-L694 HydrophobicContact CE1-CB 3.75Å; F655-L694 HydrophobicContact CE2-CB 4.34Å; F655-L694 HydrophobicContact CE2-CD1 4.41Å; F655-L694 HydrophobicContact CZ-CB 3.53Å; F655-L694 HydrophobicContact CZ-CD1 4.08Å; F655-L694 HydrophobicContact CZ-CG 4.47Å; D690-L694 WeakPolarHBondContact O-CG 3.46Å; D690-L694 PolarHBondContact O-N 3.19Å; D690-L694 VanDerWaalsContact O-N 3.12Å; L691-L694 PolarHBondContact O-N 3.25Å; L694-Q696 PolarHBondContact O-N 3.41Å
695R75.3Confident81.9Confident36 Ų3649.4 Ų49.414%0.13626%0.255CS..G310 helixtrans-65.2-20.1-177.9175.2174.361.2142.2-7.2113.6F655 L691 N692 S697 S698 L700 N739 D741F655-R695 HydrophobicContact CE1-CB 4.16Å; L691-R695 WeakPolarHBondContact O-CB 3.36Å; L691-R695 PolarHBondContact O-N 3.47Å; N692-R695 PolarHBondContact OD1-NH2 2.88Å; R695-S697 PolarHBondContact O-N 3.36Å; R695-S698 WeakPolarHBondContact CA-OG 3.46Å; R695-S698 PolarHBondContact O-N 2.91Å; R695-S698 VanDerWaalsContact O-O 3.09Å; R695-S698 PolarHBondContact O-OG 3.5Å; R695-L700 WeakPolarHBondContact CD-O 3.49Å; R695-L700 HydrophobicContact CG-CB 4.48Å; R695-N739 PolarHBondContact NH2-O 3.08Å; R695-N739 VanDerWaalsContact NH2-O 3.08Å; R695-D741 IonicContact CZ-OD1 3.85Å; R695-D741 IonicContact CZ-OD2 3.12Å; R695-D741 IonicContact NH1-OD1 3.78Å; R695-D741 PolarHBondContact NH1-OD1 3.16Å; R695-D741 IonicContact NH1-OD2 3.24Å; R695-D741 PolarHBondContact NH1-OD2 3.26Å; R695-D741 IonicContact NH2-OD1 3.84Å
696Q65.1Low81.8Confident172 Ų17245.8 Ų45.880%0.80424%0.241SC*.G310 helixtrans-54.4-22.6-170.5-68.5-179.9-2.500114.9K693 L694K693-Q696 WeakPolarHBondContact O-CG 3.36Å; L694-Q696 PolarHBondContact O-N 3.41Å
697S56.8Low81.4Confident121 Ų12147.1 Ų47.185%0.84624%0.238SC*.G310 helixtrans-104.58.4176.357.60000114.9R695R695-S697 PolarHBondContact O-N 3.36Å
698S66.6Low80.6Confident26 Ų2646 Ų4618%0.18224%0.235CC..SBendtrans-130.2156.5-172.275.70000112.1R695 L700R695-S698 WeakPolarHBondContact CA-OG 3.46Å; R695-S698 PolarHBondContact O-N 2.91Å; R695-S698 VanDerWaalsContact O-O 3.09Å; R695-S698 PolarHBondContact O-OG 3.5Å; S698-L700 PolarHBondContact O-N 2.97Å; S698-L700 WeakPolarHBondContact OG-CB 3.19Å; S698-L700 PolarHBondContact OG-N 3.18Å
699H71.1Confident79.5Confident124 Ų12446.6 Ų46.657%0.57424%0.238SC*.  trans-87.216172-57.2-66.3000113.2
700L81.8Confident78.3Confident3 Ų351.9 Ų51.92%0.01626%0.258CS..PPolyproline II helixtrans-66.6133.7-175.5-176.371.2000110.5F655 C658 L661 R695 S698 L702F655-L700 HydrophobicContact CD1-CB 4.21Å; F655-L700 HydrophobicContact CD1-CD2 3.43Å; F655-L700 VanDerWaalsContact CD1-CD2 3.43Å; F655-L700 HydrophobicContact CD1-CG 4.45Å; F655-L700 HydrophobicContact CD2-CD2 4.35Å; F655-L700 HydrophobicContact CE1-CD2 3.48Å; F655-L700 VanDerWaalsContact CE1-CD2 3.48Å; F655-L700 HydrophobicContact CE2-CD2 4.47Å; F655-L700 HydrophobicContact CG-CD2 3.92Å; F655-L700 HydrophobicContact CZ-CD2 4.07Å; C658-L700 HydrophobicContact CB-CD1 3.8Å; C658-L700 WeakPolarHBondContact O-CD1 3.41Å; L661-L700 HydrophobicContact CB-CD1 4.11Å; L661-L700 HydrophobicContact CB-CD2 3.98Å; L661-L700 HydrophobicContact CB-CG 4.25Å; L661-L700 HydrophobicContact CD2-CD2 4.2Å; R695-L700 WeakPolarHBondContact CD-O 3.49Å; R695-L700 HydrophobicContact CG-CB 4.48Å; S698-L700 PolarHBondContact O-N 2.97Å; S698-L700 WeakPolarHBondContact OG-CB 3.19Å; S698-L700 PolarHBondContact OG-N 3.18Å; L700-L702 HydrophobicContact CD2-CD2 4.17Å
701K87.5Confident77.1Confident27 Ų2751.5 Ų51.512%0.11725%0.251CS..EExtended strand (participates in β ladder)trans-98134.6171.3-77.9172.9169.9179.40111.5T659 H660 L661 D741 E782T659-K701 PolarHBondContact O-N 2.91Å; H660-K701 CarbonylContact C-O 3.59Å; H660-K701 VanDerWaalsContact CA-O 3.28Å; H660-K701 WeakPolarHBondContact CA-O 3.22Å; H660-K701 WeakPolarHBondContact CD2-CB 3.42Å; H660-K701 WeakPolarHBondContact NE2-CD 3.48Å; L661-K701 PolarHBondContact N-O 3.44Å; K701-D741 WeakPolarHBondContact CA-OD2 3.5Å; K701-D741 HydrophobicContact CB-CB 4.15Å; K701-D741 HydrophobicContact CG-CB 4.13Å; K701-E782 IonicContact NZ-OE1 2.81Å; K701-E782 PolarHBondContact NZ-OE1 3.47Å
702L90.5Very high75.8Confident0 Ų052.2 Ų52.20%025%0.253CS..EExtended strand (participates in β ladder)trans-96.1124.9175.8-60.2-175.7000110.1L661 L691 N692 L700 V740 D741 G742L661-L702 HydrophobicContact CB-CD2 3.99Å; L661-L702 HydrophobicContact CD2-CD2 4Å; L661-L702 HydrophobicContact CG-CD2 4.44Å; L691-L702 HydrophobicContact CB-CD1 3.97Å; L691-L702 HydrophobicContact CB-CD2 4.35Å; L691-L702 HydrophobicContact CD1-CD2 4.45Å; N692-L702 WeakPolarHBondContact OD1-CD1 3.46Å; L700-L702 HydrophobicContact CD2-CD2 4.17Å; L702-V740 HydrophobicContact CB-CG1 4.41Å; L702-D741 PolarHBondContact N-OD2 3.45Å; L702-D741 PolarHBondContact O-N 3.18Å; L702-G742 PolarHBondContact O-N 2.91Å
703I93.1Very high74.2Confident1 Ų156.9 Ų56.91%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-118.2126.5-178.6-53.8-61.4000109.3H660 L661 S662 I663 G742 E744 E782H660-I703 HydrophobicContact CB-CG1 4.45Å; L661-I703 PolarHBondContact O-N 3.45Å; S662-I703 CarbonylContact C-O 3.5Å; S662-I703 WeakPolarHBondContact CA-O 3.5Å; I663-I703 PolarHBondContact N-O 3.39Å; I703-G742 WeakPolarHBondContact CA-O 3.12Å; I703-E744 HydrophobicContact CG2-CB 3.82Å; I703-E782 HydrophobicContact CD1-CB 4.47Å
704A93.5Very high72.9Confident0 Ų054.5 Ų54.50%029%0.291CS..EExtended strand (participates in β ladder)trans-82118.817400000110.2F666 L735 V740 G742 V743 E744F666-A704 HydrophobicContact CD1-CB 4.31Å; F666-A704 HydrophobicContact CD2-CB 3.75Å; F666-A704 HydrophobicContact CE1-CB 4.24Å; F666-A704 HydrophobicContact CE2-CB 3.65Å; F666-A704 HydrophobicContact CG-CB 4.09Å; F666-A704 HydrophobicContact CZ-CB 3.91Å; A704-L735 HydrophobicContact CB-CD2 3.95Å; A704-V740 HydrophobicContact CB-CG2 4.41Å; A704-G742 PolarHBondContact N-O 2.99Å; A704-V743 CarbonylContact O-C 3.52Å; A704-V743 WeakPolarHBondContact O-CA 3.47Å; A704-E744 PolarHBondContact O-N 2.84Å
705V91.9Very high72Confident2 Ų253.6 Ų53.61%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-91.2111.2177.6-172.50000109.8Y637 I663 F664 F666 E744Y637-V705 HydrophobicContact CD1-CG2 4.13Å; Y637-V705 HydrophobicContact CE1-CG2 3.93Å; I663-V705 WeakPolarHBondContact O-CB 3.21Å; I663-V705 PolarHBondContact O-N 3.43Å; F664-V705 HydrophobicContact CD1-CB 3.9Å; F664-V705 HydrophobicContact CD1-CG1 3.65Å; F664-V705 HydrophobicContact CE1-CB 4.08Å; F664-V705 HydrophobicContact CE1-CG1 3.41Å; F664-V705 VanDerWaalsContact CE1-CG1 3.41Å; F664-V705 HydrophobicContact CG-CB 4.48Å; F664-V705 HydrophobicContact CZ-CG1 4.23Å; F666-V705 WeakPolarHBondContact CB-O 3.32Å; V705-E744 CarbonylContact C-O 3.48Å; V705-E744 WeakPolarHBondContact CA-O 3.45Å
706V87.9Confident70.8Confident1 Ų155.9 Ų55.91%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-101118.7-176.8-176.50000109.5F666 I668 L678 T708 V743 E744 F745 Q746F666-V706 HydrophobicContact CB-CG2 3.91Å; F666-V706 WeakPolarHBondContact O-CA 3.09Å; I668-V706 HydrophobicContact CD1-CG1 3.8Å; I668-V706 HydrophobicContact CG1-CG1 3.72Å; L678-V706 HydrophobicContact CD1-CG1 4.17Å; L678-V706 HydrophobicContact CD1-CG2 3.82Å; V706-T708 PolarHBondContact O-N 3.32Å; V706-V743 HydrophobicContact CB-CG2 4.37Å; V706-V743 HydrophobicContact CG2-CG2 3.53Å; V706-E744 PolarHBondContact N-O 3.16Å; V706-F745 HydrophobicContact CB-CD1 4.12Å; V706-F745 HydrophobicContact CB-CE1 4.19Å; V706-F745 HydrophobicContact CG1-CD1 4.25Å; V706-F745 HydrophobicContact CG1-CE1 4.15Å; V706-F745 WeakPolarHBondContact O-CA 3.38Å; V706-Q746 PolarHBondContact O-N 2.88Å
707K78.3Confident70.5Confident78 Ų7855.7 Ų55.734%0.33931%0.313SS..EExtended strand (participates in β ladder)trans-74.9128.4176.1-171.2177.7173.6-162.70110.2F666 Y829F666-K707 PolarHBondContact O-N 2.94Å; F666-K707 VanDerWaalsContact O-N 3.16Å; K707-Y829 VanDerWaalsContact NZ-CZ 3.33Å; K707-Y829 PolarHBondContact NZ-OH 3.33Å
708T68.7Low70.6Confident20 Ų2055.7 Ų55.712%0.12331%0.311CS..PPolyproline II helixtrans-70.9131.4178.156.60000111.2V706 K710 F745 Q746 L747 W759V706-T708 PolarHBondContact O-N 3.32Å; T708-K710 PolarHBondContact O-N 3Å; T708-F745 HydrophobicContact CG2-CB 4.26Å; T708-F745 HydrophobicContact CG2-CD1 4.39Å; T708-Q746 WeakPolarHBondContact CB-O 3.36Å; T708-Q746 VanDerWaalsContact CG2-O 3.3Å; T708-Q746 WeakPolarHBondContact CG2-O 3.39Å; T708-Q746 PolarHBondContact N-O 2.88Å; T708-Q746 PolarHBondContact OG1-O 3.34Å; T708-L747 HydrophobicContact CG2-CD2 3.65Å; T708-L747 HydrophobicContact CG2-CG 4.42Å; T708-W759 HydrophobicContact CG2-CZ2 3.92Å
709P62.8Low70.7Confident12 Ų1256 Ų568%0.07831%0.31CS..PPolyproline II helixtrans-70.1131.3-177.922-28.3000111.4I668 W711I668-P709 HydrophobicContact CB-CG 4.46Å; P709-W711 HydrophobicContact CB-CD2 3.9Å; P709-W711 HydrophobicContact CB-CG 4.04Å; P709-W711 HydrophobicContact CB-CH2 4.44Å; P709-W711 HydrophobicContact CB-CZ2 3.57Å; P709-W711 HydrophobicContact CG-CH2 4.37Å; P709-W711 HydrophobicContact CG-CZ2 3.83Å; P709-W711 PolarHBondContact O-N 3.26Å
710K63.4Low70.9Confident182 Ų18254.2 Ų54.279%0.79130%0.304SS*.G310 helixtrans-64.8-27.3168.7-71.7-168.7176.2-170.70112.3T708 Y712T708-K710 PolarHBondContact O-N 3Å; K710-Y712 VanDerWaalsContact C-N 3.33Å; K710-Y712 PolarHBondContact O-N 3.22Å
711W58.8Low70.8Confident71 Ų7159.3 Ų59.327%0.26933%0.331SS..G310 helixtrans-82.71.3-174.759.7-100.5000114.3I668 P670 L676 P709 S713 A714 I715I668-W711 HydrophobicContact CG2-CH2 4.46Å; I668-W711 HydrophobicContact CG2-CZ2 4.29Å; I668-W711 WeakPolarHBondContact O-CZ2 3.38Å; P670-W711 HydrophobicContact CB-CH2 4.43Å; P670-W711 HydrophobicContact CB-CZ3 4.47Å; P670-W711 HydrophobicContact CG-CZ2 4.44Å; L676-W711 HydrophobicContact CD1-CH2 3.68Å; L676-W711 HydrophobicContact CD1-CZ3 4.35Å; L676-W711 HydrophobicContact CD2-CH2 3.27Å; L676-W711 HydrophobicContact CD2-CZ2 4.25Å; L676-W711 HydrophobicContact CD2-CZ3 3.82Å; L676-W711 HydrophobicContact CG-CH2 4.09Å; P709-W711 HydrophobicContact CB-CD2 3.9Å; P709-W711 HydrophobicContact CB-CG 4.04Å; P709-W711 HydrophobicContact CB-CH2 4.44Å; P709-W711 HydrophobicContact CB-CZ2 3.57Å; P709-W711 HydrophobicContact CG-CH2 4.37Å; P709-W711 HydrophobicContact CG-CZ2 3.83Å; P709-W711 PolarHBondContact O-N 3.26Å; W711-S713 PolarHBondContact O-N 3.27Å; W711-S713 VanDerWaalsContact O-N 3.15Å; W711-A714 HydrophobicContact CB-CB 4.32Å; W711-A714 WeakPolarHBondContact O-CA 3.42Å; W711-A714 VanDerWaalsContact O-CB 3.28Å; W711-A714 WeakPolarHBondContact O-CB 3.26Å; W711-A714 PolarHBondContact O-N 2.94Å; W711-I715 HydrophobicContact CE3-CD1 4.18Å; W711-I715 HydrophobicContact CE3-CG1 3.78Å; W711-I715 HydrophobicContact CH2-CD1 4.38Å; W711-I715 HydrophobicContact CZ3-CD1 3.51Å; W711-I715 HydrophobicContact CZ3-CG1 3.53Å; W711-I715 PolarHBondContact O-N 3Å
712Y55.5Low70.5Confident18 Ų1866.5 Ų66.57%0.07136%0.358CS..G310 helixtrans-59.1-29.9-179.7-168.1-95.8000112.6K710 A714 I715 I719 W723 D758 W759K710-Y712 VanDerWaalsContact C-N 3.33Å; K710-Y712 PolarHBondContact O-N 3.22Å; Y712-A714 VanDerWaalsContact C-N 3.3Å; Y712-I715 HydrophobicContact CD2-CD1 3.56Å; Y712-I715 HydrophobicContact CE2-CD1 3.83Å; Y712-I715 HydrophobicContact CG-CD1 4.11Å; Y712-I715 WeakPolarHBondContact O-CG1 3.37Å; Y712-I719 HydrophobicContact CE1-CD1 3.8Å; Y712-W723 AromaticContact CE2-CH2 3.94Å; Y712-W723 HydrophobicContact CE2-CH2 3.94Å; Y712-W723 HydrophobicContact CE2-CZ3 4.32Å; Y712-D758 HydrophobicContact CE1-CB 4.12Å; Y712-W759 HydrophobicContact CD1-CB 4.45Å; Y712-W759 AromaticContact CD2-CE3 3.91Å; Y712-W759 HydrophobicContact CD2-CE3 3.91Å; Y712-W759 HydrophobicContact CD2-CZ3 4.22Å; Y712-W759 HydrophobicContact CE1-CB 4Å; Y712-W759 HydrophobicContact CE1-CE3 4.41Å; Y712-W759 AromaticContact CE2-CE3 3.67Å; Y712-W759 HydrophobicContact CE2-CE3 3.67Å; Y712-W759 HydrophobicContact CE2-CZ3 4.11Å; Y712-W759 HydrophobicContact CG-CE3 4.38Å; Y712-W759 AromaticContact CZ-CE3 3.94Å
713S53.1Low70Confident117 Ų11768.6 Ų68.682%0.81837%0.365SS*.G310 helixtrans-72.6-18.9170.652.60000114.2W711 I715W711-S713 PolarHBondContact O-N 3.27Å; W711-S713 VanDerWaalsContact O-N 3.15Å; S713-I715 VanDerWaalsContact C-N 3.32Å
714A53.2Low69.5Low78 Ų7869.3 Ų69.365%0.64537%0.369SS*.G310 helixtrans-87.91178.100000112.9W711 Y712 G716W711-A714 HydrophobicContact CB-CB 4.32Å; W711-A714 WeakPolarHBondContact O-CA 3.42Å; W711-A714 VanDerWaalsContact O-CB 3.28Å; W711-A714 WeakPolarHBondContact O-CB 3.26Å; W711-A714 PolarHBondContact O-N 2.94Å; Y712-A714 VanDerWaalsContact C-N 3.3Å; A714-G716 VanDerWaalsContact C-N 3.27Å; A714-G716 PolarHBondContact O-N 3.21Å
715I57.2Low69.1Low37 Ų3772.9 Ų72.919%0.1939%0.391CS..  trans-70.987.5170.8-54173.7000107.4W711 Y712 S713 R717 W723W711-I715 HydrophobicContact CE3-CD1 4.18Å; W711-I715 HydrophobicContact CE3-CG1 3.78Å; W711-I715 HydrophobicContact CH2-CD1 4.38Å; W711-I715 HydrophobicContact CZ3-CD1 3.51Å; W711-I715 HydrophobicContact CZ3-CG1 3.53Å; W711-I715 PolarHBondContact O-N 3Å; Y712-I715 HydrophobicContact CD2-CD1 3.56Å; Y712-I715 HydrophobicContact CE2-CD1 3.83Å; Y712-I715 HydrophobicContact CG-CD1 4.11Å; Y712-I715 WeakPolarHBondContact O-CG1 3.37Å; S713-I715 VanDerWaalsContact C-N 3.32Å; I715-R717 PolarHBondContact O-N 3.21Å; I715-W723 HydrophobicContact CD1-CH2 4.02Å; I715-W723 HydrophobicContact CD1-CZ2 4.06Å
716G50.3Low68.8Low84 Ų8476 Ų7687%0.86641%0.405SS*.  trans-7025.7-178.300000115.3A714A714-G716 VanDerWaalsContact C-N 3.27Å; A714-G716 PolarHBondContact O-N 3.21Å
717R58Low68.6Low167 Ų16776 Ų7663%0.6341%0.405SS*.SBendtrans-121.5144.2178.5-57.3-172.5-168.3-171.82.5109.6I715 I719I715-R717 PolarHBondContact O-N 3.21Å; R717-I719 PolarHBondContact O-N 3.36Å
718P58.5Low69Low122 Ų12272.6 Ų72.679%0.79239%0.391SS*.  trans-54.2123.5170.5-19.630000109.7D720P718-D720 VanDerWaalsContact C-N 3.32Å; P718-D720 PolarHBondContact O-N 3.41Å
719I69.3Low70Confident31 Ų3173.9 Ų73.916%0.15940%0.395CS..  trans-80.583.8-179-50.4-175.9000108.2Y712 R717 W723 K724 D758Y712-I719 HydrophobicContact CE1-CD1 3.8Å; R717-I719 PolarHBondContact O-N 3.36Å; I719-W723 HydrophobicContact CG2-CD2 4.25Å; I719-W723 HydrophobicContact CG2-CE3 3.41Å; I719-W723 VanDerWaalsContact CG2-CE3 3.41Å; I719-W723 HydrophobicContact CG2-CZ3 3.59Å; I719-K724 HydrophobicContact CG2-CD 4.16Å; I719-K724 HydrophobicContact CG2-CG 3.76Å; I719-K724 WeakPolarHBondContact O-CE 3.36Å; I719-D758 HydrophobicContact CD1-CB 3.82Å
720D75Confident71.2Confident87 Ų8775.6 Ų75.647%0.46540%0.404SS..  trans-74.5166.1-179.774.326.9000113.2P718 R722 W723 K724P718-D720 VanDerWaalsContact C-N 3.32Å; P718-D720 PolarHBondContact O-N 3.41Å; D720-R722 VanDerWaalsContact C-N 3.27Å; D720-R722 PolarHBondContact O-N 3.42Å; D720-R722 WeakPolarHBondContact OD1-CB 3.48Å; D720-R722 PolarHBondContact OD1-N 2.9Å; D720-R722 VanDerWaalsContact OD1-N 3.09Å; D720-W723 PolarHBondContact O-N 2.94Å; D720-W723 VanDerWaalsContact OD1-CB 3.29Å; D720-W723 WeakPolarHBondContact OD1-CB 3.39Å; D720-W723 PolarHBondContact OD1-N 3.06Å; D720-K724 WeakPolarHBondContact O-CG 3.39Å; D720-K724 PolarHBondContact O-N 3.06Å; D720-K724 VanDerWaalsContact O-N 3.17Å
721L81Confident72.4Confident111 Ų11167 Ų6758%0.58137%0.367SS*.Hα-helixtrans-63.5-32.8-178.3-176.765.4000112.5K724 T725 L765L721-K724 PolarHBondContact O-N 3.38Å; L721-T725 WeakPolarHBondContact O-CB 3.4Å; L721-T725 PolarHBondContact O-N 2.93Å; L721-T725 PolarHBondContact O-OG1 3.13Å; L721-L765 HydrophobicContact CD1-CD1 4.37Å
722R81.5Confident73.9Confident177 Ų17763.7 Ų63.767%0.66835%0.354SS*.Hα-helixtrans-66-47.6180-178.8-179.6179.71625110.3D720 K724 T725 E726D720-R722 VanDerWaalsContact C-N 3.27Å; D720-R722 PolarHBondContact O-N 3.42Å; D720-R722 WeakPolarHBondContact OD1-CB 3.48Å; D720-R722 PolarHBondContact OD1-N 2.9Å; D720-R722 VanDerWaalsContact OD1-N 3.09Å; R722-K724 VanDerWaalsContact C-N 3.33Å; R722-K724 PolarHBondContact O-N 3.46Å; R722-T725 PolarHBondContact O-N 2.88Å; R722-E726 HydrophobicContact CG-CG 4.48Å; R722-E726 IonicContact CZ-OE1 3.83Å; R722-E726 IonicContact NE-OE1 2.98Å; R722-E726 PolarHBondContact NE-OE1 3.33Å; R722-E726 IonicContact NH2-OE1 3.78Å; R722-E726 WeakPolarHBondContact O-CG 3.29Å; R722-E726 PolarHBondContact O-N 2.86Å
723W80.1Confident75.4Confident44 Ų4467.9 Ų67.917%0.16737%0.373CS..Hα-helixtrans-59-43.9176.5-176.594.1000111.8G674 L676 Y712 I715 I719 D720 T727 L762G674-W723 PolarHBondContact O-NE1 3.22Å; L676-W723 HydrophobicContact CD1-CH2 3.34Å; L676-W723 HydrophobicContact CD1-CZ2 3.45Å; L676-W723 VanDerWaalsContact CD1-CZ2 3.45Å; L676-W723 HydrophobicContact CD2-CZ2 4.21Å; L676-W723 HydrophobicContact CG-CH2 3.91Å; L676-W723 HydrophobicContact CG-CZ2 3.48Å; L676-W723 VanDerWaalsContact CG-CZ2 3.48Å; Y712-W723 AromaticContact CE2-CH2 3.94Å; Y712-W723 HydrophobicContact CE2-CH2 3.94Å; Y712-W723 HydrophobicContact CE2-CZ3 4.32Å; I715-W723 HydrophobicContact CD1-CH2 4.02Å; I715-W723 HydrophobicContact CD1-CZ2 4.06Å; I719-W723 HydrophobicContact CG2-CD2 4.25Å; I719-W723 HydrophobicContact CG2-CE3 3.41Å; I719-W723 VanDerWaalsContact CG2-CE3 3.41Å; I719-W723 HydrophobicContact CG2-CZ3 3.59Å; D720-W723 PolarHBondContact O-N 2.94Å; D720-W723 VanDerWaalsContact OD1-CB 3.29Å; D720-W723 WeakPolarHBondContact OD1-CB 3.39Å; D720-W723 PolarHBondContact OD1-N 3.06Å; W723-T727 VanDerWaalsContact O-CB 3.26Å; W723-T727 WeakPolarHBondContact O-CB 3.38Å; W723-T727 PolarHBondContact O-N 2.81Å; W723-T727 PolarHBondContact O-OG1 3.35Å; W723-L762 HydrophobicContact CH2-CD1 4.38Å; W723-L762 HydrophobicContact CZ3-CD1 3.75Å
724K81.9Confident77.2Confident17 Ų1764 Ų647%0.07434%0.341CS..Hα-helixtrans-62.1-45.1176.8-66.6177.9-174.4171.70110.8I719 D720 L721 R722 T727 T728 D758 H761 L765I719-K724 HydrophobicContact CG2-CD 4.16Å; I719-K724 HydrophobicContact CG2-CG 3.76Å; I719-K724 WeakPolarHBondContact O-CE 3.36Å; D720-K724 WeakPolarHBondContact O-CG 3.39Å; D720-K724 PolarHBondContact O-N 3.06Å; D720-K724 VanDerWaalsContact O-N 3.17Å; L721-K724 PolarHBondContact O-N 3.38Å; R722-K724 VanDerWaalsContact C-N 3.33Å; R722-K724 PolarHBondContact O-N 3.46Å; K724-T727 PolarHBondContact O-N 3.18Å; K724-T728 WeakPolarHBondContact O-CB 3.35Å; K724-T728 PolarHBondContact O-N 2.96Å; K724-T728 PolarHBondContact O-OG1 2.98Å; K724-T728 VanDerWaalsContact O-OG1 3.07Å; K724-D758 WeakPolarHBondContact CE-OD1 3.4Å; K724-D758 IonicContact NZ-OD1 2.76Å; K724-D758 PolarHBondContact NZ-OD1 3.12Å; K724-H761 HydrophobicContact CD-CB 4.5Å; K724-H761 VanDerWaalsContact CD-ND1 3.31Å; K724-H761 WeakPolarHBondContact CD-ND1 3.27Å; K724-L765 HydrophobicContact CB-CD1 3.72Å
725T85.4Confident79Confident75 Ų7560.2 Ų60.246%0.4631%0.311SS..Hα-helixtrans-65.9-46.3-179.7-530000112.3L721 R722 T727 T728 E729L721-T725 WeakPolarHBondContact O-CB 3.4Å; L721-T725 PolarHBondContact O-N 2.93Å; L721-T725 PolarHBondContact O-OG1 3.13Å; R722-T725 PolarHBondContact O-N 2.88Å; T725-T727 VanDerWaalsContact C-N 3.32Å; T725-T727 PolarHBondContact O-N 2.77Å; T725-T728 PolarHBondContact O-N 2.96Å; T725-E729 WeakPolarHBondContact O-CB 3.42Å; T725-E729 PolarHBondContact O-N 2.52Å
726E84.2Confident80.5Confident67 Ų6761.3 Ų61.331%0.31332%0.319SS..Hα-helixtrans-62-41.3176.7-73.2-176.7-162.800111.3R722 E729 N730R722-E726 HydrophobicContact CG-CG 4.48Å; R722-E726 IonicContact CZ-OE1 3.83Å; R722-E726 IonicContact NE-OE1 2.98Å; R722-E726 PolarHBondContact NE-OE1 3.33Å; R722-E726 IonicContact NH2-OE1 3.78Å; R722-E726 WeakPolarHBondContact O-CG 3.29Å; R722-E726 PolarHBondContact O-N 2.86Å; E726-E729 PolarHBondContact O-N 3.44Å; E726-N730 PolarHBondContact O-N 3.09Å; E726-N730 PolarHBondContact O-ND2 2.83Å
727T83.5Confident82.4Confident2 Ų263.8 Ų63.81%0.01231%0.306CS..Hα-helixtrans-64.8-47176.8-62.70000111.8L676 W723 K724 T725 E729 N730 I731 L762L676-T727 HydrophobicContact CB-CG2 3.8Å; L676-T727 HydrophobicContact CD1-CG2 4.25Å; L676-T727 HydrophobicContact CG-CG2 4.37Å; W723-T727 VanDerWaalsContact O-CB 3.26Å; W723-T727 WeakPolarHBondContact O-CB 3.38Å; W723-T727 PolarHBondContact O-N 2.81Å; W723-T727 PolarHBondContact O-OG1 3.35Å; K724-T727 PolarHBondContact O-N 3.18Å; T725-T727 VanDerWaalsContact C-N 3.32Å; T725-T727 PolarHBondContact O-N 2.77Å; T727-E729 VanDerWaalsContact C-N 3.26Å; T727-E729 PolarHBondContact O-N 3.46Å; T727-N730 PolarHBondContact O-N 2.82Å; T727-I731 HydrophobicContact CG2-CD1 3.9Å; T727-I731 WeakPolarHBondContact O-CG1 3.23Å; T727-I731 PolarHBondContact O-N 3.28Å; T727-L762 HydrophobicContact CG2-CD1 3.88Å
728T88.5Confident83.9Confident6 Ų655.9 Ų55.94%0.03728%0.276CS..Hα-helixtrans-54.9-44.6174.6-72.10000111.1K724 T725 I731 A732 L765 L766 R769K724-T728 WeakPolarHBondContact O-CB 3.35Å; K724-T728 PolarHBondContact O-N 2.96Å; K724-T728 PolarHBondContact O-OG1 2.98Å; K724-T728 VanDerWaalsContact O-OG1 3.07Å; T725-T728 PolarHBondContact O-N 2.96Å; T728-I731 PolarHBondContact O-N 3.38Å; T728-A732 VanDerWaalsContact O-CB 3.27Å; T728-A732 WeakPolarHBondContact O-CB 3.4Å; T728-A732 PolarHBondContact O-N 3.12Å; T728-L765 HydrophobicContact CG2-CB 4.39Å; T728-L766 HydrophobicContact CG2-CB 4.29Å; T728-L766 HydrophobicContact CG2-CD1 4.18Å; T728-R769 HydrophobicContact CG2-CB 3.74Å; T728-R769 HydrophobicContact CG2-CG 4.12Å
729E89.6Confident85.4Confident46 Ų4653.4 Ų53.422%0.21526%0.256CS..Hα-helixtrans-68.9-36.9-178.2-166.662.6-177.200112.8T725 E726 T727 K733 R769T725-E729 WeakPolarHBondContact O-CB 3.42Å; T725-E729 PolarHBondContact O-N 2.52Å; E726-E729 PolarHBondContact O-N 3.44Å; T727-E729 VanDerWaalsContact C-N 3.26Å; T727-E729 PolarHBondContact O-N 3.46Å; E729-K733 HydrophobicContact CG-CD 4.16Å; E729-K733 WeakPolarHBondContact O-CB 3.35Å; E729-K733 VanDerWaalsContact O-CG 3.26Å; E729-K733 WeakPolarHBondContact O-CG 2.97Å; E729-K733 PolarHBondContact O-N 3.24Å; E729-K733 VanDerWaalsContact OE1-CE 3.29Å; E729-K733 WeakPolarHBondContact OE1-CE 3.28Å; E729-K733 IonicContact OE1-NZ 3.85Å; E729-R769 IonicContact OE1-CZ 3.64Å; E729-R769 IonicContact OE1-NE 3.67Å; E729-R769 IonicContact OE1-NH2 2.77Å; E729-R769 PolarHBondContact OE1-NH2 3.06Å; E729-R769 IonicContact OE2-CZ 3.41Å; E729-R769 IonicContact OE2-NE 2.7Å; E729-R769 PolarHBondContact OE2-NE 3.43Å; E729-R769 IonicContact OE2-NH2 3.34Å; E729-R769 PolarHBondContact OE2-NH2 3.09Å
730N86.8Confident86.4Confident48 Ų4852 Ų5226%0.25725%0.249SC..Hα-helixtrans-63.5-47.4174.8-69.1-21.2000111.7L676 E726 T727 E734L676-N730 PolarHBondContact O-ND2 2.79Å; E726-N730 PolarHBondContact O-N 3.09Å; E726-N730 PolarHBondContact O-ND2 2.83Å; T727-N730 PolarHBondContact O-N 2.82Å; N730-E734 PolarHBondContact O-N 3.37Å; N730-E734 VanDerWaalsContact O-N 3.14Å
731I88.5Confident87.1Confident3 Ų348.8 Ų48.82%0.01523%0.232CC..Hα-helixtrans-63-48.3178.9-65.1170000109.9I668 T727 T728 K733 E734 L735 L766I668-I731 HydrophobicContact CD1-CD1 4.23Å; T727-I731 HydrophobicContact CG2-CD1 3.9Å; T727-I731 WeakPolarHBondContact O-CG1 3.23Å; T727-I731 PolarHBondContact O-N 3.28Å; T728-I731 PolarHBondContact O-N 3.38Å; I731-K733 PolarHBondContact O-N 3.05Å; I731-E734 PolarHBondContact O-N 3.29Å; I731-L735 HydrophobicContact CG2-CD1 3.98Å; I731-L735 HydrophobicContact CG2-CG 4.43Å; I731-L735 WeakPolarHBondContact O-CG 3.46Å; I731-L735 PolarHBondContact O-N 3.19Å; I731-L766 HydrophobicContact CB-CD1 4.31Å; I731-L766 HydrophobicContact CG2-CD1 4.02Å; I731-L766 HydrophobicContact CG2-CD2 4.1Å
732A90.2Very high87.7Confident0 Ų043.5 Ų43.50%020%0.204CC..Hα-helixtrans-61.3-42.9-178.700000112.3T728 L735 V736 L766 R769 L770 L773T728-A732 VanDerWaalsContact O-CB 3.27Å; T728-A732 WeakPolarHBondContact O-CB 3.4Å; T728-A732 PolarHBondContact O-N 3.12Å; A732-L735 PolarHBondContact O-N 2.94Å; A732-V736 WeakPolarHBondContact O-CG2 3.45Å; A732-V736 PolarHBondContact O-N 2.96Å; A732-V736 VanDerWaalsContact O-N 3.08Å; A732-L766 HydrophobicContact CB-CD1 4.3Å; A732-R769 HydrophobicContact CB-CG 4.01Å; A732-L770 HydrophobicContact CB-CD2 4.4Å; A732-L773 HydrophobicContact CB-CD1 3.76Å
733K88.2Confident88.3Confident107 Ų10735 Ų3547%0.46517%0.172SC..Hα-helixtrans-62.5-43.5176.5-78.3173.6178.5168.50112.5E729 I731 V736 K737E729-K733 HydrophobicContact CG-CD 4.16Å; E729-K733 WeakPolarHBondContact O-CB 3.35Å; E729-K733 VanDerWaalsContact O-CG 3.26Å; E729-K733 WeakPolarHBondContact O-CG 2.97Å; E729-K733 PolarHBondContact O-N 3.24Å; E729-K733 VanDerWaalsContact OE1-CE 3.29Å; E729-K733 WeakPolarHBondContact OE1-CE 3.28Å; E729-K733 IonicContact OE1-NZ 3.85Å; I731-K733 PolarHBondContact O-N 3.05Å; K733-V736 PolarHBondContact O-N 3.08Å; K733-K737 VanDerWaalsContact O-CG 3.31Å; K733-K737 WeakPolarHBondContact O-CG 3.21Å; K733-K737 PolarHBondContact O-N 2.7Å
734E89.8Confident88.9Confident34 Ų3433 Ų3316%0.15916%0.164CC..Hα-helixtrans-66.7-40.5178.3-74.5-54.9124.600112.2L678 R685 N730 I731 V736 K737 L738L678-E734 HydrophobicContact CB-CB 4.24Å; L678-E734 HydrophobicContact CD2-CB 4.22Å; R685-E734 IonicContact CZ-OE2 2.62Å; R685-E734 IonicContact NH1-OE2 3.32Å; R685-E734 IonicContact NH2-OE2 2.95Å; R685-E734 PolarHBondContact NH2-OE2 3.46Å; N730-E734 PolarHBondContact O-N 3.37Å; N730-E734 VanDerWaalsContact O-N 3.14Å; I731-E734 PolarHBondContact O-N 3.29Å; E734-V736 VanDerWaalsContact C-N 3.33Å; E734-V736 PolarHBondContact O-N 2.84Å; E734-K737 PolarHBondContact O-N 2.96Å; E734-K737 WeakPolarHBondContact OE1-CD 3.48Å; E734-K737 IonicContact OE1-NZ 2.74Å; E734-K737 PolarHBondContact OE1-NZ 2.83Å; E734-L738 VanDerWaalsContact O-CG 3.3Å; E734-L738 WeakPolarHBondContact O-CG 3.2Å; E734-L738 PolarHBondContact O-N 3.48Å
735L90.9Very high89.3Confident0 Ų032.2 Ų32.20%016%0.161CC..Hα-helixtrans-60-42174.7-68.5172.4000112.1L678 A704 I731 A732 L738 N739 V740 V743 L770L678-L735 HydrophobicContact CD2-CD2 3.88Å; L678-L735 HydrophobicContact CD2-CG 4.2Å; A704-L735 HydrophobicContact CB-CD2 3.95Å; I731-L735 HydrophobicContact CG2-CD1 3.98Å; I731-L735 HydrophobicContact CG2-CG 4.43Å; I731-L735 WeakPolarHBondContact O-CG 3.46Å; I731-L735 PolarHBondContact O-N 3.19Å; A732-L735 PolarHBondContact O-N 2.94Å; L735-L738 PolarHBondContact O-N 3.28Å; L735-N739 PolarHBondContact O-N 2.84Å; L735-V740 HydrophobicContact CB-CG2 4.25Å; L735-V740 HydrophobicContact CD2-CG2 3.88Å; L735-V743 HydrophobicContact CD1-CB 3.99Å; L735-V743 HydrophobicContact CD1-CG1 4.12Å; L735-V743 HydrophobicContact CD1-CG2 4.39Å; L735-V743 HydrophobicContact CD2-CB 4.26Å; L735-V743 HydrophobicContact CD2-CG2 4.42Å; L735-L770 HydrophobicContact CD1-CD1 4.48Å; L735-L770 HydrophobicContact CD1-CD2 4.18Å
736V89Confident89.2Confident60 Ų6030.1 Ų30.136%0.36415%0.146SC..Hα-helixtrans-64.2-44.4175.2171.90000111.3A732 K733 E734 L738 N739 L773 F781A732-V736 WeakPolarHBondContact O-CG2 3.45Å; A732-V736 PolarHBondContact O-N 2.96Å; A732-V736 VanDerWaalsContact O-N 3.08Å; K733-V736 PolarHBondContact O-N 3.08Å; E734-V736 VanDerWaalsContact C-N 3.33Å; E734-V736 PolarHBondContact O-N 2.84Å; V736-L738 VanDerWaalsContact C-N 3.29Å; V736-L738 PolarHBondContact O-N 3.39Å; V736-N739 PolarHBondContact O-N 3.04Å; V736-L773 HydrophobicContact CG2-CD1 4.08Å; V736-F781 HydrophobicContact CG2-CE2 4.05Å; V736-F781 HydrophobicContact CG2-CZ 3.9Å
737K89.7Confident88.7Confident136 Ų13627.2 Ų27.259%0.59113%0.133SC*.Hα-helixtrans-61.9-34.9178.1-74.6176-170172.50113.1K733 E734 N739K733-K737 VanDerWaalsContact O-CG 3.31Å; K733-K737 WeakPolarHBondContact O-CG 3.21Å; K733-K737 PolarHBondContact O-N 2.7Å; E734-K737 PolarHBondContact O-N 2.96Å; E734-K737 WeakPolarHBondContact OE1-CD 3.48Å; E734-K737 IonicContact OE1-NZ 2.74Å; E734-K737 PolarHBondContact OE1-NZ 2.83Å; K737-N739 PolarHBondContact O-N 3.45Å
738L90Very high88.1Confident1 Ų128 Ų281%0.00514%0.141CC..THydrogen-bonded Turntrans-74-11.7176.7-69.1168.1000113.3F666 V680 R685 V688 N692 E734 L735 V736 V740F666-L738 HydrophobicContact CD1-CD1 4.31Å; F666-L738 HydrophobicContact CE1-CD1 3.57Å; F666-L738 HydrophobicContact CZ-CD1 4.4Å; V680-L738 HydrophobicContact CG1-CD2 4.03Å; V680-L738 HydrophobicContact CG2-CD1 4.05Å; R685-L738 HydrophobicContact CG-CD2 4.19Å; V688-L738 HydrophobicContact CG1-CB 4.41Å; V688-L738 WeakPolarHBondContact CG1-O 3.2Å; N692-L738 PolarHBondContact ND2-O 2.9Å; E734-L738 VanDerWaalsContact O-CG 3.3Å; E734-L738 WeakPolarHBondContact O-CG 3.2Å; E734-L738 PolarHBondContact O-N 3.48Å; L735-L738 PolarHBondContact O-N 3.28Å; V736-L738 VanDerWaalsContact C-N 3.29Å; V736-L738 PolarHBondContact O-N 3.39Å; L738-V740 HydrophobicContact CB-CG1 4.11Å; L738-V740 PolarHBondContact O-N 2.81Å
739N89.7Confident87.5Confident70 Ų7029.6 Ų29.637%0.37415%0.152SC..THydrogen-bonded Turntrans53.337.5-175.1-169.134.2000113.6N692 R695 L735 V736 K737N692-N739 PolarHBondContact OD1-O 2.93Å; R695-N739 PolarHBondContact NH2-O 3.08Å; R695-N739 VanDerWaalsContact NH2-O 3.08Å; L735-N739 PolarHBondContact O-N 2.84Å; V736-N739 PolarHBondContact O-N 3.04Å; K737-N739 PolarHBondContact O-N 3.45Å
740V91.2Very high86.7Confident0 Ų027.7 Ų27.70%014%0.143CC..  trans-79.9165.2169.3-640000110.5V688 L702 A704 L735 L738 R777 F781V688-V740 HydrophobicContact CG1-CG1 4.16Å; L702-V740 HydrophobicContact CB-CG1 4.41Å; A704-V740 HydrophobicContact CB-CG2 4.41Å; L735-V740 HydrophobicContact CB-CG2 4.25Å; L735-V740 HydrophobicContact CD2-CG2 3.88Å; L738-V740 HydrophobicContact CB-CG1 4.11Å; L738-V740 PolarHBondContact O-N 2.81Å; V740-R777 PolarHBondContact O-NH2 3.31Å; V740-F781 WeakPolarHBondContact O-CE1 3.28Å
741D90.1Very high86Confident20 Ų2026.9 Ų26.911%0.10714%0.141CC..SBendtrans-100.6-10.9179.3-52-61.2000113.2R695 K701 L702 R777 F781 E782R695-D741 IonicContact CZ-OD1 3.85Å; R695-D741 IonicContact CZ-OD2 3.12Å; R695-D741 IonicContact NH1-OD1 3.78Å; R695-D741 PolarHBondContact NH1-OD1 3.16Å; R695-D741 IonicContact NH1-OD2 3.24Å; R695-D741 PolarHBondContact NH1-OD2 3.26Å; R695-D741 IonicContact NH2-OD1 3.84Å; K701-D741 WeakPolarHBondContact CA-OD2 3.5Å; K701-D741 HydrophobicContact CB-CB 4.15Å; K701-D741 HydrophobicContact CG-CB 4.13Å; L702-D741 PolarHBondContact N-OD2 3.45Å; L702-D741 PolarHBondContact O-N 3.18Å; D741-R777 IonicContact OD1-NH2 3.49Å; D741-R777 PolarHBondContact OD1-NH2 2.95Å; D741-F781 WeakPolarHBondContact O-CA 3.42Å; D741-E782 PolarHBondContact O-N 3.03Å
742G92.3Very high85.3Confident0 Ų029.1 Ų29.10%015%0.153CC..EExtended strand (participates in β ladder)trans-173.2178.417900000113.9L702 I703 A704 E782L702-G742 PolarHBondContact O-N 2.91Å; I703-G742 WeakPolarHBondContact CA-O 3.12Å; A704-G742 PolarHBondContact N-O 2.99Å; G742-E782 CarbonylContact C-O 3.44Å; G742-E782 WeakPolarHBondContact CA-O 3.07Å
743V94Very high84.5Confident0 Ų029.2 Ų29.20%015%0.153CC..EExtended strand (participates in β ladder)trans-133.7135.3-179.762.20000109.7A704 V706 L735 F745 L770 E782 M783 S784A704-V743 CarbonylContact O-C 3.52Å; A704-V743 WeakPolarHBondContact O-CA 3.47Å; V706-V743 HydrophobicContact CB-CG2 4.37Å; V706-V743 HydrophobicContact CG2-CG2 3.53Å; L735-V743 HydrophobicContact CD1-CB 3.99Å; L735-V743 HydrophobicContact CD1-CG1 4.12Å; L735-V743 HydrophobicContact CD1-CG2 4.39Å; L735-V743 HydrophobicContact CD2-CB 4.26Å; L735-V743 HydrophobicContact CD2-CG2 4.42Å; V743-F745 HydrophobicContact CG1-CE2 3.85Å; V743-F745 HydrophobicContact CG1-CZ 4.41Å; V743-F745 HydrophobicContact CG2-CD2 4.47Å; V743-F745 HydrophobicContact CG2-CE2 3.91Å; V743-F745 HydrophobicContact CG2-CZ 3.99Å; V743-L770 HydrophobicContact CG1-CD1 4.02Å; V743-E782 PolarHBondContact N-O 2.67Å; V743-M783 HydrophobicContact CG1-CB 4.48Å; V743-M783 HydrophobicContact CG1-CG 4.17Å; V743-M783 WeakPolarHBondContact O-CA 2.9Å; V743-S784 PolarHBondContact O-N 3Å
744E93.6Very high83.4Confident0 Ų026.6 Ų26.60%015%0.152CC..EExtended strand (participates in β ladder)trans-118.4128.5173.2-173.6173.274.400110Q635 Y637 I703 A704 V705 V706 S784 A786 T811Q635-E744 PolarHBondContact NE2-OE1 3.19Å; Q635-E744 PolarHBondContact NE2-OE2 3.31Å; Y637-E744 WeakPolarHBondContact CE1-OE1 3.44Å; Y637-E744 PolarHBondContact OH-OE1 2.92Å; Y637-E744 PolarHBondContact OH-OE2 3.45Å; I703-E744 HydrophobicContact CG2-CB 3.82Å; A704-E744 PolarHBondContact O-N 2.84Å; V705-E744 CarbonylContact C-O 3.48Å; V705-E744 WeakPolarHBondContact CA-O 3.45Å; V706-E744 PolarHBondContact N-O 3.16Å; E744-S784 CarbonylContact C-O 3.55Å; E744-S784 WeakPolarHBondContact CA-O 3.29Å; E744-S784 VanDerWaalsContact CB-OG 3.26Å; E744-S784 WeakPolarHBondContact CB-OG 3.24Å; E744-S784 VanDerWaalsContact CG-OG 3.23Å; E744-S784 WeakPolarHBondContact CG-OG 3.17Å; E744-S784 PolarHBondContact OE2-OG 2.8Å; E744-A786 HydrophobicContact CG-CB 4.43Å; E744-T811 PolarHBondContact OE2-OG1 3.01Å
745F89.8Confident82.3Confident2 Ų232.6 Ų32.61%0.00918%0.18CC..EExtended strand (participates in β ladder)trans-94.9127.5176.4-67.1-87.5000110.3I668 V706 T708 V743 L747 W759 L763 L766 M783 S784 V785 A786 F807I668-F745 HydrophobicContact CD1-CE1 4.42Å; V706-F745 HydrophobicContact CB-CD1 4.12Å; V706-F745 HydrophobicContact CB-CE1 4.19Å; V706-F745 HydrophobicContact CG1-CD1 4.25Å; V706-F745 HydrophobicContact CG1-CE1 4.15Å; V706-F745 WeakPolarHBondContact O-CA 3.38Å; T708-F745 HydrophobicContact CG2-CB 4.26Å; T708-F745 HydrophobicContact CG2-CD1 4.39Å; V743-F745 HydrophobicContact CG1-CE2 3.85Å; V743-F745 HydrophobicContact CG1-CZ 4.41Å; V743-F745 HydrophobicContact CG2-CD2 4.47Å; V743-F745 HydrophobicContact CG2-CE2 3.91Å; V743-F745 HydrophobicContact CG2-CZ 3.99Å; F745-L747 PolarHBondContact O-N 2.89Å; F745-W759 HydrophobicContact CD1-CH2 4.45Å; F745-W759 AromaticContact CD1-CZ2 3.92Å; F745-W759 HydrophobicContact CD1-CZ2 3.92Å; F745-W759 HydrophobicContact CE1-CH2 4.27Å; F745-W759 HydrophobicContact CE1-CZ2 4.12Å; F745-L763 HydrophobicContact CD1-CD2 4.3Å; F745-L763 HydrophobicContact CD2-CD2 4.03Å; F745-L763 HydrophobicContact CE1-CD2 4.08Å; F745-L763 HydrophobicContact CE2-CD2 3.79Å; F745-L763 HydrophobicContact CG-CD2 4.27Å; F745-L763 HydrophobicContact CZ-CD2 3.81Å; F745-L766 HydrophobicContact CE2-CD2 4.11Å; F745-L766 HydrophobicContact CZ-CD2 3.62Å; F745-M783 HydrophobicContact CD2-CE 4.28Å; F745-M783 HydrophobicContact CE2-CE 3.77Å; F745-M783 HydrophobicContact CE2-CG 4.33Å; F745-S784 PolarHBondContact N-O 3.23Å; F745-V785 HydrophobicContact CB-CG2 4.38Å; F745-V785 CarbonylContact O-C 3.59Å; F745-V785 VanDerWaalsContact O-CA 3.26Å; F745-V785 WeakPolarHBondContact O-CA 3.5Å; F745-V785 VanDerWaalsContact O-CG2 3.3Å; F745-V785 WeakPolarHBondContact O-CG2 3.49Å; F745-A786 PolarHBondContact O-N 3.38Å; F745-F807 AromaticContact CD2-CE1 3.91Å; F745-F807 HydrophobicContact CD2-CE1 3.91Å
746Q82.9Confident81.2Confident30 Ų3035.9 Ų35.914%0.1419%0.192CC..EExtended strand (participates in β ladder)trans-89.4109174.2-167.2177.17.400110V706 T708 H817V706-Q746 PolarHBondContact O-N 2.88Å; T708-Q746 WeakPolarHBondContact CB-O 3.36Å; T708-Q746 VanDerWaalsContact CG2-O 3.3Å; T708-Q746 WeakPolarHBondContact CG2-O 3.39Å; T708-Q746 PolarHBondContact N-O 2.88Å; T708-Q746 PolarHBondContact OG1-O 3.34Å; Q746-H817 PolarHBondContact NE2-CE1 3.07Å; Q746-H817 PolarHBondContact NE2-NE2 2.82Å
747L73.4Confident80.5Confident7 Ų740.9 Ų40.94%0.03721%0.211CC..EExtended strand (participates in β ladder)trans-98.8158.7171.8-68.5177.5000110.3T708 F745 F753 V785 A786 V787T708-L747 HydrophobicContact CG2-CD2 3.65Å; T708-L747 HydrophobicContact CG2-CG 4.42Å; F745-L747 PolarHBondContact O-N 2.89Å; L747-F753 HydrophobicContact CD1-CB 4.43Å; L747-F753 HydrophobicContact CD1-CD2 3.6Å; L747-F753 HydrophobicContact CD1-CE2 4.33Å; L747-F753 HydrophobicContact CD1-CG 4.42Å; L747-V785 HydrophobicContact CB-CG2 4.2Å; L747-V785 HydrophobicContact CD1-CG2 3.35Å; L747-V785 HydrophobicContact CG-CG2 3.61Å; L747-A786 PolarHBondContact N-O 2.8Å; L747-V787 HydrophobicContact CB-CG1 4.18Å; L747-V787 HydrophobicContact CD1-CG1 4.31Å
748G72.3Confident79.7Confident19 Ų1937.7 Ų37.720%0.19620%0.201CC..EExtended strand (participates in β ladder)trans-74-140.9165.400000111.2E788G748-E788 PolarHBondContact O-N 3.1Å
749P74.4Confident79Confident39 Ų3937.9 Ų37.925%0.25320%0.202SC..EExtended strand (participates in β ladder)trans-60.9148.1173.8-18.630.9000111.9S751 D752P749-S751 PolarHBondContact O-N 2.95Å; P749-D752 WeakPolarHBondContact O-CB 3.44Å; P749-D752 PolarHBondContact O-N 3.27Å
750I74.2Confident78.6Confident6 Ų634.7 Ų34.73%0.03119%0.185CC..THydrogen-bonded Turntrans-54.7-28.7178.3-71.2169.7000112.2D752 F753 V787 L792 V800 I803I750-D752 PolarHBondContact O-N 2.78Å; I750-F753 VanDerWaalsContact O-CB 3.31Å; I750-F753 WeakPolarHBondContact O-CB 3.14Å; I750-F753 PolarHBondContact O-N 3.36Å; I750-V787 HydrophobicContact CD1-CG2 3.99Å; I750-V787 HydrophobicContact CG1-CB 3.88Å; I750-V787 HydrophobicContact CG1-CG1 4.1Å; I750-V787 HydrophobicContact CG1-CG2 3.89Å; I750-L792 HydrophobicContact CB-CD2 4.4Å; I750-L792 HydrophobicContact CD1-CD2 4.11Å; I750-L792 HydrophobicContact CG2-CD2 4.21Å; I750-V800 HydrophobicContact CD1-CG2 4.43Å; I750-V800 HydrophobicContact CG2-CG2 3.89Å; I750-I803 HydrophobicContact CG1-CD1 4.45Å; I750-I803 HydrophobicContact CG2-CD1 4.16Å
751S72.7Confident78.2Confident30 Ų3038 Ų3821%0.2120%0.2CC..Hα-helixtrans-59.9-28.8177.152.70000113.3P749 F753 A754 Q790P749-S751 PolarHBondContact O-N 2.95Å; S751-F753 VanDerWaalsContact C-N 3.26Å; S751-F753 PolarHBondContact O-N 3.37Å; S751-A754 PolarHBondContact O-N 2.78Å; S751-Q790 VanDerWaalsContact N-NE2 3.16Å; S751-Q790 PolarHBondContact OG-OE1 3.33Å; S751-Q790 VanDerWaalsContact OG-OE1 3.1Å
752D72.4Confident78Confident51 Ų5137 Ų3727%0.27320%0.195SC..Hα-helixtrans-68.1-26.4175.7-77.41.3000112.5P749 I750 R756P749-D752 WeakPolarHBondContact O-CB 3.44Å; P749-D752 PolarHBondContact O-N 3.27Å; I750-D752 PolarHBondContact O-N 2.78Å; D752-R756 WeakPolarHBondContact O-CD 3.36Å; D752-R756 VanDerWaalsContact O-CG 3.3Å; D752-R756 WeakPolarHBondContact O-CG 3.34Å; D752-R756 PolarHBondContact O-NE 2.68Å; D752-R756 IonicContact OD2-NH2 3.52Å
753F73.7Confident77.8Confident2 Ų237 Ų371%0.00920%0.195CC..Hα-helixtrans-69.6-39.5178.8-168.7-96.6000111.3L747 I750 S751 Q755 R756 T760 L763 A799 Q802 I803 I806 F807L747-F753 HydrophobicContact CD1-CB 4.43Å; L747-F753 HydrophobicContact CD1-CD2 3.6Å; L747-F753 HydrophobicContact CD1-CE2 4.33Å; L747-F753 HydrophobicContact CD1-CG 4.42Å; I750-F753 VanDerWaalsContact O-CB 3.31Å; I750-F753 WeakPolarHBondContact O-CB 3.14Å; I750-F753 PolarHBondContact O-N 3.36Å; S751-F753 VanDerWaalsContact C-N 3.26Å; S751-F753 PolarHBondContact O-N 3.37Å; F753-Q755 PolarHBondContact O-N 3.07Å; F753-R756 PolarHBondContact O-N 3.45Å; F753-R756 VanDerWaalsContact O-N 3.15Å; F753-T760 HydrophobicContact CE1-CG2 4.14Å; F753-T760 HydrophobicContact CZ-CG2 3.97Å; F753-L763 HydrophobicContact CE2-CD1 3.91Å; F753-A799 HydrophobicContact CD1-CB 4.27Å; F753-Q802 HydrophobicContact CE1-CB 3.92Å; F753-I803 HydrophobicContact CB-CD1 4.08Å; F753-I803 HydrophobicContact CD1-CD1 3.96Å; F753-I803 HydrophobicContact CD1-CG1 3.67Å; F753-I803 HydrophobicContact CD2-CD1 4.33Å; F753-I803 HydrophobicContact CD2-CG1 4.13Å; F753-I803 HydrophobicContact CE1-CD1 4.49Å; F753-I803 HydrophobicContact CE1-CG1 3.7Å; F753-I803 HydrophobicContact CE2-CG1 4.14Å; F753-I803 HydrophobicContact CG-CD1 3.86Å; F753-I803 HydrophobicContact CG-CG1 3.89Å; F753-I803 HydrophobicContact CZ-CG1 3.93Å; F753-I806 HydrophobicContact CZ-CD1 4.12Å; F753-F807 HydrophobicContact CE2-CE2 4.32Å
754A65.3Low77.6Confident52 Ų5242.3 Ų42.343%0.4322%0.215SC..Hα-helixtrans-60.1-28.8-178.400000113S751 R756 A799S751-A754 PolarHBondContact O-N 2.78Å; A754-R756 VanDerWaalsContact C-N 3.34Å; A754-A799 HydrophobicContact CB-CB 3.86Å
755Q66.1Low77.5Confident160 Ų16044.4 Ų44.475%0.74823%0.226SC*.THydrogen-bonded Turntrans-84-3.9-177.1-61.4-176.38.700113.7F753F753-Q755 PolarHBondContact O-N 3.07Å
756R69.2Low77.5Confident69 Ų6944.3 Ų44.326%0.2623%0.225SC..  trans-12360.7-164.6-59.1178.8-167.8-153.66.7113.7D752 F753 A754 D758 W759 T760D752-R756 WeakPolarHBondContact O-CD 3.36Å; D752-R756 VanDerWaalsContact O-CG 3.3Å; D752-R756 WeakPolarHBondContact O-CG 3.34Å; D752-R756 PolarHBondContact O-NE 2.68Å; D752-R756 IonicContact OD2-NH2 3.52Å; F753-R756 PolarHBondContact O-N 3.45Å; F753-R756 VanDerWaalsContact O-N 3.15Å; A754-R756 VanDerWaalsContact C-N 3.34Å; R756-D758 VanDerWaalsContact C-N 3.34Å; R756-D758 PolarHBondContact O-N 2.9Å; R756-W759 HydrophobicContact CB-CB 3.86Å; R756-W759 WeakPolarHBondContact O-CB 3.22Å; R756-W759 PolarHBondContact O-N 3.06Å; R756-W759 VanDerWaalsContact O-N 3.11Å; R756-T760 PolarHBondContact O-N 2.8Å; R756-T760 VanDerWaalsContact O-N 3.1Å; R756-T760 PolarHBondContact O-OG1 2.74Å
757Q73.3Confident78Confident164 Ų16444.3 Ų44.377%0.76622%0.224SC*.Hα-helixtrans-55.7-40.8-176.9-70.7-172.6-9.900114.5W759 T760 H761Q757-W759 VanDerWaalsContact C-N 3.31Å; Q757-W759 PolarHBondContact O-N 2.94Å; Q757-T760 WeakPolarHBondContact O-CB 3.21Å; Q757-T760 PolarHBondContact O-N 3Å; Q757-H761 PolarHBondContact O-N 3.02Å
758D73.1Confident78.8Confident70 Ų7048.7 Ų48.737%0.37425%0.248SC..Hα-helixtrans-64.5-36.4178.7-78.1-45.5000113.1Y712 I719 K724 R756 H761 L762Y712-D758 HydrophobicContact CE1-CB 4.12Å; I719-D758 HydrophobicContact CD1-CB 3.82Å; K724-D758 WeakPolarHBondContact CE-OD1 3.4Å; K724-D758 IonicContact NZ-OD1 2.76Å; K724-D758 PolarHBondContact NZ-OD1 3.12Å; R756-D758 VanDerWaalsContact C-N 3.34Å; R756-D758 PolarHBondContact O-N 2.9Å; D758-H761 PolarHBondContact O-N 2.82Å; D758-L762 PolarHBondContact O-N 2.87Å
759W76.3Confident79.8Confident4 Ų451.2 Ų51.22%0.01525%0.251CS..Hα-helixtrans-65.7-44.4174.8-176.9-112.2000110.9I668 T708 Y712 F745 R756 Q757 H761 L762 L763I668-W759 HydrophobicContact CD1-CH2 3.79Å; I668-W759 HydrophobicContact CD1-CZ3 4.44Å; T708-W759 HydrophobicContact CG2-CZ2 3.92Å; Y712-W759 HydrophobicContact CD1-CB 4.45Å; Y712-W759 AromaticContact CD2-CE3 3.91Å; Y712-W759 HydrophobicContact CD2-CE3 3.91Å; Y712-W759 HydrophobicContact CD2-CZ3 4.22Å; Y712-W759 HydrophobicContact CE1-CB 4Å; Y712-W759 HydrophobicContact CE1-CE3 4.41Å; Y712-W759 AromaticContact CE2-CE3 3.67Å; Y712-W759 HydrophobicContact CE2-CE3 3.67Å; Y712-W759 HydrophobicContact CE2-CZ3 4.11Å; Y712-W759 HydrophobicContact CG-CE3 4.38Å; Y712-W759 AromaticContact CZ-CE3 3.94Å; F745-W759 HydrophobicContact CD1-CH2 4.45Å; F745-W759 AromaticContact CD1-CZ2 3.92Å; F745-W759 HydrophobicContact CD1-CZ2 3.92Å; F745-W759 HydrophobicContact CE1-CH2 4.27Å; F745-W759 HydrophobicContact CE1-CZ2 4.12Å; R756-W759 HydrophobicContact CB-CB 3.86Å; R756-W759 WeakPolarHBondContact O-CB 3.22Å; R756-W759 PolarHBondContact O-N 3.06Å; R756-W759 VanDerWaalsContact O-N 3.11Å; Q757-W759 VanDerWaalsContact C-N 3.31Å; Q757-W759 PolarHBondContact O-N 2.94Å; W759-H761 VanDerWaalsContact C-N 3.29Å; W759-H761 PolarHBondContact O-N 3.34Å; W759-L762 HydrophobicContact CE3-CD2 4.35Å; W759-L762 HydrophobicContact CH2-CD2 4.43Å; W759-L762 HydrophobicContact CZ3-CD2 4Å; W759-L762 PolarHBondContact O-N 3.28Å; W759-L763 HydrophobicContact CD2-CG 4.49Å; W759-L763 HydrophobicContact CG-CD1 4.36Å; W759-L763 HydrophobicContact CZ2-CD2 3.99Å; W759-L763 HydrophobicContact CZ2-CG 4.4Å; W759-L763 VanDerWaalsContact NE1-CD1 3.35Å; W759-L763 WeakPolarHBondContact O-CG 3.26Å; W759-L763 PolarHBondContact O-N 3.3Å
760T79.6Confident80.6Confident4 Ų449.4 Ų49.43%0.02524%0.239CC..Hα-helixtrans-57-42.1174.9-54.90000111.7F753 R756 Q757 L763 R764 I806F753-T760 HydrophobicContact CE1-CG2 4.14Å; F753-T760 HydrophobicContact CZ-CG2 3.97Å; R756-T760 PolarHBondContact O-N 2.8Å; R756-T760 VanDerWaalsContact O-N 3.1Å; R756-T760 PolarHBondContact O-OG1 2.74Å; Q757-T760 WeakPolarHBondContact O-CB 3.21Å; Q757-T760 PolarHBondContact O-N 3Å; T760-L763 PolarHBondContact O-N 3.35Å; T760-R764 WeakPolarHBondContact O-CG 3.32Å; T760-R764 PolarHBondContact O-N 3.12Å; T760-R764 VanDerWaalsContact O-N 3.08Å; T760-I806 HydrophobicContact CG2-CD1 3.57Å
761H84.3Confident81.2Confident68 Ų6850.2 Ų50.232%0.31525%0.249SC..Hα-helixtrans-65.8-43.1177.2-170.8-100.1000112.5K724 Q757 D758 W759 L763 R764 L765K724-H761 HydrophobicContact CD-CB 4.5Å; K724-H761 VanDerWaalsContact CD-ND1 3.31Å; K724-H761 WeakPolarHBondContact CD-ND1 3.27Å; Q757-H761 PolarHBondContact O-N 3.02Å; D758-H761 PolarHBondContact O-N 2.82Å; W759-H761 VanDerWaalsContact C-N 3.29Å; W759-H761 PolarHBondContact O-N 3.34Å; H761-L763 VanDerWaalsContact C-N 3.32Å; H761-L763 PolarHBondContact O-N 3.18Å; H761-R764 PolarHBondContact O-N 3.01Å; H761-L765 WeakPolarHBondContact O-CG 3.04Å; H761-L765 PolarHBondContact O-N 3.44Å
762L84.5Confident82Confident1 Ų154.6 Ų54.61%0.00527%0.266CS..Hα-helixtrans-60.4-42.2175.7-178.3150.9000111.8W723 T727 D758 W759 R764 L765 L766W723-L762 HydrophobicContact CH2-CD1 4.38Å; W723-L762 HydrophobicContact CZ3-CD1 3.75Å; T727-L762 HydrophobicContact CG2-CD1 3.88Å; D758-L762 PolarHBondContact O-N 2.87Å; W759-L762 HydrophobicContact CE3-CD2 4.35Å; W759-L762 HydrophobicContact CH2-CD2 4.43Å; W759-L762 HydrophobicContact CZ3-CD2 4Å; W759-L762 PolarHBondContact O-N 3.28Å; L762-R764 PolarHBondContact O-N 3.05Å; L762-L765 PolarHBondContact O-N 2.88Å; L762-L766 WeakPolarHBondContact O-CB 3.06Å; L762-L766 PolarHBondContact O-N 3.26Å
763L88Confident82.6Confident0 Ų054.3 Ų54.30%027%0.265CS..Hα-helixtrans-65-37.1177.4-69.4172.4000112.4F745 F753 W759 T760 H761 L766 R767 M783 I806 F807F745-L763 HydrophobicContact CD1-CD2 4.3Å; F745-L763 HydrophobicContact CD2-CD2 4.03Å; F745-L763 HydrophobicContact CE1-CD2 4.08Å; F745-L763 HydrophobicContact CE2-CD2 3.79Å; F745-L763 HydrophobicContact CG-CD2 4.27Å; F745-L763 HydrophobicContact CZ-CD2 3.81Å; F753-L763 HydrophobicContact CE2-CD1 3.91Å; W759-L763 HydrophobicContact CD2-CG 4.49Å; W759-L763 HydrophobicContact CG-CD1 4.36Å; W759-L763 HydrophobicContact CZ2-CD2 3.99Å; W759-L763 HydrophobicContact CZ2-CG 4.4Å; W759-L763 VanDerWaalsContact NE1-CD1 3.35Å; W759-L763 WeakPolarHBondContact O-CG 3.26Å; W759-L763 PolarHBondContact O-N 3.3Å; T760-L763 PolarHBondContact O-N 3.35Å; H761-L763 VanDerWaalsContact C-N 3.32Å; H761-L763 PolarHBondContact O-N 3.18Å; L763-L766 PolarHBondContact O-N 3.44Å; L763-R767 WeakPolarHBondContact O-CB 3.45Å; L763-R767 PolarHBondContact O-N 3.24Å; L763-M783 HydrophobicContact CB-CE 3.83Å; L763-M783 HydrophobicContact CD2-CE 3.54Å; L763-M783 HydrophobicContact CG-CE 4.24Å; L763-M783 WeakPolarHBondContact O-CE 3.48Å; L763-I806 HydrophobicContact CB-CG2 4.06Å; L763-F807 HydrophobicContact CD1-CE2 4.38Å; L763-F807 HydrophobicContact CD1-CZ 3.74Å; L763-F807 HydrophobicContact CD2-CZ 4.45Å
764R90.2Very high83.1Confident110 Ų11054.8 Ų54.842%0.41527%0.268SS..Hα-helixtrans-62.8-47.9172.5-73.4177.5-172.51554.3111.8T760 H761 L762 L766 R767 D768 I806T760-R764 WeakPolarHBondContact O-CG 3.32Å; T760-R764 PolarHBondContact O-N 3.12Å; T760-R764 VanDerWaalsContact O-N 3.08Å; H761-R764 PolarHBondContact O-N 3.01Å; L762-R764 PolarHBondContact O-N 3.05Å; R764-L766 VanDerWaalsContact C-N 3.28Å; R764-L766 PolarHBondContact O-N 2.63Å; R764-R767 WeakPolarHBondContact O-CB 3.47Å; R764-R767 PolarHBondContact O-N 3.32Å; R764-R767 VanDerWaalsContact O-N 3.15Å; R764-D768 PolarHBondContact O-N 3.08Å; R764-I806 HydrophobicContact CG-CD1 3.83Å; R764-I806 HydrophobicContact CG-CG1 3.79Å
765L91.3Very high83.6Confident44 Ų4457 Ų5723%0.2329%0.286CS..Hα-helixtrans-58.8-41.8175.9-69.7173.5000111.7L721 K724 T728 H761 L762 D768 R769L721-L765 HydrophobicContact CD1-CD1 4.37Å; K724-L765 HydrophobicContact CB-CD1 3.72Å; T728-L765 HydrophobicContact CG2-CB 4.39Å; H761-L765 WeakPolarHBondContact O-CG 3.04Å; H761-L765 PolarHBondContact O-N 3.44Å; L762-L765 PolarHBondContact O-N 2.88Å; L765-D768 PolarHBondContact O-N 2.69Å; L765-R769 WeakPolarHBondContact O-CB 3.42Å; L765-R769 PolarHBondContact O-N 3.36Å
766L91.1Very high83.9Confident0 Ų054.8 Ų54.80%029%0.288CS..Hα-helixtrans-64.2-42.8175.9-177.163.3000112.1T728 I731 A732 F745 L762 L763 R764 D768 R769 L770 M783T728-L766 HydrophobicContact CG2-CB 4.29Å; T728-L766 HydrophobicContact CG2-CD1 4.18Å; I731-L766 HydrophobicContact CB-CD1 4.31Å; I731-L766 HydrophobicContact CG2-CD1 4.02Å; I731-L766 HydrophobicContact CG2-CD2 4.1Å; A732-L766 HydrophobicContact CB-CD1 4.3Å; F745-L766 HydrophobicContact CE2-CD2 4.11Å; F745-L766 HydrophobicContact CZ-CD2 3.62Å; L762-L766 WeakPolarHBondContact O-CB 3.06Å; L762-L766 PolarHBondContact O-N 3.26Å; L763-L766 PolarHBondContact O-N 3.44Å; R764-L766 VanDerWaalsContact C-N 3.28Å; R764-L766 PolarHBondContact O-N 2.63Å; L766-D768 VanDerWaalsContact C-N 3.35Å; L766-D768 PolarHBondContact O-N 3.3Å; L766-R769 PolarHBondContact O-N 3.46Å; L766-L770 HydrophobicContact CD1-CD1 4.2Å; L766-L770 HydrophobicContact CD1-CG 4.1Å; L766-L770 HydrophobicContact CG-CD1 3.99Å; L766-L770 HydrophobicContact CG-CG 4.3Å; L766-L770 WeakPolarHBondContact O-CB 3.29Å; L766-L770 VanDerWaalsContact O-CG 3.3Å; L766-L770 WeakPolarHBondContact O-CG 3.32Å; L766-L770 PolarHBondContact O-N 2.93Å; L766-M783 HydrophobicContact CD2-CE 4.44Å
767R91.9Very high84.2Confident31 Ų3154.4 Ų54.412%0.11729%0.287CS..Hα-helixtrans-58.5-46.2176.9178.260.6176174.8-3.9111.9L763 R764 G771 M783 I806 D808L763-R767 WeakPolarHBondContact O-CB 3.45Å; L763-R767 PolarHBondContact O-N 3.24Å; R764-R767 WeakPolarHBondContact O-CB 3.47Å; R764-R767 PolarHBondContact O-N 3.32Å; R764-R767 VanDerWaalsContact O-N 3.15Å; R767-G771 PolarHBondContact O-N 3.44Å; R767-M783 HydrophobicContact CB-SD 3.81Å; R767-M783 HydrophobicContact CG-SD 4.49Å; R767-I806 WeakPolarHBondContact CD-O 3.36Å; R767-I806 PolarHBondContact NE-O 3.24Å; R767-D808 IonicContact CZ-OD1 2.88Å; R767-D808 IonicContact CZ-OD2 2.72Å; R767-D808 VanDerWaalsContact NH1-CG 3.28Å; R767-D808 IonicContact NH1-OD1 3.6Å; R767-D808 PolarHBondContact NH1-OD1 3.18Å; R767-D808 IonicContact NH1-OD2 3.72Å; R767-D808 PolarHBondContact NH1-OD2 2.63Å; R767-D808 IonicContact NH2-OD1 2.78Å; R767-D808 PolarHBondContact NH2-OD1 3.2Å; R767-D808 IonicContact NH2-OD2 2.69Å
768D91.7Very high84Confident99 Ų9952.7 Ų52.753%0.52928%0.28SS..Hα-helixtrans-65.2-44.1178.4-68.3-19.6000111R764 L765 L766 G771 Q772R764-D768 PolarHBondContact O-N 3.08Å; L765-D768 PolarHBondContact O-N 2.69Å; L766-D768 VanDerWaalsContact C-N 3.35Å; L766-D768 PolarHBondContact O-N 3.3Å; D768-G771 WeakPolarHBondContact O-CA 3.4Å; D768-G771 PolarHBondContact O-N 3.35Å; D768-G771 VanDerWaalsContact O-N 3.16Å; D768-Q772 WeakPolarHBondContact O-CG 3.47Å; D768-Q772 PolarHBondContact O-N 3.39Å
769R92.5Very high84.1Confident72 Ų7250.6 Ų50.627%0.27227%0.271SS..Hα-helixtrans-64.6-43.9179.1-17354.5172.6163.61112.6T728 E729 A732 L765 L766 G771 Q772 L773T728-R769 HydrophobicContact CG2-CB 3.74Å; T728-R769 HydrophobicContact CG2-CG 4.12Å; E729-R769 IonicContact OE1-CZ 3.64Å; E729-R769 IonicContact OE1-NE 3.67Å; E729-R769 IonicContact OE1-NH2 2.77Å; E729-R769 PolarHBondContact OE1-NH2 3.06Å; E729-R769 IonicContact OE2-CZ 3.41Å; E729-R769 IonicContact OE2-NE 2.7Å; E729-R769 PolarHBondContact OE2-NE 3.43Å; E729-R769 IonicContact OE2-NH2 3.34Å; E729-R769 PolarHBondContact OE2-NH2 3.09Å; A732-R769 HydrophobicContact CB-CG 4.01Å; L765-R769 WeakPolarHBondContact O-CB 3.42Å; L765-R769 PolarHBondContact O-N 3.36Å; L766-R769 PolarHBondContact O-N 3.46Å; R769-G771 VanDerWaalsContact C-N 3.26Å; R769-G771 PolarHBondContact O-N 3.22Å; R769-Q772 PolarHBondContact O-N 2.96Å; R769-L773 HydrophobicContact CG-CD1 4.25Å; R769-L773 WeakPolarHBondContact O-CG 3.18Å; R769-L773 PolarHBondContact O-N 3.47Å
770L90.3Very high84.5Confident1 Ų156.9 Ų56.91%0.00530%0.295CS..Hα-helixtrans-63.4-34.4173.7-70.8176.6000111.6A732 L735 V743 L766 L773 S774 F781 M783A732-L770 HydrophobicContact CB-CD2 4.4Å; L735-L770 HydrophobicContact CD1-CD1 4.48Å; L735-L770 HydrophobicContact CD1-CD2 4.18Å; V743-L770 HydrophobicContact CG1-CD1 4.02Å; L766-L770 HydrophobicContact CD1-CD1 4.2Å; L766-L770 HydrophobicContact CD1-CG 4.1Å; L766-L770 HydrophobicContact CG-CD1 3.99Å; L766-L770 HydrophobicContact CG-CG 4.3Å; L766-L770 WeakPolarHBondContact O-CB 3.29Å; L766-L770 VanDerWaalsContact O-CG 3.3Å; L766-L770 WeakPolarHBondContact O-CG 3.32Å; L766-L770 PolarHBondContact O-N 2.93Å; L770-L773 PolarHBondContact O-N 3.02Å; L770-S774 WeakPolarHBondContact O-CB 3.33Å; L770-S774 PolarHBondContact O-N 3.41Å; L770-S774 PolarHBondContact O-OG 3.06Å; L770-F781 HydrophobicContact CB-CB 4.07Å; L770-F781 HydrophobicContact CD2-CB 4.44Å; L770-F781 HydrophobicContact CD2-CD1 4.47Å; L770-F781 HydrophobicContact CD2-CD2 4.37Å; L770-F781 HydrophobicContact CD2-CG 4.2Å; L770-M783 HydrophobicContact CD1-SD 4.48Å
771G87.5Confident85Confident23 Ų2356.8 Ų56.824%0.23729%0.294CS..Hα-helixtrans-60.3-46.7171.300000112.7R767 D768 R769 S774R767-G771 PolarHBondContact O-N 3.44Å; D768-G771 WeakPolarHBondContact O-CA 3.4Å; D768-G771 PolarHBondContact O-N 3.35Å; D768-G771 VanDerWaalsContact O-N 3.16Å; R769-G771 VanDerWaalsContact C-N 3.26Å; R769-G771 PolarHBondContact O-N 3.22Å; G771-S774 WeakPolarHBondContact O-CB 3.2Å; G771-S774 PolarHBondContact O-N 2.93Å
772Q88.8Confident85.3Confident122 Ų12254.9 Ų54.957%0.5729%0.286SS*.Hα-helixtrans-62.8-45.2176-67.5171.43.300112.1D768 R769 S774 A775D768-Q772 WeakPolarHBondContact O-CG 3.47Å; D768-Q772 PolarHBondContact O-N 3.39Å; R769-Q772 PolarHBondContact O-N 2.96Å; Q772-S774 PolarHBondContact O-N 3.21Å; Q772-A775 WeakPolarHBondContact O-CB 3.17Å; Q772-A775 PolarHBondContact O-N 2.77Å
773L87Confident85.7Confident45 Ų4554.9 Ų54.924%0.23629%0.285CS..Hα-helixtrans-68.3-16.3178.8-67.4171.7000113.2A732 V736 R769 L770 A775 S776 F781A732-L773 HydrophobicContact CB-CD1 3.76Å; V736-L773 HydrophobicContact CG2-CD1 4.08Å; R769-L773 HydrophobicContact CG-CD1 4.25Å; R769-L773 WeakPolarHBondContact O-CG 3.18Å; R769-L773 PolarHBondContact O-N 3.47Å; L770-L773 PolarHBondContact O-N 3.02Å; L773-A775 VanDerWaalsContact C-N 3.29Å; L773-S776 PolarHBondContact O-OG 3.4Å; L773-F781 HydrophobicContact CB-CE2 4.46Å
774S82.4Confident86Confident12 Ų1254.9 Ų54.98%0.08429%0.286CS..G310 helixtrans-75.8-15.3175.7-63.70000113.4L770 G771 Q772 S776 R777 R780 F781L770-S774 WeakPolarHBondContact O-CB 3.33Å; L770-S774 PolarHBondContact O-N 3.41Å; L770-S774 PolarHBondContact O-OG 3.06Å; G771-S774 WeakPolarHBondContact O-CB 3.2Å; G771-S774 PolarHBondContact O-N 2.93Å; Q772-S774 PolarHBondContact O-N 3.21Å; S774-S776 PolarHBondContact O-N 3.41Å; S774-S776 VanDerWaalsContact O-N 3.14Å; S774-R777 PolarHBondContact O-N 3.4Å; S774-R780 WeakPolarHBondContact OG-CG 3.14Å; S774-F781 PolarHBondContact OG-N 3.5Å
775A75.6Confident86.1Confident98 Ų9849.7 Ų49.781%0.8127%0.266SS*.G310 helixtrans-61.2-24.1-176.900000113.7Q772 L773Q772-A775 WeakPolarHBondContact O-CB 3.17Å; Q772-A775 PolarHBondContact O-N 2.77Å; L773-A775 VanDerWaalsContact C-N 3.29Å
776S72.3Confident86Confident113 Ų11347.7 Ų47.779%0.7926%0.256SS*.G310 helixtrans-97.12.2176.559.80000114L773 S774L773-S776 PolarHBondContact O-OG 3.4Å; S774-S776 PolarHBondContact O-N 3.41Å; S774-S776 VanDerWaalsContact O-N 3.14Å
777R76.6Confident85.7Confident61 Ų6147.7 Ų47.723%0.2326%0.256CS..SBendtrans-107.9147.2-178.2-63.1-177.775.8106-5.7110.4V740 D741 S774 C779V740-R777 PolarHBondContact O-NH2 3.31Å; D741-R777 IonicContact OD1-NH2 3.49Å; D741-R777 PolarHBondContact OD1-NH2 2.95Å; S774-R777 PolarHBondContact O-N 3.4Å; R777-C779 VanDerWaalsContact C-N 3.26Å; R777-C779 VanDerWaalsContact CB-O 3.31Å; R777-C779 WeakPolarHBondContact CB-O 3.4Å; R777-C779 PolarHBondContact O-N 3.12Å
778M69.9Low85.1Confident128 Ų12847.3 Ų47.363%0.63126%0.255SS*.SBendtrans-62.7-35175.1-167169.473.900111.9Q627 C628Q627-M778 HydrophobicContact CB-CE 3.99Å; Q627-M778 HydrophobicContact CB-CG 4.46Å; Q627-M778 HydrophobicContact CB-SD 4.12Å; Q627-M778 HydrophobicContact CG-CE 3.9Å; Q627-M778 HydrophobicContact CG-SD 3.92Å; C628-M778 PolarHBondContact SG-O 2.54Å
779C74.7Confident84.1Confident27 Ų2742.9 Ų42.918%0.18223%0.232CC..SBendtrans-122.8144.4174.3-56.70000111.2Q627 C628 R777Q627-C779 PolarHBondContact O-SG 3.11Å; Q627-C779 VanDerWaalsContact O-SG 3.36Å; C628-C779 WeakPolarHBondContact CA-SG 3.48Å; C628-C779 HydrophobicContact CB-CB 4.03Å; C628-C779 WeakPolarHBondContact CB-SG 3.34Å; C628-C779 WeakPolarHBondContact SG-CA 3.44Å; C628-C779 WeakPolarHBondContact SG-CB 3.23Å; C628-C779 CovalentContact SG-SG 2.05Å; C628-C779 PolarHBondContact SG-SG 3.06Å; R777-C779 VanDerWaalsContact C-N 3.26Å; R777-C779 VanDerWaalsContact CB-O 3.31Å; R777-C779 WeakPolarHBondContact CB-O 3.4Å; R777-C779 PolarHBondContact O-N 3.12Å
780R84.4Confident83.1Confident135 Ų13541.3 Ų41.351%0.50923%0.228SC..PPolyproline II helixtrans-62.8142.5175.8-170.8-176.9175.4157.12.8111.1S774 E782S774-R780 WeakPolarHBondContact OG-CG 3.14Å; R780-E782 PolarHBondContact O-N 3.25Å
781F89.6Confident82Confident3 Ų345.9 Ų45.91%0.01325%0.251CS..PPolyproline II helixtrans-58.6127.3167.6-87.8-74.8000110.9V736 V740 D741 L770 L773 S774V736-F781 HydrophobicContact CG2-CE2 4.05Å; V736-F781 HydrophobicContact CG2-CZ 3.9Å; V740-F781 WeakPolarHBondContact O-CE1 3.28Å; D741-F781 WeakPolarHBondContact O-CA 3.42Å; L770-F781 HydrophobicContact CB-CB 4.07Å; L770-F781 HydrophobicContact CD2-CB 4.44Å; L770-F781 HydrophobicContact CD2-CD1 4.47Å; L770-F781 HydrophobicContact CD2-CD2 4.37Å; L770-F781 HydrophobicContact CD2-CG 4.2Å; L773-F781 HydrophobicContact CB-CE2 4.46Å; S774-F781 PolarHBondContact OG-N 3.5Å
782E90.8Very high81.2Confident28 Ų2845.3 Ų45.313%0.13124%0.243CC..EExtended strand (participates in β ladder)trans-88.4139.2176.5-64.4-169.2-167.200111.4R633 H660 K701 I703 D741 G742 V743 R780 D808 H809R633-E782 IonicContact CZ-OE2 2.67Å; R633-E782 IonicContact NH1-OE2 3.3Å; R633-E782 IonicContact NH2-OE2 3.94Å; R633-E782 PolarHBondContact NH2-OE2 3.39Å; H660-E782 IonicContact NE2-OE1 2.68Å; H660-E782 IonicContact NE2-OE2 2.88Å; K701-E782 IonicContact NZ-OE1 2.81Å; K701-E782 PolarHBondContact NZ-OE1 3.47Å; I703-E782 HydrophobicContact CD1-CB 4.47Å; D741-E782 PolarHBondContact O-N 3.03Å; G742-E782 CarbonylContact C-O 3.44Å; G742-E782 WeakPolarHBondContact CA-O 3.07Å; V743-E782 PolarHBondContact N-O 2.67Å; R780-E782 PolarHBondContact O-N 3.25Å; E782-D808 WeakPolarHBondContact CA-OD2 3.41Å; E782-H809 IonicContact OE2-CE1 3.37Å
783M93.4Very high80.6Confident0 Ų044.3 Ų44.30%024%0.238CC..EExtended strand (participates in β ladder)trans-128.1120.6175.6-173.7170.1167.200108.8V743 F745 L763 L766 R767 L770 I806 F807 D808V743-M783 HydrophobicContact CG1-CB 4.48Å; V743-M783 HydrophobicContact CG1-CG 4.17Å; V743-M783 WeakPolarHBondContact O-CA 2.9Å; F745-M783 HydrophobicContact CD2-CE 4.28Å; F745-M783 HydrophobicContact CE2-CE 3.77Å; F745-M783 HydrophobicContact CE2-CG 4.33Å; L763-M783 HydrophobicContact CB-CE 3.83Å; L763-M783 HydrophobicContact CD2-CE 3.54Å; L763-M783 HydrophobicContact CG-CE 4.24Å; L763-M783 WeakPolarHBondContact O-CE 3.48Å; L766-M783 HydrophobicContact CD2-CE 4.44Å; R767-M783 HydrophobicContact CB-SD 3.81Å; R767-M783 HydrophobicContact CG-SD 4.49Å; L770-M783 HydrophobicContact CD1-SD 4.48Å; M783-I806 HydrophobicContact CE-CG2 4.01Å; M783-F807 HydrophobicContact CE-CD1 4.2Å; M783-F807 HydrophobicContact CE-CE1 3.62Å; M783-F807 HydrophobicContact CE-CZ 4.28Å; M783-F807 HydrophobicContact CG-CD1 3.81Å; M783-F807 HydrophobicContact CG-CE1 4Å; M783-F807 CarbonylContact O-C 3.46Å; M783-F807 WeakPolarHBondContact O-CA 3.42Å; M783-D808 PolarHBondContact N-OD2 3.16Å; M783-D808 PolarHBondContact O-N 3.47Å
784S94Very high80.3Confident1 Ų152.3 Ų52.31%0.00727%0.265CS..EExtended strand (participates in β ladder)trans-136.6173.3-177.663.60000113.6V743 E744 F745 F807 H809V743-S784 PolarHBondContact O-N 3Å; E744-S784 CarbonylContact C-O 3.55Å; E744-S784 WeakPolarHBondContact CA-O 3.29Å; E744-S784 VanDerWaalsContact CB-OG 3.26Å; E744-S784 WeakPolarHBondContact CB-OG 3.24Å; E744-S784 VanDerWaalsContact CG-OG 3.23Å; E744-S784 WeakPolarHBondContact CG-OG 3.17Å; E744-S784 PolarHBondContact OE2-OG 2.8Å; F745-S784 PolarHBondContact N-O 3.23Å; S784-F807 WeakPolarHBondContact O-CD1 3.49Å; S784-F807 WeakPolarHBondContact O-CE1 3.24Å; S784-H809 WeakPolarHBondContact CA-O 3.47Å; S784-H809 WeakPolarHBondContact CB-CE1 3.42Å; S784-H809 WeakPolarHBondContact CB-ND1 3.49Å; S784-H809 WeakPolarHBondContact CB-NE2 3.2Å; S784-H809 WeakPolarHBondContact CB-O 3.2Å; S784-H809 PolarHBondContact OG-CE1 3.08Å; S784-H809 PolarHBondContact OG-NE2 2.89Å
785V91.7Very high80.2Confident0 Ų058.7 Ų58.70%029%0.291CS..EExtended strand (participates in β ladder)trans-140.9134-179.667.50000110.4F745 L747 V787 I803 F807 H809 V810 T811F745-V785 HydrophobicContact CB-CG2 4.38Å; F745-V785 CarbonylContact O-C 3.59Å; F745-V785 VanDerWaalsContact O-CA 3.26Å; F745-V785 WeakPolarHBondContact O-CA 3.5Å; F745-V785 VanDerWaalsContact O-CG2 3.3Å; F745-V785 WeakPolarHBondContact O-CG2 3.49Å; L747-V785 HydrophobicContact CB-CG2 4.2Å; L747-V785 HydrophobicContact CD1-CG2 3.35Å; L747-V785 HydrophobicContact CG-CG2 3.61Å; V785-V787 HydrophobicContact CG1-CG1 4.27Å; V785-V787 HydrophobicContact CG2-CG1 3.97Å; V785-I803 HydrophobicContact CG1-CG2 3.84Å; V785-F807 HydrophobicContact CB-CD1 3.95Å; V785-F807 HydrophobicContact CB-CD2 3.97Å; V785-F807 HydrophobicContact CB-CE1 3.85Å; V785-F807 HydrophobicContact CB-CE2 3.86Å; V785-F807 HydrophobicContact CB-CG 4.01Å; V785-F807 HydrophobicContact CB-CZ 3.78Å; V785-F807 HydrophobicContact CG1-CB 4.34Å; V785-F807 HydrophobicContact CG1-CD1 4.27Å; V785-F807 HydrophobicContact CG1-CD2 3.59Å; V785-F807 HydrophobicContact CG1-CE2 3.86Å; V785-F807 HydrophobicContact CG1-CG 3.81Å; V785-F807 HydrophobicContact CG1-CZ 4.3Å; V785-F807 HydrophobicContact CG2-CE2 4.26Å; V785-F807 HydrophobicContact CG2-CZ 4.13Å; V785-H809 PolarHBondContact N-O 3.48Å; V785-V810 HydrophobicContact CG1-CB 4.38Å; V785-V810 HydrophobicContact CG1-CG1 4.19Å; V785-V810 HydrophobicContact CG1-CG2 3.97Å; V785-V810 CarbonylContact O-C 3.59Å; V785-V810 WeakPolarHBondContact O-CA 3.34Å; V785-T811 PolarHBondContact O-N 3.34Å
786A90Very high80.5Confident2 Ų255 Ų552%0.01726%0.257CS..EExtended strand (participates in β ladder)trans-97.2127.1169.500000109.1E744 F745 L747 T811 L813E744-A786 HydrophobicContact CG-CB 4.43Å; F745-A786 PolarHBondContact O-N 3.38Å; L747-A786 PolarHBondContact N-O 2.8Å; A786-T811 CarbonylContact C-O 3.57Å; A786-T811 VanDerWaalsContact CA-O 3.31Å; A786-T811 WeakPolarHBondContact CA-O 3.22Å; A786-L813 HydrophobicContact CB-CD2 4.35Å
787V85.2Confident81.2Confident0 Ų051.8 Ų51.80%023%0.228CC..EExtended strand (participates in β ladder)trans-130144.9-177-59.90000111L747 I750 V785 V810 T811 L812 L813L747-V787 HydrophobicContact CB-CG1 4.18Å; L747-V787 HydrophobicContact CD1-CG1 4.31Å; I750-V787 HydrophobicContact CD1-CG2 3.99Å; I750-V787 HydrophobicContact CG1-CB 3.88Å; I750-V787 HydrophobicContact CG1-CG1 4.1Å; I750-V787 HydrophobicContact CG1-CG2 3.89Å; V785-V787 HydrophobicContact CG1-CG1 4.27Å; V785-V787 HydrophobicContact CG2-CG1 3.97Å; V787-V810 HydrophobicContact CG1-CG1 4.47Å; V787-V810 HydrophobicContact CG2-CG1 3.6Å; V787-T811 PolarHBondContact N-O 3.24Å; V787-L812 HydrophobicContact CG2-CD2 3.43Å; V787-L812 VanDerWaalsContact CG2-CD2 3.43Å; V787-L813 WeakPolarHBondContact O-CB 3.47Å; V787-L813 WeakPolarHBondContact O-CG 3.17Å; V787-L813 PolarHBondContact O-N 3.12Å
788E78.1Confident81.6Confident24 Ų2451.6 Ų51.611%0.11224%0.239CC..EExtended strand (participates in β ladder)trans-74.4133.9172.5-58.1-169.915700110.3G748 Q790 L813 H817G748-E788 PolarHBondContact O-N 3.1Å; E788-Q790 PolarHBondContact O-N 3.45Å; E788-L813 HydrophobicContact CG-CD1 4.06Å; E788-H817 WeakPolarHBondContact OE1-CA 3.45Å; E788-H817 WeakPolarHBondContact OE1-CB 3.33Å; E788-H817 IonicContact OE1-CG 3.53Å; E788-H817 VanDerWaalsContact OE1-CG 3.3Å; E788-H817 PolarHBondContact OE1-N 3.5Å; E788-H817 IonicContact OE1-ND1 3.13Å; E788-H817 PolarHBondContact OE1-ND1 3.03Å
789T71.8Confident82.3Confident5 Ų545.7 Ų45.73%0.03121%0.211CC..  trans-68.6131175.5480000110.6L812 L813 L836 I842 V845T789-L812 HydrophobicContact CG2-CB 4.03Å; T789-L813 WeakPolarHBondContact CG2-O 3.42Å; T789-L813 PolarHBondContact OG1-O 3.31Å; T789-L836 HydrophobicContact CG2-CD2 4.24Å; T789-L836 WeakPolarHBondContact OG1-CD1 3.37Å; T789-L836 WeakPolarHBondContact OG1-CD2 3.38Å; T789-L836 WeakPolarHBondContact OG1-CG 3.28Å; T789-I842 HydrophobicContact CG2-CD1 4.4Å; T789-V845 HydrophobicContact CG2-CG1 3.82Å
790Q70.4Confident82.9Confident40 Ų4044.5 Ų44.519%0.18720%0.203CC..  trans-140.8161.4-179.663.1171.319.300109.9S751 E788 L792S751-Q790 VanDerWaalsContact N-NE2 3.16Å; S751-Q790 PolarHBondContact OG-OE1 3.33Å; S751-Q790 VanDerWaalsContact OG-OE1 3.1Å; E788-Q790 PolarHBondContact O-N 3.45Å; Q790-L792 HydrophobicContact CG-CD2 4.21Å; Q790-L792 PolarHBondContact O-N 3.29Å; Q790-L792 VanDerWaalsContact O-N 3.15Å
791I67.3Low83.1Confident97 Ų9743.1 Ų43.150%0.49720%0.202SC..  trans-66.3113.6170.1-52.7-171.6000108.4E793 L840I791-E793 PolarHBondContact O-N 3.33Å; I791-L840 HydrophobicContact CB-CD1 4.26Å; I791-L840 HydrophobicContact CD1-CD1 4.24Å; I791-L840 HydrophobicContact CG1-CD1 3.7Å; I791-L840 HydrophobicContact CG1-CG 4.38Å; I791-L840 HydrophobicContact CG2-CD1 4.19Å
792L71.2Confident82.9Confident11 Ų1146.1 Ų46.16%0.05822%0.216CC..  trans-83.597.8179.9-71.1175.3000111.2I750 Q790 H796 Y797 V800 A852I750-L792 HydrophobicContact CB-CD2 4.4Å; I750-L792 HydrophobicContact CD1-CD2 4.11Å; I750-L792 HydrophobicContact CG2-CD2 4.21Å; Q790-L792 HydrophobicContact CG-CD2 4.21Å; Q790-L792 PolarHBondContact O-N 3.29Å; Q790-L792 VanDerWaalsContact O-N 3.15Å; L792-H796 HydrophobicContact CD2-CB 4.07Å; L792-Y797 HydrophobicContact CB-CE1 4.47Å; L792-V800 HydrophobicContact CD1-CG2 4.15Å; L792-V800 HydrophobicContact CD2-CG2 4.01Å; L792-A852 HydrophobicContact CD1-CB 4.16Å
793E75.5Confident82.8Confident100 Ų10044.9 Ų44.947%0.46721%0.21SC..  trans-70.7156.7164.2-64.3174.1-160.700112.1I791 K795 H796I791-E793 PolarHBondContact O-N 3.33Å; E793-K795 HydrophobicContact CB-CG 4.21Å; E793-K795 PolarHBondContact O-N 3.01Å; E793-K795 IonicContact OE1-NZ 3.76Å; E793-K795 WeakPolarHBondContact OE2-CD 3.17Å; E793-K795 WeakPolarHBondContact OE2-CE 3.48Å; E793-K795 IonicContact OE2-NZ 2.65Å; E793-K795 PolarHBondContact OE2-NZ 3.32Å; E793-H796 PolarHBondContact N-ND1 2.99Å; E793-H796 WeakPolarHBondContact O-CB 3.31Å; E793-H796 PolarHBondContact O-N 3.46Å; E793-H796 PolarHBondContact O-ND1 3.46Å
794R81Confident82.6Confident214 Ų21445.5 Ų45.581%0.80822%0.215SC*.G310 helixtrans-51.5-33.9178.9-74.8-173.7179.8-178.80.8113.9H796 Y797R794-H796 PolarHBondContact O-N 3.41Å; R794-H796 VanDerWaalsContact O-N 3.11Å; R794-Y797 WeakPolarHBondContact O-CB 3.25Å; R794-Y797 PolarHBondContact O-N 2.94Å; R794-Y797 VanDerWaalsContact O-N 3.13Å
795K81.4Confident82.5Confident145 Ų14551.9 Ų51.963%0.6325%0.249SC*.G310 helixtrans-60.3-20.3178.174.4-168.7-175.3-152.10113.7E793E793-K795 HydrophobicContact CB-CG 4.21Å; E793-K795 PolarHBondContact O-N 3.01Å; E793-K795 IonicContact OE1-NZ 3.76Å; E793-K795 WeakPolarHBondContact OE2-CD 3.17Å; E793-K795 WeakPolarHBondContact OE2-CE 3.48Å; E793-K795 IonicContact OE2-NZ 2.65Å; E793-K795 PolarHBondContact OE2-NZ 3.32Å
796H82Confident82.4Confident21 Ų2152.1 Ų52.110%0.09725%0.25CC..G310 helixtrans-92-10.6-179.9-51.6122.2000113.8L792 E793 R794 A798 A799 V800L792-H796 HydrophobicContact CD2-CB 4.07Å; E793-H796 PolarHBondContact N-ND1 2.99Å; E793-H796 WeakPolarHBondContact O-CB 3.31Å; E793-H796 PolarHBondContact O-N 3.46Å; E793-H796 PolarHBondContact O-ND1 3.46Å; R794-H796 PolarHBondContact O-N 3.41Å; R794-H796 VanDerWaalsContact O-N 3.11Å; H796-A798 VanDerWaalsContact C-N 3.34Å; H796-A798 PolarHBondContact O-N 3.42Å; H796-A799 WeakPolarHBondContact O-CB 3.46Å; H796-A799 PolarHBondContact O-N 2.98Å; H796-V800 PolarHBondContact O-N 3.22Å; H796-V800 VanDerWaalsContact O-N 3.16Å
797Y86.7Confident82.5Confident46 Ų4652.2 Ų52.218%0.1825%0.25CS..Hα-helixtrans-61.2-41.1-170.9-77.923.6000112.1L792 R794 A799 V800 E801 K851 A852L792-Y797 HydrophobicContact CB-CE1 4.47Å; R794-Y797 WeakPolarHBondContact O-CB 3.25Å; R794-Y797 PolarHBondContact O-N 2.94Å; R794-Y797 VanDerWaalsContact O-N 3.13Å; Y797-A799 PolarHBondContact O-N 2.9Å; Y797-V800 WeakPolarHBondContact O-CB 3.33Å; Y797-V800 PolarHBondContact O-N 2.85Å; Y797-E801 PolarHBondContact O-N 3.35Å; Y797-K851 HydrophobicContact CE2-CG 4.36Å; Y797-A852 HydrophobicContact CD1-CB 3.5Å; Y797-A852 VanDerWaalsContact CD1-CB 3.5Å; Y797-A852 HydrophobicContact CD2-CB 4.16Å; Y797-A852 HydrophobicContact CE1-CB 3.61Å; Y797-A852 HydrophobicContact CE2-CB 4.25Å; Y797-A852 HydrophobicContact CG-CB 3.79Å
798A85Confident82.8Confident57 Ų5754.7 Ų54.747%0.47126%0.263SS..Hα-helixtrans-59.9-32.8176.100000113.1H796 Q802H796-A798 VanDerWaalsContact C-N 3.34Å; H796-A798 PolarHBondContact O-N 3.42Å; A798-Q802 VanDerWaalsContact O-CG 3.25Å; A798-Q802 WeakPolarHBondContact O-CG 3.44Å; A798-Q802 PolarHBondContact O-N 3.38Å
799A84.3Confident83.5Confident4 Ų453.6 Ų53.63%0.03326%0.258CS..Hα-helixtrans-73.4-38.1175.700000111.6F753 A754 H796 Y797 Q802 I803F753-A799 HydrophobicContact CD1-CB 4.27Å; A754-A799 HydrophobicContact CB-CB 3.86Å; H796-A799 WeakPolarHBondContact O-CB 3.46Å; H796-A799 PolarHBondContact O-N 2.98Å; Y797-A799 PolarHBondContact O-N 2.9Å; A799-Q802 PolarHBondContact O-N 3.12Å; A799-I803 VanDerWaalsContact O-CG1 3.31Å; A799-I803 WeakPolarHBondContact O-CG1 3.39Å; A799-I803 PolarHBondContact O-N 3.01Å
800V87.7Confident84.5Confident1 Ų153.4 Ų53.41%0.00626%0.257CS..Hα-helixtrans-62.9-44.6175.5177.40000111.1I750 L792 H796 Y797 Q802 I803 S804 A852 L854I750-V800 HydrophobicContact CD1-CG2 4.43Å; I750-V800 HydrophobicContact CG2-CG2 3.89Å; L792-V800 HydrophobicContact CD1-CG2 4.15Å; L792-V800 HydrophobicContact CD2-CG2 4.01Å; H796-V800 PolarHBondContact O-N 3.22Å; H796-V800 VanDerWaalsContact O-N 3.16Å; Y797-V800 WeakPolarHBondContact O-CB 3.33Å; Y797-V800 PolarHBondContact O-N 2.85Å; V800-Q802 PolarHBondContact O-N 3.36Å; V800-I803 WeakPolarHBondContact O-CB 3.26Å; V800-I803 PolarHBondContact O-N 3.1Å; V800-S804 PolarHBondContact O-N 3.37Å; V800-A852 HydrophobicContact CB-CB 4.05Å; V800-A852 HydrophobicContact CG1-CB 3.91Å; V800-A852 WeakPolarHBondContact CG1-O 3.48Å; V800-A852 HydrophobicContact CG2-CB 4.08Å; V800-L854 HydrophobicContact CG1-CB 3.58Å
801E87.7Confident85.5Confident106 Ų10651.5 Ų51.550%0.49525%0.248SC..Hα-helixtrans-61.9-42.1175-71.1-179.217500112.2Y797 I803 S804 N805Y797-E801 PolarHBondContact O-N 3.35Å; E801-I803 VanDerWaalsContact C-N 3.33Å; E801-I803 PolarHBondContact O-N 3.21Å; E801-S804 PolarHBondContact O-N 2.69Å; E801-N805 WeakPolarHBondContact O-CB 3.36Å; E801-N805 VanDerWaalsContact O-CG 3.31Å; E801-N805 PolarHBondContact O-N 2.89Å; E801-N805 PolarHBondContact O-ND2 2.86Å; E801-N805 VanDerWaalsContact O-ND2 3.09Å
802Q86.7Confident86.4Confident66 Ų6647 Ų4731%0.30823%0.225SC..Hα-helixtrans-62.4-41.5175.4-73.5175.733.300112.1F753 A798 A799 V800 N805 I806F753-Q802 HydrophobicContact CE1-CB 3.92Å; A798-Q802 VanDerWaalsContact O-CG 3.25Å; A798-Q802 WeakPolarHBondContact O-CG 3.44Å; A798-Q802 PolarHBondContact O-N 3.38Å; A799-Q802 PolarHBondContact O-N 3.12Å; V800-Q802 PolarHBondContact O-N 3.36Å; Q802-N805 PolarHBondContact O-N 2.68Å; Q802-I806 WeakPolarHBondContact O-CD1 3.26Å; Q802-I806 VanDerWaalsContact O-CG1 3.25Å; Q802-I806 WeakPolarHBondContact O-CG1 3.06Å; Q802-I806 PolarHBondContact O-N 3.35Å; Q802-I806 VanDerWaalsContact O-N 3.14Å
803I88.2Confident87Confident2 Ų246.5 Ų46.51%0.0122%0.222CC..Hα-helixtrans-60.6-49.7174.3-73.9169.3000110I750 F753 V785 A799 V800 E801 N805 I806 F807 V810I750-I803 HydrophobicContact CG1-CD1 4.45Å; I750-I803 HydrophobicContact CG2-CD1 4.16Å; F753-I803 HydrophobicContact CB-CD1 4.08Å; F753-I803 HydrophobicContact CD1-CD1 3.96Å; F753-I803 HydrophobicContact CD1-CG1 3.67Å; F753-I803 HydrophobicContact CD2-CD1 4.33Å; F753-I803 HydrophobicContact CD2-CG1 4.13Å; F753-I803 HydrophobicContact CE1-CD1 4.49Å; F753-I803 HydrophobicContact CE1-CG1 3.7Å; F753-I803 HydrophobicContact CE2-CG1 4.14Å; F753-I803 HydrophobicContact CG-CD1 3.86Å; F753-I803 HydrophobicContact CG-CG1 3.89Å; F753-I803 HydrophobicContact CZ-CG1 3.93Å; V785-I803 HydrophobicContact CG1-CG2 3.84Å; A799-I803 VanDerWaalsContact O-CG1 3.31Å; A799-I803 WeakPolarHBondContact O-CG1 3.39Å; A799-I803 PolarHBondContact O-N 3.01Å; V800-I803 WeakPolarHBondContact O-CB 3.26Å; V800-I803 PolarHBondContact O-N 3.1Å; E801-I803 VanDerWaalsContact C-N 3.33Å; E801-I803 PolarHBondContact O-N 3.21Å; I803-N805 PolarHBondContact O-N 2.81Å; I803-I806 PolarHBondContact O-N 3.27Å; I803-F807 HydrophobicContact CB-CD2 4.42Å; I803-F807 HydrophobicContact CG2-CD2 3.94Å; I803-F807 WeakPolarHBondContact O-CD2 3.38Å; I803-F807 PolarHBondContact O-N 3.16Å; I803-V810 HydrophobicContact CG2-CG2 3.4Å; I803-V810 VanDerWaalsContact CG2-CG2 3.4Å
804S89.5Confident86.9Confident13 Ų1342.8 Ų42.89%0.09121%0.207CC..Hα-helixtrans-58.8-32.4179.8-179.70000113.1V800 E801 G853 Q858V800-S804 PolarHBondContact O-N 3.37Å; E801-S804 PolarHBondContact O-N 2.69Å; S804-G853 PolarHBondContact OG-O 3.46Å; S804-Q858 PolarHBondContact O-NE2 3.44Å; S804-Q858 PolarHBondContact OG-OE1 2.89Å
805N90.4Very high86.4Confident135 Ų13532.6 Ų32.672%0.72217%0.169SC*.Hα-helixtrans-79.7-30.2178.4-73.9-35.5000114.1E801 Q802 I803E801-N805 WeakPolarHBondContact O-CB 3.36Å; E801-N805 VanDerWaalsContact O-CG 3.31Å; E801-N805 PolarHBondContact O-N 2.89Å; E801-N805 PolarHBondContact O-ND2 2.86Å; E801-N805 VanDerWaalsContact O-ND2 3.09Å; Q802-N805 PolarHBondContact O-N 2.68Å; I803-N805 PolarHBondContact O-N 2.81Å
806I90.4Very high85.5Confident5 Ų529.1 Ų29.13%0.02615%0.154CC..Hα-helixtrans-86.6-40.4-175.5-68.7168000111.4F753 T760 L763 R764 R767 M783 Q802 I803F753-I806 HydrophobicContact CZ-CD1 4.12Å; T760-I806 HydrophobicContact CG2-CD1 3.57Å; L763-I806 HydrophobicContact CB-CG2 4.06Å; R764-I806 HydrophobicContact CG-CD1 3.83Å; R764-I806 HydrophobicContact CG-CG1 3.79Å; R767-I806 WeakPolarHBondContact CD-O 3.36Å; R767-I806 PolarHBondContact NE-O 3.24Å; M783-I806 HydrophobicContact CE-CG2 4.01Å; Q802-I806 WeakPolarHBondContact O-CD1 3.26Å; Q802-I806 VanDerWaalsContact O-CG1 3.25Å; Q802-I806 WeakPolarHBondContact O-CG1 3.06Å; Q802-I806 PolarHBondContact O-N 3.35Å; Q802-I806 VanDerWaalsContact O-N 3.14Å; I803-I806 PolarHBondContact O-N 3.27Å
807F92.6Very high84.2Confident5 Ų530 Ų302%0.02216%0.158CC..  trans-102.1145.9-170.4-62.7-75.8000111.9F745 F753 L763 M783 S784 V785 I803 H809F745-F807 AromaticContact CD2-CE1 3.91Å; F745-F807 HydrophobicContact CD2-CE1 3.91Å; F753-F807 HydrophobicContact CE2-CE2 4.32Å; L763-F807 HydrophobicContact CD1-CE2 4.38Å; L763-F807 HydrophobicContact CD1-CZ 3.74Å; L763-F807 HydrophobicContact CD2-CZ 4.45Å; M783-F807 HydrophobicContact CE-CD1 4.2Å; M783-F807 HydrophobicContact CE-CE1 3.62Å; M783-F807 HydrophobicContact CE-CZ 4.28Å; M783-F807 HydrophobicContact CG-CD1 3.81Å; M783-F807 HydrophobicContact CG-CE1 4Å; M783-F807 CarbonylContact O-C 3.46Å; M783-F807 WeakPolarHBondContact O-CA 3.42Å; S784-F807 WeakPolarHBondContact O-CD1 3.49Å; S784-F807 WeakPolarHBondContact O-CE1 3.24Å; V785-F807 HydrophobicContact CB-CD1 3.95Å; V785-F807 HydrophobicContact CB-CD2 3.97Å; V785-F807 HydrophobicContact CB-CE1 3.85Å; V785-F807 HydrophobicContact CB-CE2 3.86Å; V785-F807 HydrophobicContact CB-CG 4.01Å; V785-F807 HydrophobicContact CB-CZ 3.78Å; V785-F807 HydrophobicContact CG1-CB 4.34Å; V785-F807 HydrophobicContact CG1-CD1 4.27Å; V785-F807 HydrophobicContact CG1-CD2 3.59Å; V785-F807 HydrophobicContact CG1-CE2 3.86Å; V785-F807 HydrophobicContact CG1-CG 3.81Å; V785-F807 HydrophobicContact CG1-CZ 4.3Å; V785-F807 HydrophobicContact CG2-CE2 4.26Å; V785-F807 HydrophobicContact CG2-CZ 4.13Å; I803-F807 HydrophobicContact CB-CD2 4.42Å; I803-F807 HydrophobicContact CG2-CD2 3.94Å; I803-F807 WeakPolarHBondContact O-CD2 3.38Å; I803-F807 PolarHBondContact O-N 3.16Å; F807-H809 VanDerWaalsContact C-N 3.26Å; F807-H809 PolarHBondContact O-N 2.94Å
808D91.3Very high82.6Confident52 Ų5232.9 Ų32.928%0.27817%0.168SC..SBendtrans-64.3-35.3173-68.5-62.8000111.7R767 E782 M783R767-D808 IonicContact CZ-OD1 2.88Å; R767-D808 IonicContact CZ-OD2 2.72Å; R767-D808 VanDerWaalsContact NH1-CG 3.28Å; R767-D808 IonicContact NH1-OD1 3.6Å; R767-D808 PolarHBondContact NH1-OD1 3.18Å; R767-D808 IonicContact NH1-OD2 3.72Å; R767-D808 PolarHBondContact NH1-OD2 2.63Å; R767-D808 IonicContact NH2-OD1 2.78Å; R767-D808 PolarHBondContact NH2-OD1 3.2Å; R767-D808 IonicContact NH2-OD2 2.69Å; E782-D808 WeakPolarHBondContact CA-OD2 3.41Å; M783-D808 PolarHBondContact N-OD2 3.16Å; M783-D808 PolarHBondContact O-N 3.47Å
809H92.3Very high80.5Confident1 Ų134.9 Ų34.91%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-157.5161.1179.766-80.1000111.3R633 E782 S784 V785 F807 Q858 V860 L962R633-H809 PolarHBondContact NH1-CD2 3.22Å; R633-H809 VanDerWaalsContact NH1-CD2 3.28Å; R633-H809 PolarHBondContact NH1-CE1 3.28Å; R633-H809 PolarHBondContact NH1-ND1 2.94Å; R633-H809 PolarHBondContact NH1-NE2 3.35Å; R633-H809 PolarHBondContact NH2-CE1 3.35Å; R633-H809 VanDerWaalsContact NH2-CE1 3.26Å; E782-H809 IonicContact OE2-CE1 3.37Å; S784-H809 WeakPolarHBondContact CA-O 3.47Å; S784-H809 WeakPolarHBondContact CB-CE1 3.42Å; S784-H809 WeakPolarHBondContact CB-ND1 3.49Å; S784-H809 WeakPolarHBondContact CB-NE2 3.2Å; S784-H809 WeakPolarHBondContact CB-O 3.2Å; S784-H809 PolarHBondContact OG-CE1 3.08Å; S784-H809 PolarHBondContact OG-NE2 2.89Å; V785-H809 PolarHBondContact N-O 3.48Å; F807-H809 VanDerWaalsContact C-N 3.26Å; F807-H809 PolarHBondContact O-N 2.94Å; H809-Q858 CarbonylContact C-O 3.52Å; H809-Q858 WeakPolarHBondContact CA-O 3.29Å; H809-Q858 WeakPolarHBondContact CB-O 3.45Å; H809-V860 HydrophobicContact CB-CG2 4.43Å; H809-L962 HydrophobicContact CB-CD2 3.46Å; H809-L962 VanDerWaalsContact CB-CD2 3.46Å
810V92.2Very high78.3Confident1 Ų136.8 Ų36.81%0.00619%0.192CC..EExtended strand (participates in β ladder)trans-119.2121.4177.9-1800000108.5V785 V787 I803 L812 L854 Q858 I859 V860V785-V810 HydrophobicContact CG1-CB 4.38Å; V785-V810 HydrophobicContact CG1-CG1 4.19Å; V785-V810 HydrophobicContact CG1-CG2 3.97Å; V785-V810 CarbonylContact O-C 3.59Å; V785-V810 WeakPolarHBondContact O-CA 3.34Å; V787-V810 HydrophobicContact CG1-CG1 4.47Å; V787-V810 HydrophobicContact CG2-CG1 3.6Å; I803-V810 HydrophobicContact CG2-CG2 3.4Å; I803-V810 VanDerWaalsContact CG2-CG2 3.4Å; V810-L812 HydrophobicContact CG1-CD2 3.96Å; V810-L812 PolarHBondContact O-N 3.1Å; V810-L854 HydrophobicContact CB-CD1 4.21Å; V810-L854 HydrophobicContact CB-CD2 3.92Å; V810-L854 HydrophobicContact CG1-CD2 4.07Å; V810-L854 HydrophobicContact CG2-CD1 3.63Å; V810-L854 HydrophobicContact CG2-CD2 3.98Å; V810-L854 HydrophobicContact CG2-CG 4.48Å; V810-Q858 PolarHBondContact N-O 2.88Å; V810-I859 WeakPolarHBondContact O-CA 3.25Å; V810-V860 PolarHBondContact O-N 3.02Å
811T91.8Very high76Confident0 Ų045 Ų450%024%0.236CC..EExtended strand (participates in β ladder)trans-86.3105.7172.8-57.10000108.9Y637 E744 V785 A786 V787 V860 A862 A965Y637-T811 WeakPolarHBondContact OH-CG2 3.44Å; E744-T811 PolarHBondContact OE2-OG1 3.01Å; V785-T811 PolarHBondContact O-N 3.34Å; A786-T811 CarbonylContact C-O 3.57Å; A786-T811 VanDerWaalsContact CA-O 3.31Å; A786-T811 WeakPolarHBondContact CA-O 3.22Å; V787-T811 PolarHBondContact N-O 3.24Å; T811-V860 CarbonylContact C-O 3.52Å; T811-V860 VanDerWaalsContact CA-O 3.28Å; T811-V860 WeakPolarHBondContact CA-O 3.31Å; T811-V860 HydrophobicContact CG2-CB 4.49Å; T811-V860 HydrophobicContact CG2-CG1 4.4Å; T811-A862 HydrophobicContact CG2-CB 3.7Å; T811-A965 HydrophobicContact CG2-CB 4.13Å
812L86.6Confident73.7Confident1 Ų148.5 Ų48.51%0.00525%0.25CC..EExtended strand (participates in β ladder)trans-82.4117.6175.4-67.6-174.5000109.5V787 T789 V810 S814 V845 I859 V860 A862V787-L812 HydrophobicContact CG2-CD2 3.43Å; V787-L812 VanDerWaalsContact CG2-CD2 3.43Å; T789-L812 HydrophobicContact CG2-CB 4.03Å; V810-L812 HydrophobicContact CG1-CD2 3.96Å; V810-L812 PolarHBondContact O-N 3.1Å; L812-S814 PolarHBondContact O-N 2.98Å; L812-V845 HydrophobicContact CD1-CG1 4.44Å; L812-I859 HydrophobicContact CB-CG2 4.38Å; L812-I859 HydrophobicContact CD1-CD1 4.06Å; L812-I859 HydrophobicContact CD1-CG1 4.42Å; L812-I859 HydrophobicContact CD1-CG2 3.7Å; L812-I859 HydrophobicContact CG-CG2 3.9Å; L812-V860 PolarHBondContact N-O 3.15Å; L812-A862 PolarHBondContact O-N 3.49Å
813L83.2Confident71.3Confident2 Ų250.4 Ų50.41%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-79.3112.2177.5-56.2173.2000109.7A786 V787 E788 T789 F815 A862A786-L813 HydrophobicContact CB-CD2 4.35Å; V787-L813 WeakPolarHBondContact O-CB 3.47Å; V787-L813 WeakPolarHBondContact O-CG 3.17Å; V787-L813 PolarHBondContact O-N 3.12Å; E788-L813 HydrophobicContact CG-CD1 4.06Å; T789-L813 WeakPolarHBondContact CG2-O 3.42Å; T789-L813 PolarHBondContact OG1-O 3.31Å; L813-F815 HydrophobicContact CB-CD2 4.02Å; L813-F815 HydrophobicContact CB-CE2 3.89Å; L813-F815 HydrophobicContact CB-CZ 4.29Å; L813-F815 HydrophobicContact CD1-CE2 4.34Å; L813-F815 HydrophobicContact CD2-CE2 3.81Å; L813-F815 HydrophobicContact CD2-CZ 3.78Å; L813-F815 HydrophobicContact CG-CE2 4.23Å; L813-F815 PolarHBondContact O-N 3.28Å; L813-A862 HydrophobicContact CD2-CB 3.81Å
814S74Confident68.6Low21 Ų2153.3 Ų53.315%0.14729%0.287CS..SBendtrans-69.315.8177.262.80000114.4L812 L836 A862L812-S814 PolarHBondContact O-N 2.98Å; S814-L836 WeakPolarHBondContact O-CD1 3.46Å; S814-A862 VanDerWaalsContact CB-O 3.32Å; S814-A862 WeakPolarHBondContact CB-O 3.35Å; S814-A862 PolarHBondContact N-O 3.14Å; S814-A862 PolarHBondContact OG-O 3.21Å
815F71Confident65.7Low0 Ų059.3 Ų59.30%033%0.326CS..SBendtrans-151156.9-171.848.6-108000109.8L813 I831 H832 A862 P864 F866 H967L813-F815 HydrophobicContact CB-CD2 4.02Å; L813-F815 HydrophobicContact CB-CE2 3.89Å; L813-F815 HydrophobicContact CB-CZ 4.29Å; L813-F815 HydrophobicContact CD1-CE2 4.34Å; L813-F815 HydrophobicContact CD2-CE2 3.81Å; L813-F815 HydrophobicContact CD2-CZ 3.78Å; L813-F815 HydrophobicContact CG-CE2 4.23Å; L813-F815 PolarHBondContact O-N 3.28Å; F815-I831 HydrophobicContact CB-CG2 3.78Å; F815-I831 HydrophobicContact CD1-CG2 4.39Å; F815-I831 HydrophobicContact CD2-CB 4.39Å; F815-I831 HydrophobicContact CD2-CG2 2.91Å; F815-I831 HydrophobicContact CE2-CD1 4.28Å; F815-I831 HydrophobicContact CE2-CG2 3.43Å; F815-I831 VanDerWaalsContact CE2-CG2 3.43Å; F815-I831 HydrophobicContact CG-CG2 3.45Å; F815-I831 VanDerWaalsContact CG-CG2 3.45Å; F815-I831 HydrophobicContact CZ-CG2 4.37Å; F815-H832 VanDerWaalsContact CA-O 3.22Å; F815-H832 WeakPolarHBondContact CA-O 3.48Å; F815-H832 WeakPolarHBondContact CB-O 3.4Å; F815-A862 HydrophobicContact CE1-CB 4.35Å; F815-A862 HydrophobicContact CZ-CB 4.4Å; F815-P864 HydrophobicContact CD1-CB 3.81Å; F815-P864 HydrophobicContact CD1-CG 4.11Å; F815-P864 HydrophobicContact CE1-CB 4.11Å; F815-F866 HydrophobicContact CG-CZ 4.46Å; F815-H967 HydrophobicContact CE1-CB 3.94Å; F815-H967 AromaticContact CE2-CD2 3.95Å; F815-H967 HydrophobicContact CZ-CB 3.5Å; F815-H967 AromaticContact CZ-CD2 3.6Å; F815-H967 AromaticContact CZ-CG 3.52Å
816K62.2Low63.1Low73 Ų7355.6 Ų55.632%0.31732%0.319SS..EExtended strand (participates in β ladder)trans-100.6145.6177.7-67.2-172-175.9168.60112.1R818 I831 H832 D835K816-R818 PolarHBondContact O-N 2.75Å; K816-I831 CarbonylContact O-C 3.38Å; K816-I831 WeakPolarHBondContact O-CA 3.48Å; K816-H832 PolarHBondContact N-O 2.85Å; K816-H832 VanDerWaalsContact N-O 3.13Å; K816-H832 PolarHBondContact O-N 3.48Å; K816-D835 HydrophobicContact CB-CB 4.49Å; K816-D835 HydrophobicContact CD-CB 3.8Å; K816-D835 HydrophobicContact CG-CB 4.05Å
817H55.1Low60.1Low38 Ų3858.3 Ų58.318%0.17635%0.349CS..EExtended strand (participates in β ladder)trans-81.4113.7163.8-63.375.7000109.1Q746 E788Q746-H817 PolarHBondContact NE2-CE1 3.07Å; Q746-H817 PolarHBondContact NE2-NE2 2.82Å; E788-H817 WeakPolarHBondContact OE1-CA 3.45Å; E788-H817 WeakPolarHBondContact OE1-CB 3.33Å; E788-H817 IonicContact OE1-CG 3.53Å; E788-H817 VanDerWaalsContact OE1-CG 3.3Å; E788-H817 PolarHBondContact OE1-N 3.5Å; E788-H817 IonicContact OE1-ND1 3.13Å; E788-H817 PolarHBondContact OE1-ND1 3.03Å
818R52.5Low57.2Low108 Ų10861.5 Ų61.541%0.40837%0.365SS..EExtended strand (participates in β ladder)trans-104.7129164-74.7-160.9-161.4176.98.9109.4K816 A820 N830 D835K816-R818 PolarHBondContact O-N 2.75Å; R818-A820 PolarHBondContact O-N 2.69Å; R818-N830 CarbonylContact C-O 3.39Å; R818-N830 PolarHBondContact N-O 3.44Å; R818-N830 CarbonylContact O-C 3.55Å; R818-D835 IonicContact CZ-OD2 2.83Å; R818-D835 IonicContact NE-OD2 3.73Å; R818-D835 PolarHBondContact NE-OD2 2.98Å; R818-D835 IonicContact NH2-OD1 3.65Å; R818-D835 PolarHBondContact NH2-OD1 2.71Å; R818-D835 VanDerWaalsContact NH2-OD1 3.13Å; R818-D835 IonicContact NH2-OD2 2.71Å; R818-D835 PolarHBondContact NH2-OD2 3.45Å
819P41.8Very low54.4Low98 Ų9864.2 Ų64.264%0.63637%0.372SS*.  trans-69126.8167.928-27000108.6
820A36.7Very low51.4Low45 Ų4566.5 Ų66.537%0.37239%0.385SS..  trans-68.4141.5156.800000108.2R818 K822 N830R818-A820 PolarHBondContact O-N 2.69Å; A820-K822 PolarHBondContact O-N 3.26Å; A820-N830 WeakPolarHBondContact CB-ND2 3.41Å
821N40.8Very low48.8Very low173 Ų17366.9 Ų66.993%0.92539%0.386SS*.SBendtrans-61.32.5175-83.2-19.1000114.3
822K38Very low46.4Very low179 Ų17967.3 Ų67.378%0.77839%0.388SS*.SBendtrans-147123159.7-68.9-174179174.70109.2A820A820-K822 PolarHBondContact O-N 3.26Å
823P36Very low44.2Very low106 Ų10668.1 Ų68.169%0.68839%0.394SS*.  trans-67.4140.9171.427.7-31.2000109.7
824P32.3Very low42.4Very low64 Ų6468.6 Ų68.642%0.41640%0.397SS..  trans-64.1154.5167.626.1-30.2000110.1G826 G827P824-G826 PolarHBondContact O-N 3.05Å; P824-G827 PolarHBondContact O-N 3.37Å
825P28.5Very low40.9Very low139 Ų13968.5 Ų68.590%0.90340%0.395SS*.THydrogen-bonded Turntrans-61.3110.5173.1-8.823000108.1
826G36.6Very low39.5Very low56 Ų5669.2 Ų69.258%0.57740%0.399SS*.THydrogen-bonded Turntrans136.7-5.6-174.600000116.3P824P824-G826 PolarHBondContact O-N 3.05Å
827G26.9Very low38.7Very low63 Ų6368.6 Ų68.665%0.64940%0.398SS*.  trans74.733.4156.700000118.1P824P824-G827 PolarHBondContact O-N 3.37Å
828I32.4Very low38.1Very low72 Ų7269.5 Ų69.537%0.36940%0.404SS..  trans-119132.9176.2-53.1178.8000110.4M968I828-M968 HydrophobicContact CD1-SD 4.37Å
829Y32.1Very low37.6Very low108 Ų10867.5 Ų67.542%0.42441%0.406SS..  trans-68.5140.4177.1-66.1-85.8000110.5K707 I831K707-Y829 VanDerWaalsContact NZ-CZ 3.33Å; K707-Y829 PolarHBondContact NZ-OH 3.33Å; Y829-I831 WeakPolarHBondContact O-CG1 3.31Å
830N29.9Very low38Very low50 Ų5064.4 Ų64.427%0.26738%0.384SS..EExtended strand (participates in β ladder)trans-79.9139178.1-67.6-30000110.2R818 A820 Y900R818-N830 CarbonylContact C-O 3.39Å; R818-N830 PolarHBondContact N-O 3.44Å; R818-N830 CarbonylContact O-C 3.55Å; A820-N830 WeakPolarHBondContact CB-ND2 3.41Å; N830-Y900 HydrophobicContact CB-CD2 4.11Å; N830-Y900 HydrophobicContact CB-CE2 4.21Å
831I37.1Very low39Very low8 Ų865.8 Ų65.84%0.04139%0.389CS..EExtended strand (participates in β ladder)trans-123.5133-167-53.2-178.2000108.3F815 K816 Y829 F866 Y900 H967F815-I831 HydrophobicContact CB-CG2 3.78Å; F815-I831 HydrophobicContact CD1-CG2 4.39Å; F815-I831 HydrophobicContact CD2-CB 4.39Å; F815-I831 HydrophobicContact CD2-CG2 2.91Å; F815-I831 HydrophobicContact CE2-CD1 4.28Å; F815-I831 HydrophobicContact CE2-CG2 3.43Å; F815-I831 VanDerWaalsContact CE2-CG2 3.43Å; F815-I831 HydrophobicContact CG-CG2 3.45Å; F815-I831 VanDerWaalsContact CG-CG2 3.45Å; F815-I831 HydrophobicContact CZ-CG2 4.37Å; K816-I831 CarbonylContact O-C 3.38Å; K816-I831 WeakPolarHBondContact O-CA 3.48Å; Y829-I831 WeakPolarHBondContact O-CG1 3.31Å; I831-F866 HydrophobicContact CB-CE1 3.93Å; I831-F866 HydrophobicContact CB-CE2 3.8Å; I831-F866 HydrophobicContact CB-CZ 3.34Å; I831-F866 HydrophobicContact CD1-CE1 4.19Å; I831-F866 HydrophobicContact CD1-CZ 4.44Å; I831-F866 HydrophobicContact CG1-CZ 4.44Å; I831-F866 HydrophobicContact CG2-CE1 3.96Å; I831-F866 HydrophobicContact CG2-CE2 4.04Å; I831-F866 HydrophobicContact CG2-CZ 3.26Å; I831-F866 WeakPolarHBondContact O-CE2 3.27Å; I831-Y900 WeakPolarHBondContact O-CD1 3.5Å; I831-Y900 WeakPolarHBondContact O-CE1 3.39Å; I831-H967 WeakPolarHBondContact CD1-CD2 3.42Å; I831-H967 WeakPolarHBondContact CD1-NE2 3.3Å
832H40.5Very low40.2Very low10 Ų1059.2 Ų59.25%0.04635%0.354CS..EExtended strand (participates in β ladder)trans-106.4108.4-172.4-168.7-76000111.2F815 K816 S834 D835 Y900F815-H832 VanDerWaalsContact CA-O 3.22Å; F815-H832 WeakPolarHBondContact CA-O 3.48Å; F815-H832 WeakPolarHBondContact CB-O 3.4Å; K816-H832 PolarHBondContact N-O 2.85Å; K816-H832 VanDerWaalsContact N-O 3.13Å; K816-H832 PolarHBondContact O-N 3.48Å; H832-S834 VanDerWaalsContact C-N 3.27Å; H832-S834 VanDerWaalsContact CE1-C 3.41Å; H832-S834 WeakPolarHBondContact CE1-CB 3.48Å; H832-S834 WeakPolarHBondContact ND1-CA 3.44Å; H832-S834 PolarHBondContact ND1-N 2.62Å; H832-S834 PolarHBondContact O-N 2.8Å; H832-D835 PolarHBondContact CE1-N 3.3Å; H832-D835 VanDerWaalsContact CE1-N 3.29Å; H832-D835 IonicContact CE1-OD1 3.2Å; H832-D835 PolarHBondContact CE1-OD1 3.33Å; H832-D835 IonicContact CE1-OD2 3.07Å; H832-D835 IonicContact CG-OD2 2.66Å; H832-D835 VanDerWaalsContact ND1-CB 3.32Å; H832-D835 WeakPolarHBondContact ND1-CB 3.34Å; H832-D835 PolarHBondContact ND1-N 3.42Å; H832-D835 IonicContact ND1-OD1 2.71Å; H832-D835 PolarHBondContact ND1-OD1 2.81Å; H832-D835 IonicContact ND1-OD2 2.73Å; H832-D835 IonicContact NE2-OD1 3.9Å; H832-Y900 PolarHBondContact CD2-OH 2.82Å
833P41.2Very low41.4Very low18 Ų1851.8 Ų51.812%0.11732%0.322CS..THydrogen-bonded Turntrans-69.7-22.1177.3-16.431.5000113.7P864 F866 S868P833-P864 HydrophobicContact CB-CG 4.24Å; P833-F866 HydrophobicContact CG-CD2 4.07Å; P833-F866 HydrophobicContact CG-CE2 3.48Å; P833-F866 VanDerWaalsContact CG-CE2 3.48Å; P833-F866 HydrophobicContact CG-CZ 4.26Å; P833-S868 WeakPolarHBondContact CD-OG 3.18Å
834S44.1Very low42.7Very low11 Ų1149.8 Ų49.88%0.07731%0.306CS..THydrogen-bonded Turntrans-95.6-4.9-163.4-17.20000114.3H832 L836 Y870H832-S834 VanDerWaalsContact C-N 3.27Å; H832-S834 VanDerWaalsContact CE1-C 3.41Å; H832-S834 WeakPolarHBondContact CE1-CB 3.48Å; H832-S834 WeakPolarHBondContact ND1-CA 3.44Å; H832-S834 PolarHBondContact ND1-N 2.62Å; H832-S834 PolarHBondContact O-N 2.8Å; S834-L836 PolarHBondContact O-N 3.04Å; S834-Y870 PolarHBondContact OG-OH 2.86Å; S834-Y870 VanDerWaalsContact OG-OH 3.12Å
835D42.9Very low44.6Very low20 Ų2047 Ų4711%0.10729%0.288CS..THydrogen-bonded Turntrans-86.8-9.7-166.2-98.7-8.8000112.5K816 R818 H832K816-D835 HydrophobicContact CB-CB 4.49Å; K816-D835 HydrophobicContact CD-CB 3.8Å; K816-D835 HydrophobicContact CG-CB 4.05Å; R818-D835 IonicContact CZ-OD2 2.83Å; R818-D835 IonicContact NE-OD2 3.73Å; R818-D835 PolarHBondContact NE-OD2 2.98Å; R818-D835 IonicContact NH2-OD1 3.65Å; R818-D835 PolarHBondContact NH2-OD1 2.71Å; R818-D835 VanDerWaalsContact NH2-OD1 3.13Å; R818-D835 IonicContact NH2-OD2 2.71Å; R818-D835 PolarHBondContact NH2-OD2 3.45Å; H832-D835 PolarHBondContact CE1-N 3.3Å; H832-D835 VanDerWaalsContact CE1-N 3.29Å; H832-D835 IonicContact CE1-OD1 3.2Å; H832-D835 PolarHBondContact CE1-OD1 3.33Å; H832-D835 IonicContact CE1-OD2 3.07Å; H832-D835 IonicContact CG-OD2 2.66Å; H832-D835 VanDerWaalsContact ND1-CB 3.32Å; H832-D835 WeakPolarHBondContact ND1-CB 3.34Å; H832-D835 PolarHBondContact ND1-N 3.42Å; H832-D835 IonicContact ND1-OD1 2.71Å; H832-D835 PolarHBondContact ND1-OD1 2.81Å; H832-D835 IonicContact ND1-OD2 2.73Å; H832-D835 IonicContact NE2-OD1 3.9Å
836L42.8Very low46.7Very low15 Ų1540.6 Ų40.68%0.07925%0.246CC..THydrogen-bonded Turntrans-97.3-32.2173.8-85.3115.1000113.9T789 S814 S834 D838 S839 L840 V845T789-L836 HydrophobicContact CG2-CD2 4.24Å; T789-L836 WeakPolarHBondContact OG1-CD1 3.37Å; T789-L836 WeakPolarHBondContact OG1-CD2 3.38Å; T789-L836 WeakPolarHBondContact OG1-CG 3.28Å; S814-L836 WeakPolarHBondContact O-CD1 3.46Å; S834-L836 PolarHBondContact O-N 3.04Å; L836-D838 PolarHBondContact O-N 3.39Å; L836-D838 VanDerWaalsContact O-N 3.09Å; L836-S839 PolarHBondContact O-N 3.24Å; L836-L840 CarbonylContact O-C 3.41Å; L836-L840 PolarHBondContact O-N 3.49Å; L836-V845 HydrophobicContact CD2-CG2 3.92Å
837M44.7Very low48.5Very low60 Ų6041.9 Ų41.930%0.29624%0.239SC..THydrogen-bonded Turntrans-62.7-18.3175.7-67.1-68.9-174.100113Q923M837-Q923 HydrophobicContact CE-CB 4.3Å; M837-Q923 WeakPolarHBondContact CE-O 3.26Å; M837-Q923 HydrophobicContact SD-CB 3.92Å; M837-Q923 HydrophobicContact SD-CG 4.31Å
838D41.6Very low50.7Low57 Ų5741.1 Ų41.131%0.30522%0.22SC..THydrogen-bonded Turntrans-90.9-12.1-177.9-82.18.1000114.8L836 A889L836-D838 PolarHBondContact O-N 3.39Å; L836-D838 VanDerWaalsContact O-N 3.09Å; D838-A889 VanDerWaalsContact OD1-CA 3.22Å; D838-A889 WeakPolarHBondContact OD1-CA 3.3Å; D838-A889 WeakPolarHBondContact OD1-CB 3.12Å
839S43Very low53Low65 Ų6537.8 Ų37.846%0.45520%0.204SC..THydrogen-bonded Turntrans-131.9-35.1-175.6560000115.7L836L836-S839 PolarHBondContact O-N 3.24Å
840L50.5Low55.5Low34 Ų3434.9 Ų34.918%0.17820%0.202CC..  trans-155.4123.4175-77175.5000109.8I791 L836 D844 V845 L848I791-L840 HydrophobicContact CB-CD1 4.26Å; I791-L840 HydrophobicContact CD1-CD1 4.24Å; I791-L840 HydrophobicContact CG1-CD1 3.7Å; I791-L840 HydrophobicContact CG1-CG 4.38Å; I791-L840 HydrophobicContact CG2-CD1 4.19Å; L836-L840 CarbonylContact O-C 3.41Å; L836-L840 PolarHBondContact O-N 3.49Å; L840-D844 HydrophobicContact CB-CB 4.32Å; L840-D844 HydrophobicContact CD2-CB 3.97Å; L840-V845 HydrophobicContact CB-CG2 4.2Å; L840-L848 HydrophobicContact CD1-CD1 3.95Å
841P58Low58.1Low73 Ų7339.9 Ų39.947%0.47422%0.221SC..  trans-43.4143.5163.5-27.932.8000112D843 D844 V845P841-D843 HydrophobicContact CB-CB 4.39Å; P841-D843 PolarHBondContact O-N 2.96Å; P841-D844 VanDerWaalsContact CD-OD2 3.32Å; P841-D844 WeakPolarHBondContact CD-OD2 3.42Å; P841-D844 WeakPolarHBondContact O-CB 3.3Å; P841-D844 PolarHBondContact O-N 3Å; P841-V845 PolarHBondContact O-N 3.49Å
842I65.5Low60.4Low36 Ų3639.5 Ų39.519%0.18522%0.219CC..Hα-helixtrans-58.1-25177.8-170.763.7000112.2T789 V845 I846 L861 Y955T789-I842 HydrophobicContact CG2-CD1 4.4Å; I842-V845 HydrophobicContact CD1-CB 4.3Å; I842-V845 PolarHBondContact O-N 3.07Å; I842-I846 WeakPolarHBondContact O-CG1 3.47Å; I842-I846 PolarHBondContact O-N 2.91Å; I842-L861 HydrophobicContact CD1-CD1 3.66Å; I842-L861 HydrophobicContact CG1-CD1 3.75Å; I842-L861 HydrophobicContact CG1-CD2 4.29Å; I842-Y955 VanDerWaalsContact C-OH 3.27Å; I842-Y955 HydrophobicContact CG1-CE1 4.44Å; I842-Y955 HydrophobicContact CG2-CE1 4.02Å; I842-Y955 HydrophobicContact CG2-CE2 4.42Å; I842-Y955 PolarHBondContact O-OH 3.33Å
843D63.2Low62.7Low22 Ų2240.4 Ų40.412%0.11823%0.232CC..Hα-helixtrans-55.7-51.1169.5-91.7-51000112.6P841 V845 I846 N847 Y955 K959P841-D843 HydrophobicContact CB-CB 4.39Å; P841-D843 PolarHBondContact O-N 2.96Å; D843-V845 VanDerWaalsContact C-N 3.29Å; D843-V845 PolarHBondContact O-N 3.41Å; D843-I846 PolarHBondContact O-N 2.83Å; D843-N847 WeakPolarHBondContact O-CB 3.37Å; D843-N847 VanDerWaalsContact O-CG 3.26Å; D843-N847 PolarHBondContact O-N 2.97Å; D843-N847 PolarHBondContact O-ND2 2.78Å; D843-Y955 WeakPolarHBondContact CA-OH 3.3Å; D843-Y955 VanDerWaalsContact CG-CE2 3.49Å; D843-Y955 PolarHBondContact N-OH 2.92Å; D843-Y955 WeakPolarHBondContact OD1-CE2 3.35Å; D843-Y955 PolarHBondContact OD1-OH 3.01Å; D843-Y955 VanDerWaalsContact OD1-OH 3.06Å; D843-K959 WeakPolarHBondContact OD1-CE 3.45Å; D843-K959 IonicContact OD1-NZ 3.85Å; D843-K959 PolarHBondContact OD1-NZ 2.75Å
844D63.6Low65Low65 Ų6539.7 Ų39.735%0.34823%0.227SC..Hα-helixtrans-65.7-37.4-179.7-64.2-21.8000110.8L840 P841 I846 N847 L848L840-D844 HydrophobicContact CB-CB 4.32Å; L840-D844 HydrophobicContact CD2-CB 3.97Å; P841-D844 VanDerWaalsContact CD-OD2 3.32Å; P841-D844 WeakPolarHBondContact CD-OD2 3.42Å; P841-D844 WeakPolarHBondContact O-CB 3.3Å; P841-D844 PolarHBondContact O-N 3Å; D844-I846 PolarHBondContact O-N 2.66Å; D844-N847 PolarHBondContact O-N 2.97Å; D844-L848 WeakPolarHBondContact O-CB 3.46Å; D844-L848 WeakPolarHBondContact O-CG 3.42Å; D844-L848 PolarHBondContact O-N 2.84Å
845V70.5Confident67Low6 Ų641.3 Ų41.34%0.03624%0.237CC..Hα-helixtrans-62.8-43.4176.2-179.50000111.1T789 L812 L836 L840 P841 I842 D843 S849T789-V845 HydrophobicContact CG2-CG1 3.82Å; L812-V845 HydrophobicContact CD1-CG1 4.44Å; L836-V845 HydrophobicContact CD2-CG2 3.92Å; L840-V845 HydrophobicContact CB-CG2 4.2Å; P841-V845 PolarHBondContact O-N 3.49Å; I842-V845 HydrophobicContact CD1-CB 4.3Å; I842-V845 PolarHBondContact O-N 3.07Å; D843-V845 VanDerWaalsContact C-N 3.29Å; D843-V845 PolarHBondContact O-N 3.41Å; V845-S849 VanDerWaalsContact O-CB 3.25Å; V845-S849 WeakPolarHBondContact O-CB 3.42Å; V845-S849 PolarHBondContact O-N 3.01Å; V845-S849 PolarHBondContact O-OG 2.97Å
846I74.4Confident68.9Low4 Ų441.4 Ų41.42%0.02124%0.24CC..Hα-helixtrans-67.3-44.6177.7-69.1-179.6000110.7I842 D843 D844 S849 A850 I859 Y955 L961I842-I846 WeakPolarHBondContact O-CG1 3.47Å; I842-I846 PolarHBondContact O-N 2.91Å; D843-I846 PolarHBondContact O-N 2.83Å; D844-I846 PolarHBondContact O-N 2.66Å; I846-S849 PolarHBondContact O-N 2.75Å; I846-A850 WeakPolarHBondContact O-CB 3.45Å; I846-A850 PolarHBondContact O-N 3.39Å; I846-I859 HydrophobicContact CG2-CD1 4.37Å; I846-Y955 HydrophobicContact CD1-CE1 3.58Å; I846-Y955 WeakPolarHBondContact CD1-OH 3.31Å; I846-L961 HydrophobicContact CD1-CD1 3.62Å; I846-L961 HydrophobicContact CD1-CD2 3.84Å; I846-L961 HydrophobicContact CD1-CG 4.29Å; I846-L961 HydrophobicContact CG2-CD2 3.98Å
847N72.5Confident71Confident82 Ų8249.1 Ų49.144%0.43927%0.268SS..Hα-helixtrans-63.3-44.1178.5-71.3-24000111.9D843 D844 S849 A850 K851D843-N847 WeakPolarHBondContact O-CB 3.37Å; D843-N847 VanDerWaalsContact O-CG 3.26Å; D843-N847 PolarHBondContact O-N 2.97Å; D843-N847 PolarHBondContact O-ND2 2.78Å; D844-N847 PolarHBondContact O-N 2.97Å; N847-S849 VanDerWaalsContact C-N 3.34Å; N847-A850 PolarHBondContact O-N 3.35Å; N847-K851 WeakPolarHBondContact O-CB 3.38Å; N847-K851 PolarHBondContact O-N 2.96Å
848L74.6Confident73.1Confident48 Ų4848.1 Ų48.125%0.25126%0.263SS..Hα-helixtrans-66.5-36.4175.7-71.9170.6000111.8L840 D844 K851 A852L840-L848 HydrophobicContact CD1-CD1 3.95Å; D844-L848 WeakPolarHBondContact O-CB 3.46Å; D844-L848 WeakPolarHBondContact O-CG 3.42Å; D844-L848 PolarHBondContact O-N 2.84Å; L848-K851 PolarHBondContact O-N 2.88Å; L848-A852 VanDerWaalsContact O-CB 3.29Å; L848-A852 WeakPolarHBondContact O-CB 3.34Å; L848-A852 PolarHBondContact O-N 3.42Å
849S80.4Confident75.4Confident2 Ų245.4 Ų45.41%0.01425%0.249CC..Hα-helixtrans-65.2-43174.2-610000111.4V845 I846 N847 K851 A852 G853 L854V845-S849 VanDerWaalsContact O-CB 3.25Å; V845-S849 WeakPolarHBondContact O-CB 3.42Å; V845-S849 PolarHBondContact O-N 3.01Å; V845-S849 PolarHBondContact O-OG 2.97Å; I846-S849 PolarHBondContact O-N 2.75Å; N847-S849 VanDerWaalsContact C-N 3.34Å; S849-K851 VanDerWaalsContact C-N 3.35Å; S849-K851 PolarHBondContact O-N 3.04Å; S849-A852 CarbonylContact O-C 3.54Å; S849-A852 PolarHBondContact O-N 3.47Å; S849-A852 VanDerWaalsContact O-N 3.16Å; S849-G853 PolarHBondContact O-N 2.97Å; S849-L854 CarbonylContact C-O 3.56Å; S849-L854 WeakPolarHBondContact O-CB 3.2Å; S849-L854 PolarHBondContact O-N 2.78Å
850A84Confident77.6Confident47 Ų4742.3 Ų42.339%0.38823%0.227SC..Hα-helixtrans-60.7-43.9173.900000111.7I846 N847 A852 G853 L854I846-A850 WeakPolarHBondContact O-CB 3.45Å; I846-A850 PolarHBondContact O-N 3.39Å; N847-A850 PolarHBondContact O-N 3.35Å; A850-A852 VanDerWaalsContact C-N 3.27Å; A850-A852 PolarHBondContact O-N 2.83Å; A850-G853 PolarHBondContact O-N 3.48Å; A850-G853 VanDerWaalsContact O-N 3.12Å; A850-L854 VanDerWaalsContact CA-O 3.25Å; A850-L854 WeakPolarHBondContact CA-O 3.34Å; A850-L854 PolarHBondContact N-O 3.29Å
851K85Confident79.3Confident154 Ų15440.8 Ų40.867%0.6722%0.219SC*.Hα-helixtrans-64.1-30.9175-169.6174-176.3171.40113.1Y797 N847 L848 S849 G853Y797-K851 HydrophobicContact CE2-CG 4.36Å; N847-K851 WeakPolarHBondContact O-CB 3.38Å; N847-K851 PolarHBondContact O-N 2.96Å; L848-K851 PolarHBondContact O-N 2.88Å; S849-K851 VanDerWaalsContact C-N 3.35Å; S849-K851 PolarHBondContact O-N 3.04Å; K851-G853 PolarHBondContact O-N 3.46Å
852A85.7Confident80.7Confident0 Ų037.3 Ų37.30%020%0.197CC..THydrogen-bonded Turntrans-81.84.2175.800000114L792 Y797 V800 L848 S849 A850L792-A852 HydrophobicContact CD1-CB 4.16Å; Y797-A852 HydrophobicContact CD1-CB 3.5Å; Y797-A852 VanDerWaalsContact CD1-CB 3.5Å; Y797-A852 HydrophobicContact CD2-CB 4.16Å; Y797-A852 HydrophobicContact CE1-CB 3.61Å; Y797-A852 HydrophobicContact CE2-CB 4.25Å; Y797-A852 HydrophobicContact CG-CB 3.79Å; V800-A852 HydrophobicContact CB-CB 4.05Å; V800-A852 HydrophobicContact CG1-CB 3.91Å; V800-A852 WeakPolarHBondContact CG1-O 3.48Å; V800-A852 HydrophobicContact CG2-CB 4.08Å; L848-A852 VanDerWaalsContact O-CB 3.29Å; L848-A852 WeakPolarHBondContact O-CB 3.34Å; L848-A852 PolarHBondContact O-N 3.42Å; S849-A852 CarbonylContact O-C 3.54Å; S849-A852 PolarHBondContact O-N 3.47Å; S849-A852 VanDerWaalsContact O-N 3.16Å; A850-A852 VanDerWaalsContact C-N 3.27Å; A850-A852 PolarHBondContact O-N 2.83Å
853G88.4Confident81.7Confident30 Ų3035.7 Ų35.731%0.30919%0.188SC..THydrogen-bonded Turntrans96.511.7175.700000115.5S804 S849 A850 K851 P855S804-G853 PolarHBondContact OG-O 3.46Å; S849-G853 PolarHBondContact O-N 2.97Å; A850-G853 PolarHBondContact O-N 3.48Å; A850-G853 VanDerWaalsContact O-N 3.12Å; K851-G853 PolarHBondContact O-N 3.46Å; G853-P855 WeakPolarHBondContact O-CD 3.37Å
854L89Confident82.7Confident2 Ų234.8 Ų34.81%0.0118%0.183CC..  trans-103.2100.1173.5179.663000110.9V800 V810 S849 A850 Q858 I859V800-L854 HydrophobicContact CG1-CB 3.58Å; V810-L854 HydrophobicContact CB-CD1 4.21Å; V810-L854 HydrophobicContact CB-CD2 3.92Å; V810-L854 HydrophobicContact CG1-CD2 4.07Å; V810-L854 HydrophobicContact CG2-CD1 3.63Å; V810-L854 HydrophobicContact CG2-CD2 3.98Å; V810-L854 HydrophobicContact CG2-CG 4.48Å; S849-L854 CarbonylContact C-O 3.56Å; S849-L854 WeakPolarHBondContact O-CB 3.2Å; S849-L854 PolarHBondContact O-N 2.78Å; A850-L854 VanDerWaalsContact CA-O 3.25Å; A850-L854 WeakPolarHBondContact CA-O 3.34Å; A850-L854 PolarHBondContact N-O 3.29Å; L854-Q858 HydrophobicContact CD1-CB 4.04Å; L854-I859 HydrophobicContact CD2-CD1 4.12Å; L854-I859 HydrophobicContact CD2-CG1 3.88Å; L854-I859 HydrophobicContact CG-CD1 4.16Å; L854-I859 HydrophobicContact CG-CG1 3.9Å
855P87.7Confident83.8Confident45 Ų4531.7 Ų31.729%0.29217%0.167SC..  trans-61.5141.3-177.2-21.733.4000112.4G853 R857 Q858G853-P855 WeakPolarHBondContact O-CD 3.37Å; P855-R857 HydrophobicContact CB-CG 3.99Å; P855-R857 PolarHBondContact O-N 2.91Å; P855-R857 VanDerWaalsContact O-N 3.1Å; P855-Q858 WeakPolarHBondContact O-CB 3.38Å; P855-Q858 PolarHBondContact O-N 3.24Å
856A82.5Confident84.5Confident22 Ų2231.7 Ų31.718%0.18217%0.166CC..G310 helixtrans-51-40.4178.200000113.1Q858 I859 K959 N960 L961A856-Q858 PolarHBondContact O-N 2.73Å; A856-I859 WeakPolarHBondContact O-CB 3.37Å; A856-I859 PolarHBondContact O-N 2.86Å; A856-K959 VanDerWaalsContact CB-O 3.23Å; A856-K959 WeakPolarHBondContact CB-O 3.43Å; A856-N960 CarbonylContact C-O 3.54Å; A856-L961 HydrophobicContact CB-CD2 3.85Å; A856-L961 WeakPolarHBondContact O-CA 3.49Å
857R85.6Confident84.9Confident177 Ų17731.5 Ų31.567%0.66817%0.165SC*.G310 helixtrans-61.8-10.1176.468.7176.6-178.6-172.2-1115.8P855 N960 L962P855-R857 HydrophobicContact CB-CG 3.99Å; P855-R857 PolarHBondContact O-N 2.91Å; P855-R857 VanDerWaalsContact O-N 3.1Å; R857-N960 VanDerWaalsContact CA-O 3.32Å; R857-N960 WeakPolarHBondContact CA-O 3.37Å; R857-N960 PolarHBondContact N-O 3.37Å; R857-L962 WeakPolarHBondContact O-CB 3.29Å
858Q90.1Very high85.4Confident40 Ų4027.6 Ų27.619%0.18714%0.144CC..G310 helixtrans-100.9-3.8172.3-74.5-172.2-22.700112.3S804 H809 V810 L854 P855 A856S804-Q858 PolarHBondContact O-NE2 3.44Å; S804-Q858 PolarHBondContact OG-OE1 2.89Å; H809-Q858 CarbonylContact C-O 3.52Å; H809-Q858 WeakPolarHBondContact CA-O 3.29Å; H809-Q858 WeakPolarHBondContact CB-O 3.45Å; V810-Q858 PolarHBondContact N-O 2.88Å; L854-Q858 HydrophobicContact CD1-CB 4.04Å; P855-Q858 WeakPolarHBondContact O-CB 3.38Å; P855-Q858 PolarHBondContact O-N 3.24Å; A856-Q858 PolarHBondContact O-N 2.73Å
859I88.7Confident85.9Confident0 Ų025.6 Ų25.60%013%0.134CC..EExtended strand (participates in β ladder)trans-92.6132.6-176.7-63.5175.9000109.6V810 L812 I846 L854 A856 L961 L962V810-I859 WeakPolarHBondContact O-CA 3.25Å; L812-I859 HydrophobicContact CB-CG2 4.38Å; L812-I859 HydrophobicContact CD1-CD1 4.06Å; L812-I859 HydrophobicContact CD1-CG1 4.42Å; L812-I859 HydrophobicContact CD1-CG2 3.7Å; L812-I859 HydrophobicContact CG-CG2 3.9Å; I846-I859 HydrophobicContact CG2-CD1 4.37Å; L854-I859 HydrophobicContact CD2-CD1 4.12Å; L854-I859 HydrophobicContact CD2-CG1 3.88Å; L854-I859 HydrophobicContact CG-CD1 4.16Å; L854-I859 HydrophobicContact CG-CG1 3.9Å; A856-I859 WeakPolarHBondContact O-CB 3.37Å; A856-I859 PolarHBondContact O-N 2.86Å; I859-L961 HydrophobicContact CB-CD2 3.95Å; I859-L961 HydrophobicContact CG2-CD1 4.36Å; I859-L961 HydrophobicContact CG2-CD2 4.08Å; I859-L961 WeakPolarHBondContact O-CB 3.48Å; I859-L962 VanDerWaalsContact O-CB 3.32Å; I859-L962 WeakPolarHBondContact O-CB 3.43Å; I859-L962 PolarHBondContact O-N 3.44Å
860V89.7Confident86Confident0 Ų025.7 Ų25.70%013%0.134CC..EExtended strand (participates in β ladder)trans-110.6122.8164178.10000107.3H809 V810 T811 L812 L962 G963 A965H809-V860 HydrophobicContact CB-CG2 4.43Å; V810-V860 PolarHBondContact O-N 3.02Å; T811-V860 CarbonylContact C-O 3.52Å; T811-V860 VanDerWaalsContact CA-O 3.28Å; T811-V860 WeakPolarHBondContact CA-O 3.31Å; T811-V860 HydrophobicContact CG2-CB 4.49Å; T811-V860 HydrophobicContact CG2-CG1 4.4Å; L812-V860 PolarHBondContact N-O 3.15Å; V860-L962 HydrophobicContact CG2-CB 4.05Å; V860-L962 HydrophobicContact CG2-CD2 3.95Å; V860-L962 HydrophobicContact CG2-CG 4.26Å; V860-G963 WeakPolarHBondContact CA-O 2.74Å; V860-A965 HydrophobicContact CG1-CB 3.82Å
861L86.3Confident86Confident2 Ų227.1 Ų27.11%0.0113%0.133CC..EExtended strand (participates in β ladder)trans-87.4115.3178.9-179.663.5000110.2I842 L863 Y955 L961 G963 V964 A965I842-L861 HydrophobicContact CD1-CD1 3.66Å; I842-L861 HydrophobicContact CG1-CD1 3.75Å; I842-L861 HydrophobicContact CG1-CD2 4.29Å; L861-L863 HydrophobicContact CD2-CD2 4.05Å; L861-L863 HydrophobicContact CG-CD2 4Å; L861-Y955 HydrophobicContact CD2-CD1 3.91Å; L861-Y955 HydrophobicContact CD2-CE1 3.94Å; L861-L961 HydrophobicContact CB-CD1 3.98Å; L861-G963 PolarHBondContact N-O 2.9Å; L861-G963 VanDerWaalsContact N-O 3.11Å; L861-V964 HydrophobicContact CB-CG1 4.46Å; L861-V964 CarbonylContact O-C 3.54Å; L861-V964 VanDerWaalsContact O-CA 3.24Å; L861-V964 WeakPolarHBondContact O-CA 3.19Å; L861-A965 PolarHBondContact O-N 2.8Å
862A87.9Confident85.5Confident0 Ų020 Ų200%010%0.102CC..EExtended strand (participates in β ladder)trans-86.5128.9176.600000111.8T811 L812 L813 S814 F815 A965T811-A862 HydrophobicContact CG2-CB 3.7Å; L812-A862 PolarHBondContact O-N 3.49Å; L813-A862 HydrophobicContact CD2-CB 3.81Å; S814-A862 VanDerWaalsContact CB-O 3.32Å; S814-A862 WeakPolarHBondContact CB-O 3.35Å; S814-A862 PolarHBondContact N-O 3.14Å; S814-A862 PolarHBondContact OG-O 3.21Å; F815-A862 HydrophobicContact CE1-CB 4.35Å; F815-A862 HydrophobicContact CZ-CB 4.4Å; A862-A965 CarbonylContact C-O 3.58Å; A862-A965 WeakPolarHBondContact CA-O 3.39Å; A862-A965 HydrophobicContact CB-CB 3.97Å
863L85.6Confident84.8Confident2 Ų223 Ų231%0.0112%0.121CC..EExtended strand (participates in β ladder)trans-113.3138.3-177.6-57.7179.9000110.7L861 M943 K946 A947 A965 L966 H967L861-L863 HydrophobicContact CD2-CD2 4.05Å; L861-L863 HydrophobicContact CG-CD2 4Å; L863-M943 HydrophobicContact CB-CE 4.07Å; L863-M943 HydrophobicContact CB-SD 4.2Å; L863-M943 HydrophobicContact CD1-CE 4.23Å; L863-M943 HydrophobicContact CD1-SD 3.39Å; L863-M943 WeakPolarHBondContact CD1-SD 3.47Å; L863-M943 HydrophobicContact CG-SD 4.45Å; L863-K946 HydrophobicContact CD1-CB 3.46Å; L863-K946 VanDerWaalsContact CD1-CB 3.46Å; L863-K946 HydrophobicContact CD1-CD 4.47Å; L863-K946 HydrophobicContact CD2-CB 3.89Å; L863-K946 HydrophobicContact CD2-CD 3.92Å; L863-K946 HydrophobicContact CD2-CG 4.36Å; L863-K946 HydrophobicContact CG-CB 4.33Å; L863-A947 HydrophobicContact CD1-CB 3.56Å; L863-A965 PolarHBondContact N-O 3Å; L863-L966 HydrophobicContact CB-CD2 4.41Å; L863-H967 PolarHBondContact O-N 2.95Å
864P84.7Confident83.6Confident2 Ų228.8 Ų28.81%0.01314%0.14CC..EExtended strand (participates in β ladder)trans-77.4141-176.531.4-32.4000111.7F815 P833 F866 E938 H967F815-P864 HydrophobicContact CD1-CB 3.81Å; F815-P864 HydrophobicContact CD1-CG 4.11Å; F815-P864 HydrophobicContact CE1-CB 4.11Å; P833-P864 HydrophobicContact CB-CG 4.24Å; P864-F866 HydrophobicContact CB-CD1 3.94Å; P864-F866 HydrophobicContact CB-CE1 3.34Å; P864-F866 HydrophobicContact CB-CE2 4.01Å; P864-F866 HydrophobicContact CB-CG 4.45Å; P864-F866 HydrophobicContact CB-CZ 3.33Å; P864-E938 HydrophobicContact CG-CG 4.13Å; P864-E938 WeakPolarHBondContact O-CG 3.42Å; P864-H967 CarbonylContact C-O 3.53Å; P864-H967 WeakPolarHBondContact CA-O 3.4Å
865L87.2Confident82Confident0 Ų036.1 Ų36.10%018%0.179CC..SBendtrans-103.326.1171-64.3-178.3000112.3M903 M943 L966 H967 M968 M971 D972 M985L865-M903 PolarHBondContact O-N 3.48Å; L865-M943 HydrophobicContact CD2-CE 4.12Å; L865-L966 HydrophobicContact CD1-CB 3.77Å; L865-L966 HydrophobicContact CD2-CB 4.48Å; L865-L966 HydrophobicContact CD2-CD2 4.38Å; L865-L966 HydrophobicContact CG-CB 4.16Å; L865-H967 PolarHBondContact N-O 3.22Å; L865-M968 WeakPolarHBondContact CB-O 3.46Å; L865-M968 VanDerWaalsContact CD1-C 3.45Å; L865-M968 VanDerWaalsContact CD1-O 3.31Å; L865-M968 WeakPolarHBondContact CD1-O 3.37Å; L865-M971 HydrophobicContact CB-CB 4.14Å; L865-M971 CarbonylContact O-C 3.53Å; L865-M971 WeakPolarHBondContact O-CB 3.08Å; L865-M971 VanDerWaalsContact O-O 3.06Å; L865-D972 HydrophobicContact CD1-CB 4.06Å; L865-M985 HydrophobicContact CD2-CB 3.33Å; L865-M985 HydrophobicContact CD2-CG 3.61Å
866F84.5Confident80.5Confident6 Ų635 Ų353%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-137.1160177.757.8-87000109.5F815 I831 P833 P864 Y900 S901 H967 M971F815-F866 HydrophobicContact CG-CZ 4.46Å; I831-F866 HydrophobicContact CB-CE1 3.93Å; I831-F866 HydrophobicContact CB-CE2 3.8Å; I831-F866 HydrophobicContact CB-CZ 3.34Å; I831-F866 HydrophobicContact CD1-CE1 4.19Å; I831-F866 HydrophobicContact CD1-CZ 4.44Å; I831-F866 HydrophobicContact CG1-CZ 4.44Å; I831-F866 HydrophobicContact CG2-CE1 3.96Å; I831-F866 HydrophobicContact CG2-CE2 4.04Å; I831-F866 HydrophobicContact CG2-CZ 3.26Å; I831-F866 WeakPolarHBondContact O-CE2 3.27Å; P833-F866 HydrophobicContact CG-CD2 4.07Å; P833-F866 HydrophobicContact CG-CE2 3.48Å; P833-F866 VanDerWaalsContact CG-CE2 3.48Å; P833-F866 HydrophobicContact CG-CZ 4.26Å; P864-F866 HydrophobicContact CB-CD1 3.94Å; P864-F866 HydrophobicContact CB-CE1 3.34Å; P864-F866 HydrophobicContact CB-CE2 4.01Å; P864-F866 HydrophobicContact CB-CG 4.45Å; P864-F866 HydrophobicContact CB-CZ 3.33Å; F866-Y900 HydrophobicContact CD2-CD1 4.3Å; F866-Y900 HydrophobicContact CE2-CD1 4.47Å; F866-S901 CarbonylContact C-O 3.55Å; F866-S901 VanDerWaalsContact CA-O 3.27Å; F866-S901 WeakPolarHBondContact CA-O 3.48Å; F866-S901 WeakPolarHBondContact CB-O 3.18Å; F866-H967 WeakPolarHBondContact CE1-O 3.39Å; F866-M971 HydrophobicContact CB-SD 3.78Å; F866-M971 HydrophobicContact CD1-SD 3.79Å; F866-M971 HydrophobicContact CG-SD 4.12Å
867G83.3Confident79Confident0 Ų038 Ų380%019%0.19CC..EExtended strand (participates in β ladder)trans-122.8167.3178.200000111.7Y900 S901 M903 V936G867-Y900 VanDerWaalsContact O-CA 3.28Å; G867-Y900 WeakPolarHBondContact O-CA 3.39Å; G867-S901 PolarHBondContact N-O 2.93Å; G867-S901 PolarHBondContact O-N 3.46Å; G867-M903 VanDerWaalsContact N-CE 3.29Å; G867-V936 CarbonylContact C-O 3.43Å; G867-V936 WeakPolarHBondContact CA-O 3.23Å
868S82.2Confident77.5Confident0 Ų030.9 Ų30.90%017%0.165CC..EExtended strand (participates in β ladder)trans-104.9135.6177.3-61.50000110.2P833 Y870 Y900 Y935 V936P833-S868 WeakPolarHBondContact CD-OG 3.18Å; S868-Y870 VanDerWaalsContact CB-CE2 3.49Å; S868-Y900 WeakPolarHBondContact OG-CD1 3.18Å; S868-Y900 WeakPolarHBondContact OG-CE1 3.48Å; S868-Y935 WeakPolarHBondContact O-CA 3.33Å; S868-V936 PolarHBondContact N-O 3.25Å; S868-V936 PolarHBondContact O-N 3.45Å
869I86.1Confident75.7Confident7 Ų731.9 Ų31.94%0.03617%0.174CC..EExtended strand (participates in β ladder)trans-112.2123.5177.6-62.3174000108.9P897 I898 R899 I906 Y935I869-P897 CarbonylContact O-C 3.59Å; I869-P897 WeakPolarHBondContact O-CA 3.48Å; I869-I898 PolarHBondContact O-N 3.32Å; I869-R899 HydrophobicContact CB-CG 4.08Å; I869-R899 HydrophobicContact CD1-CG 4.12Å; I869-R899 PolarHBondContact N-O 2.93Å; I869-I906 HydrophobicContact CD1-CD1 4.18Å; I869-I906 HydrophobicContact CG1-CD1 3.91Å; I869-Y935 HydrophobicContact CB-CD1 4.3Å; I869-Y935 HydrophobicContact CB-CE1 4.33Å; I869-Y935 HydrophobicContact CD1-CE1 4.26Å; I869-Y935 HydrophobicContact CD1-CE2 4.22Å; I869-Y935 HydrophobicContact CG1-CD1 3.95Å; I869-Y935 HydrophobicContact CG1-CD2 4.39Å; I869-Y935 HydrophobicContact CG1-CE1 4.01Å; I869-Y935 HydrophobicContact CG1-CE2 4.4Å; I869-Y935 HydrophobicContact CG1-CG 4.16Å; I869-Y935 HydrophobicContact CG2-CD1 3.86Å; I869-Y935 HydrophobicContact CG2-CE1 3.55Å
870Y82.3Confident73.8Confident3 Ų334 Ų341%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-112.9147.3-179-63-94000111.1S834 S868 L892 P897 L934 V936S834-Y870 PolarHBondContact OG-OH 2.86Å; S834-Y870 VanDerWaalsContact OG-OH 3.12Å; S868-Y870 VanDerWaalsContact CB-CE2 3.49Å; Y870-L892 HydrophobicContact CD1-CD2 4.05Å; Y870-L892 HydrophobicContact CD2-CD2 4.05Å; Y870-L892 HydrophobicContact CE1-CD2 3.95Å; Y870-L892 HydrophobicContact CE2-CD1 4.19Å; Y870-L892 HydrophobicContact CE2-CD2 3.95Å; Y870-L892 HydrophobicContact CG-CD2 4.11Å; Y870-P897 HydrophobicContact CD1-CB 4.15Å; Y870-P897 HydrophobicContact CE1-CB 3.81Å; Y870-P897 HydrophobicContact CE1-CG 4.21Å; Y870-P897 HydrophobicContact CE2-CB 4.28Å; Y870-L934 PolarHBondContact N-O 3.12Å; Y870-L934 PolarHBondContact O-N 3.08Å; Y870-L934 VanDerWaalsContact O-N 3.07Å; Y870-V936 HydrophobicContact CD2-CG2 3.97Å; Y870-V936 HydrophobicContact CE2-CB 4.21Å; Y870-V936 HydrophobicContact CE2-CG2 3.7Å
871Q83.1Confident71.5Confident78 Ų7836.1 Ų36.136%0.36420%0.201SC..EExtended strand (participates in β ladder)trans-115.6114.9165.6-178.279.532.900108.6I898 R932Q871-I898 HydrophobicContact CB-CD1 3.21Å; Q871-I898 HydrophobicContact CB-CG1 4.03Å; Q871-I898 HydrophobicContact CG-CD1 4.35Å; Q871-R932 CarbonylContact C-O 3.5Å; Q871-R932 WeakPolarHBondContact CA-O 3.3Å
872L76Confident69.3Low4 Ų445.7 Ų45.72%0.02124%0.243CC..  trans-79.5144.4-178.4-57.8173.4000110.3F878 Y895 R932 L934L872-F878 HydrophobicContact CD1-CB 3.69Å; L872-F878 HydrophobicContact CD1-CD1 4.33Å; L872-F878 HydrophobicContact CD1-CD2 3.61Å; L872-F878 HydrophobicContact CD1-CE2 4.39Å; L872-F878 HydrophobicContact CD1-CG 3.62Å; L872-F878 HydrophobicContact CD2-CD2 4.23Å; L872-Y895 HydrophobicContact CD2-CD1 4.47Å; L872-Y895 HydrophobicContact CD2-CD2 4.12Å; L872-Y895 HydrophobicContact CD2-CE1 4.45Å; L872-Y895 HydrophobicContact CD2-CE2 4.06Å; L872-Y895 HydrophobicContact CD2-CG 4.32Å; L872-R932 PolarHBondContact N-O 3.17Å; L872-R932 PolarHBondContact O-NE 3.33Å; L872-R932 PolarHBondContact O-NH2 3.27Å; L872-L934 HydrophobicContact CD1-CB 4.21Å; L872-L934 HydrophobicContact CD2-CD2 4.38Å; L872-L934 HydrophobicContact CG-CB 4.42Å
873P70.8Confident66.9Low62 Ų6247.5 Ų47.540%0.40326%0.261SS..  trans-56.3158.8168.4-26.134.2000113.1D875 S876 Y895P873-D875 VanDerWaalsContact C-N 3.25Å; P873-D875 PolarHBondContact O-N 3.24Å; P873-S876 WeakPolarHBondContact O-CB 3.14Å; P873-S876 PolarHBondContact O-N 2.97Å; P873-S876 VanDerWaalsContact O-N 3.12Å; P873-Y895 HydrophobicContact CG-CD1 4.42Å; P873-Y895 HydrophobicContact CG-CE1 3.71Å
874E61.6Low64.7Low153 Ų15352.6 Ų52.672%0.71528%0.283SS*.THydrogen-bonded Turntrans-60.8-35.6-179.3-69.9-175.3172.300112.7R932E874-R932 IonicContact OE1-CZ 3.83Å; E874-R932 IonicContact OE1-NH1 3.56Å; E874-R932 PolarHBondContact OE1-NH1 3.37Å
875D56.6Low62.6Low155 Ų15556.6 Ų56.683%0.82930%0.302SS*.THydrogen-bonded Turntrans-96.312.8179.2-51.9-44.8000112.9P873 P877P873-D875 VanDerWaalsContact C-N 3.25Å; P873-D875 PolarHBondContact O-N 3.24Å; D875-P877 WeakPolarHBondContact O-CD 3.43Å; D875-P877 VanDerWaalsContact O-N 3.1Å
876S55.3Low60.8Low22 Ų2258.3 Ų58.315%0.15431%0.309CS..  trans-61116.4178.5174.60000109P873 F878 Y895P873-S876 WeakPolarHBondContact O-CB 3.14Å; P873-S876 PolarHBondContact O-N 2.97Å; P873-S876 VanDerWaalsContact O-N 3.12Å; S876-F878 PolarHBondContact O-N 3.36Å; S876-Y895 PolarHBondContact OG-OH 2.72Å
877P51.3Low59.3Low85 Ų8562.8 Ų62.855%0.55233%0.326SS*.  trans-75.673.8172.433.2-31.5000106.2D875 P879 H891D875-P877 WeakPolarHBondContact O-CD 3.43Å; D875-P877 VanDerWaalsContact O-N 3.1Å; P877-P879 WeakPolarHBondContact O-CD 3.26Å; P877-H891 PolarHBondContact O-CE1 3.2Å
878F55.1Low58.2Low28 Ų2862.9 Ų62.912%0.12333%0.326CS..  trans-92.574.3167.4-157.6-86.2000106.8L872 S876 V880 F886 L888 H891 Y929 L934L872-F878 HydrophobicContact CD1-CB 3.69Å; L872-F878 HydrophobicContact CD1-CD1 4.33Å; L872-F878 HydrophobicContact CD1-CD2 3.61Å; L872-F878 HydrophobicContact CD1-CE2 4.39Å; L872-F878 HydrophobicContact CD1-CG 3.62Å; L872-F878 HydrophobicContact CD2-CD2 4.23Å; S876-F878 PolarHBondContact O-N 3.36Å; F878-V880 HydrophobicContact CD1-CG2 3.64Å; F878-V880 HydrophobicContact CE1-CG2 3.38Å; F878-V880 PolarHBondContact O-N 3.37Å; F878-F886 HydrophobicContact CD2-CZ 4.44Å; F878-F886 HydrophobicContact CE1-CE2 4.42Å; F878-F886 AromaticContact CE1-CZ 3.95Å; F878-F886 HydrophobicContact CE1-CZ 3.95Å; F878-F886 HydrophobicContact CE2-CE2 4.11Å; F878-F886 AromaticContact CE2-CZ 3.55Å; F878-F886 HydrophobicContact CE2-CZ 3.55Å; F878-F886 AromaticContact CZ-CE1 3.97Å; F878-F886 HydrophobicContact CZ-CE1 3.97Å; F878-F886 HydrophobicContact CZ-CE2 4.02Å; F878-F886 AromaticContact CZ-CZ 3.25Å; F878-F886 HydrophobicContact CZ-CZ 3.25Å; F878-L888 HydrophobicContact CE2-CD1 4.25Å; F878-L888 HydrophobicContact CZ-CD1 4.07Å; F878-H891 AromaticContact CD2-CD2 3.23Å; F878-H891 WeakPolarHBondContact CD2-CD2 3.21Å; F878-H891 AromaticContact CD2-NE2 3.31Å; F878-H891 VanDerWaalsContact CD2-NE2 3.31Å; F878-H891 WeakPolarHBondContact CD2-NE2 3.2Å; F878-H891 AromaticContact CE2-CD2 3.51Å; F878-Y929 HydrophobicContact CE1-CG 4.41Å; F878-L934 HydrophobicContact CD2-CD2 4.2Å; F878-L934 HydrophobicContact CE1-CD1 4.01Å; F878-L934 HydrophobicContact CE2-CD1 4.24Å; F878-L934 HydrophobicContact CE2-CD2 3.33Å; F878-L934 HydrophobicContact CE2-CG 4.34Å; F878-L934 HydrophobicContact CZ-CD1 3.52Å; F878-L934 HydrophobicContact CZ-CD2 3.53Å; F878-L934 HydrophobicContact CZ-CG 4.11Å
879P50.8Low56.8Low60 Ų6063.3 Ų63.339%0.3933%0.33SS..  trans-69.1126.7165.336.7-33.6000103.5P877 P881P877-P879 WeakPolarHBondContact O-CD 3.26Å; P879-P881 VanDerWaalsContact C-N 3.33Å; P879-P881 HydrophobicContact CB-CB 4.42Å; P879-P881 HydrophobicContact CB-CG 3.85Å; P879-P881 HydrophobicContact CG-CG 4.05Å; P879-P881 WeakPolarHBondContact O-CD 3.29Å
880V49.9Very low55.3Low45 Ų4568.4 Ų68.427%0.27335%0.354SS..  trans-92.786.6148179.70000102.8F878 K882 F927 Y929F878-V880 HydrophobicContact CD1-CG2 3.64Å; F878-V880 HydrophobicContact CE1-CG2 3.38Å; F878-V880 PolarHBondContact O-N 3.37Å; V880-K882 PolarHBondContact O-N 3.06Å; V880-F927 HydrophobicContact CG1-CE2 4.34Å; V880-F927 HydrophobicContact CG1-CZ 4.5Å; V880-F927 HydrophobicContact CG2-CE2 4.26Å; V880-Y929 HydrophobicContact CB-CE1 3.8Å; V880-Y929 HydrophobicContact CB-CE2 4.07Å; V880-Y929 VanDerWaalsContact CB-CZ 3.48Å; V880-Y929 WeakPolarHBondContact CB-OH 3.47Å; V880-Y929 HydrophobicContact CG1-CE1 3.83Å; V880-Y929 HydrophobicContact CG2-CD1 3.76Å; V880-Y929 HydrophobicContact CG2-CD2 3.98Å; V880-Y929 HydrophobicContact CG2-CE1 3.41Å; V880-Y929 VanDerWaalsContact CG2-CE1 3.41Å; V880-Y929 HydrophobicContact CG2-CE2 3.62Å; V880-Y929 HydrophobicContact CG2-CG 4.05Å
881P41.6Very low54.3Low45 Ų4569.8 Ų69.829%0.29236%0.36SS..  trans-75.3130.6-177.8109.2000106.6P879 G883 K884P879-P881 VanDerWaalsContact C-N 3.33Å; P879-P881 HydrophobicContact CB-CB 4.42Å; P879-P881 HydrophobicContact CB-CG 3.85Å; P879-P881 HydrophobicContact CG-CG 4.05Å; P879-P881 WeakPolarHBondContact O-CD 3.29Å; P881-G883 PolarHBondContact O-N 2.92Å; P881-K884 HydrophobicContact CB-CB 4.18Å; P881-K884 HydrophobicContact CG-CB 4.11Å
882K39.1Very low53.2Low203 Ų20366.5 Ų66.588%0.88335%0.345SS*.THydrogen-bonded Turntrans-55.6111.2163.4-71.9-175172.7-169.40107.3V880V880-K882 PolarHBondContact O-N 3.06Å
883G37.7Very low52.4Low38 Ų3872.8 Ų72.839%0.39237%0.372SS..THydrogen-bonded Turntrans80.126.7166.600000118.7P881P881-G883 PolarHBondContact O-N 2.92Å
884K39.6Very low51.8Low109 Ų10976.1 Ų76.147%0.47438%0.378SS..SBendtrans-122.4144.6166-70-173.8175.1-1780110.5D275 P881 F886D275-K884 HydrophobicContact CB-CD 4.25Å; D275-K884 VanDerWaalsContact CB-NZ 3.27Å; D275-K884 IonicContact OD2-NZ 2.66Å; D275-K884 PolarHBondContact OD2-NZ 2.77Å; P881-K884 HydrophobicContact CB-CB 4.18Å; P881-K884 HydrophobicContact CG-CB 4.11Å; K884-F886 PolarHBondContact O-N 2.98Å
885E41.5Very low51.9Low86 Ų8671 Ų7140%0.40235%0.352SS..  trans-49103.7177.9-71.7-170.7165.500110.8T565T565-E885 WeakPolarHBondContact CG2-OE1 3.43Å
886F48.5Very low52.5Low35 Ų3571 Ų7115%0.15435%0.347CS..  trans-102.699.3176.3176.7-102000108.5F878 K884 L888 H891 C920 F927F878-F886 HydrophobicContact CD2-CZ 4.44Å; F878-F886 HydrophobicContact CE1-CE2 4.42Å; F878-F886 AromaticContact CE1-CZ 3.95Å; F878-F886 HydrophobicContact CE1-CZ 3.95Å; F878-F886 HydrophobicContact CE2-CE2 4.11Å; F878-F886 AromaticContact CE2-CZ 3.55Å; F878-F886 HydrophobicContact CE2-CZ 3.55Å; F878-F886 AromaticContact CZ-CE1 3.97Å; F878-F886 HydrophobicContact CZ-CE1 3.97Å; F878-F886 HydrophobicContact CZ-CE2 4.02Å; F878-F886 AromaticContact CZ-CZ 3.25Å; F878-F886 HydrophobicContact CZ-CZ 3.25Å; K884-F886 PolarHBondContact O-N 2.98Å; F886-L888 HydrophobicContact CD1-CB 4.24Å; F886-L888 HydrophobicContact CE1-CB 3.6Å; F886-L888 HydrophobicContact CE1-CD1 3.58Å; F886-L888 HydrophobicContact CE1-CG 4.15Å; F886-L888 HydrophobicContact CZ-CB 4.21Å; F886-L888 HydrophobicContact CZ-CD1 3.7Å; F886-L888 PolarHBondContact O-N 3.39Å; F886-H891 HydrophobicContact CE2-CB 4.4Å; F886-H891 HydrophobicContact CZ-CB 4.5Å; F886-C920 PolarHBondContact O-SG 3.39Å; F886-C920 VanDerWaalsContact O-SG 3.39Å; F886-F927 HydrophobicContact CD1-CE1 4.46Å; F886-F927 HydrophobicContact CD1-CZ 4.37Å; F886-F927 HydrophobicContact CE1-CZ 4.46Å
887R53.9Low53.3Low101 Ų10171 Ų7138%0.38135%0.347SS..  trans-86.494.2173-67.9-174.7-178.11766.7109.5A889 Q890 H891R887-A889 PolarHBondContact O-N 3.37Å; R887-Q890 HydrophobicContact CB-CB 4.22Å; R887-Q890 HydrophobicContact CB-CG 4.04Å; R887-Q890 PolarHBondContact O-N 3.08Å; R887-Q890 VanDerWaalsContact O-N 3.12Å; R887-H891 PolarHBondContact O-N 3.39Å
888L59.1Low54.7Low1 Ų172.1 Ų72.11%0.00535%0.347CS..Hα-helixtrans-54.7-38.1-178.2178.767.7000112.1F878 F886 H891 L892 I925 F927 L934 V936F878-L888 HydrophobicContact CE2-CD1 4.25Å; F878-L888 HydrophobicContact CZ-CD1 4.07Å; F886-L888 HydrophobicContact CD1-CB 4.24Å; F886-L888 HydrophobicContact CE1-CB 3.6Å; F886-L888 HydrophobicContact CE1-CD1 3.58Å; F886-L888 HydrophobicContact CE1-CG 4.15Å; F886-L888 HydrophobicContact CZ-CB 4.21Å; F886-L888 HydrophobicContact CZ-CD1 3.7Å; F886-L888 PolarHBondContact O-N 3.39Å; L888-H891 PolarHBondContact O-N 3.36Å; L888-L892 HydrophobicContact CD1-CD1 3.75Å; L888-L892 HydrophobicContact CD1-CD2 4.35Å; L888-L892 HydrophobicContact CD1-CG 3.81Å; L888-L892 HydrophobicContact CD2-CD1 4.13Å; L888-L892 HydrophobicContact CG-CD1 3.59Å; L888-L892 HydrophobicContact CG-CG 4.04Å; L888-L892 WeakPolarHBondContact O-CB 2.77Å; L888-L892 VanDerWaalsContact O-CG 3.28Å; L888-L892 WeakPolarHBondContact O-CG 3.3Å; L888-L892 PolarHBondContact O-N 2.87Å; L888-I925 HydrophobicContact CD2-CG2 3.9Å; L888-F927 HydrophobicContact CD2-CB 4.09Å; L888-F927 HydrophobicContact CD2-CD1 4.37Å; L888-F927 HydrophobicContact CD2-CG 4.48Å; L888-L934 HydrophobicContact CD1-CD2 4.15Å; L888-V936 HydrophobicContact CD2-CG1 3.95Å; L888-V936 HydrophobicContact CD2-CG2 4.1Å
889A53.2Low55.9Low10 Ų1076 Ų768%0.08336%0.361CS..Hα-helixtrans-52.6-55.8172.100000113.8D838 R887 H891 L892 K893D838-A889 VanDerWaalsContact OD1-CA 3.22Å; D838-A889 WeakPolarHBondContact OD1-CA 3.3Å; D838-A889 WeakPolarHBondContact OD1-CB 3.12Å; R887-A889 PolarHBondContact O-N 3.37Å; A889-H891 PolarHBondContact O-N 2.87Å; A889-H891 VanDerWaalsContact O-N 3.11Å; A889-L892 PolarHBondContact O-N 3.03Å; A889-K893 PolarHBondContact O-N 3.14Å
890Q55Low57.3Low113 Ų11375.9 Ų75.953%0.52835%0.353SS..Hα-helixtrans-59.7-31.5-175-70-179.5-22.500111.2R887 Y894R887-Q890 HydrophobicContact CB-CB 4.22Å; R887-Q890 HydrophobicContact CB-CG 4.04Å; R887-Q890 PolarHBondContact O-N 3.08Å; R887-Q890 VanDerWaalsContact O-N 3.12Å; Q890-Y894 WeakPolarHBondContact O-CE2 2.94Å
891H59.8Low58.9Low32 Ų3273.9 Ų73.915%0.14834%0.341CS..Hα-helixtrans-77.5-44.6175-159.478.9000112.6P877 F878 F886 R887 L888 A889 K893 Y895P877-H891 PolarHBondContact O-CE1 3.2Å; F878-H891 AromaticContact CD2-CD2 3.23Å; F878-H891 WeakPolarHBondContact CD2-CD2 3.21Å; F878-H891 AromaticContact CD2-NE2 3.31Å; F878-H891 VanDerWaalsContact CD2-NE2 3.31Å; F878-H891 WeakPolarHBondContact CD2-NE2 3.2Å; F878-H891 AromaticContact CE2-CD2 3.51Å; F886-H891 HydrophobicContact CE2-CB 4.4Å; F886-H891 HydrophobicContact CZ-CB 4.5Å; R887-H891 PolarHBondContact O-N 3.39Å; L888-H891 PolarHBondContact O-N 3.36Å; A889-H891 PolarHBondContact O-N 2.87Å; A889-H891 VanDerWaalsContact O-N 3.11Å; H891-K893 VanDerWaalsContact C-N 3.31Å; H891-K893 PolarHBondContact O-N 3.26Å; H891-Y895 AromaticContact CD2-CE2 3.49Å; H891-Y895 VanDerWaalsContact CD2-CE2 3.49Å; H891-Y895 WeakPolarHBondContact CD2-CE2 3.43Å; H891-Y895 AromaticContact NE2-CE2 3.37Å; H891-Y895 WeakPolarHBondContact NE2-CE2 3.47Å; H891-Y895 AromaticContact NE2-CZ 3.88Å; H891-Y895 WeakPolarHBondContact O-CD2 3.28Å; H891-Y895 WeakPolarHBondContact O-CE2 3.14Å
892L61.1Low61.1Low9 Ų972.6 Ų72.65%0.04734%0.336CS..Hα-helixtrans-70.7-22.3-178-72.7-179.5000114.4Y870 L888 A889 Y894 Y895 L934 V936Y870-L892 HydrophobicContact CD1-CD2 4.05Å; Y870-L892 HydrophobicContact CD2-CD2 4.05Å; Y870-L892 HydrophobicContact CE1-CD2 3.95Å; Y870-L892 HydrophobicContact CE2-CD1 4.19Å; Y870-L892 HydrophobicContact CE2-CD2 3.95Å; Y870-L892 HydrophobicContact CG-CD2 4.11Å; L888-L892 HydrophobicContact CD1-CD1 3.75Å; L888-L892 HydrophobicContact CD1-CD2 4.35Å; L888-L892 HydrophobicContact CD1-CG 3.81Å; L888-L892 HydrophobicContact CD2-CD1 4.13Å; L888-L892 HydrophobicContact CG-CD1 3.59Å; L888-L892 HydrophobicContact CG-CG 4.04Å; L888-L892 WeakPolarHBondContact O-CB 2.77Å; L888-L892 VanDerWaalsContact O-CG 3.28Å; L888-L892 WeakPolarHBondContact O-CG 3.3Å; L888-L892 PolarHBondContact O-N 2.87Å; A889-L892 PolarHBondContact O-N 3.03Å; L892-Y894 PolarHBondContact O-N 2.97Å; L892-Y895 PolarHBondContact O-N 2.86Å; L892-Y895 VanDerWaalsContact O-O 3.13Å; L892-L934 HydrophobicContact CD2-CD2 3.61Å; L892-V936 HydrophobicContact CD1-CG2 3.79Å
893K57.8Low63.4Low137 Ų13763 Ų6360%0.59629%0.294SS*.THydrogen-bonded Turntrans-51.1-21.6177-175.1173.8179.9176.10114.2A889 H891A889-K893 PolarHBondContact O-N 3.14Å; H891-K893 VanDerWaalsContact C-N 3.31Å; H891-K893 PolarHBondContact O-N 3.26Å
894Y60Low65.7Low132 Ų13264 Ų6452%0.51829%0.287SS..THydrogen-bonded Turntrans-98.2-4.1-179.5-56.4-72.2000114.7Q890 L892Q890-Y894 WeakPolarHBondContact O-CE2 2.94Å; L892-Y894 PolarHBondContact O-N 2.97Å
895Y63.9Low68Low45 Ų4562.6 Ų62.618%0.17628%0.282CS..  trans-122.9142.4-173.6-54.9-68.2000111.5L872 P873 S876 H891 L892L872-Y895 HydrophobicContact CD2-CD1 4.47Å; L872-Y895 HydrophobicContact CD2-CD2 4.12Å; L872-Y895 HydrophobicContact CD2-CE1 4.45Å; L872-Y895 HydrophobicContact CD2-CE2 4.06Å; L872-Y895 HydrophobicContact CD2-CG 4.32Å; P873-Y895 HydrophobicContact CG-CD1 4.42Å; P873-Y895 HydrophobicContact CG-CE1 3.71Å; S876-Y895 PolarHBondContact OG-OH 2.72Å; H891-Y895 AromaticContact CD2-CE2 3.49Å; H891-Y895 VanDerWaalsContact CD2-CE2 3.49Å; H891-Y895 WeakPolarHBondContact CD2-CE2 3.43Å; H891-Y895 AromaticContact NE2-CE2 3.37Å; H891-Y895 WeakPolarHBondContact NE2-CE2 3.47Å; H891-Y895 AromaticContact NE2-CZ 3.88Å; H891-Y895 WeakPolarHBondContact O-CD2 3.28Å; H891-Y895 WeakPolarHBondContact O-CE2 3.14Å; L892-Y895 PolarHBondContact O-N 2.86Å; L892-Y895 VanDerWaalsContact O-O 3.13Å
896E68.5Low70.2Confident154 Ų15458.5 Ų58.572%0.7226%0.262SS*.  trans-99.7139.8168.1-66.3-167.115400109.9
897P71.1Confident72.2Confident23 Ų2357.6 Ų57.615%0.14926%0.26CS..  trans-68.7137.5175.327.3-31.9000110.2I869 Y870 R899 Y900I869-P897 CarbonylContact O-C 3.59Å; I869-P897 WeakPolarHBondContact O-CA 3.48Å; Y870-P897 HydrophobicContact CD1-CB 4.15Å; Y870-P897 HydrophobicContact CE1-CB 3.81Å; Y870-P897 HydrophobicContact CE1-CG 4.21Å; Y870-P897 HydrophobicContact CE2-CB 4.28Å; P897-R899 VanDerWaalsContact C-N 3.3Å; P897-Y900 HydrophobicContact CG-CE1 3.98Å; P897-Y900 HydrophobicContact CG-CE2 4.18Å; P897-Y900 WeakPolarHBondContact CG-OH 3.49Å
898I81.2Confident73.9Confident108 Ų10859.3 Ų59.355%0.55427%0.267SS*.SBendtrans-65-41.3175.1-59.2165.3000110.2I869 Q871I869-I898 PolarHBondContact O-N 3.32Å; Q871-I898 HydrophobicContact CB-CD1 3.21Å; Q871-I898 HydrophobicContact CB-CG1 4.03Å; Q871-I898 HydrophobicContact CG-CD1 4.35Å
899R81.1Confident75.4Confident110 Ų11059.8 Ų59.842%0.41527%0.271SS..EExtended strand (participates in β ladder)trans-159.6164.1-176.666.1-177.3-174.1143.912.1111.9I869 P897 E905I869-R899 HydrophobicContact CB-CG 4.08Å; I869-R899 HydrophobicContact CD1-CG 4.12Å; I869-R899 PolarHBondContact N-O 2.93Å; P897-R899 VanDerWaalsContact C-N 3.3Å; R899-E905 IonicContact CZ-OE1 3.08Å; R899-E905 IonicContact NH1-OE1 2.86Å; R899-E905 PolarHBondContact NH1-OE1 3.04Å; R899-E905 IonicContact NH2-OE1 2.81Å; R899-E905 PolarHBondContact NH2-OE1 3.31Å
900Y79Confident77.1Confident57 Ų5759.6 Ų59.622%0.22427%0.269CS..EExtended strand (participates in β ladder)trans-111.7143171.4-56.4-89000109.6N830 I831 H832 F866 G867 S868 P897N830-Y900 HydrophobicContact CB-CD2 4.11Å; N830-Y900 HydrophobicContact CB-CE2 4.21Å; I831-Y900 WeakPolarHBondContact O-CD1 3.5Å; I831-Y900 WeakPolarHBondContact O-CE1 3.39Å; H832-Y900 PolarHBondContact CD2-OH 2.82Å; F866-Y900 HydrophobicContact CD2-CD1 4.3Å; F866-Y900 HydrophobicContact CE2-CD1 4.47Å; G867-Y900 VanDerWaalsContact O-CA 3.28Å; G867-Y900 WeakPolarHBondContact O-CA 3.39Å; S868-Y900 WeakPolarHBondContact OG-CD1 3.18Å; S868-Y900 WeakPolarHBondContact OG-CE1 3.48Å; P897-Y900 HydrophobicContact CG-CE1 3.98Å; P897-Y900 HydrophobicContact CG-CE2 4.18Å; P897-Y900 WeakPolarHBondContact CG-OH 3.49Å
901S84.3Confident78.6Confident4 Ų458.6 Ų58.63%0.02827%0.27CS..EExtended strand (participates in β ladder)trans-141.3140.2-173.8-75.80000110.5F866 G867 E905F866-S901 CarbonylContact C-O 3.55Å; F866-S901 VanDerWaalsContact CA-O 3.27Å; F866-S901 WeakPolarHBondContact CA-O 3.48Å; F866-S901 WeakPolarHBondContact CB-O 3.18Å; G867-S901 PolarHBondContact N-O 2.93Å; G867-S901 PolarHBondContact O-N 3.46Å; S901-E905 WeakPolarHBondContact CB-OE2 3.37Å; S901-E905 PolarHBondContact OG-OE2 3.38Å
902G86.7Confident80Confident18 Ų1865.5 Ų65.519%0.18630%0.3CS..EExtended strand (participates in β ladder)trans-63.5162.9171.500000112.4R904 E905 I906 M971G902-R904 VanDerWaalsContact C-N 3.28Å; G902-R904 PolarHBondContact O-N 3.47Å; G902-E905 PolarHBondContact O-N 3.04Å; G902-I906 WeakPolarHBondContact O-CG1 3.12Å; G902-I906 PolarHBondContact O-N 3.47Å; G902-M971 CarbonylContact C-O 2.86Å
903M88.1Confident81.3Confident1 Ų167.8 Ų67.81%0.00531%0.312CS..Hα-helixtrans-57.7-37.8-174.9-72.8-54.5100.500113.5L865 G867 E905 I906 C907 H937 E938 M971 D973 M985L865-M903 PolarHBondContact O-N 3.48Å; G867-M903 VanDerWaalsContact N-CE 3.29Å; M903-E905 VanDerWaalsContact C-N 3.31Å; M903-E905 PolarHBondContact O-N 3.05Å; M903-I906 HydrophobicContact CE-CB 4.43Å; M903-I906 HydrophobicContact CE-CG1 4.04Å; M903-I906 PolarHBondContact O-N 3.18Å; M903-C907 WeakPolarHBondContact O-CB 3.36Å; M903-C907 PolarHBondContact O-N 2.84Å; M903-C907 PolarHBondContact O-SG 2.91Å; M903-H937 HydrophobicContact CE-CB 3.94Å; M903-H937 HydrophobicContact SD-CB 4.27Å; M903-E938 VanDerWaalsContact SD-O 3.39Å; M903-M971 PolarHBondContact N-O 3.02Å; M903-D973 HydrophobicContact CB-CB 4.48Å; M903-M985 HydrophobicContact CG-CG 4.07Å
904R85.8Confident82.6Confident60 Ų6072 Ų7223%0.22633%0.325CS..Hα-helixtrans-54.9-45.5174.4177.1-176.9-87.6167-19.1112.4G902 R908 D973 D974 G975G902-R904 VanDerWaalsContact C-N 3.28Å; G902-R904 PolarHBondContact O-N 3.47Å; R904-R908 WeakPolarHBondContact O-CB 3.43Å; R904-R908 VanDerWaalsContact O-CG 3.25Å; R904-R908 WeakPolarHBondContact O-CG 2.68Å; R904-R908 PolarHBondContact O-N 2.58Å; R904-D973 HydrophobicContact CB-CB 4.45Å; R904-D973 IonicContact NE-OD1 3.37Å; R904-D974 IonicContact CZ-OD1 3.57Å; R904-D974 IonicContact CZ-OD2 2.76Å; R904-D974 VanDerWaalsContact CZ-OD2 3.24Å; R904-D974 IonicContact NE-OD1 2.95Å; R904-D974 PolarHBondContact NE-OD1 3.33Å; R904-D974 IonicContact NH1-OD1 3.64Å; R904-D974 PolarHBondContact NH1-OD1 3.19Å; R904-D974 IonicContact NH1-OD2 2.8Å; R904-D974 PolarHBondContact NH1-OD2 3.3Å; R904-D974 VanDerWaalsContact NH1-OD2 3.12Å; R904-D974 VanDerWaalsContact NH2-C 3.3Å; R904-D974 IonicContact NH2-OD1 3.75Å; R904-D974 PolarHBondContact NH2-OD1 3.37Å; R904-D974 IonicContact NH2-OD2 2.73Å; R904-D974 PolarHBondContact NH2-OD2 3.33Å; R904-G975 VanDerWaalsContact NH2-CA 3.27Å
905E87.9Confident83.7Confident79 Ų7966.3 Ų66.337%0.36930%0.303SS..Hα-helixtrans-74.3-41-179.2-177.6179.5-166.700111.6R899 S901 G902 M903 R908 G909R899-E905 IonicContact CZ-OE1 3.08Å; R899-E905 IonicContact NH1-OE1 2.86Å; R899-E905 PolarHBondContact NH1-OE1 3.04Å; R899-E905 IonicContact NH2-OE1 2.81Å; R899-E905 PolarHBondContact NH2-OE1 3.31Å; S901-E905 WeakPolarHBondContact CB-OE2 3.37Å; S901-E905 PolarHBondContact OG-OE2 3.38Å; G902-E905 PolarHBondContact O-N 3.04Å; M903-E905 VanDerWaalsContact C-N 3.31Å; M903-E905 PolarHBondContact O-N 3.05Å; E905-R908 PolarHBondContact O-N 3.23Å; E905-G909 PolarHBondContact O-N 3.23Å
906I89.2Confident84.2Confident0 Ų072.3 Ų72.30%033%0.325CS..Hα-helixtrans-55.4-53.6174.1-68.7-75.7000109.9I869 G902 M903 R908 G909 I910 Y935 H937I869-I906 HydrophobicContact CD1-CD1 4.18Å; I869-I906 HydrophobicContact CG1-CD1 3.91Å; G902-I906 WeakPolarHBondContact O-CG1 3.12Å; G902-I906 PolarHBondContact O-N 3.47Å; M903-I906 HydrophobicContact CE-CB 4.43Å; M903-I906 HydrophobicContact CE-CG1 4.04Å; M903-I906 PolarHBondContact O-N 3.18Å; I906-R908 PolarHBondContact O-N 2.91Å; I906-G909 PolarHBondContact O-N 2.75Å; I906-G909 VanDerWaalsContact O-N 3.15Å; I906-I910 HydrophobicContact CG2-CD1 3.7Å; I906-I910 HydrophobicContact CG2-CG1 4.49Å; I906-I910 VanDerWaalsContact O-CG1 3.28Å; I906-I910 WeakPolarHBondContact O-CG1 3.36Å; I906-I910 PolarHBondContact O-N 2.93Å; I906-Y935 HydrophobicContact CD1-CD2 4.01Å; I906-Y935 HydrophobicContact CD1-CG 4.46Å; I906-Y935 HydrophobicContact CG2-CD2 4.33Å; I906-H937 HydrophobicContact CG2-CB 3.95Å
907C89.6Confident84.5Confident15 Ų1571.8 Ų71.810%0.10132%0.32CS..Hα-helixtrans-63.4-40.9-179.5-68.30000112.4M903 G909 I910 V911 V977 C978M903-C907 WeakPolarHBondContact O-CB 3.36Å; M903-C907 PolarHBondContact O-N 2.84Å; M903-C907 PolarHBondContact O-SG 2.91Å; C907-G909 VanDerWaalsContact C-N 3.33Å; C907-G909 PolarHBondContact O-N 3.41Å; C907-I910 PolarHBondContact O-N 3.32Å; C907-V911 WeakPolarHBondContact O-CG2 3.49Å; C907-V911 PolarHBondContact O-N 2.78Å; C907-V977 HydrophobicContact CB-CB 4.23Å; C907-V977 HydrophobicContact CB-CG1 3.88Å; C907-C978 HydrophobicContact CB-CB 3.95Å; C907-C978 WeakPolarHBondContact CB-SG 3.49Å; C907-C978 WeakPolarHBondContact SG-CB 3.17Å; C907-C978 CovalentContact SG-SG 2.02Å; C907-C978 PolarHBondContact SG-SG 3.26Å
908R89.9Confident84.4Confident138 Ų13871.7 Ų71.752%0.52132%0.324SS..Hα-helixtrans-59.1-44.5173-78.4-180-174.11661.3111.6R904 E905 I906 K912 V977R904-R908 WeakPolarHBondContact O-CB 3.43Å; R904-R908 VanDerWaalsContact O-CG 3.25Å; R904-R908 WeakPolarHBondContact O-CG 2.68Å; R904-R908 PolarHBondContact O-N 2.58Å; E905-R908 PolarHBondContact O-N 3.23Å; I906-R908 PolarHBondContact O-N 2.91Å; R908-K912 WeakPolarHBondContact O-CB 3.36Å; R908-K912 PolarHBondContact O-N 2.7Å; R908-V977 HydrophobicContact CB-CG1 4.45Å; R908-V977 HydrophobicContact CG-CB 4.42Å; R908-V977 HydrophobicContact CG-CG1 3.73Å; R908-V977 HydrophobicContact CG-CG2 3.99Å
909G90.2Very high83.7Confident10 Ų1068.4 Ų68.410%0.10331%0.307CS..Hα-helixtrans-63.6-43.7178.500000112.5E905 I906 C907 N913E905-G909 PolarHBondContact O-N 3.23Å; I906-G909 PolarHBondContact O-N 2.75Å; I906-G909 VanDerWaalsContact O-N 3.15Å; C907-G909 VanDerWaalsContact C-N 3.33Å; C907-G909 PolarHBondContact O-N 3.41Å; G909-N913 VanDerWaalsContact O-CB 3.28Å; G909-N913 WeakPolarHBondContact O-CB 3.5Å; G909-N913 PolarHBondContact O-N 3.07Å; G909-N913 PolarHBondContact O-ND2 2.7Å
910I88.7Confident82.8Confident6 Ų663.5 Ų63.53%0.03129%0.29CS..Hα-helixtrans-60-49177.3-69.6170000111.4I906 C907 R914 M915 K917 A928 Y935 H937I906-I910 HydrophobicContact CG2-CD1 3.7Å; I906-I910 HydrophobicContact CG2-CG1 4.49Å; I906-I910 VanDerWaalsContact O-CG1 3.28Å; I906-I910 WeakPolarHBondContact O-CG1 3.36Å; I906-I910 PolarHBondContact O-N 2.93Å; C907-I910 PolarHBondContact O-N 3.32Å; I910-R914 PolarHBondContact O-N 3.36Å; I910-R914 VanDerWaalsContact O-N 3.12Å; I910-M915 HydrophobicContact CG1-SD 4.16Å; I910-M915 HydrophobicContact CG2-CB 4.38Å; I910-M915 PolarHBondContact O-N 2.88Å; I910-K917 HydrophobicContact CG2-CD 4.05Å; I910-K917 HydrophobicContact CG2-CG 4.18Å; I910-A928 HydrophobicContact CD1-CB 3.7Å; I910-A928 HydrophobicContact CG1-CB 3.64Å; I910-A928 HydrophobicContact CG2-CB 4.44Å; I910-Y935 HydrophobicContact CG1-CD2 4Å; I910-H937 WeakPolarHBondContact CD1-NE2 3.26Å
911V86.9Confident81.8Confident93 Ų9361.2 Ų61.256%0.56428%0.281SS*.Hα-helixtrans-66.7-49.5179.9173.30000110.6C907 N913 R914C907-V911 WeakPolarHBondContact O-CG2 3.49Å; C907-V911 PolarHBondContact O-N 2.78Å; V911-N913 VanDerWaalsContact C-N 3.33Å; V911-N913 PolarHBondContact O-N 3.19Å; V911-R914 PolarHBondContact O-N 3.05Å
912K89.7Confident80.4Confident176 Ų17662.9 Ų62.977%0.76529%0.29SS*.Hα-helixtrans-58.6-43.8-178.3-178.1-177.8176.8-176.60111.9R908R908-K912 WeakPolarHBondContact O-CB 3.36Å; R908-K912 PolarHBondContact O-N 2.7Å
913N87.1Confident79.1Confident57 Ų5763.1 Ų63.131%0.30529%0.286SS..THydrogen-bonded Turntrans-93.24.3-174.7-60.4-22000113.3G909 V911 M915 V930G909-N913 VanDerWaalsContact O-CB 3.28Å; G909-N913 WeakPolarHBondContact O-CB 3.5Å; G909-N913 PolarHBondContact O-N 3.07Å; G909-N913 PolarHBondContact O-ND2 2.7Å; V911-N913 VanDerWaalsContact C-N 3.33Å; V911-N913 PolarHBondContact O-N 3.19Å; N913-M915 HydrophobicContact CB-CG 3.78Å; N913-M915 HydrophobicContact CB-SD 4.37Å; N913-M915 PolarHBondContact O-N 3.28Å; N913-V930 HydrophobicContact CB-CG1 4.17Å
914R85.5Confident78.2Confident227 Ų22763.9 Ų63.986%0.85729%0.29SS*.THydrogen-bonded Turntrans48.546.2-176.9-59.4-177.5178.7-177-0.6112.2I910 V911I910-R914 PolarHBondContact O-N 3.36Å; I910-R914 VanDerWaalsContact O-N 3.12Å; V911-R914 PolarHBondContact O-N 3.05Å
915M83.3Confident77.5Confident12 Ų1261.6 Ų61.66%0.05928%0.282CS..  trans-68.4141.7-176-56.5-177.273.900110.6I910 N913 A928 V930 Q933 Y935I910-M915 HydrophobicContact CG1-SD 4.16Å; I910-M915 HydrophobicContact CG2-CB 4.38Å; I910-M915 PolarHBondContact O-N 2.88Å; N913-M915 HydrophobicContact CB-CG 3.78Å; N913-M915 HydrophobicContact CB-SD 4.37Å; N913-M915 PolarHBondContact O-N 3.28Å; M915-A928 HydrophobicContact CB-CB 4.01Å; M915-A928 HydrophobicContact CE-CB 4.46Å; M915-A928 WeakPolarHBondContact CE-O 3.42Å; M915-V930 HydrophobicContact CB-CB 4.47Å; M915-V930 HydrophobicContact CE-CG1 4.07Å; M915-V930 HydrophobicContact CG-CB 4.03Å; M915-V930 HydrophobicContact CG-CG1 3.77Å; M915-V930 HydrophobicContact SD-CG1 4.41Å; M915-Q933 HydrophobicContact CE-CB 4.23Å; M915-Y935 HydrophobicContact CE-CD1 3.65Å; M915-Y935 HydrophobicContact CE-CD2 4.41Å; M915-Y935 HydrophobicContact CE-CE1 3.89Å; M915-Y935 HydrophobicContact CE-CG 3.92Å; M915-Y935 HydrophobicContact SD-CD1 4.15Å; M915-Y935 HydrophobicContact SD-CD2 3.98Å; M915-Y935 HydrophobicContact SD-CE1 4.07Å; M915-Y935 HydrophobicContact SD-CE2 3.92Å; M915-Y935 HydrophobicContact SD-CG 4.11Å
916R75.5Confident77.1Confident170 Ų17058 Ų5864%0.64227%0.266SS*.EExtended strand (participates in β ladder)trans-72.9136.5170.5-70.1-180179.4-172.63.7108.7A928 Y929R916-A928 CarbonylContact O-C 3.57Å; R916-A928 WeakPolarHBondContact O-CA 3.36Å; R916-Y929 HydrophobicContact CB-CD1 3.88Å; R916-Y929 HydrophobicContact CB-CE1 3.34Å; R916-Y929 WeakPolarHBondContact CD-OH 3.19Å; R916-Y929 HydrophobicContact CG-CE1 4.35Å; R916-Y929 PolarHBondContact N-O 3.5Å; R916-Y929 PolarHBondContact NH1-OH 2.9Å; R916-Y929 WeakPolarHBondContact O-CD1 3.14Å; R916-Y929 PolarHBondContact O-N 3.14Å
917K73.7Confident76.7Confident143 Ų14358.7 Ų58.762%0.62227%0.269SS*.EExtended strand (participates in β ladder)trans-109.8152.6-176.9-49.2-174.9-158.4-171.50110.2I910 F927 A928I910-K917 HydrophobicContact CG2-CD 4.05Å; I910-K917 HydrophobicContact CG2-CG 4.18Å; K917-F927 CarbonylContact C-O 3.54Å; K917-F927 WeakPolarHBondContact CA-O 3.21Å; K917-A928 HydrophobicContact CG-CB 4.37Å
918G68.7Low76.4Confident22 Ų2258 Ų5823%0.22726%0.264CS..EExtended strand (participates in β ladder)trans-155.5165.617200000111A926 F927G918-A926 WeakPolarHBondContact O-CA 3.43Å; G918-F927 VanDerWaalsContact C-CE1 3.5Å; G918-F927 PolarHBondContact N-O 3.46Å; G918-F927 WeakPolarHBondContact O-CD1 3.08Å; G918-F927 PolarHBondContact O-N 2.79Å
919I65.9Low76Confident38 Ų3853.1 Ų53.120%0.19525%0.246CC..EExtended strand (participates in β ladder)trans-123.8127.2171.4-58.8173.1000107P305 M576 L921 I925 A926 E941 T942P305-I919 HydrophobicContact CG-CD1 4.27Å; M576-I919 HydrophobicContact CE-CB 4.18Å; M576-I919 HydrophobicContact CE-CD1 3.82Å; M576-I919 HydrophobicContact CE-CG2 3.82Å; I919-L921 PolarHBondContact O-N 3.34Å; I919-I925 WeakPolarHBondContact CA-O 3.46Å; I919-A926 HydrophobicContact CG1-CB 4.45Å; I919-E941 HydrophobicContact CD1-CB 3.94Å; I919-E941 HydrophobicContact CD1-CG 4.4Å; I919-T942 HydrophobicContact CG2-CG2 4.06Å
920C63.4Low75.5Confident8 Ų854.3 Ų54.35%0.05425%0.251CS..EExtended strand (participates in β ladder)trans-79.8107.1169.8-176.30000107.7F886 D922 Q923 I924 I925F886-C920 PolarHBondContact O-SG 3.39Å; F886-C920 VanDerWaalsContact O-SG 3.39Å; C920-D922 VanDerWaalsContact C-N 3.28Å; C920-D922 PolarHBondContact O-N 2.89Å; C920-Q923 HydrophobicContact CB-CB 4.26Å; C920-Q923 PolarHBondContact O-N 2.92Å; C920-I924 WeakPolarHBondContact O-CA 2.91Å; C920-I924 PolarHBondContact O-N 2.6Å; C920-I925 HydrophobicContact CB-CG2 4.11Å; C920-I925 PolarHBondContact N-O 2.79Å; C920-I925 PolarHBondContact O-N 3.14Å
921L58.6Low75Confident9 Ų961.3 Ų61.35%0.04729%0.289CS..THydrogen-bonded Turntrans-65.1-31.8-176.8-64-174.6000113Q496 Q569 R572 L573 M576 I919 Q923Q496-L921 HydrophobicContact CG-CD1 3.77Å; Q569-L921 HydrophobicContact CB-CD1 4.19Å; Q569-L921 HydrophobicContact CG-CB 4.4Å; Q569-L921 HydrophobicContact CG-CD1 4.5Å; R572-L921 VanDerWaalsContact CD-O 3.22Å; R572-L921 WeakPolarHBondContact CD-O 3.49Å; R572-L921 PolarHBondContact NH1-O 2.84Å; L573-L921 HydrophobicContact CD1-CD1 4.08Å; M576-L921 HydrophobicContact CE-CD2 3.15Å; M576-L921 HydrophobicContact CG-CD2 3.93Å; M576-L921 HydrophobicContact SD-CD2 3.14Å; M576-L921 WeakPolarHBondContact SD-CD2 3.34Å; I919-L921 PolarHBondContact O-N 3.34Å; L921-Q923 VanDerWaalsContact C-N 3.28Å; L921-Q923 PolarHBondContact O-N 3.19Å
922D54.3Low74.7Confident38 Ų3861.1 Ų61.120%0.20328%0.278CS..THydrogen-bonded Turntrans-67-34.6178.6-65.7-20.8000111.5Q569 R572 C920Q569-D922 PolarHBondContact NE2-OD1 3.03Å; R572-D922 VanDerWaalsContact NH1-C 3.31Å; R572-D922 PolarHBondContact NH1-O 3.34Å; C920-D922 VanDerWaalsContact C-N 3.28Å; C920-D922 PolarHBondContact O-N 2.89Å
923Q60.1Low74.5Confident24 Ų2455.8 Ų55.811%0.11226%0.256CS..THydrogen-bonded Turntrans-105-10.5-176.3-60.2-168.1-49.200114M837 C920 L921 I925M837-Q923 HydrophobicContact CE-CB 4.3Å; M837-Q923 WeakPolarHBondContact CE-O 3.26Å; M837-Q923 HydrophobicContact SD-CB 3.92Å; M837-Q923 HydrophobicContact SD-CG 4.31Å; C920-Q923 HydrophobicContact CB-CB 4.26Å; C920-Q923 PolarHBondContact O-N 2.92Å; L921-Q923 VanDerWaalsContact C-N 3.28Å; L921-Q923 PolarHBondContact O-N 3.19Å; Q923-I925 VanDerWaalsContact C-N 3.28Å; Q923-I925 HydrophobicContact CB-CB 4.49Å; Q923-I925 HydrophobicContact CB-CG2 3.79Å; Q923-I925 PolarHBondContact O-N 3.21Å
924I67.3Low74.3Confident16 Ų1653.1 Ų53.18%0.08224%0.241CC..THydrogen-bonded Turntrans52.551.1-176.2-60174.1000110.2G301 I302 C920 L945 K946G301-I924 VanDerWaalsContact O-CD1 3.28Å; G301-I924 WeakPolarHBondContact O-CD1 3.2Å; I302-I924 HydrophobicContact CG1-CD1 4.42Å; C920-I924 WeakPolarHBondContact O-CA 2.91Å; C920-I924 PolarHBondContact O-N 2.6Å; I924-L945 HydrophobicContact CB-CD1 4.15Å; I924-L945 HydrophobicContact CD1-CD1 4.34Å; I924-L945 HydrophobicContact CG1-CD1 4.08Å; I924-L945 HydrophobicContact CG2-CB 3.61Å; I924-L945 HydrophobicContact CG2-CD1 3.17Å; I924-L945 HydrophobicContact CG2-CG 3.78Å; I924-K946 HydrophobicContact CG2-CD 4.39Å; I924-K946 HydrophobicContact CG2-CG 4.17Å; I924-K946 VanDerWaalsContact O-CE 3.24Å; I924-K946 WeakPolarHBondContact O-CE 3.48Å; I924-K946 PolarHBondContact O-NZ 3.28Å
925I72.7Confident74.4Confident13 Ų1342.9 Ų42.97%0.06720%0.203CC..EExtended strand (participates in β ladder)trans-136140180-164.366.4000110.3L888 I919 C920 Q923 V936 H937L888-I925 HydrophobicContact CD2-CG2 3.9Å; I919-I925 WeakPolarHBondContact CA-O 3.46Å; C920-I925 HydrophobicContact CB-CG2 4.11Å; C920-I925 PolarHBondContact N-O 2.79Å; C920-I925 PolarHBondContact O-N 3.14Å; Q923-I925 VanDerWaalsContact C-N 3.28Å; Q923-I925 HydrophobicContact CB-CB 4.49Å; Q923-I925 HydrophobicContact CB-CG2 3.79Å; Q923-I925 PolarHBondContact O-N 3.21Å; I925-V936 HydrophobicContact CG1-CG1 3.85Å; I925-H937 WeakPolarHBondContact CD1-O 3.2Å
926A77.9Confident74.3Confident4 Ų442.6 Ų42.63%0.03320%0.202CC..EExtended strand (participates in β ladder)trans-88.9146.5178.100000110G918 I919 H937 T942G918-A926 WeakPolarHBondContact O-CA 3.43Å; I919-A926 HydrophobicContact CG1-CB 4.45Å; A926-H937 WeakPolarHBondContact CB-O 3.36Å; A926-H937 PolarHBondContact N-O 2.61Å; A926-H937 VanDerWaalsContact N-O 3.08Å; A926-H937 PolarHBondContact O-N 2.66Å; A926-H937 VanDerWaalsContact O-O 3.07Å; A926-T942 HydrophobicContact CB-CG2 4.17Å
927F80.9Confident74.6Confident14 Ų1435.2 Ų35.26%0.06118%0.175CC..EExtended strand (participates in β ladder)trans-137.5153.4171.666-86.5000110.7V880 F886 L888 K917 G918 Y929 L934 Y935V880-F927 HydrophobicContact CG1-CE2 4.34Å; V880-F927 HydrophobicContact CG1-CZ 4.5Å; V880-F927 HydrophobicContact CG2-CE2 4.26Å; F886-F927 HydrophobicContact CD1-CE1 4.46Å; F886-F927 HydrophobicContact CD1-CZ 4.37Å; F886-F927 HydrophobicContact CE1-CZ 4.46Å; L888-F927 HydrophobicContact CD2-CB 4.09Å; L888-F927 HydrophobicContact CD2-CD1 4.37Å; L888-F927 HydrophobicContact CD2-CG 4.48Å; K917-F927 CarbonylContact C-O 3.54Å; K917-F927 WeakPolarHBondContact CA-O 3.21Å; G918-F927 VanDerWaalsContact C-CE1 3.5Å; G918-F927 PolarHBondContact N-O 3.46Å; G918-F927 WeakPolarHBondContact O-CD1 3.08Å; G918-F927 PolarHBondContact O-N 2.79Å; F927-Y929 HydrophobicContact CD2-CD1 4.28Å; F927-Y929 HydrophobicContact CE2-CD1 4.12Å; F927-Y929 HydrophobicContact CE2-CE1 4.43Å; F927-L934 HydrophobicContact CB-CD1 4.18Å; F927-L934 HydrophobicContact CD2-CD1 4.3Å; F927-Y935 CarbonylContact C-O 3.49Å; F927-Y935 WeakPolarHBondContact CA-O 3.42Å; F927-Y935 WeakPolarHBondContact CB-O 3.2Å
928A83.1Confident75Confident0 Ų028.7 Ų28.70%015%0.146CC..EExtended strand (participates in β ladder)trans-135.6140.217100000109.9I910 M915 R916 K917 L934 Y935I910-A928 HydrophobicContact CD1-CB 3.7Å; I910-A928 HydrophobicContact CG1-CB 3.64Å; I910-A928 HydrophobicContact CG2-CB 4.44Å; M915-A928 HydrophobicContact CB-CB 4.01Å; M915-A928 HydrophobicContact CE-CB 4.46Å; M915-A928 WeakPolarHBondContact CE-O 3.42Å; R916-A928 CarbonylContact O-C 3.57Å; R916-A928 WeakPolarHBondContact O-CA 3.36Å; K917-A928 HydrophobicContact CG-CB 4.37Å; A928-L934 CarbonylContact O-C 3.5Å; A928-L934 WeakPolarHBondContact O-CA 3.36Å; A928-Y935 PolarHBondContact N-O 2.84Å; A928-Y935 PolarHBondContact O-N 2.77Å
929Y82.1Confident75.5Confident35 Ų3528.1 Ų28.114%0.13714%0.139CC..EExtended strand (participates in β ladder)trans-141.6148.6-176.176.5-73.2000112.7F878 V880 R916 F927 Q933F878-Y929 HydrophobicContact CE1-CG 4.41Å; V880-Y929 HydrophobicContact CB-CE1 3.8Å; V880-Y929 HydrophobicContact CB-CE2 4.07Å; V880-Y929 VanDerWaalsContact CB-CZ 3.48Å; V880-Y929 WeakPolarHBondContact CB-OH 3.47Å; V880-Y929 HydrophobicContact CG1-CE1 3.83Å; V880-Y929 HydrophobicContact CG2-CD1 3.76Å; V880-Y929 HydrophobicContact CG2-CD2 3.98Å; V880-Y929 HydrophobicContact CG2-CE1 3.41Å; V880-Y929 VanDerWaalsContact CG2-CE1 3.41Å; V880-Y929 HydrophobicContact CG2-CE2 3.62Å; V880-Y929 HydrophobicContact CG2-CG 4.05Å; R916-Y929 HydrophobicContact CB-CD1 3.88Å; R916-Y929 HydrophobicContact CB-CE1 3.34Å; R916-Y929 WeakPolarHBondContact CD-OH 3.19Å; R916-Y929 HydrophobicContact CG-CE1 4.35Å; R916-Y929 PolarHBondContact N-O 3.5Å; R916-Y929 PolarHBondContact NH1-OH 2.9Å; R916-Y929 WeakPolarHBondContact O-CD1 3.14Å; R916-Y929 PolarHBondContact O-N 3.14Å; F927-Y929 HydrophobicContact CD2-CD1 4.28Å; F927-Y929 HydrophobicContact CE2-CD1 4.12Å; F927-Y929 HydrophobicContact CE2-CE1 4.43Å; Y929-Q933 CarbonylContact C-O 3.6Å; Y929-Q933 VanDerWaalsContact CA-O 3.23Å; Y929-Q933 WeakPolarHBondContact CA-O 3.4Å
930V79.9Confident76.1Confident36 Ų3627 Ų2722%0.21813%0.134CC..EExtended strand (participates in β ladder)trans-152.1128.6167.3700000108.7N913 M915 R932 Q933N913-V930 HydrophobicContact CB-CG1 4.17Å; M915-V930 HydrophobicContact CB-CB 4.47Å; M915-V930 HydrophobicContact CE-CG1 4.07Å; M915-V930 HydrophobicContact CG-CB 4.03Å; M915-V930 HydrophobicContact CG-CG1 3.77Å; M915-V930 HydrophobicContact SD-CG1 4.41Å; V930-R932 PolarHBondContact O-N 3.03Å; V930-Q933 HydrophobicContact CG1-CB 4.4Å; V930-Q933 PolarHBondContact N-O 2.81Å; V930-Q933 PolarHBondContact O-N 2.73Å
931N79.1Confident76.4Confident153 Ų15328 Ų2882%0.81814%0.138SC*.THydrogen-bonded Turntrans50.4-114.6-175.8-56.5-29.3000111.1
932R80.2Confident77.1Confident89 Ų8927.6 Ų27.634%0.33614%0.136SC..THydrogen-bonded Turntrans-970.3-179.2-63.9174.262.4-178.24.4113.6Q871 L872 E874 V930Q871-R932 CarbonylContact C-O 3.5Å; Q871-R932 WeakPolarHBondContact CA-O 3.3Å; L872-R932 PolarHBondContact N-O 3.17Å; L872-R932 PolarHBondContact O-NE 3.33Å; L872-R932 PolarHBondContact O-NH2 3.27Å; E874-R932 IonicContact OE1-CZ 3.83Å; E874-R932 IonicContact OE1-NH1 3.56Å; E874-R932 PolarHBondContact OE1-NH1 3.37Å; V930-R932 PolarHBondContact O-N 3.03Å
933Q84.8Confident78.2Confident64 Ų6425.8 Ų25.830%0.29913%0.126SC..EExtended strand (participates in β ladder)trans-97.5129.8179.5-69-171.2-22.500110.4M915 Y929 V930 Y935M915-Q933 HydrophobicContact CE-CB 4.23Å; Y929-Q933 CarbonylContact C-O 3.6Å; Y929-Q933 VanDerWaalsContact CA-O 3.23Å; Y929-Q933 WeakPolarHBondContact CA-O 3.4Å; V930-Q933 HydrophobicContact CG1-CB 4.4Å; V930-Q933 PolarHBondContact N-O 2.81Å; V930-Q933 PolarHBondContact O-N 2.73Å; Q933-Y935 HydrophobicContact CB-CE1 4.36Å
934L83.7Confident78.6Confident0 Ų025.9 Ų25.90%013%0.127CC..EExtended strand (participates in β ladder)trans-131.7125.7178.1170.869.9000109.7Y870 L872 F878 L888 L892 F927 A928 V936Y870-L934 PolarHBondContact N-O 3.12Å; Y870-L934 PolarHBondContact O-N 3.08Å; Y870-L934 VanDerWaalsContact O-N 3.07Å; L872-L934 HydrophobicContact CD1-CB 4.21Å; L872-L934 HydrophobicContact CD2-CD2 4.38Å; L872-L934 HydrophobicContact CG-CB 4.42Å; F878-L934 HydrophobicContact CD2-CD2 4.2Å; F878-L934 HydrophobicContact CE1-CD1 4.01Å; F878-L934 HydrophobicContact CE2-CD1 4.24Å; F878-L934 HydrophobicContact CE2-CD2 3.33Å; F878-L934 HydrophobicContact CE2-CG 4.34Å; F878-L934 HydrophobicContact CZ-CD1 3.52Å; F878-L934 HydrophobicContact CZ-CD2 3.53Å; F878-L934 HydrophobicContact CZ-CG 4.11Å; L888-L934 HydrophobicContact CD1-CD2 4.15Å; L892-L934 HydrophobicContact CD2-CD2 3.61Å; F927-L934 HydrophobicContact CB-CD1 4.18Å; F927-L934 HydrophobicContact CD2-CD1 4.3Å; A928-L934 CarbonylContact O-C 3.5Å; A928-L934 WeakPolarHBondContact O-CA 3.36Å; L934-V936 HydrophobicContact CD2-CG2 4.42Å; L934-V936 HydrophobicContact CG-CG2 4.17Å
935Y86.2Confident78.4Confident12 Ų1225.1 Ų25.15%0.04712%0.123CC..EExtended strand (participates in β ladder)trans-111.4131179.8-70.421.7000107.1S868 I869 I906 I910 M915 F927 A928 Q933S868-Y935 WeakPolarHBondContact O-CA 3.33Å; I869-Y935 HydrophobicContact CB-CD1 4.3Å; I869-Y935 HydrophobicContact CB-CE1 4.33Å; I869-Y935 HydrophobicContact CD1-CE1 4.26Å; I869-Y935 HydrophobicContact CD1-CE2 4.22Å; I869-Y935 HydrophobicContact CG1-CD1 3.95Å; I869-Y935 HydrophobicContact CG1-CD2 4.39Å; I869-Y935 HydrophobicContact CG1-CE1 4.01Å; I869-Y935 HydrophobicContact CG1-CE2 4.4Å; I869-Y935 HydrophobicContact CG1-CG 4.16Å; I869-Y935 HydrophobicContact CG2-CD1 3.86Å; I869-Y935 HydrophobicContact CG2-CE1 3.55Å; I906-Y935 HydrophobicContact CD1-CD2 4.01Å; I906-Y935 HydrophobicContact CD1-CG 4.46Å; I906-Y935 HydrophobicContact CG2-CD2 4.33Å; I910-Y935 HydrophobicContact CG1-CD2 4Å; M915-Y935 HydrophobicContact CE-CD1 3.65Å; M915-Y935 HydrophobicContact CE-CD2 4.41Å; M915-Y935 HydrophobicContact CE-CE1 3.89Å; M915-Y935 HydrophobicContact CE-CG 3.92Å; M915-Y935 HydrophobicContact SD-CD1 4.15Å; M915-Y935 HydrophobicContact SD-CD2 3.98Å; M915-Y935 HydrophobicContact SD-CE1 4.07Å; M915-Y935 HydrophobicContact SD-CE2 3.92Å; M915-Y935 HydrophobicContact SD-CG 4.11Å; F927-Y935 CarbonylContact C-O 3.49Å; F927-Y935 WeakPolarHBondContact CA-O 3.42Å; F927-Y935 WeakPolarHBondContact CB-O 3.2Å; A928-Y935 PolarHBondContact N-O 2.84Å; A928-Y935 PolarHBondContact O-N 2.77Å; Q933-Y935 HydrophobicContact CB-CE1 4.36Å
936V81.5Confident78.2Confident6 Ų625.5 Ų25.54%0.03613%0.125CC..EExtended strand (participates in β ladder)trans-123.3123.1179.3-176.60000107.4G867 S868 Y870 L888 L892 I925 L934G867-V936 CarbonylContact C-O 3.43Å; G867-V936 WeakPolarHBondContact CA-O 3.23Å; S868-V936 PolarHBondContact N-O 3.25Å; S868-V936 PolarHBondContact O-N 3.45Å; Y870-V936 HydrophobicContact CD2-CG2 3.97Å; Y870-V936 HydrophobicContact CE2-CB 4.21Å; Y870-V936 HydrophobicContact CE2-CG2 3.7Å; L888-V936 HydrophobicContact CD2-CG1 3.95Å; L888-V936 HydrophobicContact CD2-CG2 4.1Å; L892-V936 HydrophobicContact CD1-CG2 3.79Å; I925-V936 HydrophobicContact CG1-CG1 3.85Å; L934-V936 HydrophobicContact CD2-CG2 4.42Å; L934-V936 HydrophobicContact CG-CG2 4.17Å
937H82.9Confident77.1Confident16 Ų1625.4 Ų25.47%0.07412%0.123CC..EExtended strand (participates in β ladder)trans-156.8169.3-167.564.592.7000112.6M903 I906 I910 I925 A926M903-H937 HydrophobicContact CE-CB 3.94Å; M903-H937 HydrophobicContact SD-CB 4.27Å; I906-H937 HydrophobicContact CG2-CB 3.95Å; I910-H937 WeakPolarHBondContact CD1-NE2 3.26Å; I925-H937 WeakPolarHBondContact CD1-O 3.2Å; A926-H937 WeakPolarHBondContact CB-O 3.36Å; A926-H937 PolarHBondContact N-O 2.61Å; A926-H937 VanDerWaalsContact N-O 3.08Å; A926-H937 PolarHBondContact O-N 2.66Å; A926-H937 VanDerWaalsContact O-O 3.07Å
938E81.6Confident75.5Confident6 Ų624.7 Ų24.73%0.02812%0.121CC..  trans-80.4147163-63.4-64.3167.400110.2P864 M903 T942 M943 K946 M985P864-E938 HydrophobicContact CG-CG 4.13Å; P864-E938 WeakPolarHBondContact O-CG 3.42Å; M903-E938 VanDerWaalsContact SD-O 3.39Å; E938-T942 WeakPolarHBondContact CA-OG1 3.21Å; E938-T942 VanDerWaalsContact OE2-CB 3.31Å; E938-T942 WeakPolarHBondContact OE2-CB 3.47Å; E938-T942 PolarHBondContact OE2-OG1 2.99Å; E938-M943 HydrophobicContact CB-CE 4.06Å; E938-M943 HydrophobicContact CG-CE 4.05Å; E938-K946 IonicContact OE1-NZ 3.79Å; E938-K946 PolarHBondContact OE1-NZ 3.3Å; E938-K946 IonicContact OE2-NZ 2.85Å; E938-K946 PolarHBondContact OE2-NZ 3.3Å; E938-M985 HydrophobicContact CB-SD 4.21Å
939S78.7Confident73.3Confident10 Ų1024.7 Ų24.77%0.0712%0.121CC..  trans-120.5167.4169.280.20000109.7E941 T942 M943 M985S939-E941 WeakPolarHBondContact CB-OE2 3.14Å; S939-E941 PolarHBondContact O-N 2.66Å; S939-E941 VanDerWaalsContact O-N 3.17Å; S939-E941 WeakPolarHBondContact OG-CB 3.41Å; S939-E941 PolarHBondContact OG-N 3.44Å; S939-E941 PolarHBondContact OG-OE2 3.04Å; S939-T942 PolarHBondContact N-OG1 3.29Å; S939-T942 PolarHBondContact O-N 2.94Å; S939-T942 PolarHBondContact O-OG1 3.15Å; S939-T942 PolarHBondContact OG-N 3.1Å; S939-M943 VanDerWaalsContact O-CB 3.26Å; S939-M943 WeakPolarHBondContact O-CB 3.25Å; S939-M943 PolarHBondContact O-N 2.95Å; S939-M985 VanDerWaalsContact C-SD 3.56Å
940P78.9Confident70.8Confident15 Ų1524 Ų2410%0.09712%0.121CC..Hα-helixtrans-55.7-35.6175.6-18.729.6000110.9L944 T979 P984 M985 A988P940-L944 VanDerWaalsContact O-CG 3.25Å; P940-L944 WeakPolarHBondContact O-CG 3.15Å; P940-L944 PolarHBondContact O-N 2.99Å; P940-T979 HydrophobicContact CG-CG2 3.57Å; P940-P984 HydrophobicContact CG-CB 4.37Å; P940-M985 HydrophobicContact CB-CE 4.06Å; P940-M985 HydrophobicContact CG-CE 3.46Å; P940-M985 VanDerWaalsContact CG-CE 3.46Å; P940-A988 HydrophobicContact CB-CB 4.31Å; P940-A988 WeakPolarHBondContact O-CB 3.42Å
941E70.7Confident68.5Low29 Ų2925.2 Ų25.214%0.13612%0.123CC..Hα-helixtrans-62.6-54.2175.8-59.378.4-165.600112.1L304 P305 H306 I919 S939 M943 L944 L945L304-E941 WeakPolarHBondContact O-CG 3.25Å; P305-E941 HydrophobicContact CB-CG 3.67Å; P305-E941 WeakPolarHBondContact CB-OE1 3.44Å; P305-E941 HydrophobicContact CG-CG 3.71Å; H306-E941 IonicContact CD2-OE1 3.64Å; I919-E941 HydrophobicContact CD1-CB 3.94Å; I919-E941 HydrophobicContact CD1-CG 4.4Å; S939-E941 WeakPolarHBondContact CB-OE2 3.14Å; S939-E941 PolarHBondContact O-N 2.66Å; S939-E941 VanDerWaalsContact O-N 3.17Å; S939-E941 WeakPolarHBondContact OG-CB 3.41Å; S939-E941 PolarHBondContact OG-N 3.44Å; S939-E941 PolarHBondContact OG-OE2 3.04Å; E941-M943 VanDerWaalsContact C-N 3.26Å; E941-M943 PolarHBondContact O-N 2.8Å; E941-L944 WeakPolarHBondContact O-CB 3.41Å; E941-L944 PolarHBondContact O-N 3Å; E941-L944 VanDerWaalsContact O-N 3.1Å; E941-L945 WeakPolarHBondContact O-CD2 3.47Å; E941-L945 WeakPolarHBondContact O-CG 3.32Å; E941-L945 PolarHBondContact O-N 3.24Å
942T72.7Confident66.3Low0 Ų020.1 Ų20.10%09%0.093CC..Hα-helixtrans-65.1-33.2-179.864.90000112I919 A926 E938 S939 L945 K946I919-T942 HydrophobicContact CG2-CG2 4.06Å; A926-T942 HydrophobicContact CB-CG2 4.17Å; E938-T942 WeakPolarHBondContact CA-OG1 3.21Å; E938-T942 VanDerWaalsContact OE2-CB 3.31Å; E938-T942 WeakPolarHBondContact OE2-CB 3.47Å; E938-T942 PolarHBondContact OE2-OG1 2.99Å; S939-T942 PolarHBondContact N-OG1 3.29Å; S939-T942 PolarHBondContact O-N 2.94Å; S939-T942 PolarHBondContact O-OG1 3.15Å; S939-T942 PolarHBondContact OG-N 3.1Å; T942-L945 VanDerWaalsContact O-CB 3.27Å; T942-L945 WeakPolarHBondContact O-CB 3.33Å; T942-L945 PolarHBondContact O-N 2.74Å; T942-L945 VanDerWaalsContact O-N 3.17Å; T942-K946 PolarHBondContact O-N 3.49Å
943M77Confident64.6Low0 Ų016 Ų160%08%0.078CC..Hα-helixtrans-66.5-38174-169.861.160.100111.7L863 L865 E938 S939 E941 L945 K946 A947 L966 M985 A988 A989L863-M943 HydrophobicContact CB-CE 4.07Å; L863-M943 HydrophobicContact CB-SD 4.2Å; L863-M943 HydrophobicContact CD1-CE 4.23Å; L863-M943 HydrophobicContact CD1-SD 3.39Å; L863-M943 WeakPolarHBondContact CD1-SD 3.47Å; L863-M943 HydrophobicContact CG-SD 4.45Å; L865-M943 HydrophobicContact CD2-CE 4.12Å; E938-M943 HydrophobicContact CB-CE 4.06Å; E938-M943 HydrophobicContact CG-CE 4.05Å; S939-M943 VanDerWaalsContact O-CB 3.26Å; S939-M943 WeakPolarHBondContact O-CB 3.25Å; S939-M943 PolarHBondContact O-N 2.95Å; E941-M943 VanDerWaalsContact C-N 3.26Å; E941-M943 PolarHBondContact O-N 2.8Å; M943-L945 PolarHBondContact O-N 3.28Å; M943-L945 VanDerWaalsContact O-N 3.1Å; M943-K946 PolarHBondContact O-N 3.02Å; M943-A947 HydrophobicContact CG-CB 4.45Å; M943-A947 WeakPolarHBondContact O-CA 3.39Å; M943-A947 WeakPolarHBondContact O-CB 3.43Å; M943-A947 PolarHBondContact O-N 3.35Å; M943-A947 HydrophobicContact SD-CB 3.92Å; M943-L966 HydrophobicContact CE-CD2 4.16Å; M943-L966 HydrophobicContact SD-CD2 3.69Å; M943-M985 HydrophobicContact CB-SD 4.22Å; M943-M985 HydrophobicContact CE-CB 4.23Å; M943-M985 HydrophobicContact CE-CG 4.45Å; M943-M985 HydrophobicContact CE-SD 4.25Å; M943-M985 HydrophobicContact CG-CB 4.46Å; M943-M985 WeakPolarHBondContact CG-O 3.38Å; M943-A988 HydrophobicContact CB-CB 3.89Å; M943-A988 HydrophobicContact CG-CB 3.86Å; M943-A989 HydrophobicContact CG-CB 3.97Å; M943-A989 HydrophobicContact SD-CB 4.08Å
944L68.4Low63.4Low25 Ų2513.9 Ų13.913%0.1317%0.067CC..Hα-helixtrans-58.2-28.4175.1-76.6166.9000111.1P940 E941 S948 A953 A988 L991P940-L944 VanDerWaalsContact O-CG 3.25Å; P940-L944 WeakPolarHBondContact O-CG 3.15Å; P940-L944 PolarHBondContact O-N 2.99Å; E941-L944 WeakPolarHBondContact O-CB 3.41Å; E941-L944 PolarHBondContact O-N 3Å; E941-L944 VanDerWaalsContact O-N 3.1Å; L944-S948 WeakPolarHBondContact CD2-OG 3.44Å; L944-S948 WeakPolarHBondContact O-CB 3.47Å; L944-S948 PolarHBondContact O-N 3.25Å; L944-S948 VanDerWaalsContact O-N 3.16Å; L944-A953 HydrophobicContact CB-CB 4.27Å; L944-A953 CarbonylContact O-C 3.56Å; L944-A953 VanDerWaalsContact O-CB 3.24Å; L944-A953 WeakPolarHBondContact O-CB 3.48Å; L944-A953 VanDerWaalsContact O-O 3.04Å; L944-A988 HydrophobicContact CD2-CB 4.12Å; L944-A988 WeakPolarHBondContact CD2-O 3.48Å; L944-A988 HydrophobicContact CG-CB 3.98Å; L944-L991 HydrophobicContact CD2-CB 4.33Å; L944-L991 HydrophobicContact CD2-CD2 3.76Å
945L62.8Low62.5Low0 Ų014.4 Ų14.40%07%0.069CC..Hα-helixtrans-79.9-53.9-171.6-48.2-163.3000108.4I302 A303 M576 I924 E941 T942 M943 A947 A953 Y955I302-L945 HydrophobicContact CB-CB 3.83Å; I302-L945 HydrophobicContact CB-CD1 4.2Å; I302-L945 HydrophobicContact CB-CD2 3.94Å; I302-L945 HydrophobicContact CB-CG 4.14Å; I302-L945 VanDerWaalsContact CD1-C 3.44Å; I302-L945 HydrophobicContact CD1-CB 3.8Å; I302-L945 WeakPolarHBondContact CD1-O 3.24Å; I302-L945 HydrophobicContact CG1-CB 4.21Å; I302-L945 HydrophobicContact CG2-CB 4.41Å; I302-L945 HydrophobicContact CG2-CD2 3.91Å; I302-L945 WeakPolarHBondContact O-CD1 2.87Å; A303-L945 VanDerWaalsContact C-CD2 3.42Å; A303-L945 HydrophobicContact CB-CD2 3Å; A303-L945 HydrophobicContact CB-CG 4.32Å; A303-L945 WeakPolarHBondContact O-CD1 3.17Å; A303-L945 VanDerWaalsContact O-CD2 3.3Å; A303-L945 WeakPolarHBondContact O-CD2 3.33Å; M576-L945 HydrophobicContact SD-CD1 3.82Å; I924-L945 HydrophobicContact CB-CD1 4.15Å; I924-L945 HydrophobicContact CD1-CD1 4.34Å; I924-L945 HydrophobicContact CG1-CD1 4.08Å; I924-L945 HydrophobicContact CG2-CB 3.61Å; I924-L945 HydrophobicContact CG2-CD1 3.17Å; I924-L945 HydrophobicContact CG2-CG 3.78Å; E941-L945 WeakPolarHBondContact O-CD2 3.47Å; E941-L945 WeakPolarHBondContact O-CG 3.32Å; E941-L945 PolarHBondContact O-N 3.24Å; T942-L945 VanDerWaalsContact O-CB 3.27Å; T942-L945 WeakPolarHBondContact O-CB 3.33Å; T942-L945 PolarHBondContact O-N 2.74Å; T942-L945 VanDerWaalsContact O-N 3.17Å; M943-L945 PolarHBondContact O-N 3.28Å; M943-L945 VanDerWaalsContact O-N 3.1Å; L945-A947 VanDerWaalsContact C-N 3.35Å; L945-A953 HydrophobicContact CD2-CB 3.89Å; L945-Y955 VanDerWaalsContact O-CB 3.32Å; L945-Y955 WeakPolarHBondContact O-CB 2.96Å; L945-Y955 PolarHBondContact O-N 2.79Å
946K69.9Low61.6Low22 Ų2213.9 Ų13.910%0.0967%0.067CC..Hα-helixtrans-71.2-36.1-174.4-67.3166.9171.1160.60110.7L863 I924 E938 T942 M943 A956L863-K946 HydrophobicContact CD1-CB 3.46Å; L863-K946 VanDerWaalsContact CD1-CB 3.46Å; L863-K946 HydrophobicContact CD1-CD 4.47Å; L863-K946 HydrophobicContact CD2-CB 3.89Å; L863-K946 HydrophobicContact CD2-CD 3.92Å; L863-K946 HydrophobicContact CD2-CG 4.36Å; L863-K946 HydrophobicContact CG-CB 4.33Å; I924-K946 HydrophobicContact CG2-CD 4.39Å; I924-K946 HydrophobicContact CG2-CG 4.17Å; I924-K946 VanDerWaalsContact O-CE 3.24Å; I924-K946 WeakPolarHBondContact O-CE 3.48Å; I924-K946 PolarHBondContact O-NZ 3.28Å; E938-K946 IonicContact OE1-NZ 3.79Å; E938-K946 PolarHBondContact OE1-NZ 3.3Å; E938-K946 IonicContact OE2-NZ 2.85Å; E938-K946 PolarHBondContact OE2-NZ 3.3Å; T942-K946 PolarHBondContact O-N 3.49Å; M943-K946 PolarHBondContact O-N 3.02Å; K946-A956 VanDerWaalsContact O-CB 3.3Å; K946-A956 WeakPolarHBondContact O-CB 3.35Å
947A54.8Low61Low1 Ų115.7 Ų15.71%0.0087%0.073CC..Hα-helixtrans-124.7-26.3-164.700000118.4W632 L863 M943 L945 V964 A989W632-A947 WeakPolarHBondContact CZ2-O 3.41Å; L863-A947 HydrophobicContact CD1-CB 3.56Å; M943-A947 HydrophobicContact CG-CB 4.45Å; M943-A947 WeakPolarHBondContact O-CA 3.39Å; M943-A947 WeakPolarHBondContact O-CB 3.43Å; M943-A947 PolarHBondContact O-N 3.35Å; M943-A947 HydrophobicContact SD-CB 3.92Å; L945-A947 VanDerWaalsContact C-N 3.35Å; A947-V964 HydrophobicContact CB-CB 3.96Å; A947-V964 HydrophobicContact CB-CG1 3.83Å; A947-V964 HydrophobicContact CB-CG2 3.56Å; A947-A989 HydrophobicContact CB-CB 3.68Å
948S45.5Very low59.9Low0 Ų016.9 Ų16.90%08%0.084CC..  trans-62.7141.6-165-170.40000114.1L944 S950 A953 R954 A988 L991L944-S948 WeakPolarHBondContact CD2-OG 3.44Å; L944-S948 WeakPolarHBondContact O-CB 3.47Å; L944-S948 PolarHBondContact O-N 3.25Å; L944-S948 VanDerWaalsContact O-N 3.16Å; S948-S950 VanDerWaalsContact C-N 3.26Å; S948-S950 PolarHBondContact O-N 3.18Å; S948-S950 WeakPolarHBondContact OG-CB 3.45Å; S948-S950 PolarHBondContact OG-N 2.73Å; S948-S950 VanDerWaalsContact OG-N 3.12Å; S948-S950 PolarHBondContact OG-OG 2.95Å; S948-A953 WeakPolarHBondContact CB-O 2.83Å; S948-A953 VanDerWaalsContact O-O 3.1Å; S948-R954 WeakPolarHBondContact O-CG 3.25Å; S948-A988 WeakPolarHBondContact CB-O 3.37Å; S948-A988 PolarHBondContact OG-O 3.11Å; S948-L991 WeakPolarHBondContact OG-CB 3.28Å; S948-L991 PolarHBondContact OG-O 3.19Å
949G37.9Very low59.2Low0 Ų018 Ų180%09%0.088CC..  trans-84.718.4167.500000114.1R954 R957 L991 C993G949-R954 VanDerWaalsContact C-NE 3.35Å; G949-R954 VanDerWaalsContact C-NH2 3.28Å; G949-R954 VanDerWaalsContact O-CZ 3.28Å; G949-R954 PolarHBondContact O-NE 2.67Å; G949-R954 PolarHBondContact O-NH2 3.06Å; G949-R957 PolarHBondContact O-NH1 3.09Å; G949-R957 VanDerWaalsContact O-NH1 3.14Å; G949-L991 CarbonylContact C-O 3.51Å; G949-L991 WeakPolarHBondContact CA-O 3.44Å; G949-L991 PolarHBondContact N-O 2.68Å; G949-L991 VanDerWaalsContact N-O 3.09Å; G949-C993 PolarHBondContact O-N 3.35Å; G949-C993 VanDerWaalsContact O-N 3.11Å; G949-C993 PolarHBondContact O-SG 3.12Å
950S30.2Very low59Low21 Ų2122.8 Ų22.815%0.14711%0.113CC..BIsolated β-bridgetrans-96.3160.3-173.368.50000112.8S948 W952 R954 L991S948-S950 VanDerWaalsContact C-N 3.26Å; S948-S950 PolarHBondContact O-N 3.18Å; S948-S950 WeakPolarHBondContact OG-CB 3.45Å; S948-S950 PolarHBondContact OG-N 2.73Å; S948-S950 VanDerWaalsContact OG-N 3.12Å; S948-S950 PolarHBondContact OG-OG 2.95Å; S950-W952 PolarHBondContact O-N 3.2Å; S950-R954 PolarHBondContact O-NE 3.11Å; S950-R954 PolarHBondContact O-NH2 2.87Å; S950-R954 VanDerWaalsContact O-NH2 3.14Å; S950-L991 PolarHBondContact N-O 2.95Å
951F31.9Very low59.1Low61 Ų6122.5 Ų22.527%0.26811%0.111SC..THydrogen-bonded Turntrans-60.3-12.8-169.3-165.1-83000114T317 G615T317-F951 WeakPolarHBondContact O-CE1 3.32Å; T317-F951 WeakPolarHBondContact O-CZ 3.46Å; G615-F951 WeakPolarHBondContact CA-O 3.47Å; G615-F951 PolarHBondContact N-O 3.46Å; G615-F951 VanDerWaalsContact N-O 3.07Å
952W31.4Very low59.7Low45 Ų4523.6 Ų23.617%0.1712%0.118CC..THydrogen-bonded Turntrans-126.76.9-166.3-59.3104.3000115.6T317 T575 N578 S950T317-W952 WeakPolarHBondContact O-CH2 3.22Å; T317-W952 WeakPolarHBondContact O-CZ2 3.07Å; T575-W952 WeakPolarHBondContact CG2-O 3.12Å; N578-W952 VanDerWaalsContact OD1-CD1 3.24Å; N578-W952 PolarHBondContact OD1-NE1 3.27Å; S950-W952 PolarHBondContact O-N 3.2Å
953A45.1Very low60.3Low4 Ų423.6 Ų23.63%0.03312%0.118CC..BIsolated β-bridgetrans-167.1121.2175.700000112.4I302 A303 L944 L945 S948I302-A953 HydrophobicContact CG2-CB 3.68Å; A303-A953 HydrophobicContact CB-CB 3.78Å; L944-A953 HydrophobicContact CB-CB 4.27Å; L944-A953 CarbonylContact O-C 3.56Å; L944-A953 VanDerWaalsContact O-CB 3.24Å; L944-A953 WeakPolarHBondContact O-CB 3.48Å; L944-A953 VanDerWaalsContact O-O 3.04Å; L945-A953 HydrophobicContact CD2-CB 3.89Å; S948-A953 WeakPolarHBondContact CB-O 2.83Å; S948-A953 VanDerWaalsContact O-O 3.1Å
954R59.1Low60.8Low19 Ų1923.6 Ų23.67%0.07212%0.118CC..  trans-165.547.6-156.9-100.8-176.1-158.9-175.627.3117.8L613 C618 S948 G949 S950 A956 R957 S958 C993L613-R954 HydrophobicContact CD1-CB 4.04Å; C618-R954 PolarHBondContact SG-NH2 3.31Å; S948-R954 WeakPolarHBondContact O-CG 3.25Å; G949-R954 VanDerWaalsContact C-NE 3.35Å; G949-R954 VanDerWaalsContact C-NH2 3.28Å; G949-R954 VanDerWaalsContact O-CZ 3.28Å; G949-R954 PolarHBondContact O-NE 2.67Å; G949-R954 PolarHBondContact O-NH2 3.06Å; S950-R954 PolarHBondContact O-NE 3.11Å; S950-R954 PolarHBondContact O-NH2 2.87Å; S950-R954 VanDerWaalsContact O-NH2 3.14Å; R954-A956 VanDerWaalsContact C-N 3.34Å; R954-A956 PolarHBondContact O-N 3.06Å; R954-R957 HydrophobicContact CB-CB 3.88Å; R954-R957 HydrophobicContact CG-CB 3.66Å; R954-R957 HydrophobicContact CG-CG 4.04Å; R954-R957 VanDerWaalsContact NH1-NH1 3.1Å; R954-R957 CarbonylContact O-C 3.47Å; R954-R957 PolarHBondContact O-N 3.12Å; R954-S958 WeakPolarHBondContact O-CB 3.17Å; R954-S958 PolarHBondContact O-N 3.16Å; R954-S958 PolarHBondContact O-OG 2.76Å; R954-C993 PolarHBondContact NH2-SG 2.92Å
955Y65.7Low61.9Low10 Ų1022.4 Ų22.44%0.03911%0.111CC..Hα-helixtrans-49-55.5-179.4175.1-101.9000112I302 I842 D843 I846 L861 L945 R957 S958 K959I302-Y955 VanDerWaalsContact CD1-CB 3.48Å; I842-Y955 VanDerWaalsContact C-OH 3.27Å; I842-Y955 HydrophobicContact CG1-CE1 4.44Å; I842-Y955 HydrophobicContact CG2-CE1 4.02Å; I842-Y955 HydrophobicContact CG2-CE2 4.42Å; I842-Y955 PolarHBondContact O-OH 3.33Å; D843-Y955 WeakPolarHBondContact CA-OH 3.3Å; D843-Y955 VanDerWaalsContact CG-CE2 3.49Å; D843-Y955 PolarHBondContact N-OH 2.92Å; D843-Y955 WeakPolarHBondContact OD1-CE2 3.35Å; D843-Y955 PolarHBondContact OD1-OH 3.01Å; D843-Y955 VanDerWaalsContact OD1-OH 3.06Å; I846-Y955 HydrophobicContact CD1-CE1 3.58Å; I846-Y955 WeakPolarHBondContact CD1-OH 3.31Å; L861-Y955 HydrophobicContact CD2-CD1 3.91Å; L861-Y955 HydrophobicContact CD2-CE1 3.94Å; L945-Y955 VanDerWaalsContact O-CB 3.32Å; L945-Y955 WeakPolarHBondContact O-CB 2.96Å; L945-Y955 PolarHBondContact O-N 2.79Å; Y955-R957 VanDerWaalsContact C-N 3.27Å; Y955-R957 PolarHBondContact O-N 2.97Å; Y955-S958 PolarHBondContact O-N 3.08Å; Y955-S958 PolarHBondContact O-OG 3.36Å; Y955-K959 HydrophobicContact CD2-CG 4.29Å; Y955-K959 HydrophobicContact CE1-CG 4.44Å; Y955-K959 HydrophobicContact CE2-CG 3.94Å; Y955-K959 WeakPolarHBondContact O-CB 2.93Å; Y955-K959 WeakPolarHBondContact O-CG 3.48Å; Y955-K959 PolarHBondContact O-N 2.01Å
956A68.1Low63.2Low1 Ų122.4 Ų22.41%0.00811%0.111CC..Hα-helixtrans-66.2-28.8-177.800000112.3W632 K946 R954 N960 L961 V964W632-A956 HydrophobicContact CH2-CB 3.55Å; W632-A956 HydrophobicContact CZ2-CB 4.26Å; K946-A956 VanDerWaalsContact O-CB 3.3Å; K946-A956 WeakPolarHBondContact O-CB 3.35Å; R954-A956 VanDerWaalsContact C-N 3.34Å; R954-A956 PolarHBondContact O-N 3.06Å; A956-N960 PolarHBondContact O-N 2.8Å; A956-L961 HydrophobicContact CB-CB 4.24Å; A956-L961 HydrophobicContact CB-CD1 3.63Å; A956-L961 HydrophobicContact CB-CG 4.21Å; A956-L961 WeakPolarHBondContact O-CA 3.38Å; A956-L961 WeakPolarHBondContact O-CB 3.45Å; A956-L961 VanDerWaalsContact O-CG 3.27Å; A956-L961 WeakPolarHBondContact O-CG 3.27Å; A956-L961 PolarHBondContact O-N 3.05Å; A956-V964 HydrophobicContact CB-CG1 3.63Å
957R67.4Low63.9Low44 Ų4421.7 Ų21.717%0.16611%0.108CC..Hα-helixtrans-81.3-36.3174.7-78.8-171.7175.9-17611.4113W632 G949 R954 Y955 K959 N960 D992 C993W632-R957 VanDerWaalsContact CB-NH2 3.29Å; W632-R957 HydrophobicContact CD2-CG 3.95Å; W632-R957 VanDerWaalsContact CD2-NE 3.29Å; W632-R957 HydrophobicContact CE3-CG 3.49Å; W632-R957 VanDerWaalsContact CE3-CG 3.49Å; W632-R957 HydrophobicContact CH2-CB 4.35Å; W632-R957 HydrophobicContact CH2-CG 3.44Å; W632-R957 VanDerWaalsContact CH2-CG 3.44Å; W632-R957 HydrophobicContact CZ2-CG 3.89Å; W632-R957 HydrophobicContact CZ3-CB 4.23Å; W632-R957 HydrophobicContact CZ3-CG 3.23Å; G949-R957 PolarHBondContact O-NH1 3.09Å; G949-R957 VanDerWaalsContact O-NH1 3.14Å; R954-R957 HydrophobicContact CB-CB 3.88Å; R954-R957 HydrophobicContact CG-CB 3.66Å; R954-R957 HydrophobicContact CG-CG 4.04Å; R954-R957 VanDerWaalsContact NH1-NH1 3.1Å; R954-R957 CarbonylContact O-C 3.47Å; R954-R957 PolarHBondContact O-N 3.12Å; Y955-R957 VanDerWaalsContact C-N 3.27Å; Y955-R957 PolarHBondContact O-N 2.97Å; R957-K959 VanDerWaalsContact C-N 3.32Å; R957-N960 WeakPolarHBondContact O-CA 3.41Å; R957-N960 PolarHBondContact O-N 3.3Å; R957-D992 IonicContact CZ-OD1 2.65Å; R957-D992 IonicContact NH1-OD1 3.44Å; R957-D992 IonicContact NH2-OD1 2.62Å; R957-D992 PolarHBondContact NH2-OD1 2.95Å; R957-C993 PolarHBondContact NH1-SG 3.43Å
958S60.8Low65.1Low41 Ų4121.9 Ų21.929%0.28711%0.109SC..Hα-helixtrans-67.3-38.417972.10000110.5E300 R954 Y955 N960E300-S958 WeakPolarHBondContact OE2-CB 3.03Å; E300-S958 PolarHBondContact OE2-OG 3.08Å; R954-S958 WeakPolarHBondContact O-CB 3.17Å; R954-S958 PolarHBondContact O-N 3.16Å; R954-S958 PolarHBondContact O-OG 2.76Å; Y955-S958 PolarHBondContact O-N 3.08Å; Y955-S958 PolarHBondContact O-OG 3.36Å; S958-N960 PolarHBondContact O-N 3.27Å
959K67.1Low67Low30 Ų3022 Ų2213%0.1311%0.109CC..THydrogen-bonded Turntrans-76.25170.2-57.6-69.2165.2152.40113.8Y299 D843 A856 Y955 R957 L961Y299-K959 PolarHBondContact O-NZ 3.47Å; D843-K959 WeakPolarHBondContact OD1-CE 3.45Å; D843-K959 IonicContact OD1-NZ 3.85Å; D843-K959 PolarHBondContact OD1-NZ 2.75Å; A856-K959 VanDerWaalsContact CB-O 3.23Å; A856-K959 WeakPolarHBondContact CB-O 3.43Å; Y955-K959 HydrophobicContact CD2-CG 4.29Å; Y955-K959 HydrophobicContact CE1-CG 4.44Å; Y955-K959 HydrophobicContact CE2-CG 3.94Å; Y955-K959 WeakPolarHBondContact O-CB 2.93Å; Y955-K959 WeakPolarHBondContact O-CG 3.48Å; Y955-K959 PolarHBondContact O-N 2.01Å; R957-K959 VanDerWaalsContact C-N 3.32Å; K959-L961 VanDerWaalsContact C-N 3.28Å; K959-L961 HydrophobicContact CB-CD2 4.21Å; K959-L961 HydrophobicContact CB-CG 4.2Å; K959-L961 PolarHBondContact O-N 2.75Å
960N73.6Confident69.1Low111 Ų11124.5 Ų24.559%0.59412%0.123SC*.THydrogen-bonded Turntrans55.338.6178.3-166.339.2000113.7A856 R857 A956 R957 S958A856-N960 CarbonylContact C-O 3.54Å; R857-N960 VanDerWaalsContact CA-O 3.32Å; R857-N960 WeakPolarHBondContact CA-O 3.37Å; R857-N960 PolarHBondContact N-O 3.37Å; A956-N960 PolarHBondContact O-N 2.8Å; R957-N960 WeakPolarHBondContact O-CA 3.41Å; R957-N960 PolarHBondContact O-N 3.3Å; S958-N960 PolarHBondContact O-N 3.27Å
961L80.3Confident71.8Confident8 Ų826 Ų264%0.04213%0.128CC..  trans-70.7159.4172.8-49.8-176.4000111.3W632 I846 A856 I859 L861 A956 K959 G963W632-L961 WeakPolarHBondContact CZ3-O 3.24Å; I846-L961 HydrophobicContact CD1-CD1 3.62Å; I846-L961 HydrophobicContact CD1-CD2 3.84Å; I846-L961 HydrophobicContact CD1-CG 4.29Å; I846-L961 HydrophobicContact CG2-CD2 3.98Å; A856-L961 HydrophobicContact CB-CD2 3.85Å; A856-L961 WeakPolarHBondContact O-CA 3.49Å; I859-L961 HydrophobicContact CB-CD2 3.95Å; I859-L961 HydrophobicContact CG2-CD1 4.36Å; I859-L961 HydrophobicContact CG2-CD2 4.08Å; I859-L961 WeakPolarHBondContact O-CB 3.48Å; L861-L961 HydrophobicContact CB-CD1 3.98Å; A956-L961 HydrophobicContact CB-CB 4.24Å; A956-L961 HydrophobicContact CB-CD1 3.63Å; A956-L961 HydrophobicContact CB-CG 4.21Å; A956-L961 WeakPolarHBondContact O-CA 3.38Å; A956-L961 WeakPolarHBondContact O-CB 3.45Å; A956-L961 VanDerWaalsContact O-CG 3.27Å; A956-L961 WeakPolarHBondContact O-CG 3.27Å; A956-L961 PolarHBondContact O-N 3.05Å; K959-L961 VanDerWaalsContact C-N 3.28Å; K959-L961 HydrophobicContact CB-CD2 4.21Å; K959-L961 HydrophobicContact CB-CG 4.2Å; K959-L961 PolarHBondContact O-N 2.75Å; L961-G963 PolarHBondContact O-N 2.95Å
962L84.8Confident74.4Confident53 Ų5323.1 Ų23.128%0.27712%0.116SC..SBendtrans-65.3-32.8176.6-173.759.4000112R633 H809 R857 I859 V860R633-L962 PolarHBondContact N-O 2.79Å; R633-L962 VanDerWaalsContact N-O 3.1Å; H809-L962 HydrophobicContact CB-CD2 3.46Å; H809-L962 VanDerWaalsContact CB-CD2 3.46Å; R857-L962 WeakPolarHBondContact O-CB 3.29Å; I859-L962 VanDerWaalsContact O-CB 3.32Å; I859-L962 WeakPolarHBondContact O-CB 3.43Å; I859-L962 PolarHBondContact O-N 3.44Å; V860-L962 HydrophobicContact CG2-CB 4.05Å; V860-L962 HydrophobicContact CG2-CD2 3.95Å; V860-L962 HydrophobicContact CG2-CG 4.26Å
963G85.1Confident76.8Confident0 Ų021 Ų210%011%0.107CC..EExtended strand (participates in β ladder)trans166.5-162.7-175.700000113.2R633 V860 L861 L961R633-G963 CarbonylContact O-C 3.53Å; R633-G963 WeakPolarHBondContact O-CA 3.37Å; V860-G963 WeakPolarHBondContact CA-O 2.74Å; L861-G963 PolarHBondContact N-O 2.9Å; L861-G963 VanDerWaalsContact N-O 3.11Å; L961-G963 PolarHBondContact O-N 2.95Å
964V87.5Confident78.3Confident0 Ų023 Ų230%012%0.118CC..EExtended strand (participates in β ladder)trans-129.9151.7177.6-67.40000111.4W632 R633 V634 Q635 L861 A947 A956W632-V964 HydrophobicContact CH2-CG1 4.34Å; W632-V964 HydrophobicContact CZ2-CG1 4.02Å; W632-V964 HydrophobicContact CZ2-CG2 4.21Å; R633-V964 PolarHBondContact O-N 2.94Å; V634-V964 WeakPolarHBondContact CA-O 3.19Å; Q635-V964 PolarHBondContact N-O 3.01Å; L861-V964 HydrophobicContact CB-CG1 4.46Å; L861-V964 CarbonylContact O-C 3.54Å; L861-V964 VanDerWaalsContact O-CA 3.24Å; L861-V964 WeakPolarHBondContact O-CA 3.19Å; A947-V964 HydrophobicContact CB-CB 3.96Å; A947-V964 HydrophobicContact CB-CG1 3.83Å; A947-V964 HydrophobicContact CB-CG2 3.56Å; A956-V964 HydrophobicContact CB-CG1 3.63Å
965A90.3Very high78.7Confident0 Ų023.5 Ų23.50%013%0.129CC..EExtended strand (participates in β ladder)trans-118.1146.3172.500000111.2Q635 Y637 T811 V860 L861 A862 L863Q635-A965 HydrophobicContact CB-CB 3.85Å; Q635-A965 HydrophobicContact CG-CB 4.15Å; Q635-A965 CarbonylContact O-C 3.59Å; Q635-A965 WeakPolarHBondContact O-CA 3Å; Y637-A965 HydrophobicContact CD2-CB 4.28Å; Y637-A965 HydrophobicContact CE2-CB 3.72Å; T811-A965 HydrophobicContact CG2-CB 4.13Å; V860-A965 HydrophobicContact CG1-CB 3.82Å; L861-A965 PolarHBondContact O-N 2.8Å; A862-A965 CarbonylContact C-O 3.58Å; A862-A965 WeakPolarHBondContact CA-O 3.39Å; A862-A965 HydrophobicContact CB-CB 3.97Å; L863-A965 PolarHBondContact N-O 3Å
966L89.9Confident79Confident0 Ų026.2 Ų26.20%015%0.146CC..EExtended strand (participates in β ladder)trans-112.2115.2178.5-59.3-179.4000109.7Q635 Y637 L863 L865 M943 L986 A989Q635-L966 PolarHBondContact O-N 2.79Å; Y637-L966 WeakPolarHBondContact CB-O 3.28Å; Y637-L966 WeakPolarHBondContact CD2-O 3.42Å; Y637-L966 PolarHBondContact N-O 3.15Å; L863-L966 HydrophobicContact CB-CD2 4.41Å; L865-L966 HydrophobicContact CD1-CB 3.77Å; L865-L966 HydrophobicContact CD2-CB 4.48Å; L865-L966 HydrophobicContact CD2-CD2 4.38Å; L865-L966 HydrophobicContact CG-CB 4.16Å; M943-L966 HydrophobicContact CE-CD2 4.16Å; M943-L966 HydrophobicContact SD-CD2 3.69Å; L966-L986 HydrophobicContact CD1-CB 4.07Å; L966-L986 HydrophobicContact CD1-CD1 3.69Å; L966-A989 HydrophobicContact CD1-CB 3.99Å; L966-A989 HydrophobicContact CD2-CB 3.87Å; L966-A989 HydrophobicContact CG-CB 4.34Å
967H86.3Confident79.5Confident7 Ų728.1 Ų28.13%0.03216%0.158CC..EExtended strand (participates in β ladder)trans-116.698.5-172.7-167.694.1000111.1Y637 F664 F815 I831 L863 P864 L865 F866Y637-H967 HydrophobicContact CD2-CB 3.89Å; Y637-H967 AromaticContact CD2-ND1 3.54Å; Y637-H967 HydrophobicContact CE2-CB 4.43Å; Y637-H967 AromaticContact CE2-ND1 3.92Å; Y637-H967 AromaticContact CG-ND1 3.67Å; F664-H967 AromaticContact CE2-CE1 3.75Å; F664-H967 AromaticContact CZ-CE1 3.42Å; F664-H967 VanDerWaalsContact CZ-CE1 3.42Å; F664-H967 WeakPolarHBondContact CZ-CE1 3.19Å; F664-H967 AromaticContact CZ-ND1 3.92Å; F815-H967 HydrophobicContact CE1-CB 3.94Å; F815-H967 AromaticContact CE2-CD2 3.95Å; F815-H967 HydrophobicContact CZ-CB 3.5Å; F815-H967 AromaticContact CZ-CD2 3.6Å; F815-H967 AromaticContact CZ-CG 3.52Å; I831-H967 WeakPolarHBondContact CD1-CD2 3.42Å; I831-H967 WeakPolarHBondContact CD1-NE2 3.3Å; L863-H967 PolarHBondContact O-N 2.95Å; P864-H967 CarbonylContact C-O 3.53Å; P864-H967 WeakPolarHBondContact CA-O 3.4Å; L865-H967 PolarHBondContact N-O 3.22Å; F866-H967 WeakPolarHBondContact CE1-O 3.39Å
968M80Confident79.6Confident5 Ų527.6 Ų27.63%0.02516%0.161CC..THydrogen-bonded Turncis-133.9152.5-0.650.1175.9-68.200110.4A639 I828 L865 N970 M971A639-M968 HydrophobicContact CB-CE 3.24Å; A639-M968 HydrophobicContact CB-SD 4.14Å; A639-M968 VanDerWaalsContact N-CE 3.31Å; I828-M968 HydrophobicContact CD1-SD 4.37Å; L865-M968 WeakPolarHBondContact CB-O 3.46Å; L865-M968 VanDerWaalsContact CD1-C 3.45Å; L865-M968 VanDerWaalsContact CD1-O 3.31Å; L865-M968 WeakPolarHBondContact CD1-O 3.37Å; M968-N970 HydrophobicContact CE-CB 3.69Å; M968-N970 VanDerWaalsContact CE-CG 3.42Å; M968-N970 WeakPolarHBondContact CE-OD1 3.43Å; M968-N970 PolarHBondContact O-N 3.15Å; M968-N970 VanDerWaalsContact O-N 3.11Å; M968-M971 HydrophobicContact CG-CE 4.1Å; M968-M971 HydrophobicContact CG-CG 3.99Å; M968-M971 HydrophobicContact CG-SD 3.98Å; M968-M971 WeakPolarHBondContact O-CB 3.42Å; M968-M971 PolarHBondContact O-N 3.48Å; M968-M971 HydrophobicContact SD-CE 4.11Å
969L85.3Confident80.1Confident1 Ų129 Ų291%0.00517%0.168CC..G310 helixtrans-58.2-30.3-168.4-171.664.1000113.4C636 Y637 I654 M971 D972 Y983 L986C636-L969 HydrophobicContact CB-CD2 4.39Å; Y637-L969 VanDerWaalsContact O-CB 3.28Å; Y637-L969 WeakPolarHBondContact O-CB 3.36Å; Y637-L969 PolarHBondContact O-N 2.9Å; I654-L969 HydrophobicContact CD1-CD2 3.69Å; I654-L969 HydrophobicContact CG1-CD2 4.02Å; I654-L969 HydrophobicContact CG2-CD2 4Å; L969-M971 PolarHBondContact O-N 2.98Å; L969-M971 VanDerWaalsContact O-N 3.11Å; L969-D972 HydrophobicContact CD1-CB 4.49Å; L969-D972 PolarHBondContact O-N 3.01Å; L969-D972 VanDerWaalsContact O-N 3.12Å; L969-Y983 HydrophobicContact CD1-CD1 3.73Å; L969-Y983 HydrophobicContact CD1-CE1 4.14Å; L969-Y983 HydrophobicContact CG-CD1 4.27Å; L969-Y983 HydrophobicContact CG-CE1 4.16Å; L969-L986 HydrophobicContact CD1-CB 4.24Å; L969-L986 HydrophobicContact CD1-CD2 3.96Å
970N82.1Confident80.4Confident54 Ų5429.9 Ų29.929%0.28918%0.184SC..G310 helixtrans-60.9-16.6173.7-51.564000113.5Y638 A639 M968Y638-N970 WeakPolarHBondContact CA-OD1 3.22Å; Y638-N970 WeakPolarHBondContact CD2-OD1 3.41Å; Y638-N970 WeakPolarHBondContact CE2-ND2 3.23Å; A639-N970 PolarHBondContact N-OD1 2.87Å; A639-N970 VanDerWaalsContact N-OD1 3.12Å; A639-N970 PolarHBondContact O-ND2 3.19Å; M968-N970 HydrophobicContact CE-CB 3.69Å; M968-N970 VanDerWaalsContact CE-CG 3.42Å; M968-N970 WeakPolarHBondContact CE-OD1 3.43Å; M968-N970 PolarHBondContact O-N 3.15Å; M968-N970 VanDerWaalsContact O-N 3.11Å
971M85.8Confident80.5Confident51 Ų5130 Ų3025%0.25118%0.182SC..G310 helixtrans-100.7-6.3179.7-59.7-177.717600113.1L865 F866 G902 M903 M968 L969L865-M971 HydrophobicContact CB-CB 4.14Å; L865-M971 CarbonylContact O-C 3.53Å; L865-M971 WeakPolarHBondContact O-CB 3.08Å; L865-M971 VanDerWaalsContact O-O 3.06Å; F866-M971 HydrophobicContact CB-SD 3.78Å; F866-M971 HydrophobicContact CD1-SD 3.79Å; F866-M971 HydrophobicContact CG-SD 4.12Å; G902-M971 CarbonylContact C-O 2.86Å; M903-M971 PolarHBondContact N-O 3.02Å; M968-M971 HydrophobicContact CG-CE 4.1Å; M968-M971 HydrophobicContact CG-CG 3.99Å; M968-M971 HydrophobicContact CG-SD 3.98Å; M968-M971 WeakPolarHBondContact O-CB 3.42Å; M968-M971 PolarHBondContact O-N 3.48Å; M968-M971 HydrophobicContact SD-CE 4.11Å; L969-M971 PolarHBondContact O-N 2.98Å; L969-M971 VanDerWaalsContact O-N 3.11Å
972D86.2Confident80.4Confident1 Ų130.9 Ų30.91%0.00519%0.188CC..SBendtrans-68.4165.4170.2-157.4-4000110.4L865 L969 D974 Y983 P984 M985 L986L865-D972 HydrophobicContact CD1-CB 4.06Å; L969-D972 HydrophobicContact CD1-CB 4.49Å; L969-D972 PolarHBondContact O-N 3.01Å; L969-D972 VanDerWaalsContact O-N 3.12Å; D972-D974 PolarHBondContact O-N 3.12Å; D972-Y983 HydrophobicContact CB-CD1 4.01Å; D972-Y983 VanDerWaalsContact OD2-C 3.27Å; D972-Y983 VanDerWaalsContact OD2-CA 3.22Å; D972-Y983 WeakPolarHBondContact OD2-CA 3.35Å; D972-P984 WeakPolarHBondContact OD1-CD 3.33Å; D972-M985 WeakPolarHBondContact OD1-CG 3.41Å; D972-M985 PolarHBondContact OD1-N 2.91Å; D972-M985 PolarHBondContact OD2-N 2.87Å; D972-L986 PolarHBondContact OD2-N 3.41Å
973D82.3Confident80.3Confident0 Ų029.5 Ų29.50%018%0.179CC..  trans-84.690.2178.9-178.629.5000112.3M903 R904 G975 V976 V977 C978 P982 Y983 P984M903-D973 HydrophobicContact CB-CB 4.48Å; R904-D973 HydrophobicContact CB-CB 4.45Å; R904-D973 IonicContact NE-OD1 3.37Å; D973-G975 PolarHBondContact O-N 2.96Å; D973-G975 VanDerWaalsContact OD1-CA 3.31Å; D973-G975 WeakPolarHBondContact OD1-CA 3.48Å; D973-G975 PolarHBondContact OD1-N 3.34Å; D973-V976 PolarHBondContact OD1-N 2.81Å; D973-V976 PolarHBondContact OD2-N 3.1Å; D973-V977 WeakPolarHBondContact OD2-CA 3.22Å; D973-V977 PolarHBondContact OD2-N 2.82Å; D973-C978 HydrophobicContact CB-CB 4.46Å; D973-C978 VanDerWaalsContact CB-SG 3.58Å; D973-C978 PolarHBondContact OD2-N 3.5Å; D973-C978 PolarHBondContact OD2-SG 3.03Å; D973-P982 WeakPolarHBondContact O-CA 3.27Å; D973-Y983 PolarHBondContact O-N 2.81Å; D973-P984 HydrophobicContact CB-CG 4.02Å; D973-P984 VanDerWaalsContact O-CD 3.28Å; D973-P984 WeakPolarHBondContact O-CD 2.95Å
974D75.7Confident80.3Confident48 Ų4829.8 Ų29.826%0.25718%0.181SC..THydrogen-bonded Turntrans-77.5-2.3168.160.7-44.9000112.6R904 D972 Y983R904-D974 IonicContact CZ-OD1 3.57Å; R904-D974 IonicContact CZ-OD2 2.76Å; R904-D974 VanDerWaalsContact CZ-OD2 3.24Å; R904-D974 IonicContact NE-OD1 2.95Å; R904-D974 PolarHBondContact NE-OD1 3.33Å; R904-D974 IonicContact NH1-OD1 3.64Å; R904-D974 PolarHBondContact NH1-OD1 3.19Å; R904-D974 IonicContact NH1-OD2 2.8Å; R904-D974 PolarHBondContact NH1-OD2 3.3Å; R904-D974 VanDerWaalsContact NH1-OD2 3.12Å; R904-D974 VanDerWaalsContact NH2-C 3.3Å; R904-D974 IonicContact NH2-OD1 3.75Å; R904-D974 PolarHBondContact NH2-OD1 3.37Å; R904-D974 IonicContact NH2-OD2 2.73Å; R904-D974 PolarHBondContact NH2-OD2 3.33Å; D972-D974 PolarHBondContact O-N 3.12Å; D974-Y983 HydrophobicContact CB-CE1 3.92Å; D974-Y983 HydrophobicContact CB-CE2 4Å
975G68Low80.1Confident29 Ų2929.9 Ų29.930%0.29918%0.181SC..THydrogen-bonded Turntrans-105.27.6-174.700000115.4R904 D973 V977R904-G975 VanDerWaalsContact NH2-CA 3.27Å; D973-G975 PolarHBondContact O-N 2.96Å; D973-G975 VanDerWaalsContact OD1-CA 3.31Å; D973-G975 WeakPolarHBondContact OD1-CA 3.48Å; D973-G975 PolarHBondContact OD1-N 3.34Å; G975-V977 PolarHBondContact O-N 2.98Å
976V73.4Confident79.9Confident66 Ų6630 Ų3040%0.418%0.182SC..SBendtrans67.121168.5-161.90000112.9D973 G980 P982D973-V976 PolarHBondContact OD1-N 2.81Å; D973-V976 PolarHBondContact OD2-N 3.1Å; V976-G980 VanDerWaalsContact CG1-CA 3.49Å; V976-G980 WeakPolarHBondContact CG1-O 3.21Å; V976-P982 HydrophobicContact CG2-CB 4.29Å
977V77.4Confident79.5Confident42 Ų4231.3 Ų31.326%0.25519%0.191SC..  trans-81.5-40.8-176.8-173.30000112.7C907 R908 D973 G975C907-V977 HydrophobicContact CB-CB 4.23Å; C907-V977 HydrophobicContact CB-CG1 3.88Å; R908-V977 HydrophobicContact CB-CG1 4.45Å; R908-V977 HydrophobicContact CG-CB 4.42Å; R908-V977 HydrophobicContact CG-CG1 3.73Å; R908-V977 HydrophobicContact CG-CG2 3.99Å; D973-V977 WeakPolarHBondContact OD2-CA 3.22Å; D973-V977 PolarHBondContact OD2-N 2.82Å; G975-V977 PolarHBondContact O-N 2.98Å
978C70.6Confident79Confident33 Ų3331.3 Ų31.322%0.22319%0.192CC..SBendtrans-74.1-44.4-171.7-60.70000112.6C907 D973 P984C907-C978 HydrophobicContact CB-CB 3.95Å; C907-C978 WeakPolarHBondContact CB-SG 3.49Å; C907-C978 WeakPolarHBondContact SG-CB 3.17Å; C907-C978 CovalentContact SG-SG 2.02Å; C907-C978 PolarHBondContact SG-SG 3.26Å; D973-C978 HydrophobicContact CB-CB 4.46Å; D973-C978 VanDerWaalsContact CB-SG 3.58Å; D973-C978 PolarHBondContact OD2-N 3.5Å; D973-C978 PolarHBondContact OD2-SG 3.03Å; C978-P984 HydrophobicContact CB-CG 4.08Å
979T69.7Low78.9Confident71 Ų7131 Ų3144%0.43619%0.191SC..SBendtrans-135.5-4.1-16761.20000114.8P940 E981 P984P940-T979 HydrophobicContact CG-CG2 3.57Å; T979-E981 VanDerWaalsContact C-N 3.32Å; T979-E981 PolarHBondContact OG1-N 3.48Å; T979-E981 PolarHBondContact OG1-O 2.89Å; T979-P984 HydrophobicContact CG2-CB 3.67Å; T979-P984 HydrophobicContact CG2-CG 4.41Å; T979-P984 WeakPolarHBondContact OG1-CB 3.44Å
980G75Confident78.4Confident47 Ų4732 Ų3249%0.48520%0.198SC..SBendtrans84.21.9-170.200000114.6V976V976-G980 VanDerWaalsContact CG1-CA 3.49Å; V976-G980 WeakPolarHBondContact CG1-O 3.21Å
981E75.1Confident77.6Confident115 Ų11533.6 Ų33.654%0.53721%0.206SC..SBendtrans-132147.5175-73.1-70.4156.500111.5T979T979-E981 VanDerWaalsContact C-N 3.32Å; T979-E981 PolarHBondContact OG1-N 3.48Å; T979-E981 PolarHBondContact OG1-O 2.89Å
982P78.4Confident76Confident26 Ų2635.1 Ų35.117%0.16922%0.215CC..SBendtrans-74.9144.6176.731.5-34.4000111.7D973 V976D973-P982 WeakPolarHBondContact O-CA 3.27Å; V976-P982 HydrophobicContact CG2-CB 4.29Å
983Y82.8Confident73.8Confident24 Ų2437.1 Ų37.19%0.09423%0.229CC..SBendtrans55.457.9-177.7-52.8-84.4000113.4I654 L969 D972 D973 D974 M985 L986 S987I654-Y983 HydrophobicContact CD1-CE1 4.09Å; I654-Y983 HydrophobicContact CD1-CE2 4.1Å; L969-Y983 HydrophobicContact CD1-CD1 3.73Å; L969-Y983 HydrophobicContact CD1-CE1 4.14Å; L969-Y983 HydrophobicContact CG-CD1 4.27Å; L969-Y983 HydrophobicContact CG-CE1 4.16Å; D972-Y983 HydrophobicContact CB-CD1 4.01Å; D972-Y983 VanDerWaalsContact OD2-C 3.27Å; D972-Y983 VanDerWaalsContact OD2-CA 3.22Å; D972-Y983 WeakPolarHBondContact OD2-CA 3.35Å; D973-Y983 PolarHBondContact O-N 2.81Å; D974-Y983 HydrophobicContact CB-CE1 3.92Å; D974-Y983 HydrophobicContact CB-CE2 4Å; Y983-M985 PolarHBondContact O-N 3.24Å; Y983-L986 PolarHBondContact O-N 2.79Å; Y983-S987 WeakPolarHBondContact O-CB 3.38Å; Y983-S987 PolarHBondContact O-N 2.73Å; Y983-S987 PolarHBondContact O-OG 2.95Å
984P84.1Confident71.3Confident6 Ų651.8 Ų51.84%0.03928%0.284CS..Hα-helixtrans-64.8-37.1-177.225.4-34.1000113.2P940 D972 D973 C978 T979 S987 A988P940-P984 HydrophobicContact CG-CB 4.37Å; D972-P984 WeakPolarHBondContact OD1-CD 3.33Å; D973-P984 HydrophobicContact CB-CG 4.02Å; D973-P984 VanDerWaalsContact O-CD 3.28Å; D973-P984 WeakPolarHBondContact O-CD 2.95Å; C978-P984 HydrophobicContact CB-CG 4.08Å; T979-P984 HydrophobicContact CG2-CB 3.67Å; T979-P984 HydrophobicContact CG2-CG 4.41Å; T979-P984 WeakPolarHBondContact OG1-CB 3.44Å; P984-S987 PolarHBondContact O-N 2.73Å; P984-A988 PolarHBondContact O-N 3.08Å
985M84.8Confident71.1Confident2 Ų252 Ų521%0.0129%0.285CS..Hα-helixtrans-67.9-45.4178.2-62.5-54.698.500110.9L865 M903 E938 S939 P940 M943 D972 Y983 S987 A988 A989L865-M985 HydrophobicContact CD2-CB 3.33Å; L865-M985 HydrophobicContact CD2-CG 3.61Å; M903-M985 HydrophobicContact CG-CG 4.07Å; E938-M985 HydrophobicContact CB-SD 4.21Å; S939-M985 VanDerWaalsContact C-SD 3.56Å; P940-M985 HydrophobicContact CB-CE 4.06Å; P940-M985 HydrophobicContact CG-CE 3.46Å; P940-M985 VanDerWaalsContact CG-CE 3.46Å; M943-M985 HydrophobicContact CB-SD 4.22Å; M943-M985 HydrophobicContact CE-CB 4.23Å; M943-M985 HydrophobicContact CE-CG 4.45Å; M943-M985 HydrophobicContact CE-SD 4.25Å; M943-M985 HydrophobicContact CG-CB 4.46Å; M943-M985 WeakPolarHBondContact CG-O 3.38Å; D972-M985 WeakPolarHBondContact OD1-CG 3.41Å; D972-M985 PolarHBondContact OD1-N 2.91Å; D972-M985 PolarHBondContact OD2-N 2.87Å; Y983-M985 PolarHBondContact O-N 3.24Å; M985-S987 VanDerWaalsContact C-N 3.26Å; M985-S987 PolarHBondContact O-N 2.91Å; M985-A988 PolarHBondContact O-N 2.76Å; M985-A989 WeakPolarHBondContact O-CB 3.45Å; M985-A989 PolarHBondContact O-N 2.9Å
986L85.1Confident71.3Confident1 Ų153.2 Ų53.21%0.00529%0.285CS..Hα-helixtrans-56.9-44.8174.1174.660000111V634 I654 K657 L966 L969 D972 Y983 A988 A989 S990V634-L986 HydrophobicContact CG1-CD1 4.28Å; I654-L986 HydrophobicContact CG1-CD2 3.86Å; K657-L986 HydrophobicContact CB-CD1 4.07Å; K657-L986 HydrophobicContact CB-CD2 4.08Å; K657-L986 HydrophobicContact CB-CG 4.01Å; K657-L986 HydrophobicContact CD-CD2 4.22Å; K657-L986 HydrophobicContact CD-CG 4.07Å; L966-L986 HydrophobicContact CD1-CB 4.07Å; L966-L986 HydrophobicContact CD1-CD1 3.69Å; L969-L986 HydrophobicContact CD1-CB 4.24Å; L969-L986 HydrophobicContact CD1-CD2 3.96Å; D972-L986 PolarHBondContact OD2-N 3.41Å; Y983-L986 PolarHBondContact O-N 2.79Å; L986-A988 VanDerWaalsContact C-N 3.31Å; L986-A988 PolarHBondContact O-N 2.93Å; L986-A989 PolarHBondContact O-N 3.48Å; L986-S990 WeakPolarHBondContact O-CB 3.35Å; L986-S990 PolarHBondContact O-N 2.94Å; L986-S990 PolarHBondContact O-OG 2.85Å
987S81.3Confident71.2Confident28 Ų2852.4 Ų52.420%0.19628%0.278CS..Hα-helixtrans-60.1-41179-57.60000112.5K657 Y983 P984 M985 L991K657-S987 PolarHBondContact NZ-OG 3.42Å; Y983-S987 WeakPolarHBondContact O-CB 3.38Å; Y983-S987 PolarHBondContact O-N 2.73Å; Y983-S987 PolarHBondContact O-OG 2.95Å; P984-S987 PolarHBondContact O-N 2.73Å; M985-S987 VanDerWaalsContact C-N 3.26Å; M985-S987 PolarHBondContact O-N 2.91Å; S987-L991 WeakPolarHBondContact O-CB 3.48Å; S987-L991 PolarHBondContact O-N 2.85Å; S987-L991 VanDerWaalsContact O-N 3.16Å
988A77Confident70.8Confident7 Ų753.1 Ų53.16%0.05828%0.28CS..Hα-helixtrans-65.9-47.5175.500000111.8P940 M943 L944 S948 P984 M985 L986 S990 L991P940-A988 HydrophobicContact CB-CB 4.31Å; P940-A988 WeakPolarHBondContact O-CB 3.42Å; M943-A988 HydrophobicContact CB-CB 3.89Å; M943-A988 HydrophobicContact CG-CB 3.86Å; L944-A988 HydrophobicContact CD2-CB 4.12Å; L944-A988 WeakPolarHBondContact CD2-O 3.48Å; L944-A988 HydrophobicContact CG-CB 3.98Å; S948-A988 WeakPolarHBondContact CB-O 3.37Å; S948-A988 PolarHBondContact OG-O 3.11Å; P984-A988 PolarHBondContact O-N 3.08Å; M985-A988 PolarHBondContact O-N 2.76Å; L986-A988 VanDerWaalsContact C-N 3.31Å; L986-A988 PolarHBondContact O-N 2.93Å; A988-S990 PolarHBondContact O-N 3.35Å; A988-L991 WeakPolarHBondContact O-CB 3.19Å; A988-L991 PolarHBondContact O-N 3.07Å
989A76.7Confident70.8Confident0 Ų054.3 Ų54.30%028%0.283CS..Hα-helixtrans-66-36.6179.900000113.1M943 A947 L966 M985 L986M943-A989 HydrophobicContact CG-CB 3.97Å; M943-A989 HydrophobicContact SD-CB 4.08Å; A947-A989 HydrophobicContact CB-CB 3.68Å; L966-A989 HydrophobicContact CD1-CB 3.99Å; L966-A989 HydrophobicContact CD2-CB 3.87Å; L966-A989 HydrophobicContact CG-CB 4.34Å; M985-A989 WeakPolarHBondContact O-CB 3.45Å; M985-A989 PolarHBondContact O-N 2.9Å; L986-A989 PolarHBondContact O-N 3.48Å
990S74.4Confident70.9Confident21 Ų2153.2 Ų53.215%0.14727%0.273CS..THydrogen-bonded Turntrans-91.94.7-177.980.90000113.8K657 L986 A988 D992K657-S990 WeakPolarHBondContact CB-OG 3.34Å; K657-S990 WeakPolarHBondContact CD-OG 3.46Å; K657-S990 VanDerWaalsContact CG-OG 3.26Å; K657-S990 WeakPolarHBondContact CG-OG 3.47Å; K657-S990 WeakPolarHBondContact O-CB 3.38Å; L986-S990 WeakPolarHBondContact O-CB 3.35Å; L986-S990 PolarHBondContact O-N 2.94Å; L986-S990 PolarHBondContact O-OG 2.85Å; A988-S990 PolarHBondContact O-N 3.35Å; S990-D992 PolarHBondContact O-N 2.83Å
991L64.9Low70.6Confident87 Ų8753.6 Ų53.646%0.45526%0.258SS..  trans-6786.2-178.6-165.380.9000108.1L944 S948 G949 S950 S987 A988L944-L991 HydrophobicContact CD2-CB 4.33Å; L944-L991 HydrophobicContact CD2-CD2 3.76Å; S948-L991 WeakPolarHBondContact OG-CB 3.28Å; S948-L991 PolarHBondContact OG-O 3.19Å; G949-L991 CarbonylContact C-O 3.51Å; G949-L991 WeakPolarHBondContact CA-O 3.44Å; G949-L991 PolarHBondContact N-O 2.68Å; G949-L991 VanDerWaalsContact N-O 3.09Å; S950-L991 PolarHBondContact N-O 2.95Å; S987-L991 WeakPolarHBondContact O-CB 3.48Å; S987-L991 PolarHBondContact O-N 2.85Å; S987-L991 VanDerWaalsContact O-N 3.16Å; A988-L991 WeakPolarHBondContact O-CB 3.19Å; A988-L991 PolarHBondContact O-N 3.07Å
992D52.3Low70.3Confident83 Ų8348.9 Ų48.944%0.44424%0.236SC..  trans-85.8153.2-175.6-144.5-2.9000110.6R957 S990 R994R957-D992 IonicContact CZ-OD1 2.65Å; R957-D992 IonicContact NH1-OD1 3.44Å; R957-D992 IonicContact NH2-OD1 2.62Å; R957-D992 PolarHBondContact NH2-OD1 2.95Å; S990-D992 PolarHBondContact O-N 2.83Å; D992-R994 PolarHBondContact O-N 3.11Å
993C41.1Very low69.6Low44 Ų4450.8 Ų50.830%0.29724%0.242SC..  trans-58.7108.9174.5-23.70000109.4C618 G949 R954 R957C618-C993 HydrophobicContact CB-CB 3.77Å; C618-C993 WeakPolarHBondContact CB-SG 3.32Å; C618-C993 WeakPolarHBondContact SG-CB 3.22Å; C618-C993 CovalentContact SG-SG 2.01Å; C618-C993 PolarHBondContact SG-SG 3.26Å; G949-C993 PolarHBondContact O-N 3.35Å; G949-C993 VanDerWaalsContact O-N 3.11Å; G949-C993 PolarHBondContact O-SG 3.12Å; R954-C993 PolarHBondContact NH2-SG 2.92Å; R957-C993 PolarHBondContact NH1-SG 3.43Å
994R30.4Very low68.4Low307 Ų30753.3 Ų53.3100%1.15826%0.255SS*.  trans-97.80157.7-69.7-169.8-168.7-171.13.4108.7D992D992-R994 PolarHBondContact O-N 3.11Å

Retrieved 994 of 994 residues in 2001 ms (Link to these results)

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