A0A077ZM26_TRITR Loading...

2-Hacid dh C and DUF1189 domain containing protei n

AlphaFold DB , UniProt , Accession A0A077ZM26, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 425 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
1M51.5Low58Low105 Ų10585 Ų8552%0.51740%0.398SS..  0123.50-112.2-166.6-107.700110.2Q5 L6 D16M1-Q5 VanDerWaalsContact CA-OE1 3.25Å; M1-Q5 HydrophobicContact CG-CB 3.85Å; M1-Q5 HydrophobicContact SD-CB 4.43Å; M1-L6 HydrophobicContact CB-CD2 4Å; M1-L6 HydrophobicContact CB-CG 4.13Å; M1-L6 HydrophobicContact CG-CD2 4.44Å; M1-L6 HydrophobicContact SD-CD2 3.65Å; M1-L6 HydrophobicContact SD-CG 4.21Å; M1-D16 HydrophobicContact CE-CB 4.1Å
2T68.7Low58Low83 Ų8387.3 Ų87.351%0.50941%0.413SS..  trans-77.4161.4172.8640000111.1R4 Q5 L6T2-R4 VanDerWaalsContact C-N 3.26Å; T2-R4 PolarHBondContact O-N 2.96Å; T2-Q5 WeakPolarHBondContact O-CB 3.41Å; T2-Q5 PolarHBondContact O-N 3.15Å; T2-Q5 VanDerWaalsContact OG1-CG 3.29Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.42Å; T2-Q5 PolarHBondContact OG1-N 2.96Å; T2-Q5 PolarHBondContact OG1-OE1 3.45Å; T2-L6 WeakPolarHBondContact O-CG 3.47Å; T2-L6 PolarHBondContact O-N 3.4Å
3F57Low57.9Low125 Ų12593.1 Ų93.155%0.54843%0.428SS..Hα-helixtrans-51.7-43.4177.5-177.3-105.8000112.8Q5 L6 I7 W26 V30F3-Q5 PolarHBondContact O-N 2.79Å; F3-L6 WeakPolarHBondContact O-CB 3.24Å; F3-L6 PolarHBondContact O-N 3.24Å; F3-I7 HydrophobicContact CD1-CD1 3.93Å; F3-I7 HydrophobicContact CE1-CD1 3.41Å; F3-I7 VanDerWaalsContact CE1-CD1 3.41Å; F3-I7 HydrophobicContact CE1-CG1 4.48Å; F3-I7 HydrophobicContact CE2-CD1 4.42Å; F3-I7 HydrophobicContact CZ-CD1 3.69Å; F3-I7 PolarHBondContact O-N 3.46Å; F3-I7 VanDerWaalsContact O-N 3.13Å; F3-W26 HydrophobicContact CD2-CZ3 4.48Å; F3-V30 HydrophobicContact CE2-CG1 4.28Å
4R63.6Low57.1Low213 Ų21390.8 Ų90.880%0.80442%0.417SS*.Hα-helixtrans-65-36.8176.6-168.2177.3-178.7-175.91.1112.9T2 K8T2-R4 VanDerWaalsContact C-N 3.26Å; T2-R4 PolarHBondContact O-N 2.96Å; R4-K8 WeakPolarHBondContact O-CB 3.47Å; R4-K8 PolarHBondContact O-N 3.27Å
5Q61.4Low56.5Low106 Ų10695.2 Ų95.250%0.49544%0.438SS..Hα-helixtrans-70.3-34175.3-72.2170.3-21.600111.8M1 T2 F3 K8 G9M1-Q5 VanDerWaalsContact CA-OE1 3.25Å; M1-Q5 HydrophobicContact CG-CB 3.85Å; M1-Q5 HydrophobicContact SD-CB 4.43Å; T2-Q5 WeakPolarHBondContact O-CB 3.41Å; T2-Q5 PolarHBondContact O-N 3.15Å; T2-Q5 VanDerWaalsContact OG1-CG 3.29Å; T2-Q5 WeakPolarHBondContact OG1-CG 3.42Å; T2-Q5 PolarHBondContact OG1-N 2.96Å; T2-Q5 PolarHBondContact OG1-OE1 3.45Å; F3-Q5 PolarHBondContact O-N 2.79Å; Q5-K8 PolarHBondContact O-N 2.63Å; Q5-G9 PolarHBondContact O-N 3.3Å
6L52.9Low56.2Low1 Ų192.8 Ų92.81%0.00543%0.43CS..Hα-helixtrans-64.6-48.5176-69.1164.4000111.3M1 T2 F3 K8 G9 S10 W26 K27 Y31M1-L6 HydrophobicContact CB-CD2 4Å; M1-L6 HydrophobicContact CB-CG 4.13Å; M1-L6 HydrophobicContact CG-CD2 4.44Å; M1-L6 HydrophobicContact SD-CD2 3.65Å; M1-L6 HydrophobicContact SD-CG 4.21Å; T2-L6 WeakPolarHBondContact O-CG 3.47Å; T2-L6 PolarHBondContact O-N 3.4Å; F3-L6 WeakPolarHBondContact O-CB 3.24Å; F3-L6 PolarHBondContact O-N 3.24Å; L6-K8 PolarHBondContact O-N 2.68Å; L6-G9 PolarHBondContact O-N 3.43Å; L6-S10 PolarHBondContact O-N 3.5Å; L6-W26 HydrophobicContact CD1-CH2 3.89Å; L6-W26 HydrophobicContact CD1-CZ3 4.21Å; L6-K27 HydrophobicContact CD1-CB 4.15Å; L6-K27 HydrophobicContact CD1-CD 3.72Å; L6-K27 HydrophobicContact CD1-CG 3.64Å; L6-K27 HydrophobicContact CD2-CB 4.16Å; L6-K27 HydrophobicContact CD2-CD 3.94Å; L6-K27 HydrophobicContact CD2-CG 4.29Å; L6-K27 HydrophobicContact CG-CD 4.49Å; L6-Y31 HydrophobicContact CD2-CE2 3.47Å; L6-Y31 VanDerWaalsContact CD2-CE2 3.47Å; L6-Y31 VanDerWaalsContact CD2-OH 3.3Å; L6-Y31 WeakPolarHBondContact CD2-OH 3.23Å; L6-Y31 WeakPolarHBondContact O-CE1 3.41Å
7I57.1Low55.7Low68 Ų6888.1 Ų88.135%0.34941%0.408SS..Hα-helixtrans-61.4-43.9175.2-65.6172.6000111.1F3 G9 S10 L11F3-I7 HydrophobicContact CD1-CD1 3.93Å; F3-I7 HydrophobicContact CE1-CD1 3.41Å; F3-I7 VanDerWaalsContact CE1-CD1 3.41Å; F3-I7 HydrophobicContact CE1-CG1 4.48Å; F3-I7 HydrophobicContact CE2-CD1 4.42Å; F3-I7 HydrophobicContact CZ-CD1 3.69Å; F3-I7 PolarHBondContact O-N 3.46Å; F3-I7 VanDerWaalsContact O-N 3.13Å; I7-G9 VanDerWaalsContact C-N 3.31Å; I7-G9 PolarHBondContact O-N 3.23Å; I7-S10 PolarHBondContact O-N 3.03Å; I7-S10 PolarHBondContact O-OG 3.19Å; I7-L11 HydrophobicContact CG2-CD1 4.14Å; I7-L11 WeakPolarHBondContact O-CG 3.4Å; I7-L11 PolarHBondContact O-N 2.86Å
8K60.4Low55.2Low136 Ų13693.3 Ų93.359%0.59143%0.429SS*.Hα-helixtrans-66.5-37.6178.3-166176.8-179.2-179.20111.5R4 Q5 L6 L11 I12R4-K8 WeakPolarHBondContact O-CB 3.47Å; R4-K8 PolarHBondContact O-N 3.27Å; Q5-K8 PolarHBondContact O-N 2.63Å; L6-K8 PolarHBondContact O-N 2.68Å; K8-L11 PolarHBondContact O-N 2.94Å; K8-I12 HydrophobicContact CG-CD1 4.15Å; K8-I12 WeakPolarHBondContact O-CB 3.31Å; K8-I12 PolarHBondContact O-N 2.78Å
9G58Low55Low4 Ų492.1 Ų92.14%0.04143%0.432CS..Hα-helixtrans-65.2-39.4175.500000112.4Q5 L6 I7 L11 R13Q5-G9 PolarHBondContact O-N 3.3Å; L6-G9 PolarHBondContact O-N 3.43Å; I7-G9 VanDerWaalsContact C-N 3.31Å; I7-G9 PolarHBondContact O-N 3.23Å; G9-L11 PolarHBondContact O-N 2.94Å; G9-R13 CarbonylContact O-C 3.59Å; G9-R13 PolarHBondContact O-N 3.04Å
10S52.1Low54.8Low14 Ų1488 Ų8810%0.09842%0.415CS..Hα-helixtrans-66.4-26.2178.272.80000112.9L6 I7 F14L6-S10 PolarHBondContact O-N 3.5Å; I7-S10 PolarHBondContact O-N 3.03Å; I7-S10 PolarHBondContact O-OG 3.19Å; S10-F14 WeakPolarHBondContact O-CE1 3.29Å
11L55.7Low54.5Low80 Ų8089.6 Ų89.642%0.41942%0.421SS..Hα-helixtrans-95.1-30.8-179.1-65.1173.8000113.4I7 K8 G9 F14 L38I7-L11 HydrophobicContact CG2-CD1 4.14Å; I7-L11 WeakPolarHBondContact O-CG 3.4Å; I7-L11 PolarHBondContact O-N 2.86Å; K8-L11 PolarHBondContact O-N 2.94Å; G9-L11 PolarHBondContact O-N 2.94Å; L11-F14 WeakPolarHBondContact O-CZ 3.29Å; L11-L38 HydrophobicContact CD2-CD1 3.78Å; L11-L38 HydrophobicContact CD2-CD2 4.12Å; L11-L38 HydrophobicContact CD2-CG 4.11Å
12I58.3Low55Low113 Ų11391 Ų9158%0.57943%0.431SS*.Hα-helixtrans-135.2-27.4-163.4-49.2176.5000114.1K8K8-I12 HydrophobicContact CG-CD1 4.15Å; K8-I12 WeakPolarHBondContact O-CB 3.31Å; K8-I12 PolarHBondContact O-N 2.78Å
13R55.8Low54.6Low162 Ų16288.6 Ų88.661%0.61142%0.415SS*.  trans-117.172-172.6-67.4-172.4148.5-155.8-5.7113G9 E15 D16G9-R13 CarbonylContact O-C 3.59Å; G9-R13 PolarHBondContact O-N 3.04Å; R13-E15 VanDerWaalsContact C-N 3.26Å; R13-E15 PolarHBondContact O-N 3.02Å; R13-D16 WeakPolarHBondContact CB-OD2 3.3Å; R13-D16 PolarHBondContact O-N 2.93Å
14F47.4Very low55.2Low61 Ų6185.5 Ų85.527%0.26841%0.408SS..G310 helixtrans-66.4-21.8-178.2-55.2-57.6000114.7S10 L11 D16 L17 V409S10-F14 WeakPolarHBondContact O-CE1 3.29Å; L11-F14 WeakPolarHBondContact O-CZ 3.29Å; F14-D16 VanDerWaalsContact C-N 3.27Å; F14-D16 PolarHBondContact O-N 2.7Å; F14-L17 HydrophobicContact CB-CD1 4.33Å; F14-L17 HydrophobicContact CD1-CD1 4.39Å; F14-L17 WeakPolarHBondContact O-CB 3.42Å; F14-L17 WeakPolarHBondContact O-CD1 3.27Å; F14-L17 VanDerWaalsContact O-CG 3.28Å; F14-L17 WeakPolarHBondContact O-CG 3.47Å; F14-L17 PolarHBondContact O-N 3.28Å; F14-V409 HydrophobicContact CD1-CB 4.07Å; F14-V409 HydrophobicContact CD1-CG1 3.29Å; F14-V409 HydrophobicContact CE1-CB 4.14Å; F14-V409 HydrophobicContact CE1-CG1 2.93Å; F14-V409 HydrophobicContact CE2-CG1 4.38Å; F14-V409 HydrophobicContact CG-CG1 4.21Å; F14-V409 HydrophobicContact CZ-CG1 3.52Å
15E47.2Very low55.5Low157 Ų15783 Ų8373%0.73440%0.403SS*.G310 helixtrans-67.2-29.3177.5-64.5-172157.600113.1R13 L17 K18R13-E15 VanDerWaalsContact C-N 3.26Å; R13-E15 PolarHBondContact O-N 3.02Å; E15-L17 PolarHBondContact O-N 2.81Å; E15-L17 VanDerWaalsContact O-N 3.09Å; E15-K18 WeakPolarHBondContact O-CB 3.46Å; E15-K18 PolarHBondContact O-N 2.64Å; E15-K18 VanDerWaalsContact O-N 3.1Å
16D51.8Low55.9Low57 Ų5784.2 Ų84.231%0.30540%0.403SS..G310 helixtrans-64.2-15.2177.1-65.3-20.8000111.6M1 R13 F14 K18 S19M1-D16 HydrophobicContact CE-CB 4.1Å; R13-D16 WeakPolarHBondContact CB-OD2 3.3Å; R13-D16 PolarHBondContact O-N 2.93Å; F14-D16 VanDerWaalsContact C-N 3.27Å; F14-D16 PolarHBondContact O-N 2.7Å; D16-K18 PolarHBondContact O-N 2.79Å; D16-S19 PolarHBondContact O-N 2.82Å; D16-S19 VanDerWaalsContact O-N 3.15Å
17L47.4Very low56.7Low12 Ų1285.8 Ų85.86%0.06341%0.41CS..G310 helixtrans-64.9-21.7173.9-65.7171.6000113.3F14 E15 S19 A20 L405 K406F14-L17 HydrophobicContact CB-CD1 4.33Å; F14-L17 HydrophobicContact CD1-CD1 4.39Å; F14-L17 WeakPolarHBondContact O-CB 3.42Å; F14-L17 WeakPolarHBondContact O-CD1 3.27Å; F14-L17 VanDerWaalsContact O-CG 3.28Å; F14-L17 WeakPolarHBondContact O-CG 3.47Å; F14-L17 PolarHBondContact O-N 3.28Å; E15-L17 PolarHBondContact O-N 2.81Å; E15-L17 VanDerWaalsContact O-N 3.09Å; L17-S19 PolarHBondContact O-N 2.84Å; L17-A20 WeakPolarHBondContact O-CB 3.45Å; L17-A20 PolarHBondContact O-N 2.76Å; L17-L405 HydrophobicContact CD1-CG 4.37Å; L17-L405 HydrophobicContact CD2-CD2 3.94Å; L17-K406 HydrophobicContact CD1-CB 4.35Å
18K46.9Very low57.3Low182 Ų18283.9 Ų83.979%0.79140%0.403SS*.G310 helixtrans-62.1-28.7174.4-165177.2179.2-177.20111.4E15 D16E15-K18 WeakPolarHBondContact O-CB 3.46Å; E15-K18 PolarHBondContact O-N 2.64Å; E15-K18 VanDerWaalsContact O-N 3.1Å; D16-K18 PolarHBondContact O-N 2.79Å
19S51.5Low58Low70 Ų7080.2 Ų80.249%0.4939%0.389SS..G310 helixtrans-92.13.5176-48.80000113D16 L17 K21 D22 T23D16-S19 PolarHBondContact O-N 2.82Å; D16-S19 VanDerWaalsContact O-N 3.15Å; L17-S19 PolarHBondContact O-N 2.84Å; S19-K21 PolarHBondContact O-N 3.08Å; S19-K21 VanDerWaalsContact O-N 3.12Å; S19-D22 PolarHBondContact O-N 3.4Å; S19-T23 PolarHBondContact O-OG1 2.87Å
20A51.5Low59Low10 Ų1081.5 Ų81.58%0.08340%0.396CS..G310 helixtrans-63.2-18.8179.500000113L17 D22 T23 L402L17-A20 WeakPolarHBondContact O-CB 3.45Å; L17-A20 PolarHBondContact O-N 2.76Å; A20-D22 PolarHBondContact O-N 2.95Å; A20-T23 WeakPolarHBondContact CA-OG1 3.38Å; A20-T23 WeakPolarHBondContact O-CB 3.39Å; A20-T23 PolarHBondContact O-N 2.89Å; A20-T23 VanDerWaalsContact O-N 3.09Å; A20-T23 PolarHBondContact O-OG1 2.96Å; A20-L402 HydrophobicContact CB-CD1 4.4Å; A20-L402 HydrophobicContact CB-CD2 3.49Å; A20-L402 VanDerWaalsContact CB-CD2 3.49Å
21K48.3Very low60Low122 Ų12282 Ų8253%0.5340%0.396SS..G310 helixtrans-56.2-37.5170.8-172.8-177.3178.3-177.70112.7S19 T23 N395 L402S19-K21 PolarHBondContact O-N 3.08Å; S19-K21 VanDerWaalsContact O-N 3.12Å; K21-T23 PolarHBondContact O-N 2.94Å; K21-N395 WeakPolarHBondContact CE-OD1 3.4Å; K21-N395 PolarHBondContact NZ-OD1 3.22Å; K21-L402 HydrophobicContact CB-CD1 4.05Å
22D61.4Low61Low136 Ų13678.8 Ų78.873%0.72738%0.379SS*.G310 helixtrans-90.19.9-178.6-55.6-41.9000112.2S19 A20S19-D22 PolarHBondContact O-N 3.4Å; A20-D22 PolarHBondContact O-N 2.95Å
23T61.6Low62.2Low31 Ų3176.7 Ų76.719%0.1937%0.369CS..SBendtrans-96.4126.4-172-56.10000110.2S19 A20 K21 F25 K27S19-T23 PolarHBondContact O-OG1 2.87Å; A20-T23 WeakPolarHBondContact CA-OG1 3.38Å; A20-T23 WeakPolarHBondContact O-CB 3.39Å; A20-T23 PolarHBondContact O-N 2.89Å; A20-T23 VanDerWaalsContact O-N 3.09Å; A20-T23 PolarHBondContact O-OG1 2.96Å; K21-T23 PolarHBondContact O-N 2.94Å; T23-F25 PolarHBondContact O-N 3.08Å; T23-K27 HydrophobicContact CG2-CB 3.44Å; T23-K27 VanDerWaalsContact CG2-CB 3.44Å; T23-K27 HydrophobicContact CG2-CD 3.45Å; T23-K27 VanDerWaalsContact CG2-CD 3.45Å; T23-K27 HydrophobicContact CG2-CG 4.03Å
24P69.1Low63.5Low61 Ų6169.9 Ų69.940%0.39635%0.349SS..  trans-49.2137.3173.7-29.930.7000113.2W26 K27P24-W26 VanDerWaalsContact C-N 3.25Å; P24-W26 PolarHBondContact O-N 3.12Å; P24-K27 HydrophobicContact CB-CD 4.45Å; P24-K27 HydrophobicContact CG-CD 4.3Å; P24-K27 WeakPolarHBondContact O-CB 3.33Å; P24-K27 PolarHBondContact O-N 3.26Å
25F70.6Confident65Low160 Ų16067.6 Ų67.670%0.70234%0.339SS*.Hα-helixtrans-44.9-43.3-177176.2-108.5000114.6T23 K27 S28 I29T23-F25 PolarHBondContact O-N 3.08Å; F25-K27 PolarHBondContact O-N 3.18Å; F25-S28 WeakPolarHBondContact O-CB 3.44Å; F25-S28 PolarHBondContact O-N 3.13Å; F25-S28 VanDerWaalsContact O-N 3.07Å; F25-I29 HydrophobicContact CD1-CD1 3.89Å; F25-I29 HydrophobicContact CE1-CD1 3.35Å; F25-I29 HydrophobicContact CE1-CG1 4.22Å; F25-I29 HydrophobicContact CZ-CD1 3.71Å; F25-I29 HydrophobicContact CZ-CG1 4.2Å; F25-I29 PolarHBondContact O-N 3.34Å; F25-I29 VanDerWaalsContact O-N 3.15Å
26W69.3Low66.7Low132 Ų13260.1 Ų60.150%0.530%0.304SS..Hα-helixtrans-59.5-31.7179.775.4-98.8000113.2F3 L6 P24 I29 V30F3-W26 HydrophobicContact CD2-CZ3 4.48Å; L6-W26 HydrophobicContact CD1-CH2 3.89Å; L6-W26 HydrophobicContact CD1-CZ3 4.21Å; P24-W26 VanDerWaalsContact C-N 3.25Å; P24-W26 PolarHBondContact O-N 3.12Å; W26-I29 PolarHBondContact O-N 3.38Å; W26-V30 HydrophobicContact CE3-CG2 3.98Å; W26-V30 HydrophobicContact CZ3-CG2 4.11Å; W26-V30 WeakPolarHBondContact O-CG2 3.25Å; W26-V30 PolarHBondContact O-N 3.12Å; W26-V30 VanDerWaalsContact O-N 3.14Å
27K69.3Low68.3Low34 Ų3460.6 Ų60.615%0.14831%0.307CS..Hα-helixtrans-73.6-37.6178-61.1178175.7173.40110.6L6 T23 P24 F25 I29 V30 Y31L6-K27 HydrophobicContact CD1-CB 4.15Å; L6-K27 HydrophobicContact CD1-CD 3.72Å; L6-K27 HydrophobicContact CD1-CG 3.64Å; L6-K27 HydrophobicContact CD2-CB 4.16Å; L6-K27 HydrophobicContact CD2-CD 3.94Å; L6-K27 HydrophobicContact CD2-CG 4.29Å; L6-K27 HydrophobicContact CG-CD 4.49Å; T23-K27 HydrophobicContact CG2-CB 3.44Å; T23-K27 VanDerWaalsContact CG2-CB 3.44Å; T23-K27 HydrophobicContact CG2-CD 3.45Å; T23-K27 VanDerWaalsContact CG2-CD 3.45Å; T23-K27 HydrophobicContact CG2-CG 4.03Å; P24-K27 HydrophobicContact CB-CD 4.45Å; P24-K27 HydrophobicContact CG-CD 4.3Å; P24-K27 WeakPolarHBondContact O-CB 3.33Å; P24-K27 PolarHBondContact O-N 3.26Å; F25-K27 PolarHBondContact O-N 3.18Å; K27-I29 VanDerWaalsContact C-N 3.25Å; K27-I29 PolarHBondContact O-N 2.75Å; K27-V30 WeakPolarHBondContact O-CB 3.12Å; K27-V30 PolarHBondContact O-N 2.9Å; K27-V30 VanDerWaalsContact O-N 3.11Å; K27-Y31 WeakPolarHBondContact O-CD2 3.3Å; K27-Y31 PolarHBondContact O-N 2.86Å
28S69.2Low70Confident28 Ų2863.4 Ų63.420%0.19632%0.321CS..Hα-helixtrans-59.6-37.7172.9-54.60000111.5F25 Y31 L32F25-S28 WeakPolarHBondContact O-CB 3.44Å; F25-S28 PolarHBondContact O-N 3.13Å; F25-S28 VanDerWaalsContact O-N 3.07Å; S28-Y31 WeakPolarHBondContact O-CB 3.17Å; S28-Y31 PolarHBondContact O-N 2.82Å; S28-L32 WeakPolarHBondContact O-CG 3.3Å; S28-L32 PolarHBondContact O-N 2.98Å
29I76.7Confident71.6Confident58 Ų5856.4 Ų56.430%0.29729%0.293SS..Hα-helixtrans-62.5-47.1171.7-66171.4000111.1F25 W26 K27 Y31 L32 L33F25-I29 HydrophobicContact CD1-CD1 3.89Å; F25-I29 HydrophobicContact CE1-CD1 3.35Å; F25-I29 HydrophobicContact CE1-CG1 4.22Å; F25-I29 HydrophobicContact CZ-CD1 3.71Å; F25-I29 HydrophobicContact CZ-CG1 4.2Å; F25-I29 PolarHBondContact O-N 3.34Å; F25-I29 VanDerWaalsContact O-N 3.15Å; W26-I29 PolarHBondContact O-N 3.38Å; K27-I29 VanDerWaalsContact C-N 3.25Å; K27-I29 PolarHBondContact O-N 2.75Å; I29-Y31 VanDerWaalsContact C-N 3.25Å; I29-Y31 PolarHBondContact O-N 3.41Å; I29-L32 PolarHBondContact O-N 3.44Å; I29-L32 VanDerWaalsContact O-N 3.16Å; I29-L33 HydrophobicContact CG2-CD1 4.01Å; I29-L33 HydrophobicContact CG2-CG 4.32Å; I29-L33 WeakPolarHBondContact O-CG 3.48Å; I29-L33 PolarHBondContact O-N 2.97Å
30V78.3Confident73.3Confident32 Ų3253.1 Ų53.119%0.19427%0.269CS..Hα-helixtrans-59.4-38.9177.6173.50000111.4F3 W26 K27 L33 G34F3-V30 HydrophobicContact CE2-CG1 4.28Å; W26-V30 HydrophobicContact CE3-CG2 3.98Å; W26-V30 HydrophobicContact CZ3-CG2 4.11Å; W26-V30 WeakPolarHBondContact O-CG2 3.25Å; W26-V30 PolarHBondContact O-N 3.12Å; W26-V30 VanDerWaalsContact O-N 3.14Å; K27-V30 WeakPolarHBondContact O-CB 3.12Å; K27-V30 PolarHBondContact O-N 2.9Å; K27-V30 VanDerWaalsContact O-N 3.11Å; V30-L33 PolarHBondContact O-N 3.38Å; V30-G34 PolarHBondContact O-N 3.35Å
31Y73.4Confident75Confident24 Ų2456.9 Ų56.99%0.09429%0.287CS..Hα-helixtrans-61.9-48.8173.6-81.7-71.1000112.3L6 K27 S28 I29 L33 G34 L35L6-Y31 HydrophobicContact CD2-CE2 3.47Å; L6-Y31 VanDerWaalsContact CD2-CE2 3.47Å; L6-Y31 VanDerWaalsContact CD2-OH 3.3Å; L6-Y31 WeakPolarHBondContact CD2-OH 3.23Å; L6-Y31 WeakPolarHBondContact O-CE1 3.41Å; K27-Y31 WeakPolarHBondContact O-CD2 3.3Å; K27-Y31 PolarHBondContact O-N 2.86Å; S28-Y31 WeakPolarHBondContact O-CB 3.17Å; S28-Y31 PolarHBondContact O-N 2.82Å; I29-Y31 VanDerWaalsContact C-N 3.25Å; I29-Y31 PolarHBondContact O-N 3.41Å; Y31-L33 VanDerWaalsContact C-N 3.33Å; Y31-L33 PolarHBondContact O-N 3.15Å; Y31-G34 PolarHBondContact O-N 2.87Å; Y31-L35 PolarHBondContact O-N 3.12Å
32L76.7Confident76.7Confident13 Ų1354.3 Ų54.37%0.06828%0.283CS..Hα-helixtrans-59.6-44.9177.3-73.2173.8000110.9S28 I29 G34 L35 S36 F187 L190 F191 L194 F401S28-L32 WeakPolarHBondContact O-CG 3.3Å; S28-L32 PolarHBondContact O-N 2.98Å; I29-L32 PolarHBondContact O-N 3.44Å; I29-L32 VanDerWaalsContact O-N 3.16Å; L32-G34 PolarHBondContact O-N 2.91Å; L32-L35 PolarHBondContact O-N 3.16Å; L32-S36 WeakPolarHBondContact O-CB 3.49Å; L32-S36 PolarHBondContact O-N 3.4Å; L32-S36 PolarHBondContact O-OG 2.93Å; L32-F187 HydrophobicContact CB-CD2 4.13Å; L32-F187 HydrophobicContact CB-CE2 3.57Å; L32-F187 HydrophobicContact CD1-CE2 4.41Å; L32-L190 HydrophobicContact CD2-CD2 3.75Å; L32-L190 HydrophobicContact CD2-CG 4.13Å; L32-F191 HydrophobicContact CD1-CD2 3.98Å; L32-L194 HydrophobicContact CD2-CD1 3.61Å; L32-F401 HydrophobicContact CD2-CZ 4.47Å
33L83.4Confident77.6Confident69 Ų6950.9 Ų50.936%0.36127%0.27SS..Hα-helixtrans-58.8-44.4175.3-71.8171.3000112.4I29 V30 Y31 S36 L37 L183 F187I29-L33 HydrophobicContact CG2-CD1 4.01Å; I29-L33 HydrophobicContact CG2-CG 4.32Å; I29-L33 WeakPolarHBondContact O-CG 3.48Å; I29-L33 PolarHBondContact O-N 2.97Å; V30-L33 PolarHBondContact O-N 3.38Å; Y31-L33 VanDerWaalsContact C-N 3.33Å; Y31-L33 PolarHBondContact O-N 3.15Å; L33-S36 PolarHBondContact O-N 2.8Å; L33-L37 PolarHBondContact O-N 2.92Å; L33-L183 HydrophobicContact CD2-CD2 4.49Å; L33-F187 HydrophobicContact CD2-CD2 3.75Å; L33-F187 HydrophobicContact CD2-CE2 3.96Å; L33-F187 HydrophobicContact CD2-CG 4.34Å; L33-F187 HydrophobicContact CG-CD2 4.24Å; L33-F187 HydrophobicContact CG-CE2 4.1Å
34G82.9Confident78.8Confident19 Ų1950.1 Ų50.120%0.19627%0.265CS..Hα-helixtrans-63.2-41.4176.800000112.8V30 Y31 L32 L37 L38V30-G34 PolarHBondContact O-N 3.35Å; Y31-G34 PolarHBondContact O-N 2.87Å; L32-G34 PolarHBondContact O-N 2.91Å; G34-L37 PolarHBondContact O-N 3.45Å; G34-L38 PolarHBondContact O-N 3.13Å
35L79.3Confident79.6Confident12 Ų1254.2 Ų54.26%0.06327%0.274CS..Hα-helixtrans-69.3-41.4176.8-171.660.4000111.6Y31 L32 L37 L38 L39 L190 L405 Y408 V409Y31-L35 PolarHBondContact O-N 3.12Å; L32-L35 PolarHBondContact O-N 3.16Å; L35-L37 VanDerWaalsContact C-N 3.26Å; L35-L37 PolarHBondContact O-N 3.38Å; L35-L38 HydrophobicContact CD1-CD1 4.48Å; L35-L38 WeakPolarHBondContact O-CB 3.24Å; L35-L38 PolarHBondContact O-N 3.2Å; L35-L38 VanDerWaalsContact O-N 3.1Å; L35-L39 HydrophobicContact CG-CD1 4.14Å; L35-L39 HydrophobicContact CG-CG 4.46Å; L35-L39 VanDerWaalsContact O-CG 3.32Å; L35-L39 WeakPolarHBondContact O-CG 3.45Å; L35-L39 PolarHBondContact O-N 3.42Å; L35-L190 HydrophobicContact CB-CD2 4.05Å; L35-L190 HydrophobicContact CD2-CD1 4.15Å; L35-L190 HydrophobicContact CD2-CD2 3.81Å; L35-L190 HydrophobicContact CG-CD2 4.03Å; L35-L405 HydrophobicContact CD2-CD1 3.89Å; L35-Y408 HydrophobicContact CD2-CD1 4.31Å; L35-V409 HydrophobicContact CD1-CB 4.32Å; L35-V409 HydrophobicContact CD1-CG1 3.98Å; L35-V409 HydrophobicContact CD1-CG2 3.75Å; L35-V409 HydrophobicContact CD2-CG2 3.44Å; L35-V409 VanDerWaalsContact CD2-CG2 3.44Å; L35-V409 HydrophobicContact CG-CG2 4.23Å
36S83.1Confident80.4Confident0 Ų052.6 Ų52.60%027%0.268CS..Hα-helixtrans-60.4-36.4175.4-60.90000112.3L32 L33 L39 A40 F187 L190L32-S36 WeakPolarHBondContact O-CB 3.49Å; L32-S36 PolarHBondContact O-N 3.4Å; L32-S36 PolarHBondContact O-OG 2.93Å; L33-S36 PolarHBondContact O-N 2.8Å; S36-L39 PolarHBondContact O-N 2.88Å; S36-A40 WeakPolarHBondContact O-CB 3.49Å; S36-A40 PolarHBondContact O-N 3.48Å; S36-F187 WeakPolarHBondContact OG-CA 3.36Å; S36-L190 WeakPolarHBondContact OG-CD2 3.4Å
37L85.1Confident81.2Confident68 Ų6847.9 Ų47.936%0.35626%0.258SS..Hα-helixtrans-62.8-42.5173.9-167.772000111.6L33 G34 L35 A40 L179 L183L33-L37 PolarHBondContact O-N 2.92Å; G34-L37 PolarHBondContact O-N 3.45Å; L35-L37 VanDerWaalsContact C-N 3.26Å; L35-L37 PolarHBondContact O-N 3.38Å; L37-A40 PolarHBondContact O-N 3.31Å; L37-L179 HydrophobicContact CD1-CD1 4.03Å; L37-L179 HydrophobicContact CD1-CD2 3.78Å; L37-L179 HydrophobicContact CD1-CG 3.65Å; L37-L179 HydrophobicContact CG-CD2 4.36Å; L37-L183 HydrophobicContact CB-CD1 4.14Å; L37-L183 HydrophobicContact CD1-CD1 4.31Å
38L83.4Confident82.1Confident70 Ų7048.7 Ų48.737%0.36626%0.263SS..Hα-helixtrans-65.4-40.6175.4-71175.3000112.2L11 G34 L35 A40 I41L11-L38 HydrophobicContact CD2-CD1 3.78Å; L11-L38 HydrophobicContact CD2-CD2 4.12Å; L11-L38 HydrophobicContact CD2-CG 4.11Å; G34-L38 PolarHBondContact O-N 3.13Å; L35-L38 HydrophobicContact CD1-CD1 4.48Å; L35-L38 WeakPolarHBondContact O-CB 3.24Å; L35-L38 PolarHBondContact O-N 3.2Å; L35-L38 VanDerWaalsContact O-N 3.1Å; L38-A40 VanDerWaalsContact C-N 3.27Å; L38-A40 PolarHBondContact O-N 3.05Å; L38-I41 HydrophobicContact CD2-CD1 4.11Å; L38-I41 PolarHBondContact O-N 3.27Å
39L80.2Confident83Confident36 Ų3652 Ų5219%0.18828%0.276CS..Hα-helixtrans-69.8-24.4178.5-66.1169.8000112.8L35 S36 I41 P42 L190 Y408L35-L39 HydrophobicContact CG-CD1 4.14Å; L35-L39 HydrophobicContact CG-CG 4.46Å; L35-L39 VanDerWaalsContact O-CG 3.32Å; L35-L39 WeakPolarHBondContact O-CG 3.45Å; L35-L39 PolarHBondContact O-N 3.42Å; S36-L39 PolarHBondContact O-N 2.88Å; L39-I41 VanDerWaalsContact C-N 3.33Å; L39-P42 WeakPolarHBondContact O-CD 3.33Å; L39-L190 HydrophobicContact CD1-CB 4.34Å; L39-L190 HydrophobicContact CD1-CD1 3.9Å; L39-L190 HydrophobicContact CD1-CD2 4.06Å; L39-L190 HydrophobicContact CD1-CG 4.32Å; L39-Y408 HydrophobicContact CD1-CE1 3.73Å; L39-Y408 HydrophobicContact CD2-CE1 3.92Å; L39-Y408 HydrophobicContact CG-CE1 4.45Å
40A85.8Confident83.4Confident0 Ų051.1 Ų51.10%027%0.273CS..Hα-helixtrans-73.8-22.9175.700000112.8S36 L37 L38 S43 V44 L179S36-A40 WeakPolarHBondContact O-CB 3.49Å; S36-A40 PolarHBondContact O-N 3.48Å; L37-A40 PolarHBondContact O-N 3.31Å; L38-A40 VanDerWaalsContact C-N 3.27Å; L38-A40 PolarHBondContact O-N 3.05Å; A40-S43 WeakPolarHBondContact O-CB 3.29Å; A40-S43 PolarHBondContact O-N 2.82Å; A40-S43 VanDerWaalsContact O-N 3.13Å; A40-V44 WeakPolarHBondContact O-CG2 3.47Å; A40-V44 PolarHBondContact O-N 2.84Å; A40-L179 HydrophobicContact CB-CD1 3.99Å
41I87.4Confident83.8Confident90 Ų9052.2 Ų52.246%0.46228%0.277SS..Hα-helixtrans-56.6-48.9-174.8-65.2170.3000112.8L38 L39 S43 V44 Y45 L179L38-I41 HydrophobicContact CD2-CD1 4.11Å; L38-I41 PolarHBondContact O-N 3.27Å; L39-I41 VanDerWaalsContact C-N 3.33Å; I41-S43 VanDerWaalsContact C-N 3.32Å; I41-S43 PolarHBondContact O-N 2.78Å; I41-V44 PolarHBondContact O-N 2.84Å; I41-Y45 PolarHBondContact O-N 2.86Å; I41-L179 HydrophobicContact CG1-CD1 4.14Å
42P84.1Confident84.4Confident67 Ų6755.6 Ų55.644%0.43530%0.296SS..Hα-helixtrans-61.2-38.8176.8-23.935.4000113.1L39 V44 Y45 Q46L39-P42 WeakPolarHBondContact O-CD 3.33Å; P42-V44 VanDerWaalsContact C-N 3.35Å; P42-Y45 WeakPolarHBondContact O-CB 3.43Å; P42-Y45 PolarHBondContact O-N 3.38Å; P42-Q46 WeakPolarHBondContact O-CB 3.16Å; P42-Q46 PolarHBondContact O-N 2.92Å
43S80.7Confident84.9Confident64 Ų6457.8 Ų57.845%0.44831%0.306SS..Hα-helixtrans-65.8-38.3176.5-57.10000111.9A40 I41 Q46 A47A40-S43 WeakPolarHBondContact O-CB 3.29Å; A40-S43 PolarHBondContact O-N 2.82Å; A40-S43 VanDerWaalsContact O-N 3.13Å; I41-S43 VanDerWaalsContact C-N 3.32Å; I41-S43 PolarHBondContact O-N 2.78Å; S43-Q46 PolarHBondContact O-N 3.2Å; S43-A47 WeakPolarHBondContact O-CB 3.28Å; S43-A47 PolarHBondContact O-N 2.63Å
44V86.3Confident85.1Confident16 Ų1655.8 Ų55.810%0.09730%0.296CS..Hα-helixtrans-64.1-43.8172.4174.40000110.6A40 I41 P42 Q46 A47 L48 M178 L179A40-V44 WeakPolarHBondContact O-CG2 3.47Å; A40-V44 PolarHBondContact O-N 2.84Å; I41-V44 PolarHBondContact O-N 2.84Å; P42-V44 VanDerWaalsContact C-N 3.35Å; V44-Q46 VanDerWaalsContact C-N 3.34Å; V44-Q46 PolarHBondContact O-N 3.14Å; V44-A47 PolarHBondContact O-N 2.86Å; V44-L48 HydrophobicContact CG1-CD1 4.16Å; V44-L48 HydrophobicContact CG1-CG 4.42Å; V44-L48 VanDerWaalsContact O-CG 3.3Å; V44-L48 WeakPolarHBondContact O-CG 3.29Å; V44-L48 PolarHBondContact O-N 3.5Å; V44-M178 HydrophobicContact CG1-CB 4.08Å; V44-M178 HydrophobicContact CG2-CB 4.23Å; V44-L179 VanDerWaalsContact CG2-CA 3.5Å; V44-L179 HydrophobicContact CG2-CB 4Å; V44-L179 HydrophobicContact CG2-CD1 3.9Å
45Y87.4Confident85.3Confident147 Ų14759.1 Ų59.158%0.57631%0.305SS*.Hα-helixtrans-60.2-44.6176.4-178.7-101.4000111.6I41 P42 A47 L48 Q49I41-Y45 PolarHBondContact O-N 2.86Å; P42-Y45 WeakPolarHBondContact O-CB 3.43Å; P42-Y45 PolarHBondContact O-N 3.38Å; Y45-A47 PolarHBondContact O-N 3.37Å; Y45-L48 PolarHBondContact O-N 2.81Å; Y45-Q49 HydrophobicContact CD1-CG 4.44Å; Y45-Q49 VanDerWaalsContact CE1-CD 3.48Å; Y45-Q49 HydrophobicContact CE1-CG 4.09Å; Y45-Q49 WeakPolarHBondContact O-CG 3.37Å; Y45-Q49 PolarHBondContact O-N 2.85Å; Y45-Q49 PolarHBondContact OH-NE2 3.09Å
46Q85.4Confident85.8Confident125 Ų12561.8 Ų61.858%0.58432%0.321SS*.Hα-helixtrans-61.5-43.1174.5-172176.77.700111.8P42 S43 V44 L48 Q49 V50P42-Q46 WeakPolarHBondContact O-CB 3.16Å; P42-Q46 PolarHBondContact O-N 2.92Å; S43-Q46 PolarHBondContact O-N 3.2Å; V44-Q46 VanDerWaalsContact C-N 3.34Å; V44-Q46 PolarHBondContact O-N 3.14Å; Q46-L48 VanDerWaalsContact C-N 3.3Å; Q46-L48 PolarHBondContact O-N 3.43Å; Q46-Q49 WeakPolarHBondContact O-CB 3.14Å; Q46-Q49 PolarHBondContact O-N 3.11Å; Q46-V50 WeakPolarHBondContact O-CG2 3.48Å; Q46-V50 PolarHBondContact O-N 3.07Å
47A86.2Confident86.1Confident34 Ų3462 Ų6228%0.28132%0.323SS..Hα-helixtrans-62.5-36.9175.700000112.2S43 V44 Y45 V50 M51 M178S43-A47 WeakPolarHBondContact O-CB 3.28Å; S43-A47 PolarHBondContact O-N 2.63Å; V44-A47 PolarHBondContact O-N 2.86Å; Y45-A47 PolarHBondContact O-N 3.37Å; A47-V50 PolarHBondContact O-N 3.35Å; A47-M51 WeakPolarHBondContact O-CG 3.49Å; A47-M51 PolarHBondContact O-N 3.02Å; A47-M178 HydrophobicContact CB-CE 4.14Å; A47-M178 HydrophobicContact CB-SD 3.94Å
48L88.8Confident86.3Confident51 Ų5159 Ų5927%0.26731%0.308SS..Hα-helixtrans-67.4-36.7174.4-69.3172.2000112.2V44 Y45 Q46 M51 D52 P175 M178V44-L48 HydrophobicContact CG1-CD1 4.16Å; V44-L48 HydrophobicContact CG1-CG 4.42Å; V44-L48 VanDerWaalsContact O-CG 3.3Å; V44-L48 WeakPolarHBondContact O-CG 3.29Å; V44-L48 PolarHBondContact O-N 3.5Å; Y45-L48 PolarHBondContact O-N 2.81Å; Q46-L48 VanDerWaalsContact C-N 3.3Å; Q46-L48 PolarHBondContact O-N 3.43Å; L48-M51 PolarHBondContact O-N 3.06Å; L48-D52 PolarHBondContact O-N 2.83Å; L48-P175 HydrophobicContact CD1-CB 4.24Å; L48-P175 HydrophobicContact CD1-CG 4.25Å; L48-P175 HydrophobicContact CD2-CG 4.04Å; L48-M178 HydrophobicContact CD2-SD 3.88Å; L48-M178 HydrophobicContact CG-SD 4.25Å
49Q88.1Confident86.7Confident98 Ų9859.5 Ų59.546%0.45831%0.31SS..Hα-helixtrans-63.6-43.6173.2-70.9-178.9-41.600111.7Y45 Q46 M51 D52 Q53Y45-Q49 HydrophobicContact CD1-CG 4.44Å; Y45-Q49 VanDerWaalsContact CE1-CD 3.48Å; Y45-Q49 HydrophobicContact CE1-CG 4.09Å; Y45-Q49 WeakPolarHBondContact O-CG 3.37Å; Y45-Q49 PolarHBondContact O-N 2.85Å; Y45-Q49 PolarHBondContact OH-NE2 3.09Å; Q46-Q49 WeakPolarHBondContact O-CB 3.14Å; Q46-Q49 PolarHBondContact O-N 3.11Å; Q49-M51 VanDerWaalsContact C-N 3.29Å; Q49-M51 PolarHBondContact O-N 3.12Å; Q49-D52 PolarHBondContact O-N 3Å; Q49-Q53 WeakPolarHBondContact O-CB 3.5Å; Q49-Q53 PolarHBondContact O-N 3.48Å
50V86.4Confident87.1Confident38 Ų3861.8 Ų61.823%0.2332%0.32CS..Hα-helixtrans-58-43.9174.11710000110.9Q46 A47 D52 Q53 L54 Y114Q46-V50 WeakPolarHBondContact O-CG2 3.48Å; Q46-V50 PolarHBondContact O-N 3.07Å; A47-V50 PolarHBondContact O-N 3.35Å; V50-D52 PolarHBondContact O-N 2.99Å; V50-Q53 PolarHBondContact O-N 3.3Å; V50-L54 HydrophobicContact CG1-CD1 4.2Å; V50-L54 WeakPolarHBondContact O-CB 3.27Å; V50-L54 WeakPolarHBondContact O-CG 3.34Å; V50-L54 PolarHBondContact O-N 3.44Å; V50-Y114 HydrophobicContact CB-CE2 4.39Å; V50-Y114 HydrophobicContact CG1-CD2 3.89Å; V50-Y114 HydrophobicContact CG1-CE1 4.36Å; V50-Y114 HydrophobicContact CG1-CE2 3.61Å; V50-Y114 HydrophobicContact CG1-CG 4.49Å; V50-Y114 HydrophobicContact CG2-CE1 4.48Å; V50-Y114 HydrophobicContact CG2-CE2 4.35Å
51M85.4Confident87.3Confident56 Ų5662.2 Ų62.228%0.27632%0.322SS..Hα-helixtrans-65.2-37.4177.6-70.8-63.1-63.200113.1A47 L48 Q49 L54 K55 M170 M178A47-M51 WeakPolarHBondContact O-CG 3.49Å; A47-M51 PolarHBondContact O-N 3.02Å; L48-M51 PolarHBondContact O-N 3.06Å; Q49-M51 VanDerWaalsContact C-N 3.29Å; Q49-M51 PolarHBondContact O-N 3.12Å; M51-L54 PolarHBondContact O-N 3.37Å; M51-L54 HydrophobicContact SD-CD1 4.26Å; M51-K55 WeakPolarHBondContact O-CB 3.33Å; M51-K55 PolarHBondContact O-N 3.12Å; M51-M170 HydrophobicContact CB-CE 4.25Å; M51-M170 HydrophobicContact CB-SD 3.81Å; M51-M170 HydrophobicContact CE-CG 4.26Å; M51-M170 HydrophobicContact CE-SD 3.65Å; M51-M170 HydrophobicContact CG-SD 4.2Å; M51-M178 HydrophobicContact CG-CE 3.7Å; M51-M178 HydrophobicContact SD-CE 4.42Å
52D87Confident87.4Confident95 Ų9558 Ų5851%0.50830%0.3SS..Hα-helixtrans-68.3-39.3176.5-167.662.2000111.7L48 Q49 V50 K55 T56L48-D52 PolarHBondContact O-N 2.83Å; Q49-D52 PolarHBondContact O-N 3Å; V50-D52 PolarHBondContact O-N 2.99Å; D52-K55 PolarHBondContact O-N 3.07Å; D52-T56 PolarHBondContact O-N 3.22Å; D52-T56 PolarHBondContact O-OG1 3.32Å
53Q87.1Confident87.7Confident58 Ų5861.2 Ų61.227%0.27131%0.309SS..Hα-helixtrans-62.5-47.5172.9-163.3-176.7-6.200111.1Q49 V50 K55 T56 D57 S90 Y114Q49-Q53 WeakPolarHBondContact O-CB 3.5Å; Q49-Q53 PolarHBondContact O-N 3.48Å; V50-Q53 PolarHBondContact O-N 3.3Å; Q53-K55 VanDerWaalsContact C-N 3.27Å; Q53-K55 PolarHBondContact O-N 2.95Å; Q53-T56 WeakPolarHBondContact O-CB 3.4Å; Q53-T56 PolarHBondContact O-N 3.27Å; Q53-T56 VanDerWaalsContact O-N 3.1Å; Q53-D57 WeakPolarHBondContact O-CB 3.41Å; Q53-D57 VanDerWaalsContact O-CG 3.32Å; Q53-D57 PolarHBondContact O-N 2.89Å; Q53-S90 VanDerWaalsContact CD-OG 3.23Å; Q53-S90 VanDerWaalsContact CG-OG 3.29Å; Q53-S90 WeakPolarHBondContact CG-OG 3.41Å; Q53-S90 PolarHBondContact NE2-OG 2.85Å; Q53-Y114 PolarHBondContact OE1-OH 3.49Å
54L88.1Confident88.2Confident28 Ų2863 Ų6315%0.14731%0.309CS..Hα-helixtrans-58-39175.1-76.2174.5000112.7V50 M51 S58 I91 Y114 F115V50-L54 HydrophobicContact CG1-CD1 4.2Å; V50-L54 WeakPolarHBondContact O-CB 3.27Å; V50-L54 WeakPolarHBondContact O-CG 3.34Å; V50-L54 PolarHBondContact O-N 3.44Å; M51-L54 PolarHBondContact O-N 3.37Å; M51-L54 HydrophobicContact SD-CD1 4.26Å; L54-S58 VanDerWaalsContact O-CB 3.24Å; L54-S58 WeakPolarHBondContact O-CB 3.25Å; L54-S58 PolarHBondContact O-N 3.22Å; L54-I91 HydrophobicContact CD2-CD1 3.74Å; L54-I91 HydrophobicContact CD2-CG1 3.59Å; L54-Y114 HydrophobicContact CD2-CD2 4.06Å; L54-Y114 HydrophobicContact CG-CD2 4.28Å; L54-F115 HydrophobicContact CD1-CE1 4.17Å; L54-F115 HydrophobicContact CD2-CD1 4.27Å; L54-F115 HydrophobicContact CD2-CE1 3.35Å; L54-F115 HydrophobicContact CD2-CZ 3.82Å; L54-F115 HydrophobicContact CG-CE1 4.41Å
55K87.1Confident88.3Confident88 Ų8862.6 Ų62.638%0.38331%0.306SS..Hα-helixtrans-66.3-44.7175.9-173.9-175.1177.3-168.20111M51 D52 Q53 S58 L59M51-K55 WeakPolarHBondContact O-CB 3.33Å; M51-K55 PolarHBondContact O-N 3.12Å; D52-K55 PolarHBondContact O-N 3.07Å; Q53-K55 VanDerWaalsContact C-N 3.27Å; Q53-K55 PolarHBondContact O-N 2.95Å; K55-S58 PolarHBondContact O-N 2.99Å; K55-S58 PolarHBondContact O-OG 3.16Å; K55-L59 PolarHBondContact O-N 2.87Å
56T89.4Confident88.4Confident68 Ų6856.4 Ų56.442%0.41728%0.284SS..Hα-helixtrans-60.7-50.4177.6-57.20000110.7D52 Q53 S58 L59 E60D52-T56 PolarHBondContact O-N 3.22Å; D52-T56 PolarHBondContact O-OG1 3.32Å; Q53-T56 WeakPolarHBondContact O-CB 3.4Å; Q53-T56 PolarHBondContact O-N 3.27Å; Q53-T56 VanDerWaalsContact O-N 3.1Å; T56-S58 VanDerWaalsContact C-N 3.27Å; T56-S58 PolarHBondContact O-N 3.48Å; T56-L59 WeakPolarHBondContact O-CB 3.1Å; T56-L59 PolarHBondContact O-N 3.3Å; T56-E60 PolarHBondContact O-N 2.83Å
57D89.7Confident88.7Confident6 Ų655 Ų553%0.03228%0.281CS..Hα-helixtrans-63-34.3178.5-70.52.3000111.7Q53 L59 E60 I61 T88 S90 I91Q53-D57 WeakPolarHBondContact O-CB 3.41Å; Q53-D57 VanDerWaalsContact O-CG 3.32Å; Q53-D57 PolarHBondContact O-N 2.89Å; D57-L59 VanDerWaalsContact C-N 3.3Å; D57-L59 PolarHBondContact O-N 3.47Å; D57-E60 PolarHBondContact O-N 2.9Å; D57-I61 WeakPolarHBondContact O-CB 3.44Å; D57-I61 WeakPolarHBondContact O-CG1 3.37Å; D57-I61 PolarHBondContact O-N 3.18Å; D57-T88 HydrophobicContact CB-CG2 4Å; D57-T88 WeakPolarHBondContact CB-OG1 3.18Å; D57-T88 PolarHBondContact OD2-OG1 3.39Å; D57-S90 WeakPolarHBondContact OD2-CA 3.35Å; D57-S90 WeakPolarHBondContact OD2-CB 3.41Å; D57-S90 PolarHBondContact OD2-N 2.91Å; D57-S90 PolarHBondContact OD2-OG 3.27Å; D57-I91 HydrophobicContact CB-CD1 4.24Å
58S88.6Confident89.1Confident5 Ų553.8 Ų53.84%0.03527%0.269CS..Hα-helixtrans-62.7-36.4174.577.60000112.3L54 K55 T56 I61 V62L54-S58 VanDerWaalsContact O-CB 3.24Å; L54-S58 WeakPolarHBondContact O-CB 3.25Å; L54-S58 PolarHBondContact O-N 3.22Å; K55-S58 PolarHBondContact O-N 2.99Å; K55-S58 PolarHBondContact O-OG 3.16Å; T56-S58 VanDerWaalsContact C-N 3.27Å; T56-S58 PolarHBondContact O-N 3.48Å; S58-I61 PolarHBondContact O-N 2.84Å; S58-V62 WeakPolarHBondContact O-CB 3.43Å; S58-V62 WeakPolarHBondContact O-CG2 3.48Å; S58-V62 PolarHBondContact O-N 3.37Å
59L90.7Very high89.2Confident79 Ų7957 Ų5741%0.41428%0.278SS..Hα-helixtrans-70-35.4176.7-65.8174.7000111.5K55 T56 D57 V62 K166K55-L59 PolarHBondContact O-N 2.87Å; T56-L59 WeakPolarHBondContact O-CB 3.1Å; T56-L59 PolarHBondContact O-N 3.3Å; D57-L59 VanDerWaalsContact C-N 3.3Å; D57-L59 PolarHBondContact O-N 3.47Å; L59-V62 PolarHBondContact O-N 2.93Å; L59-K166 HydrophobicContact CD2-CG 4.16Å
60E90.2Very high89.4Confident85 Ų8553.4 Ų53.440%0.39726%0.262SS..Hα-helixtrans-66-44.1172.8-64.8-166.8-16800112.1T56 D57 V62 E63 Y86 T88T56-E60 PolarHBondContact O-N 2.83Å; D57-E60 PolarHBondContact O-N 2.9Å; E60-V62 VanDerWaalsContact C-N 3.28Å; E60-V62 PolarHBondContact O-N 3.29Å; E60-E63 PolarHBondContact O-N 2.86Å; E60-Y86 HydrophobicContact CB-CE1 4.18Å; E60-Y86 PolarHBondContact OE2-OH 3.43Å; E60-Y86 VanDerWaalsContact OE2-OH 3.11Å; E60-T88 HydrophobicContact CB-CG2 4.29Å
61I89.5Confident89.5Confident8 Ų856.2 Ų56.24%0.04127%0.272CS..Hα-helixtrans-60.6-40.6177.5-76.8172.5000111D57 S58 E63 K64 I65 Y86 T88 I91 L93D57-I61 WeakPolarHBondContact O-CB 3.44Å; D57-I61 WeakPolarHBondContact O-CG1 3.37Å; D57-I61 PolarHBondContact O-N 3.18Å; S58-I61 PolarHBondContact O-N 2.84Å; I61-E63 PolarHBondContact O-N 3.47Å; I61-K64 WeakPolarHBondContact O-CA 3.4Å; I61-K64 PolarHBondContact O-N 3.47Å; I61-I65 HydrophobicContact CG2-CD1 3.91Å; I61-I65 HydrophobicContact CG2-CG1 4.12Å; I61-I65 WeakPolarHBondContact O-CG1 3.28Å; I61-I65 PolarHBondContact O-N 2.73Å; I61-I65 VanDerWaalsContact O-N 3.09Å; I61-Y86 HydrophobicContact CG1-CD1 3.99Å; I61-Y86 HydrophobicContact CG1-CE1 4.3Å; I61-T88 HydrophobicContact CD1-CG2 4.25Å; I61-T88 HydrophobicContact CG1-CG2 3.98Å; I61-I91 HydrophobicContact CD1-CB 3.5Å; I61-I91 HydrophobicContact CD1-CD1 4.05Å; I61-I91 HydrophobicContact CD1-CG1 4.37Å; I61-I91 HydrophobicContact CD1-CG2 3.33Å; I61-L93 HydrophobicContact CD1-CB 4.49Å; I61-L93 HydrophobicContact CG2-CB 4.3Å; I61-L93 HydrophobicContact CG2-CD2 3.82Å
62V89.9Confident89.6Confident1 Ų161.4 Ų61.41%0.00630%0.301CS..Hα-helixtrans-55.9-38.3179.3164.20000112.6S58 L59 E60 K64 I65 R162 L165 K166S58-V62 WeakPolarHBondContact O-CB 3.43Å; S58-V62 WeakPolarHBondContact O-CG2 3.48Å; S58-V62 PolarHBondContact O-N 3.37Å; L59-V62 PolarHBondContact O-N 2.93Å; E60-V62 VanDerWaalsContact C-N 3.28Å; E60-V62 PolarHBondContact O-N 3.29Å; V62-K64 PolarHBondContact O-N 3.03Å; V62-I65 PolarHBondContact O-N 2.94Å; V62-R162 HydrophobicContact CG1-CB 3.84Å; V62-R162 HydrophobicContact CG1-CG 3.9Å; V62-R162 WeakPolarHBondContact O-CD 3.24Å; V62-L165 HydrophobicContact CG2-CB 3.34Å; V62-L165 HydrophobicContact CG2-CD1 3.75Å; V62-L165 HydrophobicContact CG2-CG 4.2Å; V62-K166 HydrophobicContact CG1-CD 4.17Å; V62-K166 HydrophobicContact CG1-CG 3.97Å; V62-K166 HydrophobicContact CG2-CG 4.42Å
63E90.1Very high89.7Confident135 Ų13557.3 Ų57.363%0.63128%0.282SS*.THydrogen-bonded Turntrans-71-14.2177.8-62.7-58.5141.400113E60 I61 K166E60-E63 PolarHBondContact O-N 2.86Å; I61-E63 PolarHBondContact O-N 3.47Å; E63-K166 IonicContact OE1-NZ 3.64Å
64K90.6Very high89.9Confident103 Ų10357.5 Ų57.545%0.44828%0.282SS..THydrogen-bonded Turntrans-101.5-19178.5-58-57.7-176.6-172.50113.9I61 V62 P66 F84 Y86I61-K64 WeakPolarHBondContact O-CA 3.4Å; I61-K64 PolarHBondContact O-N 3.47Å; V62-K64 PolarHBondContact O-N 3.03Å; K64-P66 WeakPolarHBondContact O-CD 3.36Å; K64-F84 HydrophobicContact CB-CE2 4.31Å; K64-F84 WeakPolarHBondContact O-CZ 3.41Å; K64-Y86 HydrophobicContact CB-CD1 4.49Å; K64-Y86 HydrophobicContact CB-CG 4.3Å; K64-Y86 HydrophobicContact CD-CD2 4.24Å; K64-Y86 HydrophobicContact CD-CE2 4.18Å; K64-Y86 HydrophobicContact CG-CD1 3.96Å; K64-Y86 HydrophobicContact CG-CD2 3.76Å; K64-Y86 HydrophobicContact CG-CE1 4.04Å; K64-Y86 HydrophobicContact CG-CE2 3.84Å; K64-Y86 HydrophobicContact CG-CG 3.81Å
65I89.8Confident90Very high6 Ų656.3 Ų56.33%0.03128%0.276CS..PPolyproline II helixtrans-65.8120.6179.5-69.4167.5000109.3I61 V62 F68 L93 L161 R162 L165I61-I65 HydrophobicContact CG2-CD1 3.91Å; I61-I65 HydrophobicContact CG2-CG1 4.12Å; I61-I65 WeakPolarHBondContact O-CG1 3.28Å; I61-I65 PolarHBondContact O-N 2.73Å; I61-I65 VanDerWaalsContact O-N 3.09Å; V62-I65 PolarHBondContact O-N 2.94Å; I65-F68 HydrophobicContact CG2-CE1 4.07Å; I65-L93 HydrophobicContact CG1-CD2 3.79Å; I65-L161 HydrophobicContact CD1-CD2 3.83Å; I65-L161 HydrophobicContact CD1-CG 3.97Å; I65-L161 HydrophobicContact CG2-CD2 4.32Å; I65-R162 HydrophobicContact CB-CG 4.09Å; I65-R162 HydrophobicContact CG2-CG 4.15Å; I65-R162 PolarHBondContact O-NE 3.33Å; I65-R162 PolarHBondContact O-NH2 3.11Å; I65-L165 HydrophobicContact CD1-CD1 3.64Å
66P89.1Confident90.1Very high18 Ų1856 Ų5612%0.11728%0.275CS..PPolyproline II helixtrans-77.9167.2176.432.4-34.8000111.7K64 F68 E81 F84 F95 R162K64-P66 WeakPolarHBondContact O-CD 3.36Å; P66-F68 WeakPolarHBondContact O-CD1 3.47Å; P66-F68 PolarHBondContact O-N 3.19Å; P66-E81 HydrophobicContact CB-CG 4.28Å; P66-F84 HydrophobicContact CG-CE1 4.24Å; P66-F95 HydrophobicContact CB-CE1 4.49Å; P66-F95 HydrophobicContact CG-CD1 3.65Å; P66-F95 HydrophobicContact CG-CD2 4.14Å; P66-F95 HydrophobicContact CG-CE1 3.29Å; P66-F95 HydrophobicContact CG-CE2 3.8Å; P66-F95 HydrophobicContact CG-CG 4.07Å; P66-F95 HydrophobicContact CG-CZ 3.4Å; P66-R162 PolarHBondContact O-NH2 3.13Å
67D91.7Very high90Very high96 Ų9654.3 Ų54.351%0.51326%0.264SS..PPolyproline II helixtrans-73.1123.9172.4-75.8-29.3000110.1R162D67-R162 VanDerWaalsContact N-NH2 3.11Å; D67-R162 IonicContact OD1-CZ 3.91Å; D67-R162 IonicContact OD1-NH1 3.5Å; D67-R162 PolarHBondContact OD1-NH1 2.74Å; D67-R162 IonicContact OD1-NH2 2.68Å; D67-R162 PolarHBondContact OD1-NH2 2.78Å
68F93.2Very high89.7Confident7 Ų759.4 Ų59.43%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-140.9160.8175.570.4-96.3000111.3I65 P66 I70 I75 K76 T77 F95 L119 M156 T157 G158 L161I65-F68 HydrophobicContact CG2-CE1 4.07Å; P66-F68 WeakPolarHBondContact O-CD1 3.47Å; P66-F68 PolarHBondContact O-N 3.19Å; F68-I70 HydrophobicContact CD2-CD1 4.25Å; F68-I70 HydrophobicContact CE2-CD1 4.25Å; F68-I75 HydrophobicContact CB-CD1 4.13Å; F68-I75 HydrophobicContact CB-CG1 3.75Å; F68-I75 HydrophobicContact CD1-CD1 4.13Å; F68-I75 HydrophobicContact CD2-CD1 3.64Å; F68-I75 HydrophobicContact CD2-CG1 3.56Å; F68-I75 HydrophobicContact CE1-CD1 4.47Å; F68-I75 HydrophobicContact CE2-CD1 4.04Å; F68-I75 HydrophobicContact CE2-CG1 4.34Å; F68-I75 HydrophobicContact CG-CD1 3.7Å; F68-I75 HydrophobicContact CG-CG1 3.75Å; F68-I75 HydrophobicContact CZ-CD1 4.45Å; F68-K76 CarbonylContact C-O 3.5Å; F68-K76 WeakPolarHBondContact CA-O 3.02Å; F68-K76 WeakPolarHBondContact CB-O 3.06Å; F68-T77 HydrophobicContact CB-CG2 4.02Å; F68-F95 HydrophobicContact CB-CE2 4.47Å; F68-F95 HydrophobicContact CB-CZ 4.29Å; F68-F95 AromaticContact CD1-CE2 3.85Å; F68-F95 HydrophobicContact CD1-CE2 3.85Å; F68-F95 HydrophobicContact CD1-CZ 4.4Å; F68-F95 HydrophobicContact CE1-CE2 4.43Å; F68-F95 HydrophobicContact CG-CE2 4.32Å; F68-L119 HydrophobicContact CE1-CD1 4.2Å; F68-L119 HydrophobicContact CZ-CD1 4.45Å; F68-M156 HydrophobicContact CE2-CE 3.72Å; F68-M156 HydrophobicContact CE2-CG 4.12Å; F68-M156 HydrophobicContact CZ-CE 3.73Å; F68-M156 HydrophobicContact CZ-CG 4.15Å; F68-M156 HydrophobicContact CZ-SD 4.3Å; F68-T157 VanDerWaalsContact O-CA 3.28Å; F68-T157 WeakPolarHBondContact O-CA 3.1Å; F68-G158 PolarHBondContact O-N 3.15Å; F68-L161 HydrophobicContact CE1-CD2 4.12Å; F68-L161 HydrophobicContact CZ-CD2 4.08Å
69R92.2Very high89.3Confident120 Ų12066.4 Ų66.445%0.45332%0.321SS..EExtended strand (participates in β ladder)trans-131.4152.8168.9-59.6-173.6-170.4109.915.6109.3K76 D78 T157R69-K76 PolarHBondContact N-O 3.07Å; R69-K76 PolarHBondContact O-N 3.32Å; R69-D78 IonicContact CZ-OD1 3.88Å; R69-D78 IonicContact CZ-OD2 3.73Å; R69-D78 IonicContact NH1-OD1 3.09Å; R69-D78 PolarHBondContact NH1-OD1 3.02Å; R69-D78 VanDerWaalsContact NH1-OD1 3.09Å; R69-D78 IonicContact NH1-OD2 3.69Å; R69-D78 IonicContact NH2-OD1 3.72Å; R69-D78 IonicContact NH2-OD2 3Å; R69-D78 PolarHBondContact NH2-OD2 3.16Å; R69-T157 HydrophobicContact CG-CG2 4.3Å
70I91.1Very high88.5Confident22 Ų2269.1 Ų69.111%0.11334%0.343CS..EExtended strand (participates in β ladder)trans-91.5118.8170.8-60.8-49000108.9F68 E74 I75 Y148 L153F68-I70 HydrophobicContact CD2-CD1 4.25Å; F68-I70 HydrophobicContact CE2-CD1 4.25Å; I70-E74 CarbonylContact C-O 3.3Å; I70-E74 WeakPolarHBondContact CA-O 3.46Å; I70-I75 HydrophobicContact CD1-CB 3.96Å; I70-I75 HydrophobicContact CD1-CG1 4.01Å; I70-Y148 HydrophobicContact CD1-CD1 3.51Å; I70-Y148 HydrophobicContact CD1-CD2 4.04Å; I70-Y148 HydrophobicContact CD1-CE1 3.7Å; I70-Y148 HydrophobicContact CD1-CE2 4.18Å; I70-Y148 HydrophobicContact CD1-CG 3.74Å; I70-Y148 HydrophobicContact CG1-CD1 3.93Å; I70-Y148 HydrophobicContact CG1-CE1 4.46Å; I70-Y148 HydrophobicContact CG1-CG 4.25Å; I70-Y148 HydrophobicContact CG2-CG 4.26Å; I70-L153 WeakPolarHBondContact CG1-O 3.31Å
71E89.4Confident87.9Confident96 Ų9669 Ų6945%0.44934%0.343SS..EExtended strand (participates in β ladder)trans-128.2130.1176.5-64.3-175.9-178.500109.6G73 E74 K76E71-G73 PolarHBondContact O-N 3.28Å; E71-E74 PolarHBondContact N-O 3.01Å; E71-E74 PolarHBondContact O-N 2.99Å; E71-E74 VanDerWaalsContact O-O 3.13Å; E71-K76 HydrophobicContact CB-CG 3.94Å; E71-K76 HydrophobicContact CG-CG 4.32Å
72N88.3Confident87.6Confident165 Ų16576.4 Ų76.488%0.88238%0.375SS*.THydrogen-bonded Turntrans53.726.3-178.1-61.3-33.7000114.7E74N72-E74 VanDerWaalsContact C-N 3.32Å
73G88.3Confident87.5Confident10 Ų1077.9 Ų77.910%0.10339%0.39CS..THydrogen-bonded Turntrans78.514-177.500000114.1E71E71-G73 PolarHBondContact O-N 3.28Å
74E91.4Very high87.5Confident62 Ų6274.4 Ų74.429%0.2937%0.373SS..EExtended strand (participates in β ladder)trans-119151.8171.3-64-173.2165.100110.8I70 E71 N72 K76 K121I70-E74 CarbonylContact C-O 3.3Å; I70-E74 WeakPolarHBondContact CA-O 3.46Å; E71-E74 PolarHBondContact N-O 3.01Å; E71-E74 PolarHBondContact O-N 2.99Å; E71-E74 VanDerWaalsContact O-O 3.13Å; N72-E74 VanDerWaalsContact C-N 3.32Å; E74-K76 IonicContact OE2-NZ 3.23Å; E74-K76 PolarHBondContact OE2-NZ 2.79Å; E74-K121 CarbonylContact C-O 3.59Å; E74-K121 WeakPolarHBondContact CA-O 3.27Å; E74-K121 VanDerWaalsContact CD-CE 3.47Å; E74-K121 HydrophobicContact CG-CG 4.48Å; E74-K121 VanDerWaalsContact OE1-CE 3.31Å; E74-K121 WeakPolarHBondContact OE1-CE 3.45Å; E74-K121 IonicContact OE1-NZ 4Å; E74-K121 WeakPolarHBondContact OE2-CE 3.44Å
75I90.4Very high87.5Confident2 Ų273.3 Ų73.31%0.0137%0.371CS..EExtended strand (participates in β ladder)trans-74.9130.6170.3-160.1164.2000110.2F68 I70 F95 P97 L119 K121 Y148F68-I75 HydrophobicContact CB-CD1 4.13Å; F68-I75 HydrophobicContact CB-CG1 3.75Å; F68-I75 HydrophobicContact CD1-CD1 4.13Å; F68-I75 HydrophobicContact CD2-CD1 3.64Å; F68-I75 HydrophobicContact CD2-CG1 3.56Å; F68-I75 HydrophobicContact CE1-CD1 4.47Å; F68-I75 HydrophobicContact CE2-CD1 4.04Å; F68-I75 HydrophobicContact CE2-CG1 4.34Å; F68-I75 HydrophobicContact CG-CD1 3.7Å; F68-I75 HydrophobicContact CG-CG1 3.75Å; F68-I75 HydrophobicContact CZ-CD1 4.45Å; I70-I75 HydrophobicContact CD1-CB 3.96Å; I70-I75 HydrophobicContact CD1-CG1 4.01Å; I75-F95 HydrophobicContact CD1-CD2 4.26Å; I75-F95 HydrophobicContact CD1-CE2 3.4Å; I75-F95 VanDerWaalsContact CD1-CE2 3.4Å; I75-F95 HydrophobicContact CD1-CZ 3.98Å; I75-F95 HydrophobicContact CG1-CE2 4.36Å; I75-F95 HydrophobicContact CG1-CZ 4.5Å; I75-P97 HydrophobicContact CG2-CB 3.72Å; I75-L119 HydrophobicContact CD1-CB 4.34Å; I75-K121 PolarHBondContact N-O 2.82Å; I75-Y148 HydrophobicContact CB-CE2 4.2Å
76K89Confident87.6Confident83 Ų8375.8 Ų75.836%0.36138%0.381SS..EExtended strand (participates in β ladder)trans-126.6139176.8-62.7-62174.8-159.80109.8F68 R69 E71 E74F68-K76 CarbonylContact C-O 3.5Å; F68-K76 WeakPolarHBondContact CA-O 3.02Å; F68-K76 WeakPolarHBondContact CB-O 3.06Å; R69-K76 PolarHBondContact N-O 3.07Å; R69-K76 PolarHBondContact O-N 3.32Å; E71-K76 HydrophobicContact CB-CG 3.94Å; E71-K76 HydrophobicContact CG-CG 4.32Å; E74-K76 IonicContact OE2-NZ 3.23Å; E74-K76 PolarHBondContact OE2-NZ 2.79Å
77T87.7Confident87.7Confident32 Ų3280.6 Ų80.620%0.19640%0.401CS..EExtended strand (participates in β ladder)trans-116.1141.1176.754.60000109F68 K79 E81 F95F68-T77 HydrophobicContact CB-CG2 4.02Å; T77-K79 VanDerWaalsContact CB-O 3.22Å; T77-K79 WeakPolarHBondContact CB-O 3.32Å; T77-K79 PolarHBondContact O-N 2.79Å; T77-K79 PolarHBondContact OG1-O 2.83Å; T77-E81 HydrophobicContact CG2-CB 4.46Å; T77-F95 HydrophobicContact CG2-CE1 4.04Å; T77-F95 HydrophobicContact CG2-CZ 3.72Å
78D81.8Confident87.6Confident113 Ų11376.4 Ų76.460%0.60438%0.38SS*.SBendtrans-66.8-22.7-178.5-70.9-29000111.8R69R69-D78 IonicContact CZ-OD1 3.88Å; R69-D78 IonicContact CZ-OD2 3.73Å; R69-D78 IonicContact NH1-OD1 3.09Å; R69-D78 PolarHBondContact NH1-OD1 3.02Å; R69-D78 VanDerWaalsContact NH1-OD1 3.09Å; R69-D78 IonicContact NH1-OD2 3.69Å; R69-D78 IonicContact NH2-OD1 3.72Å; R69-D78 IonicContact NH2-OD2 3Å; R69-D78 PolarHBondContact NH2-OD2 3.16Å
79K80.3Confident87.2Confident152 Ų15282.1 Ų82.166%0.66141%0.41SS*.SBendtrans-119.4147.8170.1-64.9177.3-175.6173.10109.5T77 E81T77-K79 VanDerWaalsContact CB-O 3.22Å; T77-K79 WeakPolarHBondContact CB-O 3.32Å; T77-K79 PolarHBondContact O-N 2.79Å; T77-K79 PolarHBondContact OG1-O 2.83Å; K79-E81 VanDerWaalsContact C-N 3.34Å; K79-E81 PolarHBondContact O-N 2.85Å
80P74.1Confident86.9Confident135 Ų13576.4 Ų76.488%0.87739%0.389SS*.  trans-65.395.2172.925.6-31.2000109.7
81E77.6Confident86.8Confident82 Ų8275.9 Ų75.938%0.38339%0.386SS..PPolyproline II helixtrans-87.7131.8174.3-73.6-65.7165.500109P66 T77 K79P66-E81 HydrophobicContact CB-CG 4.28Å; T77-E81 HydrophobicContact CG2-CB 4.46Å; K79-E81 VanDerWaalsContact C-N 3.34Å; K79-E81 PolarHBondContact O-N 2.85Å
82K84.4Confident86.9Confident165 Ų16571.4 Ų71.472%0.71737%0.365SS*.PPolyproline II helixtrans-72.2141.5172-72.2-176178.4179.20109
83G86.3Confident87.1Confident31 Ų3163.9 Ų63.932%0.3233%0.325SS..PPolyproline II helixtrans-58.5141.7171.100000111.5F95 E98G83-F95 CarbonylContact C-O 3.55Å; G83-F95 WeakPolarHBondContact CA-O 3.38Å; G83-E98 PolarHBondContact N-OE2 2.95Å
84F91.8Very high87.3Confident63 Ų6363.4 Ų63.428%0.27632%0.32SS..EExtended strand (participates in β ladder)trans-142.4163.8179.969.3-92.2000111.8K64 P66 L93 F95K64-F84 HydrophobicContact CB-CE2 4.31Å; K64-F84 WeakPolarHBondContact O-CZ 3.41Å; P66-F84 HydrophobicContact CG-CE1 4.24Å; F84-L93 HydrophobicContact CE2-CD2 4.31Å; F84-L93 HydrophobicContact CZ-CD2 4.46Å; F84-F95 HydrophobicContact CD1-CB 4.15Å; F84-F95 HydrophobicContact CD1-CD1 4.24Å; F84-F95 HydrophobicContact CE1-CB 3.71Å; F84-F95 AromaticContact CE1-CD1 3.77Å; F84-F95 HydrophobicContact CE1-CD1 3.77Å; F84-F95 AromaticContact CE1-CG 4Å; F84-F95 HydrophobicContact CE1-CG 4Å; F84-F95 HydrophobicContact CE2-CB 4.34Å; F84-F95 HydrophobicContact CZ-CB 3.8Å; F84-F95 HydrophobicContact CZ-CG 4.36Å; F84-F95 PolarHBondContact N-O 3.23Å; F84-F95 PolarHBondContact O-N 2.79Å
85I90.6Very high87.4Confident80 Ų8060.5 Ų60.541%0.4131%0.306SS..EExtended strand (participates in β ladder)trans-119.2130.7171.7-49.4168.3000106.6I92 L93I85-I92 HydrophobicContact CG2-CG2 3.64Å; I85-L93 CarbonylContact C-O 3.59Å; I85-L93 WeakPolarHBondContact CA-O 3.27Å
86Y91.1Very high87.5Confident58 Ų5860.5 Ų60.523%0.22731%0.306CS..EExtended strand (participates in β ladder)trans-121.9121.4170.7-173.1-102.8000108.6E60 I61 K64 T88 L93E60-Y86 HydrophobicContact CB-CE1 4.18Å; E60-Y86 PolarHBondContact OE2-OH 3.43Å; E60-Y86 VanDerWaalsContact OE2-OH 3.11Å; I61-Y86 HydrophobicContact CG1-CD1 3.99Å; I61-Y86 HydrophobicContact CG1-CE1 4.3Å; K64-Y86 HydrophobicContact CB-CD1 4.49Å; K64-Y86 HydrophobicContact CB-CG 4.3Å; K64-Y86 HydrophobicContact CD-CD2 4.24Å; K64-Y86 HydrophobicContact CD-CE2 4.18Å; K64-Y86 HydrophobicContact CG-CD1 3.96Å; K64-Y86 HydrophobicContact CG-CD2 3.76Å; K64-Y86 HydrophobicContact CG-CE1 4.04Å; K64-Y86 HydrophobicContact CG-CE2 3.84Å; K64-Y86 HydrophobicContact CG-CG 3.81Å; Y86-T88 HydrophobicContact CD1-CG2 4.11Å; Y86-T88 HydrophobicContact CE1-CG2 3.59Å; Y86-L93 PolarHBondContact N-O 2.83Å; Y86-L93 PolarHBondContact O-N 3.33Å
87Q90.3Very high87.6Confident118 Ų11857.3 Ų57.355%0.55129%0.294SS*.EExtended strand (participates in β ladder)trans-111.2130.5-178.8177.5173.99.400109I92 N113Q87-I92 HydrophobicContact CB-CG1 4.39Å; Q87-I92 HydrophobicContact CG-CG1 4.04Å; Q87-N113 PolarHBondContact NE2-OD1 2.82Å
88T89.8Confident87.6Confident9 Ų959.8 Ų59.86%0.05530%0.304CS..  trans-106-174.8166.459.70000108.8D57 E60 I61 Y86 S90 I91 N113D57-T88 HydrophobicContact CB-CG2 4Å; D57-T88 WeakPolarHBondContact CB-OG1 3.18Å; D57-T88 PolarHBondContact OD2-OG1 3.39Å; E60-T88 HydrophobicContact CB-CG2 4.29Å; I61-T88 HydrophobicContact CD1-CG2 4.25Å; I61-T88 HydrophobicContact CG1-CG2 3.98Å; Y86-T88 HydrophobicContact CD1-CG2 4.11Å; Y86-T88 HydrophobicContact CE1-CG2 3.59Å; T88-S90 PolarHBondContact O-N 3.13Å; T88-I91 PolarHBondContact N-O 3.23Å; T88-I91 WeakPolarHBondContact OG1-CA 3.31Å; T88-I91 PolarHBondContact OG1-N 2.71Å; T88-I91 PolarHBondContact OG1-O 3.04Å; T88-N113 PolarHBondContact O-ND2 3.41Å
89D84.7Confident87.8Confident126 Ų12656.5 Ų56.567%0.67430%0.296SS*.SBendtrans-67.9-27.8176-69.4-22000112N113D89-N113 PolarHBondContact O-ND2 3.43Å
90S86Confident88.2Confident0 Ų056 Ų560%029%0.294CS..SBendtrans-113.3-31.7-174-54.30000114.8Q53 D57 T88 Y114 F115Q53-S90 VanDerWaalsContact CD-OG 3.23Å; Q53-S90 VanDerWaalsContact CG-OG 3.29Å; Q53-S90 WeakPolarHBondContact CG-OG 3.41Å; Q53-S90 PolarHBondContact NE2-OG 2.85Å; D57-S90 WeakPolarHBondContact OD2-CA 3.35Å; D57-S90 WeakPolarHBondContact OD2-CB 3.41Å; D57-S90 PolarHBondContact OD2-N 2.91Å; D57-S90 PolarHBondContact OD2-OG 3.27Å; T88-S90 PolarHBondContact O-N 3.13Å; S90-Y114 VanDerWaalsContact CB-CD2 3.46Å; S90-Y114 PolarHBondContact O-N 3.45Å; S90-Y114 WeakPolarHBondContact OG-CE2 3.47Å; S90-F115 PolarHBondContact O-N 3.08Å
91I90.2Very high88.9Confident12 Ų1252.4 Ų52.46%0.06226%0.263CS..EExtended strand (participates in β ladder)trans-130.2135-167.4-52.3171.3000110.1L54 D57 I61 T88 F115 V117L54-I91 HydrophobicContact CD2-CD1 3.74Å; L54-I91 HydrophobicContact CD2-CG1 3.59Å; D57-I91 HydrophobicContact CB-CD1 4.24Å; I61-I91 HydrophobicContact CD1-CB 3.5Å; I61-I91 HydrophobicContact CD1-CD1 4.05Å; I61-I91 HydrophobicContact CD1-CG1 4.37Å; I61-I91 HydrophobicContact CD1-CG2 3.33Å; T88-I91 PolarHBondContact N-O 3.23Å; T88-I91 WeakPolarHBondContact OG1-CA 3.31Å; T88-I91 PolarHBondContact OG1-N 2.71Å; T88-I91 PolarHBondContact OG1-O 3.04Å; I91-F115 WeakPolarHBondContact CA-O 3.23Å; I91-F115 HydrophobicContact CB-CE2 4.28Å; I91-F115 HydrophobicContact CD1-CE1 4.38Å; I91-F115 HydrophobicContact CD1-CE2 3.95Å; I91-F115 HydrophobicContact CD1-CZ 3.56Å; I91-F115 HydrophobicContact CG1-CD2 4.44Å; I91-F115 HydrophobicContact CG1-CE1 4.06Å; I91-F115 HydrophobicContact CG1-CE2 3.76Å; I91-F115 HydrophobicContact CG1-CZ 3.55Å; I91-F115 HydrophobicContact CG2-CD2 4.04Å; I91-F115 HydrophobicContact CG2-CE2 3.63Å; I91-F115 HydrophobicContact CG2-CZ 4.31Å; I91-V117 HydrophobicContact CG2-CG2 4.41Å
92I90.7Very high89.3Confident2 Ų252 Ų521%0.0127%0.266CS..EExtended strand (participates in β ladder)trans-103.9124.2166.8-57.1175.4000108.4I85 Q87 D109 N113 F115 S116 V117I85-I92 HydrophobicContact CG2-CG2 3.64Å; Q87-I92 HydrophobicContact CB-CG1 4.39Å; Q87-I92 HydrophobicContact CG-CG1 4.04Å; I92-D109 HydrophobicContact CD1-CB 4.26Å; I92-D109 WeakPolarHBondContact CD1-O 3.49Å; I92-N113 HydrophobicContact CD1-CB 4.36Å; I92-N113 WeakPolarHBondContact CD1-OD1 3.3Å; I92-N113 HydrophobicContact CG1-CB 4.18Å; I92-N113 WeakPolarHBondContact CG1-OD1 3.46Å; I92-F115 PolarHBondContact N-O 2.91Å; I92-F115 VanDerWaalsContact N-O 3.13Å; I92-S116 CarbonylContact O-C 3.59Å; I92-S116 WeakPolarHBondContact O-CA 3.5Å; I92-V117 PolarHBondContact O-N 3.01Å
93L92.7Very high89.4Confident6 Ų646.9 Ų46.93%0.03124%0.242CC..EExtended strand (participates in β ladder)trans-101.1118.6167.5175.568.1000108.8I61 I65 F84 I85 Y86 V117 L119I61-L93 HydrophobicContact CD1-CB 4.49Å; I61-L93 HydrophobicContact CG2-CB 4.3Å; I61-L93 HydrophobicContact CG2-CD2 3.82Å; I65-L93 HydrophobicContact CG1-CD2 3.79Å; F84-L93 HydrophobicContact CE2-CD2 4.31Å; F84-L93 HydrophobicContact CZ-CD2 4.46Å; I85-L93 CarbonylContact C-O 3.59Å; I85-L93 WeakPolarHBondContact CA-O 3.27Å; Y86-L93 PolarHBondContact N-O 2.83Å; Y86-L93 PolarHBondContact O-N 3.33Å; L93-V117 CarbonylContact C-O 3.39Å; L93-V117 WeakPolarHBondContact CA-O 3.43Å; L93-V117 HydrophobicContact CD1-CB 4.4Å; L93-V117 HydrophobicContact CD1-CG1 4.35Å; L93-L119 HydrophobicContact CD1-CD1 4.21Å; L93-L119 HydrophobicContact CD1-CG 4.31Å
94T92.7Very high89.4Confident0 Ų051.7 Ų51.70%026%0.257CS..EExtended strand (participates in β ladder)trans-102.2122.4163.5-64.40000108.7D96 R101 V106 V117 G118 L119T94-D96 HydrophobicContact CG2-CB 4.5Å; T94-R101 PolarHBondContact OG1-NH1 2.87Å; T94-V106 HydrophobicContact CG2-CG2 4.09Å; T94-V117 PolarHBondContact N-O 2.84Å; T94-G118 CarbonylContact O-C 3.55Å; T94-G118 WeakPolarHBondContact O-CA 3.13Å; T94-L119 PolarHBondContact O-N 2.83Å
95F93.3Very high89.2Confident1 Ų151.1 Ų51.10%0.00426%0.256CS..EExtended strand (participates in β ladder)trans-114.7115.1171.4-176.1-99.3000108.2P66 F68 I75 T77 G83 F84 P97 L119P66-F95 HydrophobicContact CB-CE1 4.49Å; P66-F95 HydrophobicContact CG-CD1 3.65Å; P66-F95 HydrophobicContact CG-CD2 4.14Å; P66-F95 HydrophobicContact CG-CE1 3.29Å; P66-F95 HydrophobicContact CG-CE2 3.8Å; P66-F95 HydrophobicContact CG-CG 4.07Å; P66-F95 HydrophobicContact CG-CZ 3.4Å; F68-F95 HydrophobicContact CB-CE2 4.47Å; F68-F95 HydrophobicContact CB-CZ 4.29Å; F68-F95 AromaticContact CD1-CE2 3.85Å; F68-F95 HydrophobicContact CD1-CE2 3.85Å; F68-F95 HydrophobicContact CD1-CZ 4.4Å; F68-F95 HydrophobicContact CE1-CE2 4.43Å; F68-F95 HydrophobicContact CG-CE2 4.32Å; I75-F95 HydrophobicContact CD1-CD2 4.26Å; I75-F95 HydrophobicContact CD1-CE2 3.4Å; I75-F95 VanDerWaalsContact CD1-CE2 3.4Å; I75-F95 HydrophobicContact CD1-CZ 3.98Å; I75-F95 HydrophobicContact CG1-CE2 4.36Å; I75-F95 HydrophobicContact CG1-CZ 4.5Å; T77-F95 HydrophobicContact CG2-CE1 4.04Å; T77-F95 HydrophobicContact CG2-CZ 3.72Å; G83-F95 CarbonylContact C-O 3.55Å; G83-F95 WeakPolarHBondContact CA-O 3.38Å; F84-F95 HydrophobicContact CD1-CB 4.15Å; F84-F95 HydrophobicContact CD1-CD1 4.24Å; F84-F95 HydrophobicContact CE1-CB 3.71Å; F84-F95 AromaticContact CE1-CD1 3.77Å; F84-F95 HydrophobicContact CE1-CD1 3.77Å; F84-F95 AromaticContact CE1-CG 4Å; F84-F95 HydrophobicContact CE1-CG 4Å; F84-F95 HydrophobicContact CE2-CB 4.34Å; F84-F95 HydrophobicContact CZ-CB 3.8Å; F84-F95 HydrophobicContact CZ-CG 4.36Å; F84-F95 PolarHBondContact N-O 3.23Å; F84-F95 PolarHBondContact O-N 2.79Å; F95-P97 HydrophobicContact CD1-CG 4.27Å; F95-P97 HydrophobicContact CE1-CB 4.32Å; F95-P97 HydrophobicContact CE1-CG 3.68Å; F95-P97 HydrophobicContact CZ-CB 4.47Å; F95-P97 HydrophobicContact CZ-CG 4.31Å; F95-L119 HydrophobicContact CD2-CB 3.86Å; F95-L119 HydrophobicContact CD2-CD1 3.91Å; F95-L119 HydrophobicContact CE2-CB 4.49Å; F95-L119 HydrophobicContact CE2-CD1 4.39Å
96D92.7Very high89.1Confident2 Ų247.3 Ų47.31%0.01124%0.237CC..  trans-14083.6-177.8179.832.2000112.1T94 E98 G99 K100 R101 L119 L120 K121T94-D96 HydrophobicContact CG2-CB 4.5Å; D96-E98 PolarHBondContact O-N 2.81Å; D96-E98 PolarHBondContact OD1-N 3.08Å; D96-G99 PolarHBondContact OD1-N 2.93Å; D96-G99 WeakPolarHBondContact OD2-CA 3.23Å; D96-G99 PolarHBondContact OD2-N 3.32Å; D96-K100 PolarHBondContact OD2-N 3.18Å; D96-R101 HydrophobicContact CB-CB 4.44Å; D96-R101 HydrophobicContact CB-CG 4.43Å; D96-R101 PolarHBondContact OD2-N 3.22Å; D96-L119 PolarHBondContact N-O 3.21Å; D96-L120 HydrophobicContact CB-CD2 4.32Å; D96-L120 CarbonylContact O-C 3.5Å; D96-K121 PolarHBondContact O-N 2.81Å
97P89.9Confident88.8Confident16 Ų1647.5 Ų47.510%0.10424%0.24CC..THydrogen-bonded Turntrans-72.8-18.9177.131.9-36.6000112.7I75 F95 G99 K121I75-P97 HydrophobicContact CG2-CB 3.72Å; F95-P97 HydrophobicContact CD1-CG 4.27Å; F95-P97 HydrophobicContact CE1-CB 4.32Å; F95-P97 HydrophobicContact CE1-CG 3.68Å; F95-P97 HydrophobicContact CZ-CB 4.47Å; F95-P97 HydrophobicContact CZ-CG 4.31Å; P97-G99 VanDerWaalsContact C-N 3.34Å; P97-K121 WeakPolarHBondContact O-CG 3.47Å
98E88.3Confident88.7Confident85 Ų8548.8 Ų48.840%0.39724%0.244SC..THydrogen-bonded Turntrans-79-20.4-178.1-61.7-178.896.700112G83 D96 K100G83-E98 PolarHBondContact N-OE2 2.95Å; D96-E98 PolarHBondContact O-N 2.81Å; D96-E98 PolarHBondContact OD1-N 3.08Å; E98-K100 HydrophobicContact CB-CD 4.28Å; E98-K100 HydrophobicContact CB-CG 4.15Å; E98-K100 IonicContact OE1-NZ 3.82Å; E98-K100 PolarHBondContact OE1-NZ 3.45Å; E98-K100 WeakPolarHBondContact OE2-CE 3.44Å; E98-K100 IonicContact OE2-NZ 3.74Å; E98-K100 PolarHBondContact OE2-NZ 3.15Å
99G86.7Confident88.4Confident44 Ų4450.3 Ų50.345%0.45425%0.251SS..  trans74.833-179.600000113.3D96 P97D96-G99 PolarHBondContact OD1-N 2.93Å; D96-G99 WeakPolarHBondContact OD2-CA 3.23Å; D96-G99 PolarHBondContact OD2-N 3.32Å; P97-G99 VanDerWaalsContact C-N 3.34Å
100K88.3Confident88.3Confident141 Ų14145.8 Ų45.861%0.61323%0.227SC*.  trans-83-23.8176.5-69.9175.7-176.6157.50112.9D96 E98D96-K100 PolarHBondContact OD2-N 3.18Å; E98-K100 HydrophobicContact CB-CD 4.28Å; E98-K100 HydrophobicContact CB-CG 4.15Å; E98-K100 IonicContact OE1-NZ 3.82Å; E98-K100 PolarHBondContact OE1-NZ 3.45Å; E98-K100 WeakPolarHBondContact OE2-CE 3.44Å; E98-K100 IonicContact OE2-NZ 3.74Å; E98-K100 PolarHBondContact OE2-NZ 3.15Å
101R88.3Confident87.8Confident60 Ų6052 Ų5223%0.22626%0.259CS..  trans-107.2139.9-177.8-53.7-162.988.8-151.33.8110.3T94 D96 D105 D109 L120T94-R101 PolarHBondContact OG1-NH1 2.87Å; D96-R101 HydrophobicContact CB-CB 4.44Å; D96-R101 HydrophobicContact CB-CG 4.43Å; D96-R101 PolarHBondContact OD2-N 3.22Å; R101-D105 HydrophobicContact CB-CB 4.4Å; R101-D109 IonicContact CZ-OD2 3.19Å; R101-D109 IonicContact NH1-OD2 2.7Å; R101-D109 PolarHBondContact NH1-OD2 3.39Å; R101-D109 VanDerWaalsContact NH2-CG 3.34Å; R101-D109 IonicContact NH2-OD1 2.68Å; R101-D109 PolarHBondContact NH2-OD1 3.37Å; R101-D109 IonicContact NH2-OD2 2.76Å; R101-D109 PolarHBondContact NH2-OD2 3.03Å; R101-L120 HydrophobicContact CB-CD2 4.47Å
102T87.5Confident87.1Confident72 Ų7254.9 Ų54.944%0.44229%0.292SS..  trans-101.8170.5179.170.10000110.6Q104 D105 V106T102-Q104 PolarHBondContact O-N 2.92Å; T102-Q104 PolarHBondContact OG1-N 2.76Å; T102-D105 WeakPolarHBondContact CB-OD2 3.05Å; T102-D105 PolarHBondContact N-OD2 3.09Å; T102-D105 WeakPolarHBondContact O-CB 3.42Å; T102-D105 PolarHBondContact O-N 2.88Å; T102-D105 VanDerWaalsContact O-N 3.13Å; T102-D105 PolarHBondContact OG1-N 3.48Å; T102-D105 PolarHBondContact OG1-OD2 3.4Å; T102-V106 PolarHBondContact O-N 2.87Å
103R85.2Confident86.7Confident59 Ų5955.1 Ų55.122%0.22329%0.293CS..Hα-helixtrans-49.9-46.1169.3172.9-171.5160.7172.13.1112.1D105 V106 E107 I125 D141 V143 K145R103-D105 PolarHBondContact O-N 3.4Å; R103-V106 PolarHBondContact O-N 2.61Å; R103-E107 IonicContact NE-OE2 3.74Å; R103-E107 IonicContact NH2-OE2 3.75Å; R103-E107 WeakPolarHBondContact O-CB 3.23Å; R103-E107 PolarHBondContact O-N 2.73Å; R103-I125 HydrophobicContact CB-CD1 4.39Å; R103-I125 HydrophobicContact CG-CD1 4.38Å; R103-D141 IonicContact CZ-OD1 2.98Å; R103-D141 IonicContact CZ-OD2 2.77Å; R103-D141 IonicContact NH1-OD1 3.55Å; R103-D141 IonicContact NH1-OD2 2.73Å; R103-D141 PolarHBondContact NH1-OD2 3.27Å; R103-D141 IonicContact NH2-OD1 2.73Å; R103-D141 PolarHBondContact NH2-OD1 3.25Å; R103-D141 IonicContact NH2-OD2 3.88Å; R103-D141 PolarHBondContact NH2-OD2 3.05Å; R103-V143 HydrophobicContact CG-CG1 4.24Å; R103-V143 HydrophobicContact CG-CG2 4.42Å; R103-K145 VanDerWaalsContact NH1-CE 3.32Å
104Q87.1Confident86.2Confident132 Ų13258.8 Ų58.862%0.61731%0.307SS*.Hα-helixtrans-64.6-29.5-175.9-69.8-178-7.100112T102 K108T102-Q104 PolarHBondContact O-N 2.92Å; T102-Q104 PolarHBondContact OG1-N 2.76Å; Q104-K108 WeakPolarHBondContact O-CB 3.4Å; Q104-K108 VanDerWaalsContact O-CG 3.26Å; Q104-K108 WeakPolarHBondContact O-CG 3.47Å; Q104-K108 PolarHBondContact O-N 2.92Å; Q104-K108 VanDerWaalsContact O-N 3.08Å
105D87.7Confident85.9Confident50 Ų5061.3 Ų61.327%0.26732%0.318SS..Hα-helixtrans-70.8-45.7177.1-56.1-49.4000110.7R101 T102 R103 E107 K108 D109R101-D105 HydrophobicContact CB-CB 4.4Å; T102-D105 WeakPolarHBondContact CB-OD2 3.05Å; T102-D105 PolarHBondContact N-OD2 3.09Å; T102-D105 WeakPolarHBondContact O-CB 3.42Å; T102-D105 PolarHBondContact O-N 2.88Å; T102-D105 VanDerWaalsContact O-N 3.13Å; T102-D105 PolarHBondContact OG1-N 3.48Å; T102-D105 PolarHBondContact OG1-OD2 3.4Å; R103-D105 PolarHBondContact O-N 3.4Å; D105-E107 VanDerWaalsContact C-N 3.28Å; D105-E107 PolarHBondContact O-N 3.45Å; D105-K108 PolarHBondContact O-N 3.25Å; D105-D109 VanDerWaalsContact O-CG 3.22Å; D105-D109 PolarHBondContact O-N 3.34Å; D105-D109 VanDerWaalsContact O-N 3.12Å
106V87Confident85.8Confident0 Ų061.2 Ų61.20%032%0.318CS..Hα-helixtrans-65.1-33.9177.5-176.70000111.7T94 T102 R103 D109 S116 L120 I125 V127T94-V106 HydrophobicContact CG2-CG2 4.09Å; T102-V106 PolarHBondContact O-N 2.87Å; R103-V106 PolarHBondContact O-N 2.61Å; V106-D109 PolarHBondContact O-N 3.22Å; V106-S116 VanDerWaalsContact CG1-OG 3.3Å; V106-S116 WeakPolarHBondContact CG1-OG 3.31Å; V106-L120 HydrophobicContact CG2-CD2 4.09Å; V106-I125 HydrophobicContact CB-CD1 3.76Å; V106-I125 HydrophobicContact CG1-CD1 3.9Å; V106-I125 HydrophobicContact CG1-CG1 4.35Å; V106-I125 HydrophobicContact CG2-CD1 3.97Å; V106-V127 HydrophobicContact CB-CG2 4.46Å; V106-V127 HydrophobicContact CG1-CG2 3.85Å
107E86.8Confident85.8Confident62 Ų6262.8 Ų62.829%0.2933%0.327SS..Hα-helixtrans-68.8-40.2176.2-171.4172.4167.900112.1R103 D105 D109 L110 V127 N142R103-E107 IonicContact NE-OE2 3.74Å; R103-E107 IonicContact NH2-OE2 3.75Å; R103-E107 WeakPolarHBondContact O-CB 3.23Å; R103-E107 PolarHBondContact O-N 2.73Å; D105-E107 VanDerWaalsContact C-N 3.28Å; D105-E107 PolarHBondContact O-N 3.45Å; E107-D109 VanDerWaalsContact C-N 3.3Å; E107-D109 PolarHBondContact O-N 2.99Å; E107-L110 PolarHBondContact O-N 3.1Å; E107-V127 HydrophobicContact CB-CG1 4.26Å; E107-V127 HydrophobicContact CG-CG1 3.99Å; E107-N142 PolarHBondContact OE1-ND2 3.5Å; E107-N142 PolarHBondContact OE1-OD1 3.35Å
108K86.5Confident85.9Confident146 Ų14662 Ų6264%0.63532%0.322SS*.Hα-helixtrans-66.8-29.3175.1-76.9172.9-177.2174.10113.5Q104 D105 L110Q104-K108 WeakPolarHBondContact O-CB 3.4Å; Q104-K108 VanDerWaalsContact O-CG 3.26Å; Q104-K108 WeakPolarHBondContact O-CG 3.47Å; Q104-K108 PolarHBondContact O-N 2.92Å; Q104-K108 VanDerWaalsContact O-N 3.08Å; D105-K108 PolarHBondContact O-N 3.25Å; K108-L110 PolarHBondContact O-N 3.27Å
109D85.1Confident86.1Confident40 Ų4058.3 Ų58.321%0.21431%0.305CS..Hα-helixtrans-68.1-22.8178.9-65.4-23.9000112.2I92 R101 D105 V106 E107 I111I92-D109 HydrophobicContact CD1-CB 4.26Å; I92-D109 WeakPolarHBondContact CD1-O 3.49Å; R101-D109 IonicContact CZ-OD2 3.19Å; R101-D109 IonicContact NH1-OD2 2.7Å; R101-D109 PolarHBondContact NH1-OD2 3.39Å; R101-D109 VanDerWaalsContact NH2-CG 3.34Å; R101-D109 IonicContact NH2-OD1 2.68Å; R101-D109 PolarHBondContact NH2-OD1 3.37Å; R101-D109 IonicContact NH2-OD2 2.76Å; R101-D109 PolarHBondContact NH2-OD2 3.03Å; D105-D109 VanDerWaalsContact O-CG 3.22Å; D105-D109 PolarHBondContact O-N 3.34Å; D105-D109 VanDerWaalsContact O-N 3.12Å; V106-D109 PolarHBondContact O-N 3.22Å; E107-D109 VanDerWaalsContact C-N 3.3Å; E107-D109 PolarHBondContact O-N 2.99Å; D109-I111 PolarHBondContact O-N 3.02Å
110L82.7Confident86.4Confident31 Ų3156.4 Ų56.416%0.16228%0.284CS..  trans-71.887.4-177.1-171.271000111.4E107 K108 N113 V127 P129E107-L110 PolarHBondContact O-N 3.1Å; K108-L110 PolarHBondContact O-N 3.27Å; L110-N113 HydrophobicContact CD1-CB 4.1Å; L110-V127 HydrophobicContact CB-CG1 4.41Å; L110-V127 HydrophobicContact CD2-CB 4.38Å; L110-V127 HydrophobicContact CD2-CG1 3.75Å; L110-P129 HydrophobicContact CD2-CB 4.11Å
111I75.4Confident86.6Confident131 Ų13153.1 Ų53.167%0.67227%0.27SS*.SBendtrans-123104.9178.5-55.5175.8000109.1D109 N113D109-I111 PolarHBondContact O-N 3.02Å; I111-N113 PolarHBondContact O-N 3.44Å; I111-N113 VanDerWaalsContact O-N 3.16Å; I111-N113 PolarHBondContact O-OD1 3.18Å
112G75Confident86.7Confident73 Ų7354.4 Ų54.475%0.75328%0.281SS*.SBendtrans79.6-15.3173.800000116
113N82Confident87Confident6 Ų653.4 Ų53.43%0.03227%0.272CS..SBendtrans-78.8159.4175.2-64.6105.1000112.8Q87 T88 D89 I92 L110 I111Q87-N113 PolarHBondContact NE2-OD1 2.82Å; T88-N113 PolarHBondContact O-ND2 3.41Å; D89-N113 PolarHBondContact O-ND2 3.43Å; I92-N113 HydrophobicContact CD1-CB 4.36Å; I92-N113 WeakPolarHBondContact CD1-OD1 3.3Å; I92-N113 HydrophobicContact CG1-CB 4.18Å; I92-N113 WeakPolarHBondContact CG1-OD1 3.46Å; L110-N113 HydrophobicContact CD1-CB 4.1Å; I111-N113 PolarHBondContact O-N 3.44Å; I111-N113 VanDerWaalsContact O-N 3.16Å; I111-N113 PolarHBondContact O-OD1 3.18Å
114Y82.2Confident87.4Confident83 Ų8351 Ų5133%0.32527%0.265SS..SBendtrans-72.9-34.3-180-62.1-45.3000113.6V50 Q53 L54 S90 P129V50-Y114 HydrophobicContact CB-CE2 4.39Å; V50-Y114 HydrophobicContact CG1-CD2 3.89Å; V50-Y114 HydrophobicContact CG1-CE1 4.36Å; V50-Y114 HydrophobicContact CG1-CE2 3.61Å; V50-Y114 HydrophobicContact CG1-CG 4.49Å; V50-Y114 HydrophobicContact CG2-CE1 4.48Å; V50-Y114 HydrophobicContact CG2-CE2 4.35Å; Q53-Y114 PolarHBondContact OE1-OH 3.49Å; L54-Y114 HydrophobicContact CD2-CD2 4.06Å; L54-Y114 HydrophobicContact CG-CD2 4.28Å; S90-Y114 VanDerWaalsContact CB-CD2 3.46Å; S90-Y114 PolarHBondContact O-N 3.45Å; S90-Y114 WeakPolarHBondContact OG-CE2 3.47Å; Y114-P129 WeakPolarHBondContact O-CD 3.48Å; Y114-P129 WeakPolarHBondContact O-CG 2.98Å
115F86.9Confident87.6Confident53 Ų5344.8 Ų44.823%0.23224%0.235CC..EExtended strand (participates in β ladder)trans-163.8162.2171.756.8-92.8000112.4L54 S90 I91 I92 V117 V127 L128L54-F115 HydrophobicContact CD1-CE1 4.17Å; L54-F115 HydrophobicContact CD2-CD1 4.27Å; L54-F115 HydrophobicContact CD2-CE1 3.35Å; L54-F115 HydrophobicContact CD2-CZ 3.82Å; L54-F115 HydrophobicContact CG-CE1 4.41Å; S90-F115 PolarHBondContact O-N 3.08Å; I91-F115 WeakPolarHBondContact CA-O 3.23Å; I91-F115 HydrophobicContact CB-CE2 4.28Å; I91-F115 HydrophobicContact CD1-CE1 4.38Å; I91-F115 HydrophobicContact CD1-CE2 3.95Å; I91-F115 HydrophobicContact CD1-CZ 3.56Å; I91-F115 HydrophobicContact CG1-CD2 4.44Å; I91-F115 HydrophobicContact CG1-CE1 4.06Å; I91-F115 HydrophobicContact CG1-CE2 3.76Å; I91-F115 HydrophobicContact CG1-CZ 3.55Å; I91-F115 HydrophobicContact CG2-CD2 4.04Å; I91-F115 HydrophobicContact CG2-CE2 3.63Å; I91-F115 HydrophobicContact CG2-CZ 4.31Å; I92-F115 PolarHBondContact N-O 2.91Å; I92-F115 VanDerWaalsContact N-O 3.13Å; F115-V117 HydrophobicContact CD2-CG2 3.82Å; F115-V117 HydrophobicContact CE2-CG2 3.81Å; F115-V127 WeakPolarHBondContact CA-O 3.4Å; F115-V127 WeakPolarHBondContact CB-O 3.25Å; F115-L128 HydrophobicContact CB-CD2 4.1Å
116S90.9Very high87.8Confident0 Ų045 Ų450%024%0.236CC..EExtended strand (participates in β ladder)trans-119.7132.4174.9-178.50000110.3I92 V106 I126 V127I92-S116 CarbonylContact O-C 3.59Å; I92-S116 WeakPolarHBondContact O-CA 3.5Å; V106-S116 VanDerWaalsContact CG1-OG 3.3Å; V106-S116 WeakPolarHBondContact CG1-OG 3.31Å; S116-I126 CarbonylContact O-C 3.4Å; S116-I126 WeakPolarHBondContact O-CA 3.25Å; S116-V127 PolarHBondContact N-O 2.95Å; S116-V127 PolarHBondContact O-N 3.31Å
117V91.9Very high88Confident35 Ų3545 Ų4521%0.21224%0.236CC..EExtended strand (participates in β ladder)trans-108.5116.8176.4-177.30000108.4I91 I92 L93 T94 F115 I125I91-V117 HydrophobicContact CG2-CG2 4.41Å; I92-V117 PolarHBondContact O-N 3.01Å; L93-V117 CarbonylContact C-O 3.39Å; L93-V117 WeakPolarHBondContact CA-O 3.43Å; L93-V117 HydrophobicContact CD1-CB 4.4Å; L93-V117 HydrophobicContact CD1-CG1 4.35Å; T94-V117 PolarHBondContact N-O 2.84Å; F115-V117 HydrophobicContact CD2-CG2 3.82Å; F115-V117 HydrophobicContact CE2-CG2 3.81Å; V117-I125 WeakPolarHBondContact CA-O 3.39Å
118G92.2Very high88Confident0 Ų044 Ų440%023%0.232CC..EExtended strand (participates in β ladder)trans-105.5109.6174.600000111.5T94 L120 A124 I125T94-G118 CarbonylContact O-C 3.55Å; T94-G118 WeakPolarHBondContact O-CA 3.13Å; G118-L120 PolarHBondContact O-N 2.83Å; G118-A124 CarbonylContact O-C 3.58Å; G118-A124 VanDerWaalsContact O-CA 3.27Å; G118-A124 WeakPolarHBondContact O-CA 3.26Å; G118-I125 PolarHBondContact N-O 3.06Å; G118-I125 PolarHBondContact O-N 3.44Å
119L93.5Very high87.7Confident6 Ų638.5 Ų38.53%0.03121%0.212CC..EExtended strand (participates in β ladder)trans-88.683.2165.2-61.9-180000108.2F68 I75 L93 T94 F95 D96 A124 M156 L161F68-L119 HydrophobicContact CE1-CD1 4.2Å; F68-L119 HydrophobicContact CZ-CD1 4.45Å; I75-L119 HydrophobicContact CD1-CB 4.34Å; L93-L119 HydrophobicContact CD1-CD1 4.21Å; L93-L119 HydrophobicContact CD1-CG 4.31Å; T94-L119 PolarHBondContact O-N 2.83Å; F95-L119 HydrophobicContact CD2-CB 3.86Å; F95-L119 HydrophobicContact CD2-CD1 3.91Å; F95-L119 HydrophobicContact CE2-CB 4.49Å; F95-L119 HydrophobicContact CE2-CD1 4.39Å; D96-L119 PolarHBondContact N-O 3.21Å; L119-A124 HydrophobicContact CD2-CB 4.05Å; L119-M156 HydrophobicContact CD2-CE 4.22Å; L119-L161 HydrophobicContact CD1-CD2 3.86Å
120L92.8Very high87.2Confident5 Ų540.1 Ų40.13%0.02622%0.221CC..  trans-82.7176.9179.2-54.8-178.9000110.4D96 R101 V106 G118 D122 Q123 I125 Y148D96-L120 HydrophobicContact CB-CD2 4.32Å; D96-L120 CarbonylContact O-C 3.5Å; R101-L120 HydrophobicContact CB-CD2 4.47Å; V106-L120 HydrophobicContact CG2-CD2 4.09Å; G118-L120 PolarHBondContact O-N 2.83Å; L120-D122 PolarHBondContact O-N 3.25Å; L120-Q123 CarbonylContact C-O 3.53Å; L120-Q123 WeakPolarHBondContact CA-O 3.43Å; L120-Q123 HydrophobicContact CB-CG 4.3Å; L120-Q123 WeakPolarHBondContact CB-O 3.34Å; L120-Q123 HydrophobicContact CD1-CG 4.24Å; L120-Q123 PolarHBondContact N-O 3.01Å; L120-I125 HydrophobicContact CD1-CD1 3.98Å; L120-I125 HydrophobicContact CD1-CG1 4.39Å; L120-Y148 WeakPolarHBondContact O-CE2 3.4Å; L120-Y148 PolarHBondContact O-OH 3.23Å
121K91.4Very high86.6Confident72 Ų7245.9 Ų45.931%0.31324%0.241SC..SBendtrans-56.7-46-177.2-177.2175175.2-174.40113.8E74 I75 D96 P97E74-K121 CarbonylContact C-O 3.59Å; E74-K121 WeakPolarHBondContact CA-O 3.27Å; E74-K121 VanDerWaalsContact CD-CE 3.47Å; E74-K121 HydrophobicContact CG-CG 4.48Å; E74-K121 VanDerWaalsContact OE1-CE 3.31Å; E74-K121 WeakPolarHBondContact OE1-CE 3.45Å; E74-K121 IonicContact OE1-NZ 4Å; E74-K121 WeakPolarHBondContact OE2-CE 3.44Å; I75-K121 PolarHBondContact N-O 2.82Å; D96-K121 PolarHBondContact O-N 2.81Å; P97-K121 WeakPolarHBondContact O-CG 3.47Å
122D91.8Very high86Confident86 Ų8643.6 Ų43.646%0.4625%0.25SS..SBendtrans-118-6.3-169.567-34.5000114.2L120 Y148L120-D122 PolarHBondContact O-N 3.25Å; D122-Y148 WeakPolarHBondContact O-CD2 3.29Å
123Q92.6Very high85.6Confident51 Ų5141.3 Ų41.324%0.23823%0.226CC..EExtended strand (participates in β ladder)trans-153.6157.7-178.363.5-168.4-39.600112.2L120 I125 Y148L120-Q123 CarbonylContact C-O 3.53Å; L120-Q123 WeakPolarHBondContact CA-O 3.43Å; L120-Q123 HydrophobicContact CB-CG 4.3Å; L120-Q123 WeakPolarHBondContact CB-O 3.34Å; L120-Q123 HydrophobicContact CD1-CG 4.24Å; L120-Q123 PolarHBondContact N-O 3.01Å; Q123-I125 HydrophobicContact CG-CG2 4.22Å; Q123-Y148 PolarHBondContact O-OH 3.49Å
124A93.3Very high84.9Confident9 Ų945.2 Ų45.27%0.07425%0.25CS..EExtended strand (participates in β ladder)trans-103.8138.1164.400000109.5G118 L119 F146 Y148 L153G118-A124 CarbonylContact O-C 3.58Å; G118-A124 VanDerWaalsContact O-CA 3.27Å; G118-A124 WeakPolarHBondContact O-CA 3.26Å; L119-A124 HydrophobicContact CD2-CB 4.05Å; A124-F146 PolarHBondContact N-O 3.3Å; A124-F146 PolarHBondContact O-N 3.14Å; A124-Y148 HydrophobicContact CB-CE1 3.98Å; A124-L153 HydrophobicContact CB-CD2 4.35Å
125I92.8Very high84.4Confident1 Ų141.8 Ų41.81%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-127.1146.317761.3173.4000111.3R103 V106 V117 G118 L120 Q123 V127 V143 L144 K145R103-I125 HydrophobicContact CB-CD1 4.39Å; R103-I125 HydrophobicContact CG-CD1 4.38Å; V106-I125 HydrophobicContact CB-CD1 3.76Å; V106-I125 HydrophobicContact CG1-CD1 3.9Å; V106-I125 HydrophobicContact CG1-CG1 4.35Å; V106-I125 HydrophobicContact CG2-CD1 3.97Å; V117-I125 WeakPolarHBondContact CA-O 3.39Å; G118-I125 PolarHBondContact N-O 3.06Å; G118-I125 PolarHBondContact O-N 3.44Å; L120-I125 HydrophobicContact CD1-CD1 3.98Å; L120-I125 HydrophobicContact CD1-CG1 4.39Å; Q123-I125 HydrophobicContact CG-CG2 4.22Å; I125-V127 HydrophobicContact CD1-CG2 4.43Å; I125-V143 HydrophobicContact CB-CG1 3.97Å; I125-V143 HydrophobicContact CG2-CG1 4.25Å; I125-L144 CarbonylContact C-O 3.47Å; I125-L144 VanDerWaalsContact CA-O 3.28Å; I125-L144 WeakPolarHBondContact CA-O 3.3Å; I125-K145 HydrophobicContact CG2-CG 4.15Å
126I91.3Very high83.8Confident54 Ų5441.4 Ų41.428%0.27724%0.242SC..EExtended strand (participates in β ladder)trans-119.4118.9168.3-58.5175.8000107.2S116 L128 V143 L144 F146S116-I126 CarbonylContact O-C 3.4Å; S116-I126 WeakPolarHBondContact O-CA 3.25Å; I126-L128 HydrophobicContact CG2-CD2 4.16Å; I126-V143 CarbonylContact O-C 3.43Å; I126-V143 WeakPolarHBondContact O-CA 3.28Å; I126-L144 HydrophobicContact CB-CB 4.34Å; I126-L144 PolarHBondContact N-O 3.2Å; I126-L144 PolarHBondContact O-N 2.9Å; I126-F146 HydrophobicContact CB-CE2 4.49Å; I126-F146 HydrophobicContact CD1-CE2 3.81Å; I126-F146 HydrophobicContact CD1-CZ 4.39Å; I126-F146 HydrophobicContact CG1-CE2 3.99Å
127V90.3Very high83Confident1 Ų145.5 Ų45.51%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-98124.2175.1-172.70000108.3V106 E107 L110 F115 S116 I125 V143V106-V127 HydrophobicContact CB-CG2 4.46Å; V106-V127 HydrophobicContact CG1-CG2 3.85Å; E107-V127 HydrophobicContact CB-CG1 4.26Å; E107-V127 HydrophobicContact CG-CG1 3.99Å; L110-V127 HydrophobicContact CB-CG1 4.41Å; L110-V127 HydrophobicContact CD2-CB 4.38Å; L110-V127 HydrophobicContact CD2-CG1 3.75Å; F115-V127 WeakPolarHBondContact CA-O 3.4Å; F115-V127 WeakPolarHBondContact CB-O 3.25Å; S116-V127 PolarHBondContact N-O 2.95Å; S116-V127 PolarHBondContact O-N 3.31Å; I125-V127 HydrophobicContact CD1-CG2 4.43Å; V127-V143 HydrophobicContact CB-CG2 4.45Å; V127-V143 HydrophobicContact CG1-CG2 4.16Å; V127-V143 HydrophobicContact CG2-CG1 4.38Å; V127-V143 HydrophobicContact CG2-CG2 4.03Å
128L87.3Confident82.1Confident40 Ų4050 Ų5021%0.20930%0.298CS..PPolyproline II helixtrans-103.1145.6175.2-60.5173.8000110F115 I126 D130 F139 N142 L144F115-L128 HydrophobicContact CB-CD2 4.1Å; I126-L128 HydrophobicContact CG2-CD2 4.16Å; L128-D130 PolarHBondContact O-N 3.13Å; L128-F139 HydrophobicContact CD1-CD2 4.23Å; L128-F139 HydrophobicContact CD1-CE2 3.92Å; L128-N142 PolarHBondContact N-O 3.26Å; L128-L144 HydrophobicContact CD1-CD1 4.38Å
129P81.3Confident81.4Confident32 Ų3255.5 Ų55.521%0.20832%0.322CS..PPolyproline II helixtrans-69.2131.6173.726.5-32.3000109.7L110 Y114 Y131L110-P129 HydrophobicContact CD2-CB 4.11Å; Y114-P129 WeakPolarHBondContact O-CD 3.48Å; Y114-P129 WeakPolarHBondContact O-CG 2.98Å; P129-Y131 VanDerWaalsContact C-N 3.29Å; P129-Y131 HydrophobicContact CB-CD2 3.96Å; P129-Y131 HydrophobicContact CB-CE1 4.43Å; P129-Y131 HydrophobicContact CB-CE2 3.55Å; P129-Y131 HydrophobicContact CG-CD2 3.8Å; P129-Y131 HydrophobicContact CG-CE2 3.26Å; P129-Y131 PolarHBondContact O-N 3.39Å
130D74.7Confident80.8Confident74 Ų7458.4 Ų58.440%0.39635%0.354SS..  trans-8670.7179.2-158.725000111.3L128 G132 G133 S135 S136 N142L128-D130 PolarHBondContact O-N 3.13Å; D130-G132 PolarHBondContact O-N 2.95Å; D130-G133 WeakPolarHBondContact OD1-CA 3.33Å; D130-G133 PolarHBondContact OD1-N 3.2Å; D130-S135 PolarHBondContact OD1-OG 3.19Å; D130-S136 PolarHBondContact OD1-OG 2.87Å; D130-S136 PolarHBondContact OD2-OG 2.9Å; D130-N142 HydrophobicContact CB-CB 4.44Å
131Y68.3Low80.3Confident152 Ų15260.5 Ų60.560%0.59637%0.365SS*.SBendtrans-69.296.3173.8-63.5-64000110P129 G133P129-Y131 VanDerWaalsContact C-N 3.29Å; P129-Y131 HydrophobicContact CB-CD2 3.96Å; P129-Y131 HydrophobicContact CB-CE1 4.43Å; P129-Y131 HydrophobicContact CB-CE2 3.55Å; P129-Y131 HydrophobicContact CG-CD2 3.8Å; P129-Y131 HydrophobicContact CG-CE2 3.26Å; P129-Y131 PolarHBondContact O-N 3.39Å; Y131-G133 VanDerWaalsContact C-N 3.32Å; Y131-G133 PolarHBondContact O-N 3.24Å
132G63.3Low80Confident83 Ų8358.3 Ų58.386%0.85636%0.357SS*.THydrogen-bonded Turntrans68.225.6173.700000114.8D130 V134D130-G132 PolarHBondContact O-N 2.95Å; G132-V134 VanDerWaalsContact C-N 3.35Å; G132-V134 PolarHBondContact O-N 3.28Å
133G66.1Low79.8Confident24 Ų2454.5 Ų54.525%0.24734%0.337CS..THydrogen-bonded Turntrans81.26.5175.500000115.3D130 Y131 S136 A137D130-G133 WeakPolarHBondContact OD1-CA 3.33Å; D130-G133 PolarHBondContact OD1-N 3.2Å; Y131-G133 VanDerWaalsContact C-N 3.32Å; Y131-G133 PolarHBondContact O-N 3.24Å; G133-S136 WeakPolarHBondContact CA-OG 3.39Å; G133-S136 PolarHBondContact O-OG 3.12Å; G133-A137 VanDerWaalsContact O-CB 3.24Å; G133-A137 WeakPolarHBondContact O-CB 3.45Å; G133-A137 PolarHBondContact O-N 3.36Å
134V69Low79.7Confident89 Ų8954.4 Ų54.454%0.53934%0.338SS..Hα-helixtrans-66.6-43.1-175.7177.20000111.4G132 A137 L138G132-V134 VanDerWaalsContact C-N 3.35Å; G132-V134 PolarHBondContact O-N 3.28Å; V134-A137 PolarHBondContact O-N 3.44Å; V134-L138 HydrophobicContact CG1-CD1 3.9Å; V134-L138 WeakPolarHBondContact O-CB 3.47Å; V134-L138 WeakPolarHBondContact O-CG 3.33Å; V134-L138 PolarHBondContact O-N 2.73Å
135S69.8Low79.5Confident11 Ų1159.3 Ų59.38%0.07736%0.357CS..Hα-helixtrans-64.5-45.1178.553.30000112D130 A137 L138 F139D130-S135 PolarHBondContact OD1-OG 3.19Å; S135-A137 VanDerWaalsContact C-N 3.35Å; S135-A137 PolarHBondContact O-N 3.37Å; S135-L138 PolarHBondContact O-N 3.17Å; S135-F139 WeakPolarHBondContact O-CD2 3.06Å; S135-F139 PolarHBondContact O-N 2.81Å
136S76.1Confident79.5Confident45 Ų4563.2 Ų63.232%0.31537%0.374SS..Hα-helixtrans-65.7-36.6177.947.80000112D130 G133 G140D130-S136 PolarHBondContact OD1-OG 2.87Å; D130-S136 PolarHBondContact OD2-OG 2.9Å; G133-S136 WeakPolarHBondContact CA-OG 3.39Å; G133-S136 PolarHBondContact O-OG 3.12Å; S136-G140 CarbonylContact O-C 3.56Å; S136-G140 WeakPolarHBondContact O-CA 2.88Å; S136-G140 PolarHBondContact O-N 3.44Å
137A72.6Confident79.5Confident86 Ų8662.7 Ų62.771%0.71138%0.375SS*.Hα-helixtrans-67.9-37.417500000113.7G133 V134 S135G133-A137 VanDerWaalsContact O-CB 3.24Å; G133-A137 WeakPolarHBondContact O-CB 3.45Å; G133-A137 PolarHBondContact O-N 3.36Å; V134-A137 PolarHBondContact O-N 3.44Å; S135-A137 VanDerWaalsContact C-N 3.35Å; S135-A137 PolarHBondContact O-N 3.37Å
138L73.1Confident79.6Confident128 Ų12862.6 Ų62.667%0.6738%0.375SS*.Hα-helixtrans-81-40.2-177.8-73.6173.3000113.3V134 S135V134-L138 HydrophobicContact CG1-CD1 3.9Å; V134-L138 WeakPolarHBondContact O-CB 3.47Å; V134-L138 WeakPolarHBondContact O-CG 3.33Å; V134-L138 PolarHBondContact O-N 2.73Å; S135-L138 PolarHBondContact O-N 3.17Å
139F77.7Confident79.7Confident116 Ų11668.1 Ų68.151%0.50940%0.397SS..Hα-helixtrans-110.9-4.8-172.4-55.9-63.1000113.7L128 S135 D141 L144L128-F139 HydrophobicContact CD1-CD2 4.23Å; L128-F139 HydrophobicContact CD1-CE2 3.92Å; S135-F139 WeakPolarHBondContact O-CD2 3.06Å; S135-F139 PolarHBondContact O-N 2.81Å; F139-D141 PolarHBondContact O-N 2.78Å; F139-L144 HydrophobicContact CB-CD2 3.97Å; F139-L144 HydrophobicContact CD1-CD2 4.06Å; F139-L144 HydrophobicContact CD2-CD2 4.32Å; F139-L144 HydrophobicContact CG-CD2 3.86Å
140G80.5Confident80Confident68 Ų6872.9 Ų72.970%0.70142%0.417SS*.SBendtrans75.7-10.1-173.600000114.1S136S136-G140 CarbonylContact O-C 3.56Å; S136-G140 WeakPolarHBondContact O-CA 2.88Å; S136-G140 PolarHBondContact O-N 3.44Å
141D82.5Confident80.6Confident49 Ų4975 Ų7526%0.26242%0.424SS..SBendtrans-156.8152.5-177.2-156.7-4.3000109R103 F139 V143R103-D141 IonicContact CZ-OD1 2.98Å; R103-D141 IonicContact CZ-OD2 2.77Å; R103-D141 IonicContact NH1-OD1 3.55Å; R103-D141 IonicContact NH1-OD2 2.73Å; R103-D141 PolarHBondContact NH1-OD2 3.27Å; R103-D141 IonicContact NH2-OD1 2.73Å; R103-D141 PolarHBondContact NH2-OD1 3.25Å; R103-D141 IonicContact NH2-OD2 3.88Å; R103-D141 PolarHBondContact NH2-OD2 3.05Å; F139-D141 PolarHBondContact O-N 2.78Å; D141-V143 VanDerWaalsContact C-N 3.26Å
142N84.6Confident81.5Confident26 Ų2672.9 Ų72.914%0.13943%0.429CS..SBendtrans-82.2-6.217463.8-18.1000112.6E107 L128 D130E107-N142 PolarHBondContact OE1-ND2 3.5Å; E107-N142 PolarHBondContact OE1-OD1 3.35Å; L128-N142 PolarHBondContact N-O 3.26Å; D130-N142 HydrophobicContact CB-CB 4.44Å
143V88.9Confident82.6Confident6 Ų670.2 Ų70.24%0.03640%0.395CS..EExtended strand (participates in β ladder)trans-115.1117.1179.4-175.80000111.2R103 I125 I126 V127 D141 K145R103-V143 HydrophobicContact CG-CG1 4.24Å; R103-V143 HydrophobicContact CG-CG2 4.42Å; I125-V143 HydrophobicContact CB-CG1 3.97Å; I125-V143 HydrophobicContact CG2-CG1 4.25Å; I126-V143 CarbonylContact O-C 3.43Å; I126-V143 WeakPolarHBondContact O-CA 3.28Å; V127-V143 HydrophobicContact CB-CG2 4.45Å; V127-V143 HydrophobicContact CG1-CG2 4.16Å; V127-V143 HydrophobicContact CG2-CG1 4.38Å; V127-V143 HydrophobicContact CG2-CG2 4.03Å; D141-V143 VanDerWaalsContact C-N 3.26Å; V143-K145 HydrophobicContact CG1-CG 4.29Å
144L89.4Confident83.7Confident49 Ų4975 Ų7526%0.25741%0.409SS..EExtended strand (participates in β ladder)trans-86.2125170.9-57.5178.4000109.6I125 I126 L128 F139 F146I125-L144 CarbonylContact C-O 3.47Å; I125-L144 VanDerWaalsContact CA-O 3.28Å; I125-L144 WeakPolarHBondContact CA-O 3.3Å; I126-L144 HydrophobicContact CB-CB 4.34Å; I126-L144 PolarHBondContact N-O 3.2Å; I126-L144 PolarHBondContact O-N 2.9Å; L128-L144 HydrophobicContact CD1-CD1 4.38Å; F139-L144 HydrophobicContact CB-CD2 3.97Å; F139-L144 HydrophobicContact CD1-CD2 4.06Å; F139-L144 HydrophobicContact CD2-CD2 4.32Å; F139-L144 HydrophobicContact CG-CD2 3.86Å; L144-F146 HydrophobicContact CB-CE2 3.69Å; L144-F146 HydrophobicContact CB-CZ 3.88Å; L144-F146 HydrophobicContact CD1-CZ 4.45Å
145K90Very high84.6Confident111 Ų11173.1 Ų73.148%0.48340%0.4SS..EExtended strand (participates in β ladder)trans-109.7132.9-176.4-61.8174.9-174.8169.10110.7R103 I125 V143R103-K145 VanDerWaalsContact NH1-CE 3.32Å; I125-K145 HydrophobicContact CG2-CG 4.15Å; V143-K145 HydrophobicContact CG1-CG 4.29Å
146F92Very high85.6Confident83 Ų8373.8 Ų73.836%0.36440%0.402SS..EExtended strand (participates in β ladder)trans-130.4121.3178.2-50.6-88.8000110.3A124 I126 L144 L153A124-F146 PolarHBondContact N-O 3.3Å; A124-F146 PolarHBondContact O-N 3.14Å; I126-F146 HydrophobicContact CB-CE2 4.49Å; I126-F146 HydrophobicContact CD1-CE2 3.81Å; I126-F146 HydrophobicContact CD1-CZ 4.39Å; I126-F146 HydrophobicContact CG1-CE2 3.99Å; L144-F146 HydrophobicContact CB-CE2 3.69Å; L144-F146 HydrophobicContact CB-CZ 3.88Å; L144-F146 HydrophobicContact CD1-CZ 4.45Å; F146-L153 HydrophobicContact CB-CD1 3.19Å; F146-L153 HydrophobicContact CG-CD1 4.21Å
147S91.6Very high86.3Confident43 Ų4373.5 Ų73.530%0.30140%0.398SS..EExtended strand (participates in β ladder)trans-82.7134.5178.8-177.80000110.8K149 Q150S147-K149 PolarHBondContact O-N 3.5Å; S147-K149 PolarHBondContact OG-N 3.47Å; S147-Q150 PolarHBondContact O-N 3.26Å; S147-Q150 VanDerWaalsContact O-N 3.11Å
148Y91.9Very high87.2Confident0 Ų069.4 Ų69.40%037%0.365CS..THydrogen-bonded Turntrans-63.4-9.8171.5-66-47000114.2I70 I75 L120 D122 Q123 A124 Q150 L153 K154 M156I70-Y148 HydrophobicContact CD1-CD1 3.51Å; I70-Y148 HydrophobicContact CD1-CD2 4.04Å; I70-Y148 HydrophobicContact CD1-CE1 3.7Å; I70-Y148 HydrophobicContact CD1-CE2 4.18Å; I70-Y148 HydrophobicContact CD1-CG 3.74Å; I70-Y148 HydrophobicContact CG1-CD1 3.93Å; I70-Y148 HydrophobicContact CG1-CE1 4.46Å; I70-Y148 HydrophobicContact CG1-CG 4.25Å; I70-Y148 HydrophobicContact CG2-CG 4.26Å; I75-Y148 HydrophobicContact CB-CE2 4.2Å; L120-Y148 WeakPolarHBondContact O-CE2 3.4Å; L120-Y148 PolarHBondContact O-OH 3.23Å; D122-Y148 WeakPolarHBondContact O-CD2 3.29Å; Q123-Y148 PolarHBondContact O-OH 3.49Å; A124-Y148 HydrophobicContact CB-CE1 3.98Å; Y148-Q150 VanDerWaalsContact C-N 3.28Å; Y148-L153 HydrophobicContact CD1-CB 4.16Å; Y148-L153 HydrophobicContact CD1-CD2 4.18Å; Y148-L153 HydrophobicContact CE1-CD2 4.21Å; Y148-K154 WeakPolarHBondContact O-CA 3.33Å; Y148-K154 WeakPolarHBondContact O-CB 3.48Å; Y148-K154 PolarHBondContact O-N 3.37Å; Y148-M156 HydrophobicContact CD1-CE 4.46Å; Y148-M156 HydrophobicContact CE1-CE 3.84Å
149K89.6Confident88Confident155 Ų15567.9 Ų67.967%0.67436%0.357SS*.THydrogen-bonded Turntrans-77.3-15.7175.2-63.6-179.8-179.2176.10112.8S147S147-K149 PolarHBondContact O-N 3.5Å; S147-K149 PolarHBondContact OG-N 3.47Å
150Q89.1Confident88.6Confident133 Ų13367.8 Ų67.862%0.62136%0.357SS*.SBendtrans-102.6143.6-177.3-63.2179.3-7.300110.6S147 Y148 L153 K154S147-Q150 PolarHBondContact O-N 3.26Å; S147-Q150 VanDerWaalsContact O-N 3.11Å; Y148-Q150 VanDerWaalsContact C-N 3.28Å; Q150-L153 WeakPolarHBondContact O-CB 3.46Å; Q150-L153 PolarHBondContact O-N 3.01Å; Q150-K154 PolarHBondContact O-N 2.81Å
151E87.6Confident89Confident117 Ų11766.5 Ų66.555%0.54733%0.334SS..THydrogen-bonded Turntrans-69.2146.3166.5-70.9-61.3155.500109.7K154 S155E151-K154 WeakPolarHBondContact OE1-CB 3.45Å; E151-S155 WeakPolarHBondContact OE2-CB 3.36Å; E151-S155 PolarHBondContact OE2-OG 2.91Å
152P85.3Confident89.5Confident109 Ų10966.3 Ų66.371%0.70833%0.329SS*.THydrogen-bonded Turncis-85-2.97.534-35.9000114.9S155P152-S155 PolarHBondContact O-N 3.1Å; P152-S155 PolarHBondContact O-OG 3.41Å
153L88.1Confident89.7Confident26 Ų2668.8 Ų68.814%0.13635%0.345CS..G310 helixtrans-71.2-32.2-172.1-79.4162000113.8I70 A124 F146 Y148 Q150 S155 M156I70-L153 WeakPolarHBondContact CG1-O 3.31Å; A124-L153 HydrophobicContact CB-CD2 4.35Å; F146-L153 HydrophobicContact CB-CD1 3.19Å; F146-L153 HydrophobicContact CG-CD1 4.21Å; Y148-L153 HydrophobicContact CD1-CB 4.16Å; Y148-L153 HydrophobicContact CD1-CD2 4.18Å; Y148-L153 HydrophobicContact CE1-CD2 4.21Å; Q150-L153 WeakPolarHBondContact O-CB 3.46Å; Q150-L153 PolarHBondContact O-N 3.01Å; L153-S155 PolarHBondContact O-N 3.49Å; L153-M156 HydrophobicContact CD2-CE 3.4Å; L153-M156 HydrophobicContact CD2-SD 3.61Å; L153-M156 WeakPolarHBondContact O-CB 3.18Å; L153-M156 PolarHBondContact O-N 3.34Å
154K88.2Confident89.6Confident125 Ų12570.7 Ų70.754%0.54337%0.367SS..G310 helixtrans-56.6-31.7177.5-177.4-176.2178.9-1740113.1Y148 Q150 E151Y148-K154 WeakPolarHBondContact O-CA 3.33Å; Y148-K154 WeakPolarHBondContact O-CB 3.48Å; Y148-K154 PolarHBondContact O-N 3.37Å; Q150-K154 PolarHBondContact O-N 2.81Å; E151-K154 WeakPolarHBondContact OE1-CB 3.45Å
155S87.7Confident89.4Confident50 Ų5070.6 Ų70.635%0.3537%0.366SS..G310 helixtrans-101.79.8177.868.50000113.8E151 P152 L153 K160E151-S155 WeakPolarHBondContact OE2-CB 3.36Å; E151-S155 PolarHBondContact OE2-OG 2.91Å; P152-S155 PolarHBondContact O-N 3.1Å; P152-S155 PolarHBondContact O-OG 3.41Å; L153-S155 PolarHBondContact O-N 3.49Å; S155-K160 WeakPolarHBondContact O-CD 3.31Å; S155-K160 PolarHBondContact O-NZ 2.99Å
156M90.7Very high89.3Confident25 Ų2570.8 Ų70.812%0.12337%0.367CS..  trans-72.3139.7179.9-173.3173.76900111.4F68 L119 Y148 L153 L161F68-M156 HydrophobicContact CE2-CE 3.72Å; F68-M156 HydrophobicContact CE2-CG 4.12Å; F68-M156 HydrophobicContact CZ-CE 3.73Å; F68-M156 HydrophobicContact CZ-CG 4.15Å; F68-M156 HydrophobicContact CZ-SD 4.3Å; L119-M156 HydrophobicContact CD2-CE 4.22Å; Y148-M156 HydrophobicContact CD1-CE 4.46Å; Y148-M156 HydrophobicContact CE1-CE 3.84Å; L153-M156 HydrophobicContact CD2-CE 3.4Å; L153-M156 HydrophobicContact CD2-SD 3.61Å; L153-M156 WeakPolarHBondContact O-CB 3.18Å; L153-M156 PolarHBondContact O-N 3.34Å; M156-L161 HydrophobicContact SD-CD1 4.45Å
157T92Very high89Confident38 Ų3871.5 Ų71.523%0.23338%0.375CS..BIsolated β-bridgetrans-131.1160.6171.762.30000109.3F68 R69 D159 K160 L161F68-T157 VanDerWaalsContact O-CA 3.28Å; F68-T157 WeakPolarHBondContact O-CA 3.1Å; R69-T157 HydrophobicContact CG-CG2 4.3Å; T157-D159 PolarHBondContact O-N 3.11Å; T157-K160 PolarHBondContact O-N 3.42Å; T157-K160 WeakPolarHBondContact OG1-CG 3.25Å; T157-K160 PolarHBondContact OG1-N 3.05Å; T157-L161 PolarHBondContact O-N 3.17Å
158G89.9Confident88.4Confident1 Ų173.4 Ų73.41%0.0138%0.381CS..Hα-helixtrans-53-44.8174.200000112F68 L161 R162F68-G158 PolarHBondContact O-N 3.15Å; G158-L161 PolarHBondContact O-N 3.31Å; G158-R162 WeakPolarHBondContact O-CG 3.49Å; G158-R162 PolarHBondContact O-N 3.09Å
159D90.5Very high87.8Confident95 Ų9583.1 Ų83.151%0.50842%0.418SS..Hα-helixtrans-61.9-44.7177.1-177.665.3000113.8T157 L161 R162 T163T157-D159 PolarHBondContact O-N 3.11Å; D159-L161 VanDerWaalsContact C-N 3.31Å; D159-L161 PolarHBondContact O-N 3.07Å; D159-R162 PolarHBondContact O-N 3.24Å; D159-T163 WeakPolarHBondContact O-CB 3.39Å; D159-T163 PolarHBondContact O-N 3.39Å; D159-T163 PolarHBondContact O-OG1 3.1Å
160K90Very high87.2Confident114 Ų11479.4 Ų79.450%0.49640%0.403SS..Hα-helixtrans-61.7-41.6175.4-77.9-179.4179.5-179.70111.4S155 T157 T163 G164S155-K160 WeakPolarHBondContact O-CD 3.31Å; S155-K160 PolarHBondContact O-NZ 2.99Å; T157-K160 PolarHBondContact O-N 3.42Å; T157-K160 WeakPolarHBondContact OG1-CG 3.25Å; T157-K160 PolarHBondContact OG1-N 3.05Å; K160-T163 PolarHBondContact O-N 2.92Å; K160-G164 PolarHBondContact O-N 3.45Å
161L90Very high87.1Confident41 Ų4175.8 Ų75.822%0.21539%0.392CS..Hα-helixtrans-64.9-46.8178.2-178.160.5000110.9I65 F68 L119 M156 T157 G158 D159 T163 G164 L165I65-L161 HydrophobicContact CD1-CD2 3.83Å; I65-L161 HydrophobicContact CD1-CG 3.97Å; I65-L161 HydrophobicContact CG2-CD2 4.32Å; F68-L161 HydrophobicContact CE1-CD2 4.12Å; F68-L161 HydrophobicContact CZ-CD2 4.08Å; L119-L161 HydrophobicContact CD1-CD2 3.86Å; M156-L161 HydrophobicContact SD-CD1 4.45Å; T157-L161 PolarHBondContact O-N 3.17Å; G158-L161 PolarHBondContact O-N 3.31Å; D159-L161 VanDerWaalsContact C-N 3.31Å; D159-L161 PolarHBondContact O-N 3.07Å; L161-T163 PolarHBondContact O-N 3.38Å; L161-G164 PolarHBondContact O-N 2.88Å; L161-L165 HydrophobicContact CD1-CD1 4.27Å; L161-L165 HydrophobicContact CD1-CG 4.38Å; L161-L165 HydrophobicContact CG-CD1 4.23Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 2.56Å
162R91.7Very high87Confident45 Ų4578.4 Ų78.417%0.1741%0.408CS..Hα-helixtrans-58.7-47.5175.9-70.8-171.1-149.4106.4-1.3111.9V62 I65 P66 D67 G158 D159 L165 K166V62-R162 HydrophobicContact CG1-CB 3.84Å; V62-R162 HydrophobicContact CG1-CG 3.9Å; V62-R162 WeakPolarHBondContact O-CD 3.24Å; I65-R162 HydrophobicContact CB-CG 4.09Å; I65-R162 HydrophobicContact CG2-CG 4.15Å; I65-R162 PolarHBondContact O-NE 3.33Å; I65-R162 PolarHBondContact O-NH2 3.11Å; P66-R162 PolarHBondContact O-NH2 3.13Å; D67-R162 VanDerWaalsContact N-NH2 3.11Å; D67-R162 IonicContact OD1-CZ 3.91Å; D67-R162 IonicContact OD1-NH1 3.5Å; D67-R162 PolarHBondContact OD1-NH1 2.74Å; D67-R162 IonicContact OD1-NH2 2.68Å; D67-R162 PolarHBondContact OD1-NH2 2.78Å; G158-R162 WeakPolarHBondContact O-CG 3.49Å; G158-R162 PolarHBondContact O-N 3.09Å; D159-R162 PolarHBondContact O-N 3.24Å; R162-L165 PolarHBondContact O-N 2.89Å; R162-K166 WeakPolarHBondContact O-CG 3.28Å; R162-K166 PolarHBondContact O-N 3.2Å
163T89.6Confident87Confident78 Ų7881 Ų8148%0.47940%0.403SS..Hα-helixtrans-63.5-43.1-179.9-58.30000111.4D159 K160 L161 L165 K166 D167D159-T163 WeakPolarHBondContact O-CB 3.39Å; D159-T163 PolarHBondContact O-N 3.39Å; D159-T163 PolarHBondContact O-OG1 3.1Å; K160-T163 PolarHBondContact O-N 2.92Å; L161-T163 PolarHBondContact O-N 3.38Å; T163-L165 VanDerWaalsContact C-N 3.34Å; T163-L165 PolarHBondContact O-N 3.39Å; T163-K166 PolarHBondContact O-N 2.85Å; T163-D167 PolarHBondContact O-N 2.57Å; T163-D167 VanDerWaalsContact O-N 3.09Å
164G86.4Confident86.9Confident47 Ų4780.8 Ų80.849%0.48540%0.403SS..Hα-helixtrans-62.2-38.2176.700000113.3K160 L161K160-G164 PolarHBondContact O-N 3.45Å; L161-G164 PolarHBondContact O-N 2.88Å
165L86.4Confident86.9Confident46 Ų4677.2 Ų77.224%0.24139%0.393CS..Hα-helixtrans-72.3-36.5175.2-68.3173.8000112.4V62 I65 L161 R162 T163 L168V62-L165 HydrophobicContact CG2-CB 3.34Å; V62-L165 HydrophobicContact CG2-CD1 3.75Å; V62-L165 HydrophobicContact CG2-CG 4.2Å; I65-L165 HydrophobicContact CD1-CD1 3.64Å; L161-L165 HydrophobicContact CD1-CD1 4.27Å; L161-L165 HydrophobicContact CD1-CG 4.38Å; L161-L165 HydrophobicContact CG-CD1 4.23Å; L161-L165 WeakPolarHBondContact O-CG 3.39Å; L161-L165 PolarHBondContact O-N 2.56Å; R162-L165 PolarHBondContact O-N 2.89Å; T163-L165 VanDerWaalsContact C-N 3.34Å; T163-L165 PolarHBondContact O-N 3.39Å; L165-L168 WeakPolarHBondContact O-CB 3.49Å; L165-L168 PolarHBondContact O-N 2.95Å
166K86.9Confident86.9Confident116 Ų11679.8 Ų79.850%0.50440%0.402SS..Hα-helixtrans-66.6-35176.7-73.6-173.4-175.4-164.70113.2L59 V62 E63 R162 T163 L168L59-K166 HydrophobicContact CD2-CG 4.16Å; V62-K166 HydrophobicContact CG1-CD 4.17Å; V62-K166 HydrophobicContact CG1-CG 3.97Å; V62-K166 HydrophobicContact CG2-CG 4.42Å; E63-K166 IonicContact OE1-NZ 3.64Å; R162-K166 WeakPolarHBondContact O-CG 3.28Å; R162-K166 PolarHBondContact O-N 3.2Å; T163-K166 PolarHBondContact O-N 2.85Å; K166-L168 VanDerWaalsContact C-N 3.3Å; K166-L168 PolarHBondContact O-N 3.36Å
167D85.4Confident86.7Confident98 Ų9882 Ų8252%0.52442%0.417SS..THydrogen-bonded Turntrans-92.421.9-178.8-160.737.4000113.7T163 R169T163-D167 PolarHBondContact O-N 2.57Å; T163-D167 VanDerWaalsContact O-N 3.09Å; D167-R169 VanDerWaalsContact C-N 3.28Å; D167-R169 PolarHBondContact O-N 3.22Å; D167-R169 IonicContact OD1-CZ 2.82Å; D167-R169 IonicContact OD1-NE 3.68Å; D167-R169 PolarHBondContact OD1-NE 2.99Å; D167-R169 IonicContact OD1-NH2 3.55Å
168L79.8Confident86.5Confident82 Ų8282.3 Ų82.343%0.42942%0.416SS..  trans-66.286.8174.7-156.482.6000110.3L165 K166L165-L168 WeakPolarHBondContact O-CB 3.49Å; L165-L168 PolarHBondContact O-N 2.95Å; K166-L168 VanDerWaalsContact C-N 3.3Å; K166-L168 PolarHBondContact O-N 3.36Å
169R79.2Confident86.4Confident205 Ų20584 Ų8477%0.77443%0.425SS*.PPolyproline II helixtrans-101121.2174.4-63-175.2-166.4-151-3.5109.6D167D167-R169 VanDerWaalsContact C-N 3.28Å; D167-R169 PolarHBondContact O-N 3.22Å; D167-R169 IonicContact OD1-CZ 2.82Å; D167-R169 IonicContact OD1-NE 3.68Å; D167-R169 PolarHBondContact OD1-NE 2.99Å; D167-R169 IonicContact OD1-NH2 3.55Å
170M77.5Confident86.2Confident76 Ų7684.4 Ų84.437%0.37443%0.426SS..PPolyproline II helixtrans-73.2135.8173.4-68.7-172.3-74.100110.5M51 T174M51-M170 HydrophobicContact CB-CE 4.25Å; M51-M170 HydrophobicContact CB-SD 3.81Å; M51-M170 HydrophobicContact CE-CG 4.26Å; M51-M170 HydrophobicContact CE-SD 3.65Å; M51-M170 HydrophobicContact CG-SD 4.2Å; M170-T174 HydrophobicContact SD-CG2 4.46Å
171P86Confident86Confident58 Ų5882.1 Ų82.138%0.37743%0.429SS..PPolyproline II helixtrans-58.9145.5168.9-21.831.2000111.9W173 T174P171-W173 HydrophobicContact CB-CD2 3.81Å; P171-W173 HydrophobicContact CB-CG 4.03Å; P171-W173 HydrophobicContact CB-CZ2 3.8Å; P171-W173 VanDerWaalsContact CB-NE1 3.27Å; P171-W173 HydrophobicContact CG-CH2 4.35Å; P171-W173 HydrophobicContact CG-CZ2 3.76Å; P171-W173 PolarHBondContact O-N 3.44Å; P171-W173 VanDerWaalsContact O-N 3.08Å; P171-T174 WeakPolarHBondContact CD-OG1 3.28Å; P171-T174 WeakPolarHBondContact O-CB 3.18Å; P171-T174 PolarHBondContact O-N 3.48Å; P171-T174 PolarHBondContact O-OG1 3.44Å
172I84.9Confident85.6Confident172 Ų17280.9 Ų80.988%0.88243%0.426SS*.THydrogen-bonded Turntrans-60.6-23.6180-62.3170.6000111.9P175I172-P175 WeakPolarHBondContact O-CD 3.37Å
173W86.3Confident85.2Confident162 Ų16280.6 Ų80.661%0.61443%0.428SS*.THydrogen-bonded Turntrans-84-4.2179.152.8-100.7000114.5P171 L176 V177P171-W173 HydrophobicContact CB-CD2 3.81Å; P171-W173 HydrophobicContact CB-CG 4.03Å; P171-W173 HydrophobicContact CB-CZ2 3.8Å; P171-W173 VanDerWaalsContact CB-NE1 3.27Å; P171-W173 HydrophobicContact CG-CH2 4.35Å; P171-W173 HydrophobicContact CG-CZ2 3.76Å; P171-W173 PolarHBondContact O-N 3.44Å; P171-W173 VanDerWaalsContact O-N 3.08Å; W173-L176 WeakPolarHBondContact O-CB 3.47Å; W173-L176 PolarHBondContact O-N 3.05Å; W173-L176 VanDerWaalsContact O-N 3.08Å; W173-V177 HydrophobicContact CE3-CB 4.22Å; W173-V177 HydrophobicContact CE3-CG2 3.43Å; W173-V177 VanDerWaalsContact CE3-CG2 3.43Å; W173-V177 HydrophobicContact CZ3-CB 4.34Å; W173-V177 HydrophobicContact CZ3-CG2 3.7Å; W173-V177 PolarHBondContact O-N 3Å; W173-V177 VanDerWaalsContact O-N 3.08Å
174T86.5Confident84.9Confident22 Ų2285 Ų8514%0.13544%0.437CS..Hα-helixtrans-54.3-47180-60.40000113.4M170 P171 L176 V177 M178M170-T174 HydrophobicContact SD-CG2 4.46Å; P171-T174 WeakPolarHBondContact CD-OG1 3.28Å; P171-T174 WeakPolarHBondContact O-CB 3.18Å; P171-T174 PolarHBondContact O-N 3.48Å; P171-T174 PolarHBondContact O-OG1 3.44Å; T174-L176 VanDerWaalsContact C-N 3.27Å; T174-L176 PolarHBondContact O-N 3.41Å; T174-V177 PolarHBondContact O-N 3.12Å; T174-M178 HydrophobicContact CG2-CE 4.05Å; T174-M178 HydrophobicContact CG2-CG 4.39Å; T174-M178 HydrophobicContact CG2-SD 4.16Å; T174-M178 WeakPolarHBondContact O-CG 3.28Å; T174-M178 PolarHBondContact O-N 2.89Å
175P86.6Confident84.6Confident51 Ų5186.2 Ų86.233%0.33144%0.436SS..Hα-helixtrans-60.3-35.2177.1-22.933.6000113.4L48 I172 M178 L179L48-P175 HydrophobicContact CD1-CB 4.24Å; L48-P175 HydrophobicContact CD1-CG 4.25Å; L48-P175 HydrophobicContact CD2-CG 4.04Å; I172-P175 WeakPolarHBondContact O-CD 3.37Å; P175-M178 PolarHBondContact O-N 2.67Å; P175-L179 VanDerWaalsContact O-CB 3.31Å; P175-L179 WeakPolarHBondContact O-CB 3.29Å; P175-L179 PolarHBondContact O-N 3.31Å
176L88.4Confident84.4Confident103 Ų10384.9 Ų84.954%0.53943%0.43SS..Hα-helixtrans-67.9-43178.2179.263000111W173 T174 L179 L180W173-L176 WeakPolarHBondContact O-CB 3.47Å; W173-L176 PolarHBondContact O-N 3.05Å; W173-L176 VanDerWaalsContact O-N 3.08Å; T174-L176 VanDerWaalsContact C-N 3.27Å; T174-L176 PolarHBondContact O-N 3.41Å; L176-L179 PolarHBondContact O-N 3.23Å; L176-L180 HydrophobicContact CG-CD1 4.48Å; L176-L180 WeakPolarHBondContact O-CG 3.46Å; L176-L180 PolarHBondContact O-N 2.88Å
177V87.6Confident84.3Confident73 Ų7381.2 Ų81.244%0.44242%0.415SS..Hα-helixtrans-65.2-41.6175.8170.20000111.1W173 T174 L179 L180 A181W173-V177 HydrophobicContact CE3-CB 4.22Å; W173-V177 HydrophobicContact CE3-CG2 3.43Å; W173-V177 VanDerWaalsContact CE3-CG2 3.43Å; W173-V177 HydrophobicContact CZ3-CB 4.34Å; W173-V177 HydrophobicContact CZ3-CG2 3.7Å; W173-V177 PolarHBondContact O-N 3Å; W173-V177 VanDerWaalsContact O-N 3.08Å; T174-V177 PolarHBondContact O-N 3.12Å; V177-L179 VanDerWaalsContact C-N 3.32Å; V177-L179 PolarHBondContact O-N 3.4Å; V177-L180 PolarHBondContact O-N 2.68Å; V177-A181 VanDerWaalsContact O-CB 3.3Å; V177-A181 WeakPolarHBondContact O-CB 3.48Å; V177-A181 PolarHBondContact O-N 3.1Å
178M86.9Confident84.1Confident43 Ų4379.7 Ų79.721%0.21241%0.406CS..Hα-helixtrans-61.3-40.2173.7-72.7-179.7161.600112.2V44 A47 L48 M51 T174 P175 A181 G182V44-M178 HydrophobicContact CG1-CB 4.08Å; V44-M178 HydrophobicContact CG2-CB 4.23Å; A47-M178 HydrophobicContact CB-CE 4.14Å; A47-M178 HydrophobicContact CB-SD 3.94Å; L48-M178 HydrophobicContact CD2-SD 3.88Å; L48-M178 HydrophobicContact CG-SD 4.25Å; M51-M178 HydrophobicContact CG-CE 3.7Å; M51-M178 HydrophobicContact SD-CE 4.42Å; T174-M178 HydrophobicContact CG2-CE 4.05Å; T174-M178 HydrophobicContact CG2-CG 4.39Å; T174-M178 HydrophobicContact CG2-SD 4.16Å; T174-M178 WeakPolarHBondContact O-CG 3.28Å; T174-M178 PolarHBondContact O-N 2.89Å; P175-M178 PolarHBondContact O-N 2.67Å; M178-A181 PolarHBondContact O-N 2.68Å; M178-G182 PolarHBondContact O-N 2.73Å
179L87.6Confident84.1Confident36 Ų3680.5 Ų80.519%0.18841%0.411CS..Hα-helixtrans-64.9-44177-174.369.4000111.8L37 A40 I41 V44 P175 L176 V177 G182 L183L37-L179 HydrophobicContact CD1-CD1 4.03Å; L37-L179 HydrophobicContact CD1-CD2 3.78Å; L37-L179 HydrophobicContact CD1-CG 3.65Å; L37-L179 HydrophobicContact CG-CD2 4.36Å; A40-L179 HydrophobicContact CB-CD1 3.99Å; I41-L179 HydrophobicContact CG1-CD1 4.14Å; V44-L179 VanDerWaalsContact CG2-CA 3.5Å; V44-L179 HydrophobicContact CG2-CB 4Å; V44-L179 HydrophobicContact CG2-CD1 3.9Å; P175-L179 VanDerWaalsContact O-CB 3.31Å; P175-L179 WeakPolarHBondContact O-CB 3.29Å; P175-L179 PolarHBondContact O-N 3.31Å; L176-L179 PolarHBondContact O-N 3.23Å; V177-L179 VanDerWaalsContact C-N 3.32Å; V177-L179 PolarHBondContact O-N 3.4Å; L179-G182 PolarHBondContact O-N 3.48Å; L179-L183 PolarHBondContact O-N 3.46Å
180L87Confident84.1Confident104 Ų10470.9 Ų70.955%0.54537%0.374SS..Hα-helixtrans-65.6-42175.8-70.7177.4000111.9L176 V177 L183L176-L180 HydrophobicContact CG-CD1 4.48Å; L176-L180 WeakPolarHBondContact O-CG 3.46Å; L176-L180 PolarHBondContact O-N 2.88Å; V177-L180 PolarHBondContact O-N 2.68Å; L180-L183 WeakPolarHBondContact O-CB 3.43Å; L180-L183 PolarHBondContact O-N 3.32Å
181A84.2Confident84.2Confident66 Ų6671.4 Ų71.455%0.54538%0.375SS..Hα-helixtrans-65.4-39.817600000111.8V177 M178 L183 P185V177-A181 VanDerWaalsContact O-CB 3.3Å; V177-A181 WeakPolarHBondContact O-CB 3.48Å; V177-A181 PolarHBondContact O-N 3.1Å; M178-A181 PolarHBondContact O-N 2.68Å; A181-L183 VanDerWaalsContact C-N 3.27Å; A181-L183 PolarHBondContact O-N 3.01Å; A181-P185 WeakPolarHBondContact O-CD 3.31Å
182G81.7Confident83.7Confident15 Ų1571.4 Ų71.416%0.15537%0.374CS..Hα-helixtrans-72-16.8177.600000114.3M178 L179 Y184 P185 S186M178-G182 PolarHBondContact O-N 2.73Å; L179-G182 PolarHBondContact O-N 3.48Å; G182-Y184 PolarHBondContact O-N 2.94Å; G182-P185 WeakPolarHBondContact O-CD 3.35Å; G182-P185 WeakPolarHBondContact O-CG 3.37Å; G182-S186 VanDerWaalsContact O-CB 3.23Å; G182-S186 WeakPolarHBondContact O-CB 3.48Å; G182-S186 PolarHBondContact O-N 3.15Å; G182-S186 PolarHBondContact O-OG 3.2Å
183L85Confident83.1Confident40 Ų4064.7 Ų64.721%0.20934%0.341CS..Hα-helixtrans-62.1-43.8178-177.864.3000111.7L33 L37 L179 L180 A181 S186 F187L33-L183 HydrophobicContact CD2-CD2 4.49Å; L37-L183 HydrophobicContact CB-CD1 4.14Å; L37-L183 HydrophobicContact CD1-CD1 4.31Å; L179-L183 PolarHBondContact O-N 3.46Å; L180-L183 WeakPolarHBondContact O-CB 3.43Å; L180-L183 PolarHBondContact O-N 3.32Å; A181-L183 VanDerWaalsContact C-N 3.27Å; A181-L183 PolarHBondContact O-N 3.01Å; L183-S186 PolarHBondContact O-N 3.07Å; L183-F187 WeakPolarHBondContact O-CB 3.36Å; L183-F187 PolarHBondContact O-N 2.9Å
184Y82.3Confident82.4Confident170 Ų17057 Ų5767%0.66731%0.312SS*.Hα-helixtrans-59.6-58.4-178.3177.1-103.4000112.9G182 S186 F187 I188G182-Y184 PolarHBondContact O-N 2.94Å; Y184-S186 VanDerWaalsContact C-N 3.3Å; Y184-S186 PolarHBondContact O-N 2.85Å; Y184-F187 PolarHBondContact O-N 3.34Å; Y184-I188 HydrophobicContact CD2-CG1 4.23Å; Y184-I188 HydrophobicContact CE1-CG1 4.28Å; Y184-I188 HydrophobicContact CE2-CD1 4.11Å; Y184-I188 HydrophobicContact CE2-CG1 3.85Å; Y184-I188 WeakPolarHBondContact O-CG1 3.32Å; Y184-I188 PolarHBondContact O-N 3.3Å
185P81.1Confident81.6Confident72 Ų7258.4 Ų58.447%0.46832%0.318SS..Hα-helixtrans-63.9-35.6179.324.9-33.5000112.2A181 G182 F187 I188 N189A181-P185 WeakPolarHBondContact O-CD 3.31Å; G182-P185 WeakPolarHBondContact O-CD 3.35Å; G182-P185 WeakPolarHBondContact O-CG 3.37Å; P185-F187 VanDerWaalsContact C-N 3.34Å; P185-F187 PolarHBondContact O-N 3.46Å; P185-I188 PolarHBondContact O-N 3.19Å; P185-N189 WeakPolarHBondContact O-CB 3.26Å; P185-N189 PolarHBondContact O-N 2.93Å
186S82.1Confident80.7Confident18 Ų1861.1 Ų61.113%0.12633%0.325CS..Hα-helixtrans-64.9-38.7176.5-58.30000112G182 L183 Y184 L190G182-S186 VanDerWaalsContact O-CB 3.23Å; G182-S186 WeakPolarHBondContact O-CB 3.48Å; G182-S186 PolarHBondContact O-N 3.15Å; G182-S186 PolarHBondContact O-OG 3.2Å; L183-S186 PolarHBondContact O-N 3.07Å; Y184-S186 VanDerWaalsContact C-N 3.3Å; Y184-S186 PolarHBondContact O-N 2.85Å; S186-L190 WeakPolarHBondContact O-CB 3.35Å; S186-L190 PolarHBondContact O-N 3.34Å
187F84.3Confident79.6Confident39 Ų3956.3 Ų56.317%0.17130%0.3CS..Hα-helixtrans-68.3-49.2175.6179.5-91.6000112.1L32 L33 S36 L183 Y184 P185 N189 L190 F191L32-F187 HydrophobicContact CB-CD2 4.13Å; L32-F187 HydrophobicContact CB-CE2 3.57Å; L32-F187 HydrophobicContact CD1-CE2 4.41Å; L33-F187 HydrophobicContact CD2-CD2 3.75Å; L33-F187 HydrophobicContact CD2-CE2 3.96Å; L33-F187 HydrophobicContact CD2-CG 4.34Å; L33-F187 HydrophobicContact CG-CD2 4.24Å; L33-F187 HydrophobicContact CG-CE2 4.1Å; S36-F187 WeakPolarHBondContact OG-CA 3.36Å; L183-F187 WeakPolarHBondContact O-CB 3.36Å; L183-F187 PolarHBondContact O-N 2.9Å; Y184-F187 PolarHBondContact O-N 3.34Å; P185-F187 VanDerWaalsContact C-N 3.34Å; P185-F187 PolarHBondContact O-N 3.46Å; F187-N189 VanDerWaalsContact C-N 3.34Å; F187-N189 PolarHBondContact O-N 2.98Å; F187-L190 PolarHBondContact O-N 3.34Å; F187-F191 HydrophobicContact CE1-CB 4.45Å; F187-F191 WeakPolarHBondContact O-CB 3.48Å; F187-F191 PolarHBondContact O-N 3.19Å
188I81.4Confident78.2Confident66 Ų6652.9 Ų52.934%0.33828%0.279SS..Hα-helixtrans-59.4-47.8177.5-64.8-60.5000110.2Y184 P185 L190 F191 V192Y184-I188 HydrophobicContact CD2-CG1 4.23Å; Y184-I188 HydrophobicContact CE1-CG1 4.28Å; Y184-I188 HydrophobicContact CE2-CD1 4.11Å; Y184-I188 HydrophobicContact CE2-CG1 3.85Å; Y184-I188 WeakPolarHBondContact O-CG1 3.32Å; Y184-I188 PolarHBondContact O-N 3.3Å; P185-I188 PolarHBondContact O-N 3.19Å; I188-L190 PolarHBondContact O-N 3.09Å; I188-F191 PolarHBondContact O-N 2.95Å; I188-V192 HydrophobicContact CG2-CG2 4.17Å; I188-V192 VanDerWaalsContact O-CB 3.28Å; I188-V192 WeakPolarHBondContact O-CB 3.22Å; I188-V192 WeakPolarHBondContact O-CG2 3.36Å; I188-V192 PolarHBondContact O-N 3.3Å
189N79.3Confident77Confident99 Ų9953.8 Ų53.853%0.52928%0.284SS..Hα-helixtrans-60.8-46.2179-175.341.4000112.4P185 F187 T193P185-N189 WeakPolarHBondContact O-CB 3.26Å; P185-N189 PolarHBondContact O-N 2.93Å; F187-N189 VanDerWaalsContact C-N 3.34Å; F187-N189 PolarHBondContact O-N 2.98Å; N189-T193 WeakPolarHBondContact O-CB 3.48Å; N189-T193 PolarHBondContact O-N 3.15Å; N189-T193 PolarHBondContact O-OG1 2.92Å
190L79.9Confident75.7Confident3 Ų353.6 Ų53.62%0.01629%0.288CS..Hα-helixtrans-62.5-46.9177.317867.5000111.6L32 L35 S36 L39 S186 F187 I188 T193 L194 Y408L32-L190 HydrophobicContact CD2-CD2 3.75Å; L32-L190 HydrophobicContact CD2-CG 4.13Å; L35-L190 HydrophobicContact CB-CD2 4.05Å; L35-L190 HydrophobicContact CD2-CD1 4.15Å; L35-L190 HydrophobicContact CD2-CD2 3.81Å; L35-L190 HydrophobicContact CG-CD2 4.03Å; S36-L190 WeakPolarHBondContact OG-CD2 3.4Å; L39-L190 HydrophobicContact CD1-CB 4.34Å; L39-L190 HydrophobicContact CD1-CD1 3.9Å; L39-L190 HydrophobicContact CD1-CD2 4.06Å; L39-L190 HydrophobicContact CD1-CG 4.32Å; S186-L190 WeakPolarHBondContact O-CB 3.35Å; S186-L190 PolarHBondContact O-N 3.34Å; F187-L190 PolarHBondContact O-N 3.34Å; I188-L190 PolarHBondContact O-N 3.09Å; L190-T193 PolarHBondContact O-N 3.09Å; L190-L194 HydrophobicContact CD1-CD1 3.8Å; L190-L194 HydrophobicContact CD1-CG 4.11Å; L190-L194 HydrophobicContact CG-CD1 3.91Å; L190-L194 WeakPolarHBondContact O-CB 3.46Å; L190-L194 VanDerWaalsContact O-CG 3.29Å; L190-L194 WeakPolarHBondContact O-CG 3.12Å; L190-L194 PolarHBondContact O-N 2.94Å; L190-Y408 HydrophobicContact CD1-CD1 3.94Å; L190-Y408 HydrophobicContact CD1-CE1 3.66Å
191F79Confident74.1Confident87 Ų8749.4 Ų49.438%0.38227%0.269SS..Hα-helixtrans-61.3-49.1-179.5-178.8-105.6000111.2L32 F187 I188 L194 I195L32-F191 HydrophobicContact CD1-CD2 3.98Å; F187-F191 HydrophobicContact CE1-CB 4.45Å; F187-F191 WeakPolarHBondContact O-CB 3.48Å; F187-F191 PolarHBondContact O-N 3.19Å; I188-F191 PolarHBondContact O-N 2.95Å; F191-L194 PolarHBondContact O-N 3.13Å; F191-I195 HydrophobicContact CD1-CD1 3.83Å; F191-I195 HydrophobicContact CD2-CD1 4.22Å; F191-I195 HydrophobicContact CE1-CD1 3.33Å; F191-I195 HydrophobicContact CE2-CD1 3.78Å; F191-I195 HydrophobicContact CG-CD1 4.26Å; F191-I195 HydrophobicContact CZ-CD1 3.32Å; F191-I195 WeakPolarHBondContact O-CB 3.24Å; F191-I195 WeakPolarHBondContact O-CG1 3.46Å; F191-I195 PolarHBondContact O-N 3.23Å
192V75.3Confident72.8Confident58 Ų5847.1 Ų47.135%0.35225%0.248SC..Hα-helixtrans-59.7-53.5175.9170.50000110.1I188 L194 I195 F196I188-V192 HydrophobicContact CG2-CG2 4.17Å; I188-V192 VanDerWaalsContact O-CB 3.28Å; I188-V192 WeakPolarHBondContact O-CB 3.22Å; I188-V192 WeakPolarHBondContact O-CG2 3.36Å; I188-V192 PolarHBondContact O-N 3.3Å; V192-L194 VanDerWaalsContact C-N 3.32Å; V192-L194 PolarHBondContact O-N 3.24Å; V192-I195 PolarHBondContact O-N 3.04Å; V192-I195 VanDerWaalsContact O-N 3.12Å; V192-F196 HydrophobicContact CG1-CD2 3.54Å; V192-F196 HydrophobicContact CG1-CE2 3.64Å; V192-F196 VanDerWaalsContact O-CD2 3.31Å; V192-F196 WeakPolarHBondContact O-CD2 3.44Å; V192-F196 PolarHBondContact O-N 3.06Å
193T73Confident71.7Confident32 Ų3248.6 Ų48.620%0.19625%0.251CS..Hα-helixtrans-55-46.1-179.2-61.80000112.3N189 L190 A197 L414N189-T193 WeakPolarHBondContact O-CB 3.48Å; N189-T193 PolarHBondContact O-N 3.15Å; N189-T193 PolarHBondContact O-OG1 2.92Å; L190-T193 PolarHBondContact O-N 3.09Å; T193-A197 VanDerWaalsContact O-CB 3.31Å; T193-A197 WeakPolarHBondContact O-CB 3.21Å; T193-A197 PolarHBondContact O-N 3.22Å; T193-L414 HydrophobicContact CG2-CD1 3.96Å
194L71.4Confident70.3Confident1 Ų147.8 Ų47.81%0.00525%0.248CC..Hα-helixtrans-69.4-35.7-179.7-70.6172.7000112.7L32 L190 F191 V192 G198 F401 N404 L405 L414L32-L194 HydrophobicContact CD2-CD1 3.61Å; L190-L194 HydrophobicContact CD1-CD1 3.8Å; L190-L194 HydrophobicContact CD1-CG 4.11Å; L190-L194 HydrophobicContact CG-CD1 3.91Å; L190-L194 WeakPolarHBondContact O-CB 3.46Å; L190-L194 VanDerWaalsContact O-CG 3.29Å; L190-L194 WeakPolarHBondContact O-CG 3.12Å; L190-L194 PolarHBondContact O-N 2.94Å; F191-L194 PolarHBondContact O-N 3.13Å; V192-L194 VanDerWaalsContact C-N 3.32Å; V192-L194 PolarHBondContact O-N 3.24Å; L194-G198 PolarHBondContact O-N 3.41Å; L194-F401 HydrophobicContact CB-CD2 3.77Å; L194-F401 HydrophobicContact CB-CE2 3.47Å; L194-F401 VanDerWaalsContact CB-CE2 3.47Å; L194-F401 HydrophobicContact CD1-CE2 3.64Å; L194-F401 HydrophobicContact CD1-CZ 3.98Å; L194-F401 HydrophobicContact CD2-CE2 4.49Å; L194-F401 HydrophobicContact CG-CE2 4.07Å; L194-N404 HydrophobicContact CD2-CB 4.42Å; L194-L405 HydrophobicContact CD1-CD1 4.2Å; L194-L414 HydrophobicContact CD2-CD2 4.28Å
195I70.5Confident69.1Low50 Ų5041.8 Ų41.826%0.25623%0.233SC..Hα-helixtrans-64.9-50.6173.9-75.2178.6000110.5F191 V192 A197 G198 I199 F397F191-I195 HydrophobicContact CD1-CD1 3.83Å; F191-I195 HydrophobicContact CD2-CD1 4.22Å; F191-I195 HydrophobicContact CE1-CD1 3.33Å; F191-I195 HydrophobicContact CE2-CD1 3.78Å; F191-I195 HydrophobicContact CG-CD1 4.26Å; F191-I195 HydrophobicContact CZ-CD1 3.32Å; F191-I195 WeakPolarHBondContact O-CB 3.24Å; F191-I195 WeakPolarHBondContact O-CG1 3.46Å; F191-I195 PolarHBondContact O-N 3.23Å; V192-I195 PolarHBondContact O-N 3.04Å; V192-I195 VanDerWaalsContact O-N 3.12Å; I195-A197 PolarHBondContact O-N 3.3Å; I195-G198 PolarHBondContact O-N 3.1Å; I195-I199 HydrophobicContact CG2-CD1 3.6Å; I195-I199 HydrophobicContact CG2-CG1 4.36Å; I195-I199 WeakPolarHBondContact O-CG1 3.29Å; I195-I199 PolarHBondContact O-N 3.34Å; I195-F397 HydrophobicContact CG1-CZ 4.24Å
196F67.3Low68.5Low109 Ų10940.1 Ų40.148%0.47822%0.219SC..Hα-helixtrans-60.3-45.6-179.9-88.2-89.6000111.7V192 G198 I199 A200V192-F196 HydrophobicContact CG1-CD2 3.54Å; V192-F196 HydrophobicContact CG1-CE2 3.64Å; V192-F196 VanDerWaalsContact O-CD2 3.31Å; V192-F196 WeakPolarHBondContact O-CD2 3.44Å; V192-F196 PolarHBondContact O-N 3.06Å; F196-G198 VanDerWaalsContact C-N 3.32Å; F196-G198 PolarHBondContact O-N 3.28Å; F196-I199 PolarHBondContact O-N 3.09Å; F196-A200 WeakPolarHBondContact O-CB 3.48Å; F196-A200 PolarHBondContact O-N 3Å
197A63.8Low68.7Low2 Ų239.4 Ų39.42%0.01721%0.214CC..Hα-helixtrans-62.6-37.8176.700000112.6T193 I195 G201 L414T193-A197 VanDerWaalsContact O-CB 3.31Å; T193-A197 WeakPolarHBondContact O-CB 3.21Å; T193-A197 PolarHBondContact O-N 3.22Å; I195-A197 PolarHBondContact O-N 3.3Å; A197-G201 PolarHBondContact O-N 3.29Å; A197-L414 HydrophobicContact CB-CD1 4Å
198G59Low68.9Low0 Ų037.7 Ų37.70%021%0.206CC..Hα-helixtrans-67.6-38.6175.500000113.4L194 I195 F196 M202L194-G198 PolarHBondContact O-N 3.41Å; I195-G198 PolarHBondContact O-N 3.1Å; F196-G198 VanDerWaalsContact C-N 3.32Å; F196-G198 PolarHBondContact O-N 3.28Å; G198-M202 WeakPolarHBondContact O-CE 3.4Å
199I62.5Low69.4Low63 Ų6340.8 Ų40.832%0.32322%0.22SC..Hα-helixtrans-69.5-52.3176.9-69169.9000110.6I195 F196 G201 M202 I203 F393 F397I195-I199 HydrophobicContact CG2-CD1 3.6Å; I195-I199 HydrophobicContact CG2-CG1 4.36Å; I195-I199 WeakPolarHBondContact O-CG1 3.29Å; I195-I199 PolarHBondContact O-N 3.34Å; F196-I199 PolarHBondContact O-N 3.09Å; I199-G201 PolarHBondContact O-N 3.12Å; I199-G201 VanDerWaalsContact O-N 3.1Å; I199-M202 PolarHBondContact O-N 3.25Å; I199-I203 HydrophobicContact CG2-CD1 3.71Å; I199-I203 HydrophobicContact CG2-CG1 4.39Å; I199-I203 WeakPolarHBondContact O-CG1 3.41Å; I199-I203 PolarHBondContact O-N 3.48Å; I199-F393 HydrophobicContact CG1-CZ 4.45Å; I199-F397 HydrophobicContact CG1-CE2 4.38Å
200A60.4Low70.1Confident32 Ų3237.9 Ų37.926%0.26420%0.202SC..Hα-helixtrans-53-37.7-177.700000112F196 M202 V419F196-A200 WeakPolarHBondContact O-CB 3.48Å; F196-A200 PolarHBondContact O-N 3Å; A200-M202 PolarHBondContact O-N 3.15Å; A200-V419 HydrophobicContact CB-CG2 4.13Å
201G53.2Low70.9Confident15 Ų1537.7 Ų37.716%0.15520%0.202CC..Hα-helixtrans-73.9-16.2-178.400000118A197 I199 I400 N417A197-G201 PolarHBondContact O-N 3.29Å; I199-G201 PolarHBondContact O-N 3.12Å; I199-G201 VanDerWaalsContact O-N 3.1Å; G201-I400 WeakPolarHBondContact O-CD1 3.48Å; G201-N417 VanDerWaalsContact CA-CG 3.43Å; G201-N417 WeakPolarHBondContact CA-ND2 3.15Å
202M56.7Low71.7Confident19 Ų1935 Ų359%0.09419%0.191CC..Hα-helixtrans-95.8-28.3177.8-72-172.3-74.300113.3G198 I199 A200 V204 T390 F393 K396 F397 I400G198-M202 WeakPolarHBondContact O-CE 3.4Å; I199-M202 PolarHBondContact O-N 3.25Å; A200-M202 PolarHBondContact O-N 3.15Å; M202-V204 PolarHBondContact O-N 3.31Å; M202-T390 HydrophobicContact SD-CG2 4.36Å; M202-F393 HydrophobicContact CE-CD2 3.77Å; M202-F393 HydrophobicContact CE-CE2 3.48Å; M202-F393 VanDerWaalsContact CE-CE2 3.48Å; M202-F393 HydrophobicContact CE-CG 4.43Å; M202-F393 HydrophobicContact CE-CZ 3.91Å; M202-F393 HydrophobicContact SD-CD2 4.38Å; M202-K396 HydrophobicContact CG-CB 3.9Å; M202-K396 VanDerWaalsContact SD-C 3.52Å; M202-K396 HydrophobicContact SD-CB 3.29Å; M202-K396 WeakPolarHBondContact SD-CB 3.36Å; M202-F397 HydrophobicContact CE-CB 3.46Å; M202-F397 VanDerWaalsContact CE-CB 3.46Å; M202-F397 HydrophobicContact CE-CD2 3.79Å; M202-F397 HydrophobicContact CE-CG 4.12Å; M202-F397 HydrophobicContact SD-CB 4Å; M202-F397 PolarHBondContact SD-N 2.91Å; M202-I400 HydrophobicContact CG-CD1 3.94Å
203I57.1Low72.7Confident46 Ų4634.2 Ų34.224%0.23620%0.195CC..Hα-helixtrans-58.9-32.7-178-68.4174.1000110.4I199 A205 K206 L207 I257I199-I203 HydrophobicContact CG2-CD1 3.71Å; I199-I203 HydrophobicContact CG2-CG1 4.39Å; I199-I203 WeakPolarHBondContact O-CG1 3.41Å; I199-I203 PolarHBondContact O-N 3.48Å; I203-A205 VanDerWaalsContact C-N 3.33Å; I203-A205 PolarHBondContact O-N 3.26Å; I203-K206 PolarHBondContact O-N 3.02Å; I203-L207 HydrophobicContact CB-CD1 4.5Å; I203-L207 HydrophobicContact CG2-CD1 3.45Å; I203-L207 VanDerWaalsContact CG2-CD1 3.45Å; I203-L207 HydrophobicContact CG2-CD2 3.94Å; I203-L207 HydrophobicContact CG2-CG 4.35Å; I203-L207 WeakPolarHBondContact O-CD1 3.44Å; I203-I257 HydrophobicContact CG2-CD1 3.79Å; I203-I257 HydrophobicContact CG2-CG1 4.35Å
204V57.1Low73.8Confident23 Ų2333.1 Ų33.114%0.13919%0.188CC..Hα-helixtrans-51.9-44.7-175.4-169.30000114M202 K206 H256 I257 Q260M202-V204 PolarHBondContact O-N 3.31Å; V204-K206 PolarHBondContact O-N 2.89Å; V204-H256 HydrophobicContact CG1-CB 3.78Å; V204-H256 WeakPolarHBondContact CG1-O 3.47Å; V204-H256 HydrophobicContact CG2-CB 3.94Å; V204-I257 HydrophobicContact CB-CG1 4.39Å; V204-I257 HydrophobicContact CG2-CG1 4.26Å; V204-Q260 HydrophobicContact CG1-CB 4.31Å; V204-Q260 PolarHBondContact O-OE1 2.91Å
205A56Low75.1Confident43 Ų4333.1 Ų33.136%0.35519%0.188SC..Hα-helixtrans-78.7-17.5-168.300000115.9I203 Q260I203-A205 VanDerWaalsContact C-N 3.33Å; I203-A205 PolarHBondContact O-N 3.26Å; A205-Q260 VanDerWaalsContact CA-NE2 3.3Å; A205-Q260 VanDerWaalsContact CA-OE1 3.27Å; A205-Q260 PolarHBondContact O-NE2 3.24Å
206K70Confident76.3Confident37 Ų3733.8 Ų33.816%0.16119%0.191CC..Hα-helixtrans-116.7-24.6-161.6-65.9-149.1172.4-154.90114.9I203 V204 S208 E209 H210 M389 T390I203-K206 PolarHBondContact O-N 3.02Å; V204-K206 PolarHBondContact O-N 2.89Å; K206-S208 PolarHBondContact O-N 3.33Å; K206-E209 PolarHBondContact O-N 3.47Å; K206-E209 VanDerWaalsContact O-N 3.1Å; K206-H210 PolarHBondContact O-N 2.95Å; K206-M389 WeakPolarHBondContact CD-O 3.34Å; K206-T390 VanDerWaalsContact CE-CB 3.41Å; K206-T390 WeakPolarHBondContact CE-OG1 3.38Å; K206-T390 PolarHBondContact NZ-OG1 3.36Å
207L85.1Confident77.7Confident4 Ų428.8 Ų28.82%0.02117%0.171CC..Hα-helixtrans-58.5-36.7172-92.765.7000110.5I203 E209 H210 I211 I257 I307 V335 S387 G388I203-L207 HydrophobicContact CB-CD1 4.5Å; I203-L207 HydrophobicContact CG2-CD1 3.45Å; I203-L207 VanDerWaalsContact CG2-CD1 3.45Å; I203-L207 HydrophobicContact CG2-CD2 3.94Å; I203-L207 HydrophobicContact CG2-CG 4.35Å; I203-L207 WeakPolarHBondContact O-CD1 3.44Å; L207-E209 PolarHBondContact O-N 3.26Å; L207-H210 PolarHBondContact O-N 2.76Å; L207-I211 HydrophobicContact CB-CD1 4.43Å; L207-I211 WeakPolarHBondContact O-CB 3.2Å; L207-I211 VanDerWaalsContact O-CD1 3.27Å; L207-I211 WeakPolarHBondContact O-CD1 3.32Å; L207-I211 WeakPolarHBondContact O-CG1 3.13Å; L207-I211 PolarHBondContact O-N 3.12Å; L207-I257 HydrophobicContact CB-CG2 3.66Å; L207-I257 HydrophobicContact CD2-CD1 4.16Å; L207-I257 HydrophobicContact CD2-CG2 3.82Å; L207-I257 HydrophobicContact CG-CG2 4.37Å; L207-I307 HydrophobicContact CD2-CG2 4.09Å; L207-V335 HydrophobicContact CD2-CB 4.31Å; L207-V335 HydrophobicContact CD2-CG2 3.89Å; L207-V335 HydrophobicContact CG-CG2 4.26Å; L207-S387 WeakPolarHBondContact CD1-O 3.28Å; L207-G388 VanDerWaalsContact CD1-CA 3.44Å
208S89.8Confident79.3Confident2 Ų229.8 Ų29.81%0.01417%0.174CC..Hα-helixtrans-60.9-43.9175.4-48.20000112.7K206 I212 L261K206-S208 PolarHBondContact O-N 3.33Å; S208-I212 WeakPolarHBondContact O-CB 3.1Å; S208-I212 WeakPolarHBondContact O-CD1 3.29Å; S208-I212 WeakPolarHBondContact O-CG1 3.15Å; S208-I212 PolarHBondContact O-N 2.96Å; S208-L261 VanDerWaalsContact OG-CA 3.29Å; S208-L261 WeakPolarHBondContact OG-CA 3.42Å; S208-L261 PolarHBondContact OG-N 3.45Å; S208-L261 VanDerWaalsContact OG-N 3.12Å
209E91.5Very high81.1Confident132 Ų13230 Ų3062%0.61718%0.175SC*.Hα-helixtrans-63.6-43.1176.8-68.4177.4-171.400111.2K206 L207 I212 G213K206-E209 PolarHBondContact O-N 3.47Å; K206-E209 VanDerWaalsContact O-N 3.1Å; L207-E209 PolarHBondContact O-N 3.26Å; E209-I212 PolarHBondContact O-N 3.06Å; E209-G213 PolarHBondContact O-N 3.48Å
210H93.7Very high82.7Confident37 Ų3732.7 Ų32.717%0.17118%0.181CC..Hα-helixtrans-62.2-49.9177.8-173.794.7000111.6K206 L207 I212 G213 V214 T383K206-H210 PolarHBondContact O-N 2.95Å; L207-H210 PolarHBondContact O-N 2.76Å; H210-I212 PolarHBondContact O-N 2.83Å; H210-G213 PolarHBondContact O-N 2.81Å; H210-V214 WeakPolarHBondContact O-CG2 3.15Å; H210-V214 PolarHBondContact O-N 3.18Å; H210-T383 PolarHBondContact NE2-OG1 2.78Å
211I96Very high84.4Confident0 Ų031.3 Ų31.30%017%0.17CC..Hα-helixtrans-61.4-45.8178.8-63.9158.5000110.4L207 G213 V214 L215 L261 V305 I307 V333 V335L207-I211 HydrophobicContact CB-CD1 4.43Å; L207-I211 WeakPolarHBondContact O-CB 3.2Å; L207-I211 VanDerWaalsContact O-CD1 3.27Å; L207-I211 WeakPolarHBondContact O-CD1 3.32Å; L207-I211 WeakPolarHBondContact O-CG1 3.13Å; L207-I211 PolarHBondContact O-N 3.12Å; I211-G213 VanDerWaalsContact C-N 3.31Å; I211-G213 PolarHBondContact O-N 3.39Å; I211-V214 PolarHBondContact O-N 3.04Å; I211-L215 HydrophobicContact CG2-CD1 3.89Å; I211-L215 HydrophobicContact CG2-CG 4.31Å; I211-L215 WeakPolarHBondContact O-CB 3.42Å; I211-L215 VanDerWaalsContact O-CG 3.23Å; I211-L215 WeakPolarHBondContact O-CG 3.35Å; I211-L215 PolarHBondContact O-N 3.44Å; I211-L261 HydrophobicContact CB-CD1 4.17Å; I211-L261 HydrophobicContact CD1-CD1 4.25Å; I211-L261 HydrophobicContact CD1-CD2 3.8Å; I211-L261 HydrophobicContact CG2-CD1 3.95Å; I211-L261 HydrophobicContact CG2-CD2 4.3Å; I211-V305 HydrophobicContact CD1-CG1 3.91Å; I211-V305 HydrophobicContact CG1-CG1 4.38Å; I211-V305 HydrophobicContact CG2-CG1 4.41Å; I211-V305 HydrophobicContact CG2-CG2 4.3Å; I211-I307 HydrophobicContact CD1-CD1 3.99Å; I211-V333 HydrophobicContact CG1-CG1 4.48Å; I211-V335 HydrophobicContact CD1-CG2 3.82Å; I211-V335 HydrophobicContact CG1-CG1 4.3Å; I211-V335 HydrophobicContact CG1-CG2 4.06Å
212I95.8Very high86.4Confident30 Ų3035 Ų3515%0.15419%0.186CC..Hα-helixtrans-61.3-42.2176.4-69.8167.3000110.6S208 E209 H210 L215 L216 L261 I265 L268S208-I212 WeakPolarHBondContact O-CB 3.1Å; S208-I212 WeakPolarHBondContact O-CD1 3.29Å; S208-I212 WeakPolarHBondContact O-CG1 3.15Å; S208-I212 PolarHBondContact O-N 2.96Å; E209-I212 PolarHBondContact O-N 3.06Å; H210-I212 PolarHBondContact O-N 2.83Å; I212-L215 PolarHBondContact O-N 3.32Å; I212-L216 HydrophobicContact CG2-CD1 3.77Å; I212-L216 HydrophobicContact CG2-CG 4.25Å; I212-L216 WeakPolarHBondContact O-CB 3.2Å; I212-L216 VanDerWaalsContact O-CG 3.29Å; I212-L216 WeakPolarHBondContact O-CG 3.08Å; I212-L216 PolarHBondContact O-N 2.88Å; I212-L261 HydrophobicContact CG1-CD1 4.49Å; I212-I265 HydrophobicContact CD1-CB 4.48Å; I212-I265 HydrophobicContact CG1-CB 4.45Å; I212-I265 HydrophobicContact CG1-CD1 4.16Å; I212-I265 HydrophobicContact CG1-CG1 4.32Å; I212-L268 HydrophobicContact CG2-CD1 3.89Å
213G95.8Very high88.2Confident42 Ų4236.4 Ų36.443%0.43319%0.193SC..Hα-helixtrans-60.1-45.4175.900000112.7E209 H210 I211 G217E209-G213 PolarHBondContact O-N 3.48Å; H210-G213 PolarHBondContact O-N 2.81Å; I211-G213 VanDerWaalsContact C-N 3.31Å; I211-G213 PolarHBondContact O-N 3.39Å; G213-G217 PolarHBondContact O-N 3.25Å
214V97Very high90Very high9 Ų937.3 Ų37.36%0.05520%0.197CC..Hα-helixtrans-59.5-49.5174.31640000111.1H210 I211 G217 Y218 V333 F357 A359 L381H210-V214 WeakPolarHBondContact O-CG2 3.15Å; H210-V214 PolarHBondContact O-N 3.18Å; I211-V214 PolarHBondContact O-N 3.04Å; V214-G217 WeakPolarHBondContact O-CA 3.32Å; V214-G217 PolarHBondContact O-N 2.88Å; V214-G217 VanDerWaalsContact O-N 3.15Å; V214-Y218 PolarHBondContact O-N 3.01Å; V214-V333 HydrophobicContact CG1-CG2 4.26Å; V214-F357 HydrophobicContact CG1-CE1 4.33Å; V214-A359 HydrophobicContact CB-CB 4.46Å; V214-A359 HydrophobicContact CG1-CB 3.28Å; V214-A359 HydrophobicContact CG2-CB 4.36Å; V214-L381 HydrophobicContact CG1-CD2 4.43Å; V214-L381 HydrophobicContact CG2-CD2 4.04Å
215L98Very high91.8Very high0 Ų037.9 Ų37.90%020%0.203CC..Hα-helixtrans-65.1-41.8-178.3-67.4174.3000111.7I211 I212 G217 Y218 Y219 L244 L249 I265 I303 V331 V333I211-L215 HydrophobicContact CG2-CD1 3.89Å; I211-L215 HydrophobicContact CG2-CG 4.31Å; I211-L215 WeakPolarHBondContact O-CB 3.42Å; I211-L215 VanDerWaalsContact O-CG 3.23Å; I211-L215 WeakPolarHBondContact O-CG 3.35Å; I211-L215 PolarHBondContact O-N 3.44Å; I212-L215 PolarHBondContact O-N 3.32Å; L215-G217 VanDerWaalsContact C-N 3.32Å; L215-Y218 PolarHBondContact O-N 2.82Å; L215-Y219 HydrophobicContact CB-CD2 4.37Å; L215-Y219 HydrophobicContact CD2-CE2 4.24Å; L215-Y219 WeakPolarHBondContact O-CB 3.06Å; L215-Y219 VanDerWaalsContact O-CD2 3.28Å; L215-Y219 WeakPolarHBondContact O-CD2 3.02Å; L215-Y219 PolarHBondContact O-N 2.81Å; L215-L244 HydrophobicContact CB-CD1 4.31Å; L215-L244 HydrophobicContact CD1-CD1 4.44Å; L215-L249 HydrophobicContact CD1-CD1 4.02Å; L215-I265 HydrophobicContact CD1-CD1 3.54Å; L215-I303 HydrophobicContact CD1-CD1 4.19Å; L215-I303 HydrophobicContact CD1-CG2 4.33Å; L215-I303 HydrophobicContact CD2-CD1 4.07Å; L215-I303 HydrophobicContact CD2-CG1 4.26Å; L215-I303 HydrophobicContact CD2-CG2 3.67Å; L215-V331 HydrophobicContact CD2-CG1 3.88Å; L215-V333 HydrophobicContact CD2-CG2 4.27Å
216L96.9Very high93.7Very high64 Ų6440.1 Ų40.134%0.33521%0.213SC..Hα-helixtrans-66.2-37.5172.8-70.8173.7000111.4I212 Y218 R220 L244I212-L216 HydrophobicContact CG2-CD1 3.77Å; I212-L216 HydrophobicContact CG2-CG 4.25Å; I212-L216 WeakPolarHBondContact O-CB 3.2Å; I212-L216 VanDerWaalsContact O-CG 3.29Å; I212-L216 WeakPolarHBondContact O-CG 3.08Å; I212-L216 PolarHBondContact O-N 2.88Å; L216-Y218 VanDerWaalsContact C-N 3.28Å; L216-Y218 PolarHBondContact O-N 2.9Å; L216-R220 HydrophobicContact CD2-CG 4.26Å; L216-R220 WeakPolarHBondContact O-CA 3.2Å; L216-R220 WeakPolarHBondContact O-CB 3.31Å; L216-R220 WeakPolarHBondContact O-CG 3.34Å; L216-R220 PolarHBondContact O-N 2.96Å; L216-L244 HydrophobicContact CD2-CD2 4.42Å
217G96.5Very high94.8Very high4 Ų442.6 Ų42.64%0.04122%0.223CC..Hα-helixtrans-57.8-42.1175.100000112.5G213 V214 L215 L222 N223G213-G217 PolarHBondContact O-N 3.25Å; V214-G217 WeakPolarHBondContact O-CA 3.32Å; V214-G217 PolarHBondContact O-N 2.88Å; V214-G217 VanDerWaalsContact O-N 3.15Å; L215-G217 VanDerWaalsContact C-N 3.32Å; G217-L222 PolarHBondContact O-N 3.28Å; G217-N223 PolarHBondContact O-N 2.91Å; G217-N223 VanDerWaalsContact O-N 3.12Å
218Y97.3Very high95.3Very high23 Ų2344.5 Ų44.59%0.0923%0.232CC..Hα-helixtrans-73.5-65.3174.6-179-106.5000112.6V214 L215 L216 R220 G221 V331 D356 F357V214-Y218 PolarHBondContact O-N 3.01Å; L215-Y218 PolarHBondContact O-N 2.82Å; L216-Y218 VanDerWaalsContact C-N 3.28Å; L216-Y218 PolarHBondContact O-N 2.9Å; Y218-R220 PolarHBondContact O-N 3.03Å; Y218-R220 VanDerWaalsContact O-N 3.13Å; Y218-G221 PolarHBondContact O-N 2.94Å; Y218-V331 HydrophobicContact CD1-CG2 3.43Å; Y218-V331 VanDerWaalsContact CD1-CG2 3.43Å; Y218-V331 HydrophobicContact CE1-CG2 3.4Å; Y218-V331 VanDerWaalsContact CE1-CG2 3.4Å; Y218-V331 HydrophobicContact CG-CG2 4.22Å; Y218-D356 PolarHBondContact OH-OD2 3.24Å; Y218-F357 HydrophobicContact CD2-CB 3.72Å; Y218-F357 AromaticContact CD2-CD1 3.61Å; Y218-F357 HydrophobicContact CD2-CD1 3.61Å; Y218-F357 AromaticContact CD2-CD2 3.59Å; Y218-F357 HydrophobicContact CD2-CD2 3.59Å; Y218-F357 HydrophobicContact CD2-CE1 4.08Å; Y218-F357 HydrophobicContact CD2-CE2 4.08Å; Y218-F357 AromaticContact CD2-CG 3.35Å; Y218-F357 HydrophobicContact CD2-CG 3.35Å; Y218-F357 HydrophobicContact CD2-CZ 4.3Å; Y218-F357 HydrophobicContact CE1-CB 4.45Å; Y218-F357 HydrophobicContact CE2-CB 3.37Å; Y218-F357 HydrophobicContact CE2-CD1 4.2Å; Y218-F357 AromaticContact CE2-CD2 3.83Å; Y218-F357 HydrophobicContact CE2-CD2 3.83Å; Y218-F357 AromaticContact CE2-CG 3.55Å; Y218-F357 HydrophobicContact CE2-CG 3.55Å; Y218-F357 HydrophobicContact CG-CB 4.39Å; Y218-F357 AromaticContact CG-CD1 3.83Å; Y218-F357 HydrophobicContact CG-CD1 3.83Å; Y218-F357 HydrophobicContact CG-CE1 4.23Å; Y218-F357 HydrophobicContact CG-CG 4.03Å
219Y97.3Very high95.6Very high4 Ų451.6 Ų51.62%0.01627%0.265CS..Hα-helixtrans-66.2-21.3-171.6-74.7-63.4000113.5L215 Y241 D242 L244 I303 V331L215-Y219 HydrophobicContact CB-CD2 4.37Å; L215-Y219 HydrophobicContact CD2-CE2 4.24Å; L215-Y219 WeakPolarHBondContact O-CB 3.06Å; L215-Y219 VanDerWaalsContact O-CD2 3.28Å; L215-Y219 WeakPolarHBondContact O-CD2 3.02Å; L215-Y219 PolarHBondContact O-N 2.81Å; Y219-Y241 CarbonylContact O-C 3.53Å; Y219-Y241 VanDerWaalsContact O-CA 3.31Å; Y219-Y241 WeakPolarHBondContact O-CA 3.47Å; Y219-D242 HydrophobicContact CD1-CB 3.94Å; Y219-D242 PolarHBondContact O-N 3.39Å; Y219-L244 HydrophobicContact CD2-CD1 3.62Å; Y219-L244 HydrophobicContact CE2-CD1 3.65Å; Y219-I303 HydrophobicContact CE2-CD1 3.71Å; Y219-I303 HydrophobicContact CE2-CG1 3.99Å; Y219-I303 VanDerWaalsContact OH-CG1 3.27Å; Y219-I303 WeakPolarHBondContact OH-CG1 3.46Å; Y219-V331 HydrophobicContact CE2-CG2 4.33Å
220R96.3Very high95.8Very high121 Ų12150.7 Ų50.746%0.45727%0.268SS..THydrogen-bonded Turntrans-99.58.8173.8-53.3-52.2-54169.9-1.2113.3L216 Y218 L222 D242L216-R220 HydrophobicContact CD2-CG 4.26Å; L216-R220 WeakPolarHBondContact O-CA 3.2Å; L216-R220 WeakPolarHBondContact O-CB 3.31Å; L216-R220 WeakPolarHBondContact O-CG 3.34Å; L216-R220 PolarHBondContact O-N 2.96Å; Y218-R220 PolarHBondContact O-N 3.03Å; Y218-R220 VanDerWaalsContact O-N 3.13Å; R220-L222 HydrophobicContact CB-CG 4.19Å; R220-L222 PolarHBondContact O-N 3.16Å; R220-D242 PolarHBondContact NH1-O 3.25Å
221G95.5Very high96Very high2 Ų254.4 Ų54.42%0.02129%0.285CS..THydrogen-bonded Turntrans66.819.4175.200000114.3Y218 E224 A225 H240Y218-G221 PolarHBondContact O-N 2.94Å; G221-E224 PolarHBondContact O-N 3.41Å; G221-A225 VanDerWaalsContact O-CB 3.3Å; G221-A225 WeakPolarHBondContact O-CB 3.49Å; G221-A225 PolarHBondContact O-N 2.68Å; G221-H240 WeakPolarHBondContact CA-O 3.13Å; G221-H240 PolarHBondContact N-O 3.08Å
222L95.8Very high96Very high93 Ų9363.9 Ų63.949%0.48733%0.327SS..Hα-helixtrans-69.4-36.4-176.2-54178.2000111.4G217 R220 E224 A225 V226G217-L222 PolarHBondContact O-N 3.28Å; R220-L222 HydrophobicContact CB-CG 4.19Å; R220-L222 PolarHBondContact O-N 3.16Å; L222-E224 VanDerWaalsContact C-N 3.32Å; L222-E224 PolarHBondContact O-N 3.37Å; L222-A225 PolarHBondContact O-N 3.1Å; L222-V226 WeakPolarHBondContact O-CG2 3.48Å; L222-V226 PolarHBondContact O-N 2.6Å
223N94.3Very high96.1Very high48 Ų4866.8 Ų66.826%0.25734%0.34SS..Hα-helixtrans-59.8-45.6178.1-64.1-8000110.8G217 K227G217-N223 PolarHBondContact O-N 2.91Å; G217-N223 VanDerWaalsContact O-N 3.12Å; N223-K227 PolarHBondContact O-N 3.46Å
224E94.2Very high96Very high66 Ų6675.9 Ų75.931%0.30836%0.361SS..Hα-helixtrans-68.7-42.2174-70.2-172.6-114.600112.2G221 L222 V226 K227 K228 I239 H240G221-E224 PolarHBondContact O-N 3.41Å; L222-E224 VanDerWaalsContact C-N 3.32Å; L222-E224 PolarHBondContact O-N 3.37Å; E224-V226 PolarHBondContact O-N 3.43Å; E224-K227 CarbonylContact O-C 3.6Å; E224-K227 WeakPolarHBondContact O-CA 3.5Å; E224-K227 WeakPolarHBondContact O-CB 3.37Å; E224-K227 PolarHBondContact O-N 3.04Å; E224-K228 WeakPolarHBondContact O-CG 3.45Å; E224-K228 PolarHBondContact O-N 2.98Å; E224-I239 HydrophobicContact CB-CG1 4.21Å; E224-I239 HydrophobicContact CB-CG2 4.4Å; E224-H240 WeakPolarHBondContact OE1-CB 3.49Å; E224-H240 PolarHBondContact OE1-N 2.99Å; E224-H240 VanDerWaalsContact OE1-N 3.16Å
225A95.4Very high95.8Very high34 Ų3475.9 Ų75.928%0.28136%0.362SS..Hα-helixtrans-57.3-39.1179.100000111.9G221 L222 K228 Q229 I239G221-A225 VanDerWaalsContact O-CB 3.3Å; G221-A225 WeakPolarHBondContact O-CB 3.49Å; G221-A225 PolarHBondContact O-N 2.68Å; L222-A225 PolarHBondContact O-N 3.1Å; A225-K228 PolarHBondContact O-N 3.09Å; A225-Q229 VanDerWaalsContact O-CB 3.31Å; A225-Q229 WeakPolarHBondContact O-CB 3.44Å; A225-Q229 PolarHBondContact O-N 3.42Å; A225-I239 HydrophobicContact CB-CD1 4.05Å
226V95Very high95.4Very high91 Ų9183.4 Ų83.455%0.55240%0.397SS*.Hα-helixtrans-61.9-45.8174171.20000111L222 E224 K228 Q229 T230L222-V226 WeakPolarHBondContact O-CG2 3.48Å; L222-V226 PolarHBondContact O-N 2.6Å; E224-V226 PolarHBondContact O-N 3.43Å; V226-K228 PolarHBondContact O-N 3.39Å; V226-Q229 PolarHBondContact O-N 3.34Å; V226-T230 PolarHBondContact O-N 3.28Å
227K93.4Very high95.1Very high88 Ų8890.5 Ų90.538%0.38343%0.425SS..Hα-helixtrans-62.1-40.2175.4-66.1-179.5177.8-176.30111.8N223 E224 T230 Q231 D378N223-K227 PolarHBondContact O-N 3.46Å; E224-K227 CarbonylContact O-C 3.6Å; E224-K227 WeakPolarHBondContact O-CA 3.5Å; E224-K227 WeakPolarHBondContact O-CB 3.37Å; E224-K227 PolarHBondContact O-N 3.04Å; K227-T230 PolarHBondContact O-OG1 3.49Å; K227-Q231 WeakPolarHBondContact O-CG 3.48Å; K227-Q231 PolarHBondContact O-N 3.45Å; K227-D378 PolarHBondContact NZ-O 3.27Å; K227-D378 IonicContact NZ-OD1 2.86Å; K227-D378 PolarHBondContact NZ-OD1 2.95Å
228K95.2Very high94.7Very high45 Ų4593.3 Ų93.320%0.19644%0.444CS..Hα-helixtrans-72-33.9178.9-66.8-57.9-169.5178.50113.1E224 A225 V226 Q231 K232 E233 A235 I239E224-K228 WeakPolarHBondContact O-CG 3.45Å; E224-K228 PolarHBondContact O-N 2.98Å; A225-K228 PolarHBondContact O-N 3.09Å; V226-K228 PolarHBondContact O-N 3.39Å; K228-Q231 CarbonylContact O-C 3.59Å; K228-Q231 WeakPolarHBondContact O-CB 3.24Å; K228-Q231 PolarHBondContact O-N 3.26Å; K228-K232 PolarHBondContact O-N 3.12Å; K228-K232 VanDerWaalsContact O-N 3.07Å; K228-E233 HydrophobicContact CD-CB 4.4Å; K228-E233 WeakPolarHBondContact CD-OE2 2.99Å; K228-E233 IonicContact NZ-OE1 3.58Å; K228-E233 IonicContact NZ-OE2 3.16Å; K228-E233 PolarHBondContact NZ-OE2 2.73Å; K228-E233 PolarHBondContact O-N 3.33Å; K228-A235 HydrophobicContact CB-CB 4.25Å; K228-A235 HydrophobicContact CD-CB 3.85Å; K228-A235 HydrophobicContact CG-CB 3.79Å; K228-I239 HydrophobicContact CG-CG1 4.49Å
229Q96.2Very high94.5Very high151 Ų15194 Ų9471%0.70645%0.449SS*.Hα-helixtrans-64-42.1175.2-178.6-179.9-16.200111.8A225 V226 Q231 K232A225-Q229 VanDerWaalsContact O-CB 3.31Å; A225-Q229 WeakPolarHBondContact O-CB 3.44Å; A225-Q229 PolarHBondContact O-N 3.42Å; V226-Q229 PolarHBondContact O-N 3.34Å; Q229-Q231 PolarHBondContact O-N 2.96Å; Q229-K232 PolarHBondContact O-N 3.02Å
230T96.5Very high94.1Very high112 Ų11297.3 Ų97.369%0.68746%0.464SS*.Hα-helixtrans-65.1-29.2176.560.60000111.9V226 K227 K232V226-T230 PolarHBondContact O-N 3.28Å; K227-T230 PolarHBondContact O-OG1 3.49Å; T230-K232 VanDerWaalsContact C-N 3.3Å
231Q96.6Very high93.9Very high115 Ų11599.2 Ų99.254%0.53747%0.473SS..THydrogen-bonded Turntrans-80.8-5.3173.3-63.9169.13.700113.6K227 K228 Q229 E233K227-Q231 WeakPolarHBondContact O-CG 3.48Å; K227-Q231 PolarHBondContact O-N 3.45Å; K228-Q231 CarbonylContact O-C 3.59Å; K228-Q231 WeakPolarHBondContact O-CB 3.24Å; K228-Q231 PolarHBondContact O-N 3.26Å; Q229-Q231 PolarHBondContact O-N 2.96Å; Q231-E233 HydrophobicContact CB-CB 4.42Å; Q231-E233 PolarHBondContact O-N 2.87Å
232K97.2Very high93.9Very high199 Ų199101.7 Ų101.787%0.86549%0.486SS*.THydrogen-bonded Turntrans56.933.8-174.2-53177.9-177.5176.60113.2K228 Q229 T230K228-K232 PolarHBondContact O-N 3.12Å; K228-K232 VanDerWaalsContact O-N 3.07Å; Q229-K232 PolarHBondContact O-N 3.02Å; T230-K232 VanDerWaalsContact C-N 3.3Å
233E96.8Very high93.8Very high92 Ų92103.1 Ų103.143%0.4349%0.49SS..  trans-104.4127.4-176.9-168.2-170156.600111.6K228 Q231 A235K228-E233 HydrophobicContact CD-CB 4.4Å; K228-E233 WeakPolarHBondContact CD-OE2 2.99Å; K228-E233 IonicContact NZ-OE1 3.58Å; K228-E233 IonicContact NZ-OE2 3.16Å; K228-E233 PolarHBondContact NZ-OE2 2.73Å; K228-E233 PolarHBondContact O-N 3.33Å; Q231-E233 HydrophobicContact CB-CB 4.42Å; Q231-E233 PolarHBondContact O-N 2.87Å; E233-A235 HydrophobicContact CG-CB 4Å; E233-A235 PolarHBondContact O-N 2.87Å; E233-A235 WeakPolarHBondContact OE1-CB 3.3Å
234W95.2Very high93.9Very high232 Ų232101.3 Ų101.388%0.87948%0.48SS*.  trans-85.579.1171.8-167.5-91.2000111Q236W234-Q236 PolarHBondContact O-N 3.09Å
235A91.3Very high94Very high9 Ų9100.2 Ų100.27%0.07448%0.483CS..  trans-96.945-16400000114.6K228 E233 K237 S238 I239K228-A235 HydrophobicContact CB-CB 4.25Å; K228-A235 HydrophobicContact CD-CB 3.85Å; K228-A235 HydrophobicContact CG-CB 3.79Å; E233-A235 HydrophobicContact CG-CB 4Å; E233-A235 PolarHBondContact O-N 2.87Å; E233-A235 WeakPolarHBondContact OE1-CB 3.3Å; A235-K237 PolarHBondContact O-N 3.22Å; A235-S238 VanDerWaalsContact CB-OG 3.23Å; A235-S238 WeakPolarHBondContact CB-OG 3.22Å; A235-S238 PolarHBondContact O-N 3.45Å; A235-S238 PolarHBondContact O-OG 3.25Å; A235-I239 PolarHBondContact O-N 2.95Å
236Q90.3Very high94.1Very high159 Ų159101.1 Ų101.174%0.74350%0.495SS*.THydrogen-bonded Turntrans-53.2-32.8-173.4-175.2-179.38.500114.3W234W234-Q236 PolarHBondContact O-N 3.09Å
237K90.3Very high94.3Very high213 Ų21398.2 Ų98.293%0.92648%0.475SS*.THydrogen-bonded Turntrans-85.4-20.7-177.4-66.3-176.9179.8179.40114A235A235-K237 PolarHBondContact O-N 3.22Å
238S88.9Confident94.5Very high62 Ų6295.7 Ų95.743%0.43447%0.466SS..THydrogen-bonded Turntrans-94.6-24.5-176.170.60000112.9A235 H240A235-S238 VanDerWaalsContact CB-OG 3.23Å; A235-S238 WeakPolarHBondContact CB-OG 3.22Å; A235-S238 PolarHBondContact O-N 3.45Å; A235-S238 PolarHBondContact O-OG 3.25Å; S238-H240 PolarHBondContact O-N 3.46Å
239I91.7Very high94.7Very high38 Ų3893.6 Ų93.620%0.19546%0.457CS..SBendtrans-71.7121-178.4-67.9171.8000109.5E224 A225 K228 A235E224-I239 HydrophobicContact CB-CG1 4.21Å; E224-I239 HydrophobicContact CB-CG2 4.4Å; A225-I239 HydrophobicContact CB-CD1 4.05Å; K228-I239 HydrophobicContact CG-CG1 4.49Å; A235-I239 PolarHBondContact O-N 2.95Å
240H90.1Very high94.8Very high73 Ų7386.4 Ų86.434%0.33842%0.423SS..  trans-66.1136.8171176.180.5000110.4G221 E224 S238G221-H240 WeakPolarHBondContact CA-O 3.13Å; G221-H240 PolarHBondContact N-O 3.08Å; E224-H240 WeakPolarHBondContact OE1-CB 3.49Å; E224-H240 PolarHBondContact OE1-N 2.99Å; E224-H240 VanDerWaalsContact OE1-N 3.16Å; S238-H240 PolarHBondContact O-N 3.46Å
241Y92.1Very high94.9Very high161 Ų16181 Ų8163%0.63139%0.39SS*.  trans-146.1148.8166.478.5-86.7000110.5Y219Y219-Y241 CarbonylContact O-C 3.53Å; Y219-Y241 VanDerWaalsContact O-CA 3.31Å; Y219-Y241 WeakPolarHBondContact O-CA 3.47Å
242D95.3Very high95Very high54 Ų5475.6 Ų75.629%0.28937%0.365SS..  trans-148.8175.4173.2-163-3000109.1Y219 R220 K247Y219-D242 HydrophobicContact CD1-CB 3.94Å; Y219-D242 PolarHBondContact O-N 3.39Å; R220-D242 PolarHBondContact NH1-O 3.25Å; D242-K247 VanDerWaalsContact CG-NZ 3.31Å; D242-K247 IonicContact OD1-NZ 3.87Å; D242-K247 PolarHBondContact OD1-NZ 2.79Å; D242-K247 VanDerWaalsContact OD2-CE 3.27Å; D242-K247 WeakPolarHBondContact OD2-CE 3.45Å; D242-K247 IonicContact OD2-NZ 3.46Å; D242-K247 PolarHBondContact OD2-NZ 3.13Å
243Q94.6Very high94.9Very high123 Ų12366.6 Ų66.658%0.57533%0.329SS*.  trans-94.4137.9171.662-172.5-30.700110.7K247Q243-K247 PolarHBondContact O-NZ 2.85Å
244L95.9Very high94.8Very high11 Ų1162.7 Ų62.76%0.05831%0.311CS..SBendtrans-73.9-32.1171.8-174.363.7000111.2L215 L216 Y219 G246 K247 I265 L268 V270 I303L215-L244 HydrophobicContact CB-CD1 4.31Å; L215-L244 HydrophobicContact CD1-CD1 4.44Å; L216-L244 HydrophobicContact CD2-CD2 4.42Å; Y219-L244 HydrophobicContact CD2-CD1 3.62Å; Y219-L244 HydrophobicContact CE2-CD1 3.65Å; L244-G246 PolarHBondContact O-N 3.06Å; L244-K247 VanDerWaalsContact O-CB 3.29Å; L244-K247 WeakPolarHBondContact O-CB 3.32Å; L244-K247 VanDerWaalsContact O-CG 3.29Å; L244-K247 WeakPolarHBondContact O-CG 3.29Å; L244-K247 PolarHBondContact O-N 3.48Å; L244-I265 HydrophobicContact CD2-CD1 4.4Å; L244-I265 HydrophobicContact CD2-CG1 4.42Å; L244-L268 HydrophobicContact CD2-CB 4.26Å; L244-L268 HydrophobicContact CD2-CD1 3.85Å; L244-V270 HydrophobicContact CD1-CG2 3.94Å; L244-V270 HydrophobicContact CD2-CG2 4.07Å; L244-V270 HydrophobicContact CG-CG2 3.52Å; L244-V270 WeakPolarHBondContact O-CG2 3.4Å; L244-I303 HydrophobicContact CD1-CD1 3.69Å
245A96.8Very high94.5Very high43 Ų4353.8 Ų53.836%0.35529%0.291SS..THydrogen-bonded Turntrans-59.1137.1176.900000111.7K247 L268A245-K247 VanDerWaalsContact C-N 3.28Å; A245-K247 PolarHBondContact O-N 3.46Å; A245-L268 WeakPolarHBondContact CA-O 3.35Å; A245-L268 WeakPolarHBondContact CB-O 3.04Å
246G97.2Very high94.2Very high53 Ų5359.2 Ų59.255%0.54632%0.315SS..THydrogen-bonded Turntrans82.6-7.7-178.400000115.1L244 G269L244-G246 PolarHBondContact O-N 3.06Å; G246-G269 PolarHBondContact N-O 2.94Å
247K98.4Very high94Very high29 Ų2953.4 Ų53.413%0.12629%0.288CS..  trans-71.4148.1176.6-64.9-70.9-171.1-67.70111.5D242 Q243 L244 A245 V270 N271 D302 I303D242-K247 VanDerWaalsContact CG-NZ 3.31Å; D242-K247 IonicContact OD1-NZ 3.87Å; D242-K247 PolarHBondContact OD1-NZ 2.79Å; D242-K247 VanDerWaalsContact OD2-CE 3.27Å; D242-K247 WeakPolarHBondContact OD2-CE 3.45Å; D242-K247 IonicContact OD2-NZ 3.46Å; D242-K247 PolarHBondContact OD2-NZ 3.13Å; Q243-K247 PolarHBondContact O-NZ 2.85Å; L244-K247 VanDerWaalsContact O-CB 3.29Å; L244-K247 WeakPolarHBondContact O-CB 3.32Å; L244-K247 VanDerWaalsContact O-CG 3.29Å; L244-K247 WeakPolarHBondContact O-CG 3.29Å; L244-K247 PolarHBondContact O-N 3.48Å; A245-K247 VanDerWaalsContact C-N 3.28Å; A245-K247 PolarHBondContact O-N 3.46Å; K247-V270 WeakPolarHBondContact O-CG1 3.45Å; K247-N271 PolarHBondContact O-N 3.49Å; K247-D302 WeakPolarHBondContact CA-OD2 3.46Å; K247-D302 HydrophobicContact CB-CB 4.25Å; K247-D302 HydrophobicContact CD-CB 3.67Å; K247-I303 HydrophobicContact CB-CD1 4.22Å
248N98.6Very high94.1Very high36 Ų3643.3 Ų43.319%0.19325%0.245CC..EExtended strand (participates in β ladder)trans-94.4121.3171.8-67.9-18.7000110.2N271 F273 E300 M301 D302 I303N248-N271 WeakPolarHBondContact OD1-CB 3.48Å; N248-N271 PolarHBondContact OD1-ND2 3.46Å; N248-F273 HydrophobicContact CB-CD2 4.38Å; N248-F273 HydrophobicContact CB-CE2 4.01Å; N248-E300 PolarHBondContact ND2-O 2.87Å; N248-M301 HydrophobicContact CB-CE 4.02Å; N248-M301 HydrophobicContact CB-SD 4.08Å; N248-D302 PolarHBondContact N-OD2 3.35Å; N248-D302 PolarHBondContact O-N 3.23Å; N248-I303 PolarHBondContact O-N 3.46Å; N248-I303 VanDerWaalsContact O-N 3.08Å
249L98.7Very high94.3Very high0 Ų043.6 Ų43.60%024%0.239CC..EExtended strand (participates in β ladder)trans-111.6125.9178.1-174.3158.2000110.6L215 V251 L261 I265 V270 N271 V272 F273 I303 V305L215-L249 HydrophobicContact CD1-CD1 4.02Å; L249-V251 HydrophobicContact CD2-CB 4.36Å; L249-V251 HydrophobicContact CD2-CG2 3.24Å; L249-L261 HydrophobicContact CD2-CD2 4.47Å; L249-I265 HydrophobicContact CD1-CD1 3.63Å; L249-V270 HydrophobicContact CB-CG1 3.55Å; L249-V270 HydrophobicContact CD1-CG1 4.3Å; L249-N271 PolarHBondContact N-O 3.36Å; L249-V272 HydrophobicContact CD2-CG1 4.07Å; L249-V272 CarbonylContact O-C 3.5Å; L249-V272 WeakPolarHBondContact O-CA 3.42Å; L249-F273 PolarHBondContact O-N 2.72Å; L249-I303 CarbonylContact C-O 3.52Å; L249-I303 WeakPolarHBondContact CA-O 3.4Å; L249-I303 HydrophobicContact CB-CB 4.14Å; L249-I303 HydrophobicContact CB-CD1 4.4Å; L249-I303 HydrophobicContact CD1-CB 4.29Å; L249-I303 HydrophobicContact CD1-CD1 4.22Å; L249-I303 HydrophobicContact CD1-CG2 3.95Å; L249-I303 HydrophobicContact CG-CB 3.95Å; L249-I303 HydrophobicContact CG-CG2 3.91Å; L249-V305 HydrophobicContact CD1-CG2 4.17Å; L249-V305 HydrophobicContact CD2-CG2 4.08Å; L249-V305 HydrophobicContact CG-CG2 4.14Å
250L98.7Very high94.2Very high0 Ų044.7 Ų44.70%024%0.243CC..EExtended strand (participates in β ladder)trans-98.3114.5171.6-169.165.4000110.8V252 F273 I275 M294 I297 V298 M301 I303 V304 V305L250-V252 HydrophobicContact CD2-CG2 4.46Å; L250-V252 HydrophobicContact CG-CG2 4.44Å; L250-F273 HydrophobicContact CD1-CB 3.78Å; L250-I275 HydrophobicContact CD1-CD1 3.91Å; L250-I275 HydrophobicContact CD1-CG1 3.77Å; L250-I275 HydrophobicContact CD2-CD1 4.34Å; L250-I275 HydrophobicContact CD2-CG1 3.97Å; L250-I275 HydrophobicContact CG-CD1 4.49Å; L250-I275 HydrophobicContact CG-CG1 3.95Å; L250-M294 HydrophobicContact CD2-CG 4.39Å; L250-I297 HydrophobicContact CD1-CG2 4.25Å; L250-I297 HydrophobicContact CD2-CG2 4.2Å; L250-V298 HydrophobicContact CD2-CG2 3.73Å; L250-M301 HydrophobicContact CB-CB 4.16Å; L250-M301 HydrophobicContact CB-CG 3.71Å; L250-M301 HydrophobicContact CB-SD 3.82Å; L250-M301 HydrophobicContact CD1-CG 4.49Å; L250-M301 HydrophobicContact CD1-SD 4.23Å; L250-M301 HydrophobicContact CD2-CG 4.2Å; L250-M301 HydrophobicContact CG-CG 4.36Å; L250-I303 PolarHBondContact N-O 3.2Å; L250-V304 HydrophobicContact CB-CG2 4.42Å; L250-V305 PolarHBondContact O-N 3.07Å
251V98.4Very high94.4Very high0 Ų041.2 Ų41.20%023%0.227CC..EExtended strand (participates in β ladder)trans-92.6114.2171.3-170.80000109.1L249 G253 L261 V272 F273 G274 I275 F285 I307L249-V251 HydrophobicContact CD2-CB 4.36Å; L249-V251 HydrophobicContact CD2-CG2 3.24Å; V251-G253 WeakPolarHBondContact CG1-O 3.31Å; V251-G253 PolarHBondContact O-N 3.36Å; V251-L261 HydrophobicContact CG1-CD2 4.46Å; V251-L261 HydrophobicContact CG2-CD2 3.9Å; V251-V272 HydrophobicContact CG2-CG1 3.67Å; V251-F273 PolarHBondContact N-O 3.46Å; V251-G274 CarbonylContact O-C 3.59Å; V251-G274 WeakPolarHBondContact O-CA 3.34Å; V251-I275 PolarHBondContact O-N 2.8Å; V251-F285 HydrophobicContact CB-CE1 3.8Å; V251-F285 HydrophobicContact CB-CZ 4.29Å; V251-F285 HydrophobicContact CG2-CE1 3.77Å; V251-F285 HydrophobicContact CG2-CZ 4.37Å; V251-I307 HydrophobicContact CG1-CD1 3.77Å; V251-I307 HydrophobicContact CG1-CG1 4.26Å
252V98Very high94.6Very high0 Ų033.5 Ų33.50%020%0.197CC..EExtended strand (participates in β ladder)trans-87.894.9172.6-166.40000108.6L250 I275 M294 V304 V305 I307 L308 F318L250-V252 HydrophobicContact CD2-CG2 4.46Å; L250-V252 HydrophobicContact CG-CG2 4.44Å; V252-I275 HydrophobicContact CB-CB 4.42Å; V252-I275 HydrophobicContact CG1-CB 4.05Å; V252-I275 HydrophobicContact CG1-CG2 4.15Å; V252-I275 HydrophobicContact CG2-CB 4.45Å; V252-I275 HydrophobicContact CG2-CG1 4.23Å; V252-M294 HydrophobicContact CG1-SD 3.79Å; V252-M294 HydrophobicContact CG2-SD 3.82Å; V252-V304 HydrophobicContact CG2-CG1 4.19Å; V252-V305 PolarHBondContact N-O 3.34Å; V252-I307 PolarHBondContact O-N 2.92Å; V252-L308 HydrophobicContact CG1-CD1 3.53Å; V252-L308 HydrophobicContact CG1-CD2 4.33Å; V252-L308 HydrophobicContact CG1-CG 3.9Å; V252-L308 WeakPolarHBondContact O-CG 3.46Å; V252-F318 HydrophobicContact CB-CE1 4.42Å; V252-F318 HydrophobicContact CB-CZ 3.78Å; V252-F318 HydrophobicContact CG1-CZ 4.04Å; V252-F318 HydrophobicContact CG2-CE1 3.86Å; V252-F318 HydrophobicContact CG2-CZ 3.7Å
253G95.2Very high94.4Very high11 Ų1139 Ų3911%0.11322%0.219CC..  trans121.694.6-171.700000112.8V251 G255 I275V251-G253 WeakPolarHBondContact CG1-O 3.31Å; V251-G253 PolarHBondContact O-N 3.36Å; G253-G255 VanDerWaalsContact C-N 3.29Å; G253-G255 PolarHBondContact O-N 3.11Å; G253-I275 PolarHBondContact N-O 2.96Å
254T94.4Very high94.3Very high10 Ų1035.1 Ų35.16%0.06121%0.205CC..  trans-88.922.8-179.660.90000114.7Q259 N276 V282 F285 T288T254-Q259 PolarHBondContact O-NE2 3.42Å; T254-N276 HydrophobicContact CG2-CB 4.28Å; T254-N276 VanDerWaalsContact OG1-CB 3.23Å; T254-N276 WeakPolarHBondContact OG1-CB 3.21Å; T254-N276 PolarHBondContact OG1-ND2 3.46Å; T254-N276 VanDerWaalsContact OG1-ND2 3.16Å; T254-V282 HydrophobicContact CG2-CG2 4.48Å; T254-F285 HydrophobicContact CG2-CD2 4.33Å; T254-F285 HydrophobicContact CG2-CE1 4.17Å; T254-F285 HydrophobicContact CG2-CE2 3.97Å; T254-F285 HydrophobicContact CG2-CZ 3.89Å; T254-T288 HydrophobicContact CG2-CG2 4.38Å
255G88.8Confident94.3Very high44 Ų4434.6 Ų34.645%0.45420%0.202SC..SBendtrans-68.8-169.6174.600000112.9G253 I257 G258 Q259G253-G255 VanDerWaalsContact C-N 3.29Å; G253-G255 PolarHBondContact O-N 3.11Å; G255-I257 VanDerWaalsContact C-N 3.27Å; G255-I257 PolarHBondContact O-N 2.87Å; G255-G258 PolarHBondContact O-N 3.14Å; G255-Q259 PolarHBondContact O-N 3.16Å
256H85.1Confident94.2Very high123 Ų12338.2 Ų38.257%0.56921%0.211SC*.Hα-helixtrans-52.8-42-178.6-73.2-71.7000113.4V204 Q260V204-H256 HydrophobicContact CG1-CB 3.78Å; V204-H256 WeakPolarHBondContact CG1-O 3.47Å; V204-H256 HydrophobicContact CG2-CB 3.94Å; H256-Q260 PolarHBondContact O-N 2.97Å
257I86.3Confident94Very high37 Ų3740.4 Ų40.419%0.1922%0.218CC..Hα-helixtrans-64.7-46.9178.7-60.4152.6000110.7I203 V204 L207 G255 Q259 Q260 L261 I307I203-I257 HydrophobicContact CG2-CD1 3.79Å; I203-I257 HydrophobicContact CG2-CG1 4.35Å; V204-I257 HydrophobicContact CB-CG1 4.39Å; V204-I257 HydrophobicContact CG2-CG1 4.26Å; L207-I257 HydrophobicContact CB-CG2 3.66Å; L207-I257 HydrophobicContact CD2-CD1 4.16Å; L207-I257 HydrophobicContact CD2-CG2 3.82Å; L207-I257 HydrophobicContact CG-CG2 4.37Å; G255-I257 VanDerWaalsContact C-N 3.27Å; G255-I257 PolarHBondContact O-N 2.87Å; I257-Q259 PolarHBondContact O-N 3.4Å; I257-Q260 PolarHBondContact O-N 3.07Å; I257-L261 PolarHBondContact O-N 3.33Å; I257-I307 HydrophobicContact CB-CG2 3.91Å; I257-I307 HydrophobicContact CD1-CG2 4Å; I257-I307 HydrophobicContact CG2-CD1 4.02Å; I257-I307 HydrophobicContact CG2-CG2 3.59Å
258G93.1Very high93.8Very high1 Ų142.4 Ų42.41%0.0123%0.23CC..Hα-helixtrans-62.8-40.8179.700000112.6G255 L261 S262 F285G255-G258 PolarHBondContact O-N 3.14Å; G258-L261 PolarHBondContact O-N 3.42Å; G258-S262 WeakPolarHBondContact O-CB 3.47Å; G258-S262 PolarHBondContact O-N 3.23Å; G258-F285 WeakPolarHBondContact O-CZ 3.28Å
259Q92.8Very high93.7Very high68 Ų6842.4 Ų42.432%0.31824%0.239SC..Hα-helixtrans-63.3-41.9174.9-73.4172.156.400112.1T254 G255 I257 S262 K263 V282 F285T254-Q259 PolarHBondContact O-NE2 3.42Å; G255-Q259 PolarHBondContact O-N 3.16Å; I257-Q259 PolarHBondContact O-N 3.4Å; Q259-S262 WeakPolarHBondContact O-CB 3.38Å; Q259-S262 PolarHBondContact O-N 3.15Å; Q259-K263 WeakPolarHBondContact O-CB 3.39Å; Q259-K263 PolarHBondContact O-N 3.46Å; Q259-V282 HydrophobicContact CG-CG1 3.48Å; Q259-V282 VanDerWaalsContact CG-CG1 3.48Å; Q259-F285 HydrophobicContact CG-CE2 3.99Å
260Q90Very high93.7Very high61 Ų6142.4 Ų42.429%0.28524%0.239SC..Hα-helixtrans-67.5-40.4176.5-178.1165.3-13.800112.5V204 A205 H256 I257 K263 S264V204-Q260 HydrophobicContact CG1-CB 4.31Å; V204-Q260 PolarHBondContact O-OE1 2.91Å; A205-Q260 VanDerWaalsContact CA-NE2 3.3Å; A205-Q260 VanDerWaalsContact CA-OE1 3.27Å; A205-Q260 PolarHBondContact O-NE2 3.24Å; H256-Q260 PolarHBondContact O-N 2.97Å; I257-Q260 PolarHBondContact O-N 3.07Å; Q260-K263 PolarHBondContact O-N 2.84Å; Q260-S264 WeakPolarHBondContact O-CB 3.41Å; Q260-S264 PolarHBondContact O-N 3.34Å; Q260-S264 PolarHBondContact O-OG 3.44Å
261L94.2Very high93.7Very high0 Ų045.7 Ų45.70%026%0.256CS..Hα-helixtrans-58.4-51.8173.3172.263.5000110S208 I211 I212 L249 V251 I257 G258 K263 S264 I265 V305 I307S208-L261 VanDerWaalsContact OG-CA 3.29Å; S208-L261 WeakPolarHBondContact OG-CA 3.42Å; S208-L261 PolarHBondContact OG-N 3.45Å; S208-L261 VanDerWaalsContact OG-N 3.12Å; I211-L261 HydrophobicContact CB-CD1 4.17Å; I211-L261 HydrophobicContact CD1-CD1 4.25Å; I211-L261 HydrophobicContact CD1-CD2 3.8Å; I211-L261 HydrophobicContact CG2-CD1 3.95Å; I211-L261 HydrophobicContact CG2-CD2 4.3Å; I212-L261 HydrophobicContact CG1-CD1 4.49Å; L249-L261 HydrophobicContact CD2-CD2 4.47Å; V251-L261 HydrophobicContact CG1-CD2 4.46Å; V251-L261 HydrophobicContact CG2-CD2 3.9Å; I257-L261 PolarHBondContact O-N 3.33Å; G258-L261 PolarHBondContact O-N 3.42Å; L261-K263 VanDerWaalsContact C-N 3.35Å; L261-K263 PolarHBondContact O-N 2.8Å; L261-S264 PolarHBondContact O-N 2.91Å; L261-S264 VanDerWaalsContact O-N 3.13Å; L261-I265 HydrophobicContact CD1-CB 4.31Å; L261-I265 HydrophobicContact CD1-CD1 4.36Å; L261-I265 HydrophobicContact CD1-CG2 4.47Å; L261-I265 WeakPolarHBondContact O-CB 3.29Å; L261-I265 VanDerWaalsContact O-CG2 3.24Å; L261-I265 WeakPolarHBondContact O-CG2 3.45Å; L261-I265 PolarHBondContact O-N 3.1Å; L261-V305 HydrophobicContact CD2-CG1 4.27Å; L261-I307 HydrophobicContact CD2-CD1 3.93Å
262S95.6Very high93.7Very high0 Ų045.9 Ų45.90%026%0.257CS..Hα-helixtrans-50.3-54.1177.3147.70000111.2G258 Q259 S264 H266 G284G258-S262 WeakPolarHBondContact O-CB 3.47Å; G258-S262 PolarHBondContact O-N 3.23Å; Q259-S262 WeakPolarHBondContact O-CB 3.38Å; Q259-S262 PolarHBondContact O-N 3.15Å; S262-S264 VanDerWaalsContact C-N 3.33Å; S262-S264 PolarHBondContact O-N 3.32Å; S262-H266 VanDerWaalsContact O-CB 3.24Å; S262-H266 WeakPolarHBondContact O-CB 3.48Å; S262-H266 PolarHBondContact O-N 2.94Å; S262-G284 VanDerWaalsContact OG-CA 3.3Å; S262-G284 WeakPolarHBondContact OG-CA 3.18Å; S262-G284 PolarHBondContact OG-O 3.18Å
263K92.4Very high93.7Very high170 Ų17047 Ų4774%0.73926%0.263SS*.Hα-helixtrans-59.3-42.2179.7-177.1175.7-178.7173.20112.7Q259 Q260 L261Q259-K263 WeakPolarHBondContact O-CB 3.39Å; Q259-K263 PolarHBondContact O-N 3.46Å; Q260-K263 PolarHBondContact O-N 2.84Å; L261-K263 VanDerWaalsContact C-N 3.35Å; L261-K263 PolarHBondContact O-N 2.8Å
264S92.3Very high93.9Very high40 Ų4046.5 Ų46.528%0.2826%0.257SS..Hα-helixtrans-73.1-46.4-175-54.10000111.4Q260 L261 S262 S267Q260-S264 WeakPolarHBondContact O-CB 3.41Å; Q260-S264 PolarHBondContact O-N 3.34Å; Q260-S264 PolarHBondContact O-OG 3.44Å; L261-S264 PolarHBondContact O-N 2.91Å; L261-S264 VanDerWaalsContact O-N 3.13Å; S262-S264 VanDerWaalsContact C-N 3.33Å; S262-S264 PolarHBondContact O-N 3.32Å; S264-S267 PolarHBondContact O-N 3.2Å; S264-S267 PolarHBondContact O-OG 3Å
265I95.6Very high94Very high0 Ų046.1 Ų46.10%025%0.254CS..Hα-helixtrans-78.4-23.7-174.4-157159.2000112.9I212 L215 L244 L249 L261 S267 L268 V270 V272I212-I265 HydrophobicContact CD1-CB 4.48Å; I212-I265 HydrophobicContact CG1-CB 4.45Å; I212-I265 HydrophobicContact CG1-CD1 4.16Å; I212-I265 HydrophobicContact CG1-CG1 4.32Å; L215-I265 HydrophobicContact CD1-CD1 3.54Å; L244-I265 HydrophobicContact CD2-CD1 4.4Å; L244-I265 HydrophobicContact CD2-CG1 4.42Å; L249-I265 HydrophobicContact CD1-CD1 3.63Å; L261-I265 HydrophobicContact CD1-CB 4.31Å; L261-I265 HydrophobicContact CD1-CD1 4.36Å; L261-I265 HydrophobicContact CD1-CG2 4.47Å; L261-I265 WeakPolarHBondContact O-CB 3.29Å; L261-I265 VanDerWaalsContact O-CG2 3.24Å; L261-I265 WeakPolarHBondContact O-CG2 3.45Å; L261-I265 PolarHBondContact O-N 3.1Å; I265-S267 PolarHBondContact O-N 3.48Å; I265-L268 HydrophobicContact CG1-CD1 4.49Å; I265-L268 WeakPolarHBondContact O-CB 3.36Å; I265-L268 PolarHBondContact O-N 2.83Å; I265-V270 HydrophobicContact CD1-CG2 4.29Å; I265-V270 HydrophobicContact CG1-CB 3.99Å; I265-V270 HydrophobicContact CG1-CG1 4.39Å; I265-V270 HydrophobicContact CG1-CG2 3.76Å; I265-V270 HydrophobicContact CG2-CB 4.32Å; I265-V270 HydrophobicContact CG2-CG1 4.42Å; I265-V272 HydrophobicContact CG2-CG2 3.48Å; I265-V272 VanDerWaalsContact CG2-CG2 3.48Å
266H93.9Very high94.4Very high119 Ų11944.7 Ų44.755%0.55124%0.236SC*.Hα-helixtrans-58-33.2173-169.168.7000112.1S262 L268 G269 V270S262-H266 VanDerWaalsContact O-CB 3.24Å; S262-H266 WeakPolarHBondContact O-CB 3.48Å; S262-H266 PolarHBondContact O-N 2.94Å; H266-L268 PolarHBondContact O-N 3.36Å; H266-L268 VanDerWaalsContact O-N 3.15Å; H266-G269 PolarHBondContact O-N 3.34Å; H266-V270 PolarHBondContact ND1-O 2.83Å
267S92.9Very high94.8Very high99 Ų9943.5 Ų43.569%0.69224%0.238SC*.THydrogen-bonded Turntrans-63.9-17.1175.273.80000114.2S264 I265S264-S267 PolarHBondContact O-N 3.2Å; S264-S267 PolarHBondContact O-OG 3Å; I265-S267 PolarHBondContact O-N 3.48Å
268L95.8Very high95.2Very high71 Ų7146.5 Ų46.537%0.37226%0.258SS..THydrogen-bonded Turntrans-93.87.7174.7-58.2176.8000112.6I212 L244 A245 I265 H266I212-L268 HydrophobicContact CG2-CD1 3.89Å; L244-L268 HydrophobicContact CD2-CB 4.26Å; L244-L268 HydrophobicContact CD2-CD1 3.85Å; A245-L268 WeakPolarHBondContact CA-O 3.35Å; A245-L268 WeakPolarHBondContact CB-O 3.04Å; I265-L268 HydrophobicContact CG1-CD1 4.49Å; I265-L268 WeakPolarHBondContact O-CB 3.36Å; I265-L268 PolarHBondContact O-N 2.83Å; H266-L268 PolarHBondContact O-N 3.36Å; H266-L268 VanDerWaalsContact O-N 3.15Å
269G96.3Very high95.3Very high37 Ų3747.5 Ų47.538%0.38127%0.269SS..THydrogen-bonded Turntrans81.119.5178.100000114.6G246 H266G246-G269 PolarHBondContact N-O 2.94Å; H266-G269 PolarHBondContact O-N 3.34Å
270V98.2Very high95.5Very high0 Ų048.8 Ų48.80%027%0.274CS..  trans-87.2135.4177.7-179.80000110.6L244 K247 L249 I265 H266 V272L244-V270 HydrophobicContact CD1-CG2 3.94Å; L244-V270 HydrophobicContact CD2-CG2 4.07Å; L244-V270 HydrophobicContact CG-CG2 3.52Å; L244-V270 WeakPolarHBondContact O-CG2 3.4Å; K247-V270 WeakPolarHBondContact O-CG1 3.45Å; L249-V270 HydrophobicContact CB-CG1 3.55Å; L249-V270 HydrophobicContact CD1-CG1 4.3Å; I265-V270 HydrophobicContact CD1-CG2 4.29Å; I265-V270 HydrophobicContact CG1-CB 3.99Å; I265-V270 HydrophobicContact CG1-CG1 4.39Å; I265-V270 HydrophobicContact CG1-CG2 3.76Å; I265-V270 HydrophobicContact CG2-CB 4.32Å; I265-V270 HydrophobicContact CG2-CG1 4.42Å; H266-V270 PolarHBondContact ND1-O 2.83Å; V270-V272 HydrophobicContact CG1-CG2 4.25Å
271N98.2Very high95.8Very high69 Ų6951.2 Ų51.237%0.36930%0.298SS..EExtended strand (participates in β ladder)trans-85.3123.1171.7-58.4-47.8000109K247 N248 L249 F273K247-N271 PolarHBondContact O-N 3.49Å; N248-N271 WeakPolarHBondContact OD1-CB 3.48Å; N248-N271 PolarHBondContact OD1-ND2 3.46Å; L249-N271 PolarHBondContact N-O 3.36Å; N271-F273 HydrophobicContact CB-CE2 3.91Å
272V98.4Very high95.9Very high3 Ų352.3 Ų52.32%0.01831%0.305CS..EExtended strand (participates in β ladder)trans-112.5121.2-171-169.10000111L249 V251 I265 V270 F285 A286L249-V272 HydrophobicContact CD2-CG1 4.07Å; L249-V272 CarbonylContact O-C 3.5Å; L249-V272 WeakPolarHBondContact O-CA 3.42Å; V251-V272 HydrophobicContact CG2-CG1 3.67Å; I265-V272 HydrophobicContact CG2-CG2 3.48Å; I265-V272 VanDerWaalsContact CG2-CG2 3.48Å; V270-V272 HydrophobicContact CG1-CG2 4.25Å; V272-F285 HydrophobicContact CG1-CD1 3.81Å; V272-F285 HydrophobicContact CG1-CE1 3.71Å; V272-F285 CarbonylContact O-C 3.57Å; V272-F285 WeakPolarHBondContact O-CA 3.15Å; V272-A286 PolarHBondContact O-N 3.5Å
273F98.5Very high95.8Very high25 Ų2560.7 Ų60.711%0.1134%0.344CS..EExtended strand (participates in β ladder)trans-110150.2177.4-61.4-96.7000109.6N248 L249 L250 V251 N271 A286 E287 Y289 M301N248-F273 HydrophobicContact CB-CD2 4.38Å; N248-F273 HydrophobicContact CB-CE2 4.01Å; L249-F273 PolarHBondContact O-N 2.72Å; L250-F273 HydrophobicContact CD1-CB 3.78Å; V251-F273 PolarHBondContact N-O 3.46Å; N271-F273 HydrophobicContact CB-CE2 3.91Å; F273-A286 HydrophobicContact CE1-CB 4.4Å; F273-E287 CarbonylContact C-O 3.47Å; F273-E287 WeakPolarHBondContact CA-O 3.37Å; F273-E287 HydrophobicContact CD1-CB 3.96Å; F273-E287 HydrophobicContact CE1-CB 4.26Å; F273-Y289 HydrophobicContact CD1-CE2 4.11Å; F273-M301 HydrophobicContact CB-SD 4.08Å; F273-M301 HydrophobicContact CD1-CE 4.4Å; F273-M301 HydrophobicContact CD2-CE 3.78Å; F273-M301 HydrophobicContact CD2-SD 3.71Å; F273-M301 HydrophobicContact CE2-CE 3.97Å; F273-M301 HydrophobicContact CE2-SD 4.41Å; F273-M301 HydrophobicContact CG-CE 4.02Å; F273-M301 HydrophobicContact CG-SD 3.99Å; F273-M301 HydrophobicContact CZ-CE 4.37Å
274G98.3Very high95.8Very high0 Ų054.6 Ų54.60%033%0.33CS..EExtended strand (participates in β ladder)trans-121.1142.1-17500000113.4V251 E287 T288 Y289V251-G274 CarbonylContact O-C 3.59Å; V251-G274 WeakPolarHBondContact O-CA 3.34Å; G274-E287 PolarHBondContact N-O 3.41Å; G274-T288 CarbonylContact O-C 3.51Å; G274-T288 VanDerWaalsContact O-CA 3.25Å; G274-T288 WeakPolarHBondContact O-CA 3.16Å; G274-Y289 PolarHBondContact O-N 2.87Å
275I98.4Very high96Very high1 Ų153.7 Ų53.71%0.00532%0.321CS..EExtended strand (participates in β ladder)trans-109.3131.4162.9-55.9-62.2000109.4L250 V251 V252 G253 Y289 I291 M294 I297L250-I275 HydrophobicContact CD1-CD1 3.91Å; L250-I275 HydrophobicContact CD1-CG1 3.77Å; L250-I275 HydrophobicContact CD2-CD1 4.34Å; L250-I275 HydrophobicContact CD2-CG1 3.97Å; L250-I275 HydrophobicContact CG-CD1 4.49Å; L250-I275 HydrophobicContact CG-CG1 3.95Å; V251-I275 PolarHBondContact O-N 2.8Å; V252-I275 HydrophobicContact CB-CB 4.42Å; V252-I275 HydrophobicContact CG1-CB 4.05Å; V252-I275 HydrophobicContact CG1-CG2 4.15Å; V252-I275 HydrophobicContact CG2-CB 4.45Å; V252-I275 HydrophobicContact CG2-CG1 4.23Å; G253-I275 PolarHBondContact N-O 2.96Å; I275-Y289 WeakPolarHBondContact CA-O 3.34Å; I275-Y289 HydrophobicContact CD1-CD2 4.47Å; I275-I291 HydrophobicContact CG2-CB 4.12Å; I275-I291 HydrophobicContact CG2-CG1 4.2Å; I275-M294 HydrophobicContact CD1-CB 4.1Å; I275-M294 HydrophobicContact CD1-CG 4.13Å; I275-M294 HydrophobicContact CG1-CB 4.35Å; I275-M294 HydrophobicContact CG1-CG 3.97Å; I275-M294 HydrophobicContact CG1-SD 4.18Å; I275-M294 HydrophobicContact CG2-CB 4.46Å; I275-M294 HydrophobicContact CG2-SD 4.29Å; I275-I297 HydrophobicContact CD1-CG2 3.98Å
276N96.1Very high96.1Very high14 Ų1457 Ų578%0.07535%0.348CS..EExtended strand (participates in β ladder)trans-142.7-178.5169.264.946.8000111T254 T278 G279 H280 Y289 S290 I291T254-N276 HydrophobicContact CG2-CB 4.28Å; T254-N276 VanDerWaalsContact OG1-CB 3.23Å; T254-N276 WeakPolarHBondContact OG1-CB 3.21Å; T254-N276 PolarHBondContact OG1-ND2 3.46Å; T254-N276 VanDerWaalsContact OG1-ND2 3.16Å; N276-T278 VanDerWaalsContact C-N 3.33Å; N276-T278 PolarHBondContact O-N 2.9Å; N276-T278 PolarHBondContact OD1-N 3.43Å; N276-G279 VanDerWaalsContact OD1-CA 3.26Å; N276-G279 WeakPolarHBondContact OD1-CA 3.43Å; N276-G279 PolarHBondContact OD1-N 3Å; N276-H280 PolarHBondContact ND2-CE1 3.25Å; N276-H280 PolarHBondContact ND2-NE2 3.39Å; N276-H280 PolarHBondContact ND2-O 3.24Å; N276-H280 PolarHBondContact OD1-CE1 3.13Å; N276-H280 PolarHBondContact OD1-N 3.39Å; N276-H280 PolarHBondContact OD1-ND1 3.41Å; N276-H280 VanDerWaalsContact OD1-ND1 3.13Å; N276-Y289 PolarHBondContact N-O 3.43Å; N276-S290 CarbonylContact O-C 3.51Å; N276-S290 VanDerWaalsContact O-CA 3.28Å; N276-S290 WeakPolarHBondContact O-CA 3.38Å; N276-I291 PolarHBondContact O-N 2.88Å
277T93.5Very high96.3Very high98 Ų9856.4 Ų56.460%0.60135%0.346SS*.SBendtrans-58.1-44-172.6500000112.6S290T277-S290 PolarHBondContact O-OG 3.47Å
278T94.6Very high96.5Very high101 Ų10152.6 Ų52.662%0.6232%0.318SS*.SBendtrans-114-10.7-168.956.20000114.9N276 H280N276-T278 VanDerWaalsContact C-N 3.33Å; N276-T278 PolarHBondContact O-N 2.9Å; N276-T278 PolarHBondContact OD1-N 3.43Å; T278-H280 PolarHBondContact OG1-ND1 2.9Å
279G95.3Very high96.6Very high22 Ų2251.7 Ų51.723%0.22731%0.31CS..  trans78.720.1-170.900000114.2N276 T288 S290N276-G279 VanDerWaalsContact OD1-CA 3.26Å; N276-G279 WeakPolarHBondContact OD1-CA 3.43Å; N276-G279 PolarHBondContact OD1-N 3Å; G279-T288 PolarHBondContact O-OG1 3.46Å; G279-S290 VanDerWaalsContact CA-N 3.28Å
280H96.8Very high96.7Very high94 Ų9450.7 Ų50.744%0.43530%0.298SS..  trans-66.9142.1176.861.9-87.1000111.1N276 T278 T288N276-H280 PolarHBondContact ND2-CE1 3.25Å; N276-H280 PolarHBondContact ND2-NE2 3.39Å; N276-H280 PolarHBondContact ND2-O 3.24Å; N276-H280 PolarHBondContact OD1-CE1 3.13Å; N276-H280 PolarHBondContact OD1-N 3.39Å; N276-H280 PolarHBondContact OD1-ND1 3.41Å; N276-H280 VanDerWaalsContact OD1-ND1 3.13Å; T278-H280 PolarHBondContact OG1-ND1 2.9Å; H280-T288 VanDerWaalsContact C-OG1 3.23Å; H280-T288 WeakPolarHBondContact O-CB 3.41Å; H280-T288 PolarHBondContact O-OG1 3.42Å
281S96.9Very high96.5Very high112 Ų11253 Ų5378%0.78331%0.309SS*.  trans-62.6139.2177.7-54.10000111.7T288S281-T288 WeakPolarHBondContact CA-OG1 3.5Å; S281-T288 PolarHBondContact N-OG1 2.99Å
282V96.2Very high96.4Very high23 Ų2358.5 Ų58.514%0.13933%0.33CS..  trans-132.8136.7177.7-179.70000108.7T254 Q259 F285 T288T254-V282 HydrophobicContact CG2-CG2 4.48Å; Q259-V282 HydrophobicContact CG-CG1 3.48Å; Q259-V282 VanDerWaalsContact CG-CG1 3.48Å; V282-F285 HydrophobicContact CB-CD2 3.8Å; V282-F285 HydrophobicContact CB-CE2 4.26Å; V282-F285 HydrophobicContact CG1-CD2 3.84Å; V282-F285 HydrophobicContact CG1-CE2 3.91Å; V282-F285 PolarHBondContact O-N 3.36Å; V282-T288 HydrophobicContact CB-CG2 4.34Å
283E92.8Very high96.3Very high176 Ų17661.1 Ų61.182%0.82234%0.344SS*.THydrogen-bonded Turntrans-56.7138.6179.6-169.9-177.5166.400111.7F285E283-F285 VanDerWaalsContact C-N 3.33Å
284G92.4Very high96.3Very high43 Ų4360.1 Ų60.144%0.44334%0.339SS..THydrogen-bonded Turntrans89.7-14.5-178.700000114.8S262S262-G284 VanDerWaalsContact OG-CA 3.3Å; S262-G284 WeakPolarHBondContact OG-CA 3.18Å; S262-G284 PolarHBondContact OG-O 3.18Å
285F97.7Very high96.2Very high21 Ų2161 Ų619%0.09235%0.347CS..  trans-93.6136.8175.8-65.8-87.2000110.9V251 T254 G258 Q259 V272 V282 E283 T288V251-F285 HydrophobicContact CB-CE1 3.8Å; V251-F285 HydrophobicContact CB-CZ 4.29Å; V251-F285 HydrophobicContact CG2-CE1 3.77Å; V251-F285 HydrophobicContact CG2-CZ 4.37Å; T254-F285 HydrophobicContact CG2-CD2 4.33Å; T254-F285 HydrophobicContact CG2-CE1 4.17Å; T254-F285 HydrophobicContact CG2-CE2 3.97Å; T254-F285 HydrophobicContact CG2-CZ 3.89Å; G258-F285 WeakPolarHBondContact O-CZ 3.28Å; Q259-F285 HydrophobicContact CG-CE2 3.99Å; V272-F285 HydrophobicContact CG1-CD1 3.81Å; V272-F285 HydrophobicContact CG1-CE1 3.71Å; V272-F285 CarbonylContact O-C 3.57Å; V272-F285 WeakPolarHBondContact O-CA 3.15Å; V282-F285 HydrophobicContact CB-CD2 3.8Å; V282-F285 HydrophobicContact CB-CE2 4.26Å; V282-F285 HydrophobicContact CG1-CD2 3.84Å; V282-F285 HydrophobicContact CG1-CE2 3.91Å; V282-F285 PolarHBondContact O-N 3.36Å; E283-F285 VanDerWaalsContact C-N 3.33Å; F285-T288 HydrophobicContact CB-CG2 3.83Å; F285-T288 HydrophobicContact CG-CG2 4.22Å
286A96.6Very high96.1Very high70 Ų7068.5 Ų68.558%0.57938%0.38SS*.SBendtrans-64.3-49.7173.900000110.4V272 F273V272-A286 PolarHBondContact O-N 3.5Å; F273-A286 HydrophobicContact CE1-CB 4.4Å
287E97.6Very high96.2Very high106 Ų10668.8 Ų68.850%0.49538%0.381SS..  trans-143.7154.7171.8-66.3-179.7-127.100110.5F273 G274 Y289F273-E287 CarbonylContact C-O 3.47Å; F273-E287 WeakPolarHBondContact CA-O 3.37Å; F273-E287 HydrophobicContact CD1-CB 3.96Å; F273-E287 HydrophobicContact CE1-CB 4.26Å; G274-E287 PolarHBondContact N-O 3.41Å; E287-Y289 HydrophobicContact CB-CE2 4Å; E287-Y289 VanDerWaalsContact CD-OH 3.24Å; E287-Y289 PolarHBondContact OE2-OH 3.07Å
288T98.4Very high96.5Very high19 Ų1964.1 Ų64.112%0.11735%0.352CS..EExtended strand (participates in β ladder)trans-127.4135.9177.853.20000110.6T254 G274 G279 H280 S281 V282 F285T254-T288 HydrophobicContact CG2-CG2 4.38Å; G274-T288 CarbonylContact O-C 3.51Å; G274-T288 VanDerWaalsContact O-CA 3.25Å; G274-T288 WeakPolarHBondContact O-CA 3.16Å; G279-T288 PolarHBondContact O-OG1 3.46Å; H280-T288 VanDerWaalsContact C-OG1 3.23Å; H280-T288 WeakPolarHBondContact O-CB 3.41Å; H280-T288 PolarHBondContact O-OG1 3.42Å; S281-T288 WeakPolarHBondContact CA-OG1 3.5Å; S281-T288 PolarHBondContact N-OG1 2.99Å; V282-T288 HydrophobicContact CB-CG2 4.34Å; F285-T288 HydrophobicContact CB-CG2 3.83Å; F285-T288 HydrophobicContact CG-CG2 4.22Å
289Y98Very high96.6Very high51 Ų5161.5 Ų61.520%0.234%0.337CS..EExtended strand (participates in β ladder)trans-122.2153.3179.4-52.2-84.9000111.4F273 G274 I275 N276 E287 I297F273-Y289 HydrophobicContact CD1-CE2 4.11Å; G274-Y289 PolarHBondContact O-N 2.87Å; I275-Y289 WeakPolarHBondContact CA-O 3.34Å; I275-Y289 HydrophobicContact CD1-CD2 4.47Å; N276-Y289 PolarHBondContact N-O 3.43Å; E287-Y289 HydrophobicContact CB-CE2 4Å; E287-Y289 VanDerWaalsContact CD-OH 3.24Å; E287-Y289 PolarHBondContact OE2-OH 3.07Å; Y289-I297 HydrophobicContact CD2-CB 4.29Å; Y289-I297 HydrophobicContact CD2-CG1 3.98Å; Y289-I297 HydrophobicContact CD2-CG2 4.1Å; Y289-I297 HydrophobicContact CE2-CB 4.32Å; Y289-I297 HydrophobicContact CE2-CD1 3.87Å; Y289-I297 HydrophobicContact CE2-CG1 3.6Å
290S97.3Very high96.8Very high17 Ų1765.8 Ų65.812%0.11935%0.351CS..EExtended strand (participates in β ladder)trans-66.2148.5170.1175.40000109.9N276 T277 G279 K292 N293 M294N276-S290 CarbonylContact O-C 3.51Å; N276-S290 VanDerWaalsContact O-CA 3.28Å; N276-S290 WeakPolarHBondContact O-CA 3.38Å; T277-S290 PolarHBondContact O-OG 3.47Å; G279-S290 VanDerWaalsContact CA-N 3.28Å; S290-K292 PolarHBondContact O-N 3.22Å; S290-K292 VanDerWaalsContact O-N 3.08Å; S290-K292 PolarHBondContact OG-N 2.88Å; S290-N293 WeakPolarHBondContact O-CA 3.23Å; S290-N293 PolarHBondContact O-N 3.49Å; S290-M294 PolarHBondContact O-N 3.18Å
291I95.5Very high96.9Very high48 Ų4861.3 Ų61.325%0.24633%0.331CS..G310 helixtrans-48.2-35.3171.7-154.9168.9000112.7I275 N276 N293 M294 I317I275-I291 HydrophobicContact CG2-CB 4.12Å; I275-I291 HydrophobicContact CG2-CG1 4.2Å; N276-I291 PolarHBondContact O-N 2.88Å; I291-N293 PolarHBondContact O-N 3.22Å; I291-M294 VanDerWaalsContact O-CB 3.27Å; I291-M294 WeakPolarHBondContact O-CB 3.2Å; I291-M294 PolarHBondContact O-N 3.41Å; I291-M294 VanDerWaalsContact O-N 3.14Å; I291-I317 HydrophobicContact CD1-CD1 3.32Å; I291-I317 HydrophobicContact CG1-CD1 3.38Å
292K95.3Very high96.9Very high185 Ų18557 Ų5780%0.80430%0.299SS*.G310 helixtrans-67-19.2177.2-62.3-177.7179.5-178.70113.9S290S290-K292 PolarHBondContact O-N 3.22Å; S290-K292 VanDerWaalsContact O-N 3.08Å; S290-K292 PolarHBondContact OG-N 2.88Å
293N96.2Very high97.1Very high57 Ų5756 Ų5631%0.30529%0.292SS..G310 helixtrans-103.93.4178.2-70.7-38.4000112.3S290 I291 A295 K296 I297S290-N293 WeakPolarHBondContact O-CA 3.23Å; S290-N293 PolarHBondContact O-N 3.49Å; I291-N293 PolarHBondContact O-N 3.22Å; N293-A295 VanDerWaalsContact C-N 3.34Å; N293-A295 PolarHBondContact O-N 2.89Å; N293-K296 WeakPolarHBondContact O-CB 3.18Å; N293-K296 PolarHBondContact O-N 3.01Å; N293-K296 PolarHBondContact OD1-NZ 3.4Å; N293-I297 PolarHBondContact O-N 3.48Å
294M97.4Very high97.4Very high4 Ų447.6 Ų47.62%0.0225%0.253CS..Hα-helixtrans-55.9-47.5-177.5-173.5168.98200111.9L250 V252 I275 S290 I291 K296 I297 V298 I317 F318 I322L250-M294 HydrophobicContact CD2-CG 4.39Å; V252-M294 HydrophobicContact CG1-SD 3.79Å; V252-M294 HydrophobicContact CG2-SD 3.82Å; I275-M294 HydrophobicContact CD1-CB 4.1Å; I275-M294 HydrophobicContact CD1-CG 4.13Å; I275-M294 HydrophobicContact CG1-CB 4.35Å; I275-M294 HydrophobicContact CG1-CG 3.97Å; I275-M294 HydrophobicContact CG1-SD 4.18Å; I275-M294 HydrophobicContact CG2-CB 4.46Å; I275-M294 HydrophobicContact CG2-SD 4.29Å; S290-M294 PolarHBondContact O-N 3.18Å; I291-M294 VanDerWaalsContact O-CB 3.27Å; I291-M294 WeakPolarHBondContact O-CB 3.2Å; I291-M294 PolarHBondContact O-N 3.41Å; I291-M294 VanDerWaalsContact O-N 3.14Å; M294-K296 PolarHBondContact O-N 2.93Å; M294-K296 VanDerWaalsContact O-N 3.07Å; M294-I297 WeakPolarHBondContact O-CG2 3.44Å; M294-I297 PolarHBondContact O-N 3.37Å; M294-I297 VanDerWaalsContact O-N 3.11Å; M294-V298 HydrophobicContact CG-CG2 3.92Å; M294-V298 VanDerWaalsContact O-CG2 3.24Å; M294-V298 WeakPolarHBondContact O-CG2 3.2Å; M294-V298 PolarHBondContact O-N 3.38Å; M294-I317 HydrophobicContact CE-CD1 3.82Å; M294-I317 HydrophobicContact CE-CG1 3.73Å; M294-I317 HydrophobicContact SD-CD1 4.24Å; M294-F318 HydrophobicContact CE-CE1 4.43Å; M294-I322 HydrophobicContact CE-CD1 3.48Å; M294-I322 VanDerWaalsContact CE-CD1 3.48Å; M294-I322 HydrophobicContact CE-CG1 3.58Å; M294-I322 HydrophobicContact CE-CG2 4.27Å; M294-I322 HydrophobicContact CG-CD1 4.31Å
295A97.2Very high97.6Very high20 Ų2045.6 Ų45.617%0.16523%0.232CC..Hα-helixtrans-61-22.1179.700000113.7N293 D321 I322 K325N293-A295 VanDerWaalsContact C-N 3.34Å; N293-A295 PolarHBondContact O-N 2.89Å; A295-D321 WeakPolarHBondContact CB-OD2 3.48Å; A295-I322 HydrophobicContact CB-CD1 3.77Å; A295-K325 HydrophobicContact CB-CD 4.07Å; A295-K325 WeakPolarHBondContact O-CD 3.49Å
296K97.1Very high97.6Very high157 Ų15744.6 Ų44.668%0.68323%0.228SC*.Hα-helixtrans-80.6-28.9178.8-62.4177.7-177163.40113.1N293 M294N293-K296 WeakPolarHBondContact O-CB 3.18Å; N293-K296 PolarHBondContact O-N 3.01Å; N293-K296 PolarHBondContact OD1-NZ 3.4Å; M294-K296 PolarHBondContact O-N 2.93Å; M294-K296 VanDerWaalsContact O-N 3.07Å
297I97.7Very high97.5Very high21 Ų2142.1 Ų42.111%0.10821%0.205CC..Hα-helixtrans-99.9-26.2-174.9-16964.9000112.7L250 I275 Y289 N293 M294 P299 E300 M301L250-I297 HydrophobicContact CD1-CG2 4.25Å; L250-I297 HydrophobicContact CD2-CG2 4.2Å; I275-I297 HydrophobicContact CD1-CG2 3.98Å; Y289-I297 HydrophobicContact CD2-CB 4.29Å; Y289-I297 HydrophobicContact CD2-CG1 3.98Å; Y289-I297 HydrophobicContact CD2-CG2 4.1Å; Y289-I297 HydrophobicContact CE2-CB 4.32Å; Y289-I297 HydrophobicContact CE2-CD1 3.87Å; Y289-I297 HydrophobicContact CE2-CG1 3.6Å; N293-I297 PolarHBondContact O-N 3.48Å; M294-I297 WeakPolarHBondContact O-CG2 3.44Å; M294-I297 PolarHBondContact O-N 3.37Å; M294-I297 VanDerWaalsContact O-N 3.11Å; I297-P299 VanDerWaalsContact C-N 3.28Å; I297-E300 HydrophobicContact CD1-CB 4.3Å; I297-E300 HydrophobicContact CD1-CG 4.36Å; I297-E300 WeakPolarHBondContact O-CB 3.5Å; I297-E300 PolarHBondContact O-N 3.02Å; I297-M301 HydrophobicContact CD1-CE 4.08Å; I297-M301 HydrophobicContact CG1-CE 3.97Å; I297-M301 WeakPolarHBondContact O-CG 3.48Å
298V98.4Very high97.2Very high0 Ų038 Ų380%019%0.186CC..G310 helixtrans-48.5-39.5177.4163.70000114.1L250 M294 E300 M301 I322 K325 M326L250-V298 HydrophobicContact CD2-CG2 3.73Å; M294-V298 HydrophobicContact CG-CG2 3.92Å; M294-V298 VanDerWaalsContact O-CG2 3.24Å; M294-V298 WeakPolarHBondContact O-CG2 3.2Å; M294-V298 PolarHBondContact O-N 3.38Å; V298-E300 PolarHBondContact O-N 3.47Å; V298-E300 VanDerWaalsContact O-N 3.12Å; V298-M301 WeakPolarHBondContact O-CB 3.35Å; V298-M301 PolarHBondContact O-N 2.96Å; V298-M301 VanDerWaalsContact O-N 3.08Å; V298-I322 HydrophobicContact CG1-CG2 4.33Å; V298-I322 HydrophobicContact CG2-CG2 4.14Å; V298-K325 HydrophobicContact CG1-CB 4.31Å; V298-M326 HydrophobicContact CG1-CB 4.39Å; V298-M326 HydrophobicContact CG1-CG 3.57Å
299P98.5Very high96.7Very high46 Ų4638.2 Ų38.230%0.29919%0.188SC..G310 helixtrans-57.7-24.3175.9-26.934.7000115.8I297 M301 K325 K327I297-P299 VanDerWaalsContact C-N 3.28Å; P299-M301 VanDerWaalsContact C-N 3.34Å; P299-K325 VanDerWaalsContact CA-O 3.25Å; P299-K325 WeakPolarHBondContact CA-O 3.33Å; P299-K325 HydrophobicContact CG-CB 4.1Å; P299-K327 WeakPolarHBondContact O-CE 2.9Å; P299-K327 VanDerWaalsContact O-CG 3.3Å; P299-K327 WeakPolarHBondContact O-CG 3.5Å
300E98Very high96.1Very high111 Ų11136.7 Ų36.752%0.51919%0.188SC..G310 helixtrans-88.1-6-178.2-59.6-56.3135.800112.8N248 I297 V298 K327N248-E300 PolarHBondContact ND2-O 2.87Å; I297-E300 HydrophobicContact CD1-CB 4.3Å; I297-E300 HydrophobicContact CD1-CG 4.36Å; I297-E300 WeakPolarHBondContact O-CB 3.5Å; I297-E300 PolarHBondContact O-N 3.02Å; V298-E300 PolarHBondContact O-N 3.47Å; V298-E300 VanDerWaalsContact O-N 3.12Å; E300-K327 PolarHBondContact O-NZ 3.31Å
301M98.6Very high95.7Very high1 Ų136.9 Ų36.91%0.00519%0.188CC..  trans-101.9136.9-168.3-55.7-70.9112.800111.2N248 L250 F273 I297 V298 P299 V304 K327N248-M301 HydrophobicContact CB-CE 4.02Å; N248-M301 HydrophobicContact CB-SD 4.08Å; L250-M301 HydrophobicContact CB-CB 4.16Å; L250-M301 HydrophobicContact CB-CG 3.71Å; L250-M301 HydrophobicContact CB-SD 3.82Å; L250-M301 HydrophobicContact CD1-CG 4.49Å; L250-M301 HydrophobicContact CD1-SD 4.23Å; L250-M301 HydrophobicContact CD2-CG 4.2Å; L250-M301 HydrophobicContact CG-CG 4.36Å; F273-M301 HydrophobicContact CB-SD 4.08Å; F273-M301 HydrophobicContact CD1-CE 4.4Å; F273-M301 HydrophobicContact CD2-CE 3.78Å; F273-M301 HydrophobicContact CD2-SD 3.71Å; F273-M301 HydrophobicContact CE2-CE 3.97Å; F273-M301 HydrophobicContact CE2-SD 4.41Å; F273-M301 HydrophobicContact CG-CE 4.02Å; F273-M301 HydrophobicContact CG-SD 3.99Å; F273-M301 HydrophobicContact CZ-CE 4.37Å; I297-M301 HydrophobicContact CD1-CE 4.08Å; I297-M301 HydrophobicContact CG1-CE 3.97Å; I297-M301 WeakPolarHBondContact O-CG 3.48Å; V298-M301 WeakPolarHBondContact O-CB 3.35Å; V298-M301 PolarHBondContact O-N 2.96Å; V298-M301 VanDerWaalsContact O-N 3.08Å; P299-M301 VanDerWaalsContact C-N 3.34Å; M301-V304 HydrophobicContact CB-CG2 4.3Å; M301-K327 WeakPolarHBondContact O-CD 3.4Å
302D98.7Very high95.3Very high22 Ų2242.6 Ų42.612%0.11821%0.214CC..SBendtrans-91.3-23.8175.4-51-58000111.6K247 N248 K327 A330 V331K247-D302 WeakPolarHBondContact CA-OD2 3.46Å; K247-D302 HydrophobicContact CB-CB 4.25Å; K247-D302 HydrophobicContact CD-CB 3.67Å; N248-D302 PolarHBondContact N-OD2 3.35Å; N248-D302 PolarHBondContact O-N 3.23Å; D302-K327 WeakPolarHBondContact OD1-CD 3.2Å; D302-K327 IonicContact OD1-NZ 3.63Å; D302-K327 PolarHBondContact OD1-NZ 2.88Å; D302-K327 IonicContact OD2-NZ 2.73Å; D302-A330 CarbonylContact O-C 3.54Å; D302-A330 WeakPolarHBondContact O-CA 3.39Å; D302-V331 PolarHBondContact O-N 3.41Å
303I98.8Very high95.1Very high0 Ų040.4 Ų40.40%021%0.206CC..EExtended strand (participates in β ladder)trans-135130.8-178.6-53.1162.3000108.1L215 Y219 L244 K247 N248 L249 L250 V305 V331L215-I303 HydrophobicContact CD1-CD1 4.19Å; L215-I303 HydrophobicContact CD1-CG2 4.33Å; L215-I303 HydrophobicContact CD2-CD1 4.07Å; L215-I303 HydrophobicContact CD2-CG1 4.26Å; L215-I303 HydrophobicContact CD2-CG2 3.67Å; Y219-I303 HydrophobicContact CE2-CD1 3.71Å; Y219-I303 HydrophobicContact CE2-CG1 3.99Å; Y219-I303 VanDerWaalsContact OH-CG1 3.27Å; Y219-I303 WeakPolarHBondContact OH-CG1 3.46Å; L244-I303 HydrophobicContact CD1-CD1 3.69Å; K247-I303 HydrophobicContact CB-CD1 4.22Å; N248-I303 PolarHBondContact O-N 3.46Å; N248-I303 VanDerWaalsContact O-N 3.08Å; L249-I303 CarbonylContact C-O 3.52Å; L249-I303 WeakPolarHBondContact CA-O 3.4Å; L249-I303 HydrophobicContact CB-CB 4.14Å; L249-I303 HydrophobicContact CB-CD1 4.4Å; L249-I303 HydrophobicContact CD1-CB 4.29Å; L249-I303 HydrophobicContact CD1-CD1 4.22Å; L249-I303 HydrophobicContact CD1-CG2 3.95Å; L249-I303 HydrophobicContact CG-CB 3.95Å; L249-I303 HydrophobicContact CG-CG2 3.91Å; L250-I303 PolarHBondContact N-O 3.2Å; I303-V305 HydrophobicContact CG2-CG2 3.84Å; I303-V331 CarbonylContact C-O 3.51Å; I303-V331 WeakPolarHBondContact CA-O 3.4Å; I303-V331 HydrophobicContact CG1-CB 4.43Å; I303-V331 HydrophobicContact CG2-CB 4.47Å
304V98.8Very high95Very high1 Ų138.1 Ų38.11%0.00619%0.194CC..EExtended strand (participates in β ladder)trans-121.4122.9174.21800000108.7L250 V252 M301 F318 M326 V331 F332 V333L250-V304 HydrophobicContact CB-CG2 4.42Å; V252-V304 HydrophobicContact CG2-CG1 4.19Å; M301-V304 HydrophobicContact CB-CG2 4.3Å; V304-F318 HydrophobicContact CG1-CE1 3.89Å; V304-M326 HydrophobicContact CB-CE 4.14Å; V304-M326 HydrophobicContact CG2-CE 3.92Å; V304-M326 HydrophobicContact CG2-SD 4.49Å; V304-V331 PolarHBondContact N-O 3.35Å; V304-F332 HydrophobicContact CB-CD2 4.21Å; V304-F332 HydrophobicContact CG1-CD2 4.17Å; V304-F332 HydrophobicContact CG1-CE2 4.35Å; V304-F332 CarbonylContact O-C 3.57Å; V304-F332 WeakPolarHBondContact O-CA 3.41Å; V304-V333 PolarHBondContact O-N 3.26Å
305V98.6Very high94.9Very high0 Ų044.1 Ų44.10%022%0.218CC..EExtended strand (participates in β ladder)trans-120.7116.2-175.7-174.30000110.8I211 L249 L250 V252 L261 I303 I307 V333I211-V305 HydrophobicContact CD1-CG1 3.91Å; I211-V305 HydrophobicContact CG1-CG1 4.38Å; I211-V305 HydrophobicContact CG2-CG1 4.41Å; I211-V305 HydrophobicContact CG2-CG2 4.3Å; L249-V305 HydrophobicContact CD1-CG2 4.17Å; L249-V305 HydrophobicContact CD2-CG2 4.08Å; L249-V305 HydrophobicContact CG-CG2 4.14Å; L250-V305 PolarHBondContact O-N 3.07Å; V252-V305 PolarHBondContact N-O 3.34Å; L261-V305 HydrophobicContact CD2-CG1 4.27Å; I303-V305 HydrophobicContact CG2-CG2 3.84Å; V305-I307 HydrophobicContact CG1-CD1 3.94Å; V305-I307 HydrophobicContact CG1-CG1 3.75Å; V305-V333 CarbonylContact C-O 3.54Å; V305-V333 VanDerWaalsContact CA-O 3.3Å; V305-V333 WeakPolarHBondContact CA-O 3.3Å; V305-V333 HydrophobicContact CG1-CB 4.33Å; V305-V333 HydrophobicContact CG2-CB 4.25Å
306G97.8Very high94.9Very high0 Ų044.7 Ų44.70%022%0.217CC..EExtended strand (participates in β ladder)trans-85119.417200000112.5V333 N334 V335 G336G306-V333 PolarHBondContact N-O 2.89Å; G306-N334 PolarHBondContact O-OD1 3.33Å; G306-V335 PolarHBondContact O-N 2.81Å; G306-V335 VanDerWaalsContact O-N 3.08Å; G306-G336 PolarHBondContact O-N 3.49Å
307I93.7Very high94.9Very high18 Ų1838.1 Ų38.19%0.09219%0.189CC..  trans-133.830.4175.6-38.3-177.9000110.1L207 I211 V251 V252 I257 L261 V305 V335L207-I307 HydrophobicContact CD2-CG2 4.09Å; I211-I307 HydrophobicContact CD1-CD1 3.99Å; V251-I307 HydrophobicContact CG1-CD1 3.77Å; V251-I307 HydrophobicContact CG1-CG1 4.26Å; V252-I307 PolarHBondContact O-N 2.92Å; I257-I307 HydrophobicContact CB-CG2 3.91Å; I257-I307 HydrophobicContact CD1-CG2 4Å; I257-I307 HydrophobicContact CG2-CD1 4.02Å; I257-I307 HydrophobicContact CG2-CG2 3.59Å; L261-I307 HydrophobicContact CD2-CD1 3.93Å; V305-I307 HydrophobicContact CG1-CD1 3.94Å; V305-I307 HydrophobicContact CG1-CG1 3.75Å; I307-V335 HydrophobicContact CG1-CG2 4.14Å
308L91.8Very high95Very high19 Ų1937.1 Ų37.110%0.09918%0.184CC..  trans-82.2148.7-178.4-69.6176.3000111.4V252 T314 I317 G336 R337 T340V252-L308 HydrophobicContact CG1-CD1 3.53Å; V252-L308 HydrophobicContact CG1-CD2 4.33Å; V252-L308 HydrophobicContact CG1-CG 3.9Å; V252-L308 WeakPolarHBondContact O-CG 3.46Å; L308-T314 HydrophobicContact CB-CG2 4.31Å; L308-T314 HydrophobicContact CD1-CG2 3.86Å; L308-T314 HydrophobicContact CG-CG2 4.46Å; L308-I317 HydrophobicContact CD1-CD1 4Å; L308-I317 HydrophobicContact CD1-CG2 4Å; L308-G336 CarbonylContact O-C 3.5Å; L308-G336 WeakPolarHBondContact O-CA 3.41Å; L308-R337 PolarHBondContact O-N 2.79Å; L308-T340 HydrophobicContact CB-CG2 4.11Å
309P86.6Confident95Very high25 Ų2539.3 Ų39.316%0.16220%0.195CC..  trans-65161.5159.135.5-41.3000110.6T311 T314 Y425P309-T311 HydrophobicContact CB-CG2 4.18Å; P309-T311 HydrophobicContact CG-CG2 3.91Å; P309-T314 PolarHBondContact O-OG1 3.47Å; P309-Y425 HydrophobicContact CB-CD1 3.73Å; P309-Y425 HydrophobicContact CB-CE1 4.11Å; P309-Y425 HydrophobicContact CG-CD1 3.66Å; P309-Y425 HydrophobicContact CG-CE1 3.49Å; P309-Y425 VanDerWaalsContact CG-CE1 3.49Å
310G86.6Confident94.9Very high19 Ų1938.5 Ų38.520%0.19619%0.191CC..  trans-87.5107.3172.400000109D339G310-D339 WeakPolarHBondContact CA-OD1 3.44Å
311T87.5Confident94.9Very high20 Ų2037.4 Ų37.412%0.12319%0.189CC..  trans-133.4166.9177.184.50000109P309 E313 T314 Y315 R423P309-T311 HydrophobicContact CB-CG2 4.18Å; P309-T311 HydrophobicContact CG-CG2 3.91Å; T311-E313 WeakPolarHBondContact CB-OE2 3.41Å; T311-E313 PolarHBondContact O-N 3.08Å; T311-E313 PolarHBondContact OG1-N 3.16Å; T311-E313 PolarHBondContact OG1-OE2 2.86Å; T311-T314 PolarHBondContact N-OG1 3.33Å; T311-T314 PolarHBondContact O-N 2.89Å; T311-T314 VanDerWaalsContact O-N 3.09Å; T311-T314 PolarHBondContact O-OG1 2.96Å; T311-T314 PolarHBondContact OG1-N 3.34Å; T311-T314 PolarHBondContact OG1-OG1 3.29Å; T311-Y315 PolarHBondContact O-N 3.43Å; T311-R423 WeakPolarHBondContact CG2-O 3.39Å
312H88.9Confident94.9Very high169 Ų16937.7 Ų37.778%0.78219%0.19SC*.THydrogen-bonded Turntrans-57.6-32.3175.9-178.3-79.3000112.2
313E89.7Confident94.9Very high138 Ų13836.6 Ų36.665%0.64518%0.184SC*.THydrogen-bonded Turntrans-80.4-19.3179-5777.4-169.500114.1T311T311-E313 WeakPolarHBondContact CB-OE2 3.41Å; T311-E313 PolarHBondContact O-N 3.08Å; T311-E313 PolarHBondContact OG1-N 3.16Å; T311-E313 PolarHBondContact OG1-OE2 2.86Å
314T93.6Very high94.9Very high10 Ų1042 Ų426%0.06121%0.21CC..THydrogen-bonded Turntrans-106.8-8.1-179.662.80000113.3L308 P309 T311 H316 I317 T340L308-T314 HydrophobicContact CB-CG2 4.31Å; L308-T314 HydrophobicContact CD1-CG2 3.86Å; L308-T314 HydrophobicContact CG-CG2 4.46Å; P309-T314 PolarHBondContact O-OG1 3.47Å; T311-T314 PolarHBondContact N-OG1 3.33Å; T311-T314 PolarHBondContact O-N 2.89Å; T311-T314 VanDerWaalsContact O-N 3.09Å; T311-T314 PolarHBondContact O-OG1 2.96Å; T311-T314 PolarHBondContact OG1-N 3.34Å; T311-T314 PolarHBondContact OG1-OG1 3.29Å; T314-H316 PolarHBondContact O-N 3.45Å; T314-I317 WeakPolarHBondContact O-CB 3.47Å; T314-I317 VanDerWaalsContact O-CG2 3.31Å; T314-I317 WeakPolarHBondContact O-CG2 3.45Å; T314-I317 PolarHBondContact O-N 2.81Å; T314-T340 WeakPolarHBondContact O-CA 3.42Å
315Y95.8Very high94.9Very high129 Ų12945.3 Ų45.351%0.50622%0.224SC..THydrogen-bonded Turntrans-55124.6175.6-170.9-94.3000110.8T311 I317 D339T311-Y315 PolarHBondContact O-N 3.43Å; Y315-I317 PolarHBondContact O-N 3.44Å; Y315-I317 VanDerWaalsContact O-N 3.09Å; Y315-D339 WeakPolarHBondContact CA-O 3.5Å; Y315-D339 HydrophobicContact CD2-CB 3.97Å; Y315-D339 HydrophobicContact CE2-CB 4.04Å
316H97.9Very high94.9Very high32 Ų3245.8 Ų45.815%0.14823%0.226CC..THydrogen-bonded Turntrans51.331.3-179.3-66.7-177000114.6T314 F318 N319 D339 T340 H342 E364T314-H316 PolarHBondContact O-N 3.45Å; H316-F318 PolarHBondContact O-N 2.85Å; H316-N319 PolarHBondContact O-ND2 3.3Å; H316-D339 PolarHBondContact CD2-O 3.45Å; H316-D339 PolarHBondContact N-O 3.32Å; H316-T340 CarbonylContact C-O 3.57Å; H316-H342 HydrophobicContact CB-CB 4.08Å; H316-H342 AromaticContact CE1-CD2 3.54Å; H316-H342 AromaticContact CE1-CG 3.88Å; H316-H342 AromaticContact CE1-NE2 3.92Å; H316-H342 AromaticContact CG-CD2 3.87Å; H316-H342 AromaticContact ND1-CD2 3.15Å; H316-H342 PolarHBondContact ND1-CD2 3.08Å; H316-H342 AromaticContact ND1-CG 3.72Å; H316-H342 AromaticContact ND1-NE2 3.85Å; H316-E364 IonicContact CD2-OE1 3.19Å; H316-E364 IonicContact CE1-OE1 2.97Å; H316-E364 IonicContact NE2-OE1 2.63Å; H316-E364 PolarHBondContact NE2-OE1 3.25Å
317I97.5Very high94.9Very high20 Ų2048.7 Ų48.710%0.10324%0.239CC..  trans-62.9-33.5176.8-164.2-173.3000112I291 M294 L308 T314 Y315 N319 I322 T340I291-I317 HydrophobicContact CD1-CD1 3.32Å; I291-I317 HydrophobicContact CG1-CD1 3.38Å; M294-I317 HydrophobicContact CE-CD1 3.82Å; M294-I317 HydrophobicContact CE-CG1 3.73Å; M294-I317 HydrophobicContact SD-CD1 4.24Å; L308-I317 HydrophobicContact CD1-CD1 4Å; L308-I317 HydrophobicContact CD1-CG2 4Å; T314-I317 WeakPolarHBondContact O-CB 3.47Å; T314-I317 VanDerWaalsContact O-CG2 3.31Å; T314-I317 WeakPolarHBondContact O-CG2 3.45Å; T314-I317 PolarHBondContact O-N 2.81Å; Y315-I317 PolarHBondContact O-N 3.44Å; Y315-I317 VanDerWaalsContact O-N 3.09Å; I317-N319 PolarHBondContact O-N 2.92Å; I317-I322 WeakPolarHBondContact O-CG1 3.32Å; I317-T340 WeakPolarHBondContact CG2-O 3.29Å; I317-T340 PolarHBondContact N-O 3.48Å
318F98.5Very high95.1Very high0 Ų053.9 Ų53.90%026%0.261CS..BIsolated β-bridgetrans-89.399.7169.6-59.2-72.5000109V252 M294 V304 H316 I322 F323 F332 T340 V341 H342V252-F318 HydrophobicContact CB-CE1 4.42Å; V252-F318 HydrophobicContact CB-CZ 3.78Å; V252-F318 HydrophobicContact CG1-CZ 4.04Å; V252-F318 HydrophobicContact CG2-CE1 3.86Å; V252-F318 HydrophobicContact CG2-CZ 3.7Å; M294-F318 HydrophobicContact CE-CE1 4.43Å; V304-F318 HydrophobicContact CG1-CE1 3.89Å; H316-F318 PolarHBondContact O-N 2.85Å; F318-I322 HydrophobicContact CD1-CG2 4.19Å; F318-F323 HydrophobicContact CB-CE1 4.16Å; F318-F323 HydrophobicContact CB-CE2 4.37Å; F318-F323 HydrophobicContact CB-CZ 3.69Å; F318-F323 WeakPolarHBondContact O-CE2 3.42Å; F318-F332 HydrophobicContact CB-CZ 4.16Å; F318-F332 AromaticContact CD1-CE2 3.59Å; F318-F332 HydrophobicContact CD1-CE2 3.59Å; F318-F332 HydrophobicContact CD1-CZ 4.02Å; F318-F332 HydrophobicContact CD2-CE2 4.25Å; F318-F332 AromaticContact CD2-CZ 3.98Å; F318-F332 HydrophobicContact CD2-CZ 3.98Å; F318-F332 AromaticContact CE1-CE2 3.7Å; F318-F332 HydrophobicContact CE1-CE2 3.7Å; F318-F332 HydrophobicContact CE1-CZ 4.39Å; F318-F332 HydrophobicContact CE2-CE2 4.33Å; F318-F332 HydrophobicContact CE2-CZ 4.34Å; F318-F332 AromaticContact CG-CE2 3.88Å; F318-F332 HydrophobicContact CG-CE2 3.88Å; F318-F332 AromaticContact CG-CZ 3.8Å; F318-F332 HydrophobicContact CG-CZ 3.8Å; F318-F332 HydrophobicContact CZ-CE2 4.06Å; F318-T340 WeakPolarHBondContact CD2-O 3.39Å; F318-T340 PolarHBondContact N-O 3.12Å; F318-V341 HydrophobicContact CB-CB 4.41Å; F318-V341 HydrophobicContact CB-CG1 4.48Å; F318-V341 HydrophobicContact CB-CG2 3.96Å; F318-V341 HydrophobicContact CD2-CG2 3.78Å; F318-V341 HydrophobicContact CG-CG2 4.23Å; F318-H342 PolarHBondContact O-N 3.08Å
319N98.3Very high95.4Very high45 Ų4556.1 Ų56.124%0.24128%0.278CS..SBendtrans-136-178.7-17657.741.7000109.2H316 I317 D321 I322 F323 H342 E345H316-N319 PolarHBondContact O-ND2 3.3Å; I317-N319 PolarHBondContact O-N 2.92Å; N319-D321 PolarHBondContact O-N 2.97Å; N319-D321 VanDerWaalsContact OD1-CB 3.28Å; N319-D321 WeakPolarHBondContact OD1-CB 3.3Å; N319-D321 PolarHBondContact OD1-N 3.33Å; N319-D321 VanDerWaalsContact OD1-N 3.12Å; N319-I322 PolarHBondContact O-N 3.03Å; N319-F323 VanDerWaalsContact C-CD2 3.43Å; N319-F323 WeakPolarHBondContact O-CD2 3.31Å; N319-F323 PolarHBondContact O-N 2.94Å; N319-H342 HydrophobicContact CB-CB 4.5Å; N319-E345 VanDerWaalsContact CA-OE2 3.25Å; N319-E345 WeakPolarHBondContact CA-OE2 3.45Å; N319-E345 WeakPolarHBondContact CB-OE2 3.36Å
320S98.1Very high95.9Very high29 Ų2955 Ų5520%0.20327%0.27CS..Hα-helixtrans-54.5-35.8-178.8-69.10000113.1I322 F323 E324 E345S320-I322 PolarHBondContact O-N 3.4Å; S320-I322 VanDerWaalsContact O-N 3.15Å; S320-F323 PolarHBondContact O-N 2.94Å; S320-E324 VanDerWaalsContact O-CB 3.25Å; S320-E324 WeakPolarHBondContact O-CB 3.5Å; S320-E324 VanDerWaalsContact O-CG 3.25Å; S320-E324 WeakPolarHBondContact O-CG 3.5Å; S320-E324 PolarHBondContact O-N 3.1Å; S320-E345 PolarHBondContact N-OE2 3.21Å; S320-E345 PolarHBondContact OG-OE2 3.49Å
321D97.7Very high96.5Very high88 Ų8854 Ų5447%0.47126%0.261SS..Hα-helixtrans-59.7-30.4177.8-172.170.1000112.1A295 N319 K325A295-D321 WeakPolarHBondContact CB-OD2 3.48Å; N319-D321 PolarHBondContact O-N 2.97Å; N319-D321 VanDerWaalsContact OD1-CB 3.28Å; N319-D321 WeakPolarHBondContact OD1-CB 3.3Å; N319-D321 PolarHBondContact OD1-N 3.33Å; N319-D321 VanDerWaalsContact OD1-N 3.12Å; D321-K325 WeakPolarHBondContact O-CD 3.33Å; D321-K325 VanDerWaalsContact O-CG 3.32Å; D321-K325 WeakPolarHBondContact O-CG 3.32Å; D321-K325 PolarHBondContact O-NZ 3.3Å; D321-K325 IonicContact OD1-NZ 3.72Å; D321-K325 PolarHBondContact OD1-NZ 3.01Å; D321-K325 IonicContact OD2-NZ 2.76Å; D321-K325 PolarHBondContact OD2-NZ 3.49Å
322I98.4Very high97Very high7 Ų753.1 Ų53.14%0.03626%0.255CS..Hα-helixtrans-88.4-49.5176.3-58.7-57.5000111M294 A295 V298 I317 F318 N319 S320 E324 K325 M326M294-I322 HydrophobicContact CE-CD1 3.48Å; M294-I322 VanDerWaalsContact CE-CD1 3.48Å; M294-I322 HydrophobicContact CE-CG1 3.58Å; M294-I322 HydrophobicContact CE-CG2 4.27Å; M294-I322 HydrophobicContact CG-CD1 4.31Å; A295-I322 HydrophobicContact CB-CD1 3.77Å; V298-I322 HydrophobicContact CG1-CG2 4.33Å; V298-I322 HydrophobicContact CG2-CG2 4.14Å; I317-I322 WeakPolarHBondContact O-CG1 3.32Å; F318-I322 HydrophobicContact CD1-CG2 4.19Å; N319-I322 PolarHBondContact O-N 3.03Å; S320-I322 PolarHBondContact O-N 3.4Å; S320-I322 VanDerWaalsContact O-N 3.15Å; I322-E324 PolarHBondContact O-N 3.05Å; I322-K325 PolarHBondContact O-N 3.43Å; I322-M326 PolarHBondContact O-N 2.9Å
323F98.7Very high97.5Very high0 Ų045.1 Ų45.10%022%0.218CC..Hα-helixtrans-62.7-43-175.1-64-50.8000112.6F318 N319 S320 K325 M326 F332 V341 L346 A349 H354 F355F318-F323 HydrophobicContact CB-CE1 4.16Å; F318-F323 HydrophobicContact CB-CE2 4.37Å; F318-F323 HydrophobicContact CB-CZ 3.69Å; F318-F323 WeakPolarHBondContact O-CE2 3.42Å; N319-F323 VanDerWaalsContact C-CD2 3.43Å; N319-F323 WeakPolarHBondContact O-CD2 3.31Å; N319-F323 PolarHBondContact O-N 2.94Å; S320-F323 PolarHBondContact O-N 2.94Å; F323-K325 PolarHBondContact O-N 3.37Å; F323-M326 HydrophobicContact CD1-SD 4.01Å; F323-M326 WeakPolarHBondContact O-CB 3.14Å; F323-M326 PolarHBondContact O-N 2.76Å; F323-M326 VanDerWaalsContact O-N 3.12Å; F323-F332 HydrophobicContact CE1-CD1 4.16Å; F323-F332 HydrophobicContact CE1-CD2 4.35Å; F323-F332 HydrophobicContact CE1-CE1 4.11Å; F323-F332 HydrophobicContact CE1-CE2 4.32Å; F323-F332 HydrophobicContact CE1-CG 4.28Å; F323-F332 HydrophobicContact CE1-CZ 4.2Å; F323-F332 HydrophobicContact CZ-CE1 4.38Å; F323-V341 HydrophobicContact CZ-CG1 4.03Å; F323-L346 HydrophobicContact CE1-CD1 3.88Å; F323-L346 HydrophobicContact CE2-CB 3.97Å; F323-L346 HydrophobicContact CE2-CD1 4.24Å; F323-L346 HydrophobicContact CZ-CB 4.1Å; F323-L346 HydrophobicContact CZ-CD1 3.7Å; F323-L346 HydrophobicContact CZ-CG 4.49Å; F323-A349 HydrophobicContact CB-CB 3.59Å; F323-A349 HydrophobicContact CD2-CB 4.13Å; F323-A349 HydrophobicContact CG-CB 3.96Å; F323-H354 WeakPolarHBondContact O-CB 3.24Å; F323-F355 HydrophobicContact CB-CE1 4.38Å; F323-F355 HydrophobicContact CD1-CD1 4.23Å; F323-F355 AromaticContact CD1-CE1 3.75Å; F323-F355 HydrophobicContact CD1-CE1 3.75Å; F323-F355 HydrophobicContact CE1-CE1 4.34Å; F323-F355 HydrophobicContact CG-CE1 4.23Å
324E98.3Very high97.9Very high113 Ų11338.6 Ų38.653%0.52819%0.188SC..THydrogen-bonded Turntrans-64.2-23.9178.8-69.5175.5-162.900113.2S320 I322S320-E324 VanDerWaalsContact O-CB 3.25Å; S320-E324 WeakPolarHBondContact O-CB 3.5Å; S320-E324 VanDerWaalsContact O-CG 3.25Å; S320-E324 WeakPolarHBondContact O-CG 3.5Å; S320-E324 PolarHBondContact O-N 3.1Å; I322-E324 PolarHBondContact O-N 3.05Å
325K98.5Very high98Very high70 Ų7038.4 Ų38.430%0.30419%0.187SC..THydrogen-bonded Turntrans-88.1-9.6178.9-71.1-167.8-168.382.60113.4A295 V298 P299 D321 I322 F323A295-K325 HydrophobicContact CB-CD 4.07Å; A295-K325 WeakPolarHBondContact O-CD 3.49Å; V298-K325 HydrophobicContact CG1-CB 4.31Å; P299-K325 VanDerWaalsContact CA-O 3.25Å; P299-K325 WeakPolarHBondContact CA-O 3.33Å; P299-K325 HydrophobicContact CG-CB 4.1Å; D321-K325 WeakPolarHBondContact O-CD 3.33Å; D321-K325 VanDerWaalsContact O-CG 3.32Å; D321-K325 WeakPolarHBondContact O-CG 3.32Å; D321-K325 PolarHBondContact O-NZ 3.3Å; D321-K325 IonicContact OD1-NZ 3.72Å; D321-K325 PolarHBondContact OD1-NZ 3.01Å; D321-K325 IonicContact OD2-NZ 2.76Å; D321-K325 PolarHBondContact OD2-NZ 3.49Å; I322-K325 PolarHBondContact O-N 3.43Å; F323-K325 PolarHBondContact O-N 3.37Å
326M98.7Very high97.8Very high10 Ų1032.4 Ų32.45%0.04916%0.164CC..SBendtrans-67152.4177.2-68.3-17763.400110.8V298 V304 I322 F323 A330 F332 F355V298-M326 HydrophobicContact CG1-CB 4.39Å; V298-M326 HydrophobicContact CG1-CG 3.57Å; V304-M326 HydrophobicContact CB-CE 4.14Å; V304-M326 HydrophobicContact CG2-CE 3.92Å; V304-M326 HydrophobicContact CG2-SD 4.49Å; I322-M326 PolarHBondContact O-N 2.9Å; F323-M326 HydrophobicContact CD1-SD 4.01Å; F323-M326 WeakPolarHBondContact O-CB 3.14Å; F323-M326 PolarHBondContact O-N 2.76Å; F323-M326 VanDerWaalsContact O-N 3.12Å; M326-A330 HydrophobicContact CB-CB 4.17Å; M326-A330 HydrophobicContact CE-CB 3.57Å; M326-F332 HydrophobicContact CE-CB 4.03Å; M326-F355 HydrophobicContact CB-CB 4.1Å; M326-F355 HydrophobicContact CE-CB 3.91Å; M326-F355 HydrophobicContact CE-CD1 4.44Å; M326-F355 HydrophobicContact CE-CG 4.1Å; M326-F355 HydrophobicContact SD-CB 4.3Å; M326-F355 HydrophobicContact SD-CD1 3.96Å; M326-F355 HydrophobicContact SD-CG 4.21Å
327K98.5Very high97.5Very high61 Ų6135.8 Ų35.827%0.26518%0.176SC..  trans-61.2143.6168.3-62.9175.3178.1166.50108.9P299 E300 M301 D302 S329 A330P299-K327 WeakPolarHBondContact O-CE 2.9Å; P299-K327 VanDerWaalsContact O-CG 3.3Å; P299-K327 WeakPolarHBondContact O-CG 3.5Å; E300-K327 PolarHBondContact O-NZ 3.31Å; M301-K327 WeakPolarHBondContact O-CD 3.4Å; D302-K327 WeakPolarHBondContact OD1-CD 3.2Å; D302-K327 IonicContact OD1-NZ 3.63Å; D302-K327 PolarHBondContact OD1-NZ 2.88Å; D302-K327 IonicContact OD2-NZ 2.73Å; K327-S329 PolarHBondContact O-N 2.99Å; K327-S329 VanDerWaalsContact O-N 3.09Å; K327-A330 HydrophobicContact CB-CB 4.08Å; K327-A330 WeakPolarHBondContact O-CB 3.41Å; K327-A330 PolarHBondContact O-N 2.89Å
328K98.2Very high97.4Very high128 Ų12835 Ų3556%0.55717%0.173SC*.THydrogen-bonded Turntrans-57.2-26.7174.1-66.3-65.6-173.9-177.10113.2K353 H354 F355 D356K328-K353 WeakPolarHBondContact CD-O 3.41Å; K328-K353 WeakPolarHBondContact CE-O 3.48Å; K328-K353 PolarHBondContact NZ-O 2.91Å; K328-H354 PolarHBondContact NZ-ND1 2.83Å; K328-H354 VanDerWaalsContact NZ-ND1 3.12Å; K328-F355 CarbonylContact O-C 3.59Å; K328-D356 WeakPolarHBondContact O-CB 3.24Å; K328-D356 PolarHBondContact O-N 3.18Å
329S97.1Very high97.2Very high66 Ų6637.5 Ų37.546%0.46219%0.186SC..THydrogen-bonded Turntrans-92.57.1175.463.90000114.1K327K327-S329 PolarHBondContact O-N 2.99Å; K327-S329 VanDerWaalsContact O-N 3.09Å
330A98.3Very high97.2Very high0 Ų035.4 Ų35.40%018%0.175CC..  trans-76.8154.8-172.700000112.5D302 M326 K327 F355 D356 F357D302-A330 CarbonylContact O-C 3.54Å; D302-A330 WeakPolarHBondContact O-CA 3.39Å; M326-A330 HydrophobicContact CB-CB 4.17Å; M326-A330 HydrophobicContact CE-CB 3.57Å; K327-A330 HydrophobicContact CB-CB 4.08Å; K327-A330 WeakPolarHBondContact O-CB 3.41Å; K327-A330 PolarHBondContact O-N 2.89Å; A330-F355 HydrophobicContact CB-CB 4.19Å; A330-D356 PolarHBondContact O-N 2.75Å; A330-F357 PolarHBondContact O-N 2.8Å
331V98.6Very high97.2Very high0 Ų034.3 Ų34.30%017%0.167CC..EExtended strand (participates in β ladder)trans-108.8126.1173.8172.50000109.6L215 Y218 Y219 D302 I303 V304 V333 F357L215-V331 HydrophobicContact CD2-CG1 3.88Å; Y218-V331 HydrophobicContact CD1-CG2 3.43Å; Y218-V331 VanDerWaalsContact CD1-CG2 3.43Å; Y218-V331 HydrophobicContact CE1-CG2 3.4Å; Y218-V331 VanDerWaalsContact CE1-CG2 3.4Å; Y218-V331 HydrophobicContact CG-CG2 4.22Å; Y219-V331 HydrophobicContact CE2-CG2 4.33Å; D302-V331 PolarHBondContact O-N 3.41Å; I303-V331 CarbonylContact C-O 3.51Å; I303-V331 WeakPolarHBondContact CA-O 3.4Å; I303-V331 HydrophobicContact CG1-CB 4.43Å; I303-V331 HydrophobicContact CG2-CB 4.47Å; V304-V331 PolarHBondContact N-O 3.35Å; V331-V333 HydrophobicContact CG1-CG2 3.88Å; V331-F357 CarbonylContact C-O 3.56Å; V331-F357 WeakPolarHBondContact CA-O 2.97Å; V331-F357 HydrophobicContact CG1-CD1 3.84Å; V331-F357 HydrophobicContact CG2-CB 4.31Å; V331-F357 HydrophobicContact CG2-CD1 4.42Å
332F98.8Very high97.2Very high0 Ų032.2 Ų32.20%015%0.154CC..EExtended strand (participates in β ladder)trans-100.1134.9170.5-178-117.4000110.7V304 F318 F323 M326 N334 V341 L346 F355 F357 A358 A359 L360V304-F332 HydrophobicContact CB-CD2 4.21Å; V304-F332 HydrophobicContact CG1-CD2 4.17Å; V304-F332 HydrophobicContact CG1-CE2 4.35Å; V304-F332 CarbonylContact O-C 3.57Å; V304-F332 WeakPolarHBondContact O-CA 3.41Å; F318-F332 HydrophobicContact CB-CZ 4.16Å; F318-F332 AromaticContact CD1-CE2 3.59Å; F318-F332 HydrophobicContact CD1-CE2 3.59Å; F318-F332 HydrophobicContact CD1-CZ 4.02Å; F318-F332 HydrophobicContact CD2-CE2 4.25Å; F318-F332 AromaticContact CD2-CZ 3.98Å; F318-F332 HydrophobicContact CD2-CZ 3.98Å; F318-F332 AromaticContact CE1-CE2 3.7Å; F318-F332 HydrophobicContact CE1-CE2 3.7Å; F318-F332 HydrophobicContact CE1-CZ 4.39Å; F318-F332 HydrophobicContact CE2-CE2 4.33Å; F318-F332 HydrophobicContact CE2-CZ 4.34Å; F318-F332 AromaticContact CG-CE2 3.88Å; F318-F332 HydrophobicContact CG-CE2 3.88Å; F318-F332 AromaticContact CG-CZ 3.8Å; F318-F332 HydrophobicContact CG-CZ 3.8Å; F318-F332 HydrophobicContact CZ-CE2 4.06Å; F323-F332 HydrophobicContact CE1-CD1 4.16Å; F323-F332 HydrophobicContact CE1-CD2 4.35Å; F323-F332 HydrophobicContact CE1-CE1 4.11Å; F323-F332 HydrophobicContact CE1-CE2 4.32Å; F323-F332 HydrophobicContact CE1-CG 4.28Å; F323-F332 HydrophobicContact CE1-CZ 4.2Å; F323-F332 HydrophobicContact CZ-CE1 4.38Å; M326-F332 HydrophobicContact CE-CB 4.03Å; F332-N334 HydrophobicContact CE1-CB 4.1Å; F332-N334 HydrophobicContact CZ-CB 4.07Å; F332-V341 HydrophobicContact CE1-CG2 4.02Å; F332-V341 HydrophobicContact CZ-CG2 3.78Å; F332-L346 HydrophobicContact CD1-CD1 4.18Å; F332-L346 HydrophobicContact CE1-CD1 4.4Å; F332-F355 HydrophobicContact CB-CD2 4.28Å; F332-F355 HydrophobicContact CB-CE2 4.1Å; F332-F355 HydrophobicContact CB-CZ 4.43Å; F332-F357 PolarHBondContact N-O 2.75Å; F332-A358 HydrophobicContact CB-CB 4.44Å; F332-A358 HydrophobicContact CD1-CB 4.4Å; F332-A358 CarbonylContact O-C 3.54Å; F332-A358 VanDerWaalsContact O-CA 3.23Å; F332-A358 WeakPolarHBondContact O-CA 3.35Å; F332-A359 PolarHBondContact O-N 3.33Å; F332-L360 HydrophobicContact CD1-CD2 4.19Å; F332-L360 HydrophobicContact CE1-CD2 4.02Å
333V98.7Very high97.2Very high1 Ų133.1 Ų33.11%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-132.5127.8175.5-174.90000109.3I211 V214 L215 V304 V305 G306 V331 V335 A359I211-V333 HydrophobicContact CG1-CG1 4.48Å; V214-V333 HydrophobicContact CG1-CG2 4.26Å; L215-V333 HydrophobicContact CD2-CG2 4.27Å; V304-V333 PolarHBondContact O-N 3.26Å; V305-V333 CarbonylContact C-O 3.54Å; V305-V333 VanDerWaalsContact CA-O 3.3Å; V305-V333 WeakPolarHBondContact CA-O 3.3Å; V305-V333 HydrophobicContact CG1-CB 4.33Å; V305-V333 HydrophobicContact CG2-CB 4.25Å; G306-V333 PolarHBondContact N-O 2.89Å; V331-V333 HydrophobicContact CG1-CG2 3.88Å; V333-V335 HydrophobicContact CG1-CG1 4.17Å; V333-A359 CarbonylContact C-O 3.49Å; V333-A359 VanDerWaalsContact CA-O 3.28Å; V333-A359 WeakPolarHBondContact CA-O 3.45Å; V333-A359 HydrophobicContact CG1-CB 4.3Å; V333-A359 HydrophobicContact CG2-CB 4.29Å
334N98.2Very high97.2Very high1 Ų140.8 Ų40.81%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-121118170.5-170.218.7000111.5G306 F332 G336 R337 V341 A359 L360 D361 V362G306-N334 PolarHBondContact O-OD1 3.33Å; F332-N334 HydrophobicContact CE1-CB 4.1Å; F332-N334 HydrophobicContact CZ-CB 4.07Å; N334-G336 PolarHBondContact OD1-N 2.81Å; N334-R337 PolarHBondContact ND2-O 3.11Å; N334-V341 HydrophobicContact CB-CG2 4.25Å; N334-V341 WeakPolarHBondContact ND2-CG2 3.43Å; N334-A359 PolarHBondContact N-O 2.86Å; N334-L360 HydrophobicContact CB-CD2 4.23Å; N334-D361 PolarHBondContact O-N 3.13Å; N334-V362 WeakPolarHBondContact ND2-CG2 3.5Å
335V95Very high97.2Very high7 Ų738.1 Ų38.14%0.04218%0.181CC..  trans-128.214173.9-62.60000111.6L207 I211 G306 I307 V333 D361L207-V335 HydrophobicContact CD2-CB 4.31Å; L207-V335 HydrophobicContact CD2-CG2 3.89Å; L207-V335 HydrophobicContact CG-CG2 4.26Å; I211-V335 HydrophobicContact CD1-CG2 3.82Å; I211-V335 HydrophobicContact CG1-CG1 4.3Å; I211-V335 HydrophobicContact CG1-CG2 4.06Å; G306-V335 PolarHBondContact O-N 2.81Å; G306-V335 VanDerWaalsContact O-N 3.08Å; I307-V335 HydrophobicContact CG1-CG2 4.14Å; V333-V335 HydrophobicContact CG1-CG1 4.17Å; V335-D361 HydrophobicContact CG1-CB 4.03Å
336G92.2Very high97.2Very high3 Ų335 Ų353%0.03117%0.168CC..SBendtrans-89.1-97.2-179.700000111.8G306 L308 N334G306-G336 PolarHBondContact O-N 3.49Å; L308-G336 CarbonylContact O-C 3.5Å; L308-G336 WeakPolarHBondContact O-CA 3.41Å; N334-G336 PolarHBondContact OD1-N 2.81Å
337R92.1Very high97.2Very high102 Ų10235.6 Ų35.639%0.38517%0.171SC..  trans-133.4146.5173-67.1-67.5-178.2-90.5-2.2110.4L308 N334 D339 T340L308-R337 PolarHBondContact O-N 2.79Å; N334-R337 PolarHBondContact ND2-O 3.11Å; R337-D339 VanDerWaalsContact C-N 3.34Å; R337-D339 WeakPolarHBondContact CB-OD1 3.02Å; R337-D339 PolarHBondContact O-N 2.73Å; R337-T340 HydrophobicContact CB-CG2 4.17Å; R337-T340 PolarHBondContact O-N 2.91Å; R337-T340 PolarHBondContact O-OG1 3.36Å
338G94.7Very high97.2Very high5 Ų535.3 Ų35.35%0.05218%0.175CC..G310 helixtrans-64.1-37.6-178.100000113.8T340 V341 F363G338-T340 PolarHBondContact O-N 3Å; G338-T340 VanDerWaalsContact O-N 3.15Å; G338-V341 PolarHBondContact O-N 3.26Å; G338-F363 VanDerWaalsContact CA-C 3.4Å; G338-F363 WeakPolarHBondContact CA-O 3.26Å
339D95Very high97.2Very high52 Ų5229.3 Ų29.328%0.27815%0.149SC..G310 helixtrans-66.4-10.7178.165.8-9.4000114.7G310 Y315 H316 R337 V341G310-D339 WeakPolarHBondContact CA-OD1 3.44Å; Y315-D339 WeakPolarHBondContact CA-O 3.5Å; Y315-D339 HydrophobicContact CD2-CB 3.97Å; Y315-D339 HydrophobicContact CE2-CB 4.04Å; H316-D339 PolarHBondContact CD2-O 3.45Å; H316-D339 PolarHBondContact N-O 3.32Å; R337-D339 VanDerWaalsContact C-N 3.34Å; R337-D339 WeakPolarHBondContact CB-OD1 3.02Å; R337-D339 PolarHBondContact O-N 2.73Å; D339-V341 PolarHBondContact O-N 3.08Å
340T97.4Very high97.3Very high0 Ų026.4 Ų26.40%013%0.128CC..G310 helixtrans-75.1-15.2170.866.40000112.4L308 T314 H316 I317 F318 R337 G338L308-T340 HydrophobicContact CB-CG2 4.11Å; T314-T340 WeakPolarHBondContact O-CA 3.42Å; H316-T340 CarbonylContact C-O 3.57Å; I317-T340 WeakPolarHBondContact CG2-O 3.29Å; I317-T340 PolarHBondContact N-O 3.48Å; F318-T340 WeakPolarHBondContact CD2-O 3.39Å; F318-T340 PolarHBondContact N-O 3.12Å; R337-T340 HydrophobicContact CB-CG2 4.17Å; R337-T340 PolarHBondContact O-N 2.91Å; R337-T340 PolarHBondContact O-OG1 3.36Å; G338-T340 PolarHBondContact O-N 3Å; G338-T340 VanDerWaalsContact O-N 3.15Å
341V98.5Very high97.3Very high6 Ų632.2 Ų32.24%0.03616%0.155CC..BIsolated β-bridgetrans-113128.4-179.7179.90000109.8F318 F323 F332 N334 G338 D339 T343 L346 E364F318-V341 HydrophobicContact CB-CB 4.41Å; F318-V341 HydrophobicContact CB-CG1 4.48Å; F318-V341 HydrophobicContact CB-CG2 3.96Å; F318-V341 HydrophobicContact CD2-CG2 3.78Å; F318-V341 HydrophobicContact CG-CG2 4.23Å; F323-V341 HydrophobicContact CZ-CG1 4.03Å; F332-V341 HydrophobicContact CE1-CG2 4.02Å; F332-V341 HydrophobicContact CZ-CG2 3.78Å; N334-V341 HydrophobicContact CB-CG2 4.25Å; N334-V341 WeakPolarHBondContact ND2-CG2 3.43Å; G338-V341 PolarHBondContact O-N 3.26Å; D339-V341 PolarHBondContact O-N 3.08Å; V341-T343 PolarHBondContact O-N 3.03Å; V341-L346 HydrophobicContact CG1-CB 4.01Å; V341-L346 HydrophobicContact CG1-CD2 3.97Å; V341-L346 HydrophobicContact CG1-CG 4.45Å; V341-E364 WeakPolarHBondContact O-CG 3.42Å
342H98.4Very high97.2Very high44 Ų4437.4 Ų37.420%0.20418%0.18CC..  trans-77.9100.3170.9-168.1-43.9000109.3H316 F318 N319 K344 E345 L346H316-H342 HydrophobicContact CB-CB 4.08Å; H316-H342 AromaticContact CE1-CD2 3.54Å; H316-H342 AromaticContact CE1-CG 3.88Å; H316-H342 AromaticContact CE1-NE2 3.92Å; H316-H342 AromaticContact CG-CD2 3.87Å; H316-H342 AromaticContact ND1-CD2 3.15Å; H316-H342 PolarHBondContact ND1-CD2 3.08Å; H316-H342 AromaticContact ND1-CG 3.72Å; H316-H342 AromaticContact ND1-NE2 3.85Å; F318-H342 PolarHBondContact O-N 3.08Å; N319-H342 HydrophobicContact CB-CB 4.5Å; H342-K344 VanDerWaalsContact C-N 3.34Å; H342-K344 PolarHBondContact O-N 3.21Å; H342-E345 HydrophobicContact CB-CB 4.19Å; H342-E345 HydrophobicContact CB-CG 4.4Å; H342-E345 IonicContact CD2-OE1 3.24Å; H342-E345 IonicContact NE2-OE1 3.69Å; H342-E345 PolarHBondContact O-N 2.95Å; H342-E345 VanDerWaalsContact O-N 3.13Å; H342-L346 PolarHBondContact O-N 3.03Å
343T98.1Very high97.2Very high27 Ų2744.6 Ų44.617%0.16621%0.211CC..Hα-helixtrans-58.3-41.9-170-58.70000113.1V341 E345 L346 I347 E364 L374V341-T343 PolarHBondContact O-N 3.03Å; T343-E345 PolarHBondContact O-N 3.34Å; T343-L346 WeakPolarHBondContact O-CB 3.39Å; T343-L346 PolarHBondContact O-N 3.29Å; T343-I347 HydrophobicContact CG2-CD1 4Å; T343-I347 WeakPolarHBondContact O-CG1 3.41Å; T343-I347 PolarHBondContact O-N 3.22Å; T343-E364 WeakPolarHBondContact CB-OE2 3.4Å; T343-E364 PolarHBondContact N-OE2 2.97Å; T343-E364 WeakPolarHBondContact OG1-CG 3.49Å; T343-E364 PolarHBondContact OG1-OE2 3.29Å; T343-L374 HydrophobicContact CG2-CD1 4.03Å
344K98.1Very high97.2Very high160 Ų16045.8 Ų45.870%0.69622%0.216SC*.Hα-helixtrans-62.1-43.4179.2-61.3-178.7179.6174.60112.5H342 I347 T348H342-K344 VanDerWaalsContact C-N 3.34Å; H342-K344 PolarHBondContact O-N 3.21Å; K344-I347 PolarHBondContact O-N 3.41Å; K344-T348 PolarHBondContact O-N 2.98Å; K344-T348 PolarHBondContact O-OG1 3.31Å
345E98.5Very high97.2Very high58 Ų5845.8 Ų45.827%0.27122%0.216SC..Hα-helixtrans-73.2-32179.8-66.2-176.5-171.200111.7N319 S320 H342 T343 T348 A349N319-E345 VanDerWaalsContact CA-OE2 3.25Å; N319-E345 WeakPolarHBondContact CA-OE2 3.45Å; N319-E345 WeakPolarHBondContact CB-OE2 3.36Å; S320-E345 PolarHBondContact N-OE2 3.21Å; S320-E345 PolarHBondContact OG-OE2 3.49Å; H342-E345 HydrophobicContact CB-CB 4.19Å; H342-E345 HydrophobicContact CB-CG 4.4Å; H342-E345 IonicContact CD2-OE1 3.24Å; H342-E345 IonicContact NE2-OE1 3.69Å; H342-E345 PolarHBondContact O-N 2.95Å; H342-E345 VanDerWaalsContact O-N 3.13Å; T343-E345 PolarHBondContact O-N 3.34Å; E345-T348 PolarHBondContact O-N 3.48Å; E345-A349 VanDerWaalsContact O-CB 3.31Å; E345-A349 WeakPolarHBondContact O-CB 3.42Å; E345-A349 PolarHBondContact O-N 2.88Å
346L98.6Very high97.3Very high3 Ų348.5 Ų48.52%0.01623%0.23CC..Hα-helixtrans-59.6-46.4168.3175.969.3000111.3F323 F332 V341 H342 T343 A349 L350 F355 L360 L374F323-L346 HydrophobicContact CE1-CD1 3.88Å; F323-L346 HydrophobicContact CE2-CB 3.97Å; F323-L346 HydrophobicContact CE2-CD1 4.24Å; F323-L346 HydrophobicContact CZ-CB 4.1Å; F323-L346 HydrophobicContact CZ-CD1 3.7Å; F323-L346 HydrophobicContact CZ-CG 4.49Å; F332-L346 HydrophobicContact CD1-CD1 4.18Å; F332-L346 HydrophobicContact CE1-CD1 4.4Å; V341-L346 HydrophobicContact CG1-CB 4.01Å; V341-L346 HydrophobicContact CG1-CD2 3.97Å; V341-L346 HydrophobicContact CG1-CG 4.45Å; H342-L346 PolarHBondContact O-N 3.03Å; T343-L346 WeakPolarHBondContact O-CB 3.39Å; T343-L346 PolarHBondContact O-N 3.29Å; L346-A349 PolarHBondContact O-N 3.23Å; L346-L350 HydrophobicContact CD1-CD1 4.36Å; L346-L350 HydrophobicContact CD1-CG 4.49Å; L346-L350 HydrophobicContact CG-CD1 4.06Å; L346-L350 WeakPolarHBondContact O-CG 3.49Å; L346-L350 PolarHBondContact O-N 3.33Å; L346-F355 HydrophobicContact CD1-CE1 4.18Å; L346-F355 HydrophobicContact CD1-CZ 3.67Å; L346-L360 HydrophobicContact CD2-CD1 3.72Å; L346-L360 HydrophobicContact CD2-CD2 4.07Å; L346-L374 HydrophobicContact CD2-CD2 4.23Å
347I98.5Very high97.6Very high23 Ų2348.8 Ų48.812%0.11823%0.231CC..Hα-helixtrans-59.6-49.8177.4-69.8164.8000110T343 K344 A349 L350 E351 P373 L374 F377T343-I347 HydrophobicContact CG2-CD1 4Å; T343-I347 WeakPolarHBondContact O-CG1 3.41Å; T343-I347 PolarHBondContact O-N 3.22Å; K344-I347 PolarHBondContact O-N 3.41Å; I347-A349 VanDerWaalsContact C-N 3.29Å; I347-A349 PolarHBondContact O-N 2.64Å; I347-L350 WeakPolarHBondContact O-CB 3.11Å; I347-L350 PolarHBondContact O-N 2.88Å; I347-L350 VanDerWaalsContact O-N 3.13Å; I347-E351 HydrophobicContact CG2-CG 4.43Å; I347-E351 WeakPolarHBondContact O-CG 3.47Å; I347-E351 PolarHBondContact O-N 2.81Å; I347-P373 HydrophobicContact CD1-CB 4.34Å; I347-P373 HydrophobicContact CD1-CG 4.25Å; I347-P373 HydrophobicContact CG2-CB 4.5Å; I347-L374 HydrophobicContact CD1-CG 4.39Å; I347-L374 HydrophobicContact CG1-CD2 3.77Å; I347-L374 HydrophobicContact CG1-CG 4.12Å; I347-F377 HydrophobicContact CG2-CE2 4.31Å; I347-F377 HydrophobicContact CG2-CZ 4.21Å
348T98.5Very high97.9Very high56 Ų5643.9 Ų43.934%0.34421%0.212SC..Hα-helixtrans-57.1-43.1175.9-58.80000111.6K344 E345 L350 E351 E352K344-T348 PolarHBondContact O-N 2.98Å; K344-T348 PolarHBondContact O-OG1 3.31Å; E345-T348 PolarHBondContact O-N 3.48Å; T348-L350 VanDerWaalsContact C-N 3.32Å; T348-L350 PolarHBondContact O-N 3.25Å; T348-E351 PolarHBondContact O-N 2.9Å; T348-E352 HydrophobicContact CG2-CG 4.3Å; T348-E352 WeakPolarHBondContact O-CB 3.47Å; T348-E352 WeakPolarHBondContact O-CG 3.07Å; T348-E352 PolarHBondContact O-N 3.43Å
349A98.5Very high98.1Very high2 Ų243.9 Ų43.92%0.01721%0.211CC..Hα-helixtrans-65.9-32.1178.800000113.9F323 E345 L346 I347 K353 H354 F355F323-A349 HydrophobicContact CB-CB 3.59Å; F323-A349 HydrophobicContact CD2-CB 4.13Å; F323-A349 HydrophobicContact CG-CB 3.96Å; E345-A349 VanDerWaalsContact O-CB 3.31Å; E345-A349 WeakPolarHBondContact O-CB 3.42Å; E345-A349 PolarHBondContact O-N 2.88Å; L346-A349 PolarHBondContact O-N 3.23Å; I347-A349 VanDerWaalsContact C-N 3.29Å; I347-A349 PolarHBondContact O-N 2.64Å; A349-K353 PolarHBondContact O-N 3.41Å; A349-K353 VanDerWaalsContact O-N 3.09Å; A349-H354 HydrophobicContact CB-CB 4.28Å; A349-H354 PolarHBondContact O-N 3.49Å; A349-F355 HydrophobicContact CB-CE1 3.93Å
350L98.4Very high98.2Very high4 Ų441.6 Ų41.62%0.02120%0.199CC..Hα-helixtrans-71-43.6173-71.8163.6000111.5L346 I347 T348 K353 F355 A358 L374 F377 V380L346-L350 HydrophobicContact CD1-CD1 4.36Å; L346-L350 HydrophobicContact CD1-CG 4.49Å; L346-L350 HydrophobicContact CG-CD1 4.06Å; L346-L350 WeakPolarHBondContact O-CG 3.49Å; L346-L350 PolarHBondContact O-N 3.33Å; I347-L350 WeakPolarHBondContact O-CB 3.11Å; I347-L350 PolarHBondContact O-N 2.88Å; I347-L350 VanDerWaalsContact O-N 3.13Å; T348-L350 VanDerWaalsContact C-N 3.32Å; T348-L350 PolarHBondContact O-N 3.25Å; L350-K353 PolarHBondContact O-N 2.99Å; L350-F355 HydrophobicContact CD2-CE2 3.49Å; L350-F355 VanDerWaalsContact CD2-CE2 3.49Å; L350-F355 HydrophobicContact CD2-CZ 3.53Å; L350-F355 HydrophobicContact CG-CE2 4.33Å; L350-F355 HydrophobicContact CG-CZ 3.85Å; L350-A358 HydrophobicContact CD2-CB 4.28Å; L350-L374 HydrophobicContact CD1-CD2 3.89Å; L350-F377 HydrophobicContact CB-CD1 3.92Å; L350-F377 HydrophobicContact CB-CE1 3.57Å; L350-F377 HydrophobicContact CB-CE2 4.49Å; L350-F377 HydrophobicContact CB-CZ 3.89Å; L350-F377 HydrophobicContact CD1-CD2 4.29Å; L350-F377 HydrophobicContact CD1-CE2 4.34Å; L350-F377 HydrophobicContact CD1-CG 4.42Å; L350-V380 HydrophobicContact CD1-CG2 3.61Å; L350-V380 HydrophobicContact CD2-CG2 3.84Å; L350-V380 HydrophobicContact CG-CG2 4.38Å
351E97.9Very high98.2Very high122 Ų12241.6 Ų41.657%0.5720%0.199SC*.Hα-helixtrans-62.1-44176.8-68.5175.6161.400111.7I347 T348 K353 F377I347-E351 HydrophobicContact CG2-CG 4.43Å; I347-E351 WeakPolarHBondContact O-CG 3.47Å; I347-E351 PolarHBondContact O-N 2.81Å; T348-E351 PolarHBondContact O-N 2.9Å; E351-K353 PolarHBondContact O-N 2.73Å; E351-F377 HydrophobicContact CG-CE1 3.97Å; E351-F377 HydrophobicContact CG-CZ 3.72Å
352E98.2Very high98.1Very high110 Ų11041.5 Ų41.551%0.51420%0.199SC..THydrogen-bonded Turntrans-80.9-1.5178.1-64.9-174.4172.600113.5T348 H354T348-E352 HydrophobicContact CG2-CG 4.3Å; T348-E352 WeakPolarHBondContact O-CB 3.47Å; T348-E352 WeakPolarHBondContact O-CG 3.07Å; T348-E352 PolarHBondContact O-N 3.43Å; E352-H354 PolarHBondContact O-N 2.93Å; E352-H354 IonicContact OE2-CD2 3.96Å; E352-H354 IonicContact OE2-CE1 2.73Å; E352-H354 PolarHBondContact OE2-CE1 3.26Å; E352-H354 IonicContact OE2-NE2 2.7Å; E352-H354 PolarHBondContact OE2-NE2 3.4Å
353K97.4Very high98Very high150 Ų15040.4 Ų40.465%0.65219%0.193SC*.THydrogen-bonded Turntrans53.353178.5-54.8-179.2-179.9-175.70112K328 A349 L350 E351 F355K328-K353 WeakPolarHBondContact CD-O 3.41Å; K328-K353 WeakPolarHBondContact CE-O 3.48Å; K328-K353 PolarHBondContact NZ-O 2.91Å; A349-K353 PolarHBondContact O-N 3.41Å; A349-K353 VanDerWaalsContact O-N 3.09Å; L350-K353 PolarHBondContact O-N 2.99Å; E351-K353 PolarHBondContact O-N 2.73Å; K353-F355 VanDerWaalsContact C-N 3.3Å
354H98.3Very high97.9Very high27 Ų2742.9 Ų42.913%0.12520%0.203CC..SBendtrans-71.8-26.6174.3-70.2-41.8000113.2F323 K328 A349 E352F323-H354 WeakPolarHBondContact O-CB 3.24Å; K328-H354 PolarHBondContact NZ-ND1 2.83Å; K328-H354 VanDerWaalsContact NZ-ND1 3.12Å; A349-H354 HydrophobicContact CB-CB 4.28Å; A349-H354 PolarHBondContact O-N 3.49Å; E352-H354 PolarHBondContact O-N 2.93Å; E352-H354 IonicContact OE2-CD2 3.96Å; E352-H354 IonicContact OE2-CE1 2.73Å; E352-H354 PolarHBondContact OE2-CE1 3.26Å; E352-H354 IonicContact OE2-NE2 2.7Å; E352-H354 PolarHBondContact OE2-NE2 3.4Å
355F98.4Very high97.8Very high1 Ų141.5 Ų41.50%0.00420%0.199CC..SBendtrans-142.3171.3171.360.3-92000109.5F323 M326 K328 A330 F332 L346 A349 L350 K353 F357 A358F323-F355 HydrophobicContact CB-CE1 4.38Å; F323-F355 HydrophobicContact CD1-CD1 4.23Å; F323-F355 AromaticContact CD1-CE1 3.75Å; F323-F355 HydrophobicContact CD1-CE1 3.75Å; F323-F355 HydrophobicContact CE1-CE1 4.34Å; F323-F355 HydrophobicContact CG-CE1 4.23Å; M326-F355 HydrophobicContact CB-CB 4.1Å; M326-F355 HydrophobicContact CE-CB 3.91Å; M326-F355 HydrophobicContact CE-CD1 4.44Å; M326-F355 HydrophobicContact CE-CG 4.1Å; M326-F355 HydrophobicContact SD-CB 4.3Å; M326-F355 HydrophobicContact SD-CD1 3.96Å; M326-F355 HydrophobicContact SD-CG 4.21Å; K328-F355 CarbonylContact O-C 3.59Å; A330-F355 HydrophobicContact CB-CB 4.19Å; F332-F355 HydrophobicContact CB-CD2 4.28Å; F332-F355 HydrophobicContact CB-CE2 4.1Å; F332-F355 HydrophobicContact CB-CZ 4.43Å; L346-F355 HydrophobicContact CD1-CE1 4.18Å; L346-F355 HydrophobicContact CD1-CZ 3.67Å; A349-F355 HydrophobicContact CB-CE1 3.93Å; L350-F355 HydrophobicContact CD2-CE2 3.49Å; L350-F355 VanDerWaalsContact CD2-CE2 3.49Å; L350-F355 HydrophobicContact CD2-CZ 3.53Å; L350-F355 HydrophobicContact CG-CE2 4.33Å; L350-F355 HydrophobicContact CG-CZ 3.85Å; K353-F355 VanDerWaalsContact C-N 3.3Å; F355-F357 WeakPolarHBondContact CD2-O 3.42Å; F355-A358 HydrophobicContact CE2-CB 3.77Å; F355-A358 HydrophobicContact CZ-CB 4.28Å
356D97.2Very high97.5Very high63 Ų6342.9 Ų42.934%0.33721%0.206SC..SBendtrans-88.4-40.9-165-1518.9000112.4Y218 K328 A330 N379Y218-D356 PolarHBondContact OH-OD2 3.24Å; K328-D356 WeakPolarHBondContact O-CB 3.24Å; K328-D356 PolarHBondContact O-N 3.18Å; A330-D356 PolarHBondContact O-N 2.75Å; D356-N379 VanDerWaalsContact O-CB 3.31Å; D356-N379 WeakPolarHBondContact O-CB 3.46Å; D356-N379 PolarHBondContact O-ND2 2.84Å
357F98.3Very high97.4Very high9 Ų948.5 Ų48.54%0.03924%0.242CC..EExtended strand (participates in β ladder)trans-147.8143.3-171.7178.8-101.8000112.4V214 Y218 A330 V331 F332 F355 A359 N379 L381V214-F357 HydrophobicContact CG1-CE1 4.33Å; Y218-F357 HydrophobicContact CD2-CB 3.72Å; Y218-F357 AromaticContact CD2-CD1 3.61Å; Y218-F357 HydrophobicContact CD2-CD1 3.61Å; Y218-F357 AromaticContact CD2-CD2 3.59Å; Y218-F357 HydrophobicContact CD2-CD2 3.59Å; Y218-F357 HydrophobicContact CD2-CE1 4.08Å; Y218-F357 HydrophobicContact CD2-CE2 4.08Å; Y218-F357 AromaticContact CD2-CG 3.35Å; Y218-F357 HydrophobicContact CD2-CG 3.35Å; Y218-F357 HydrophobicContact CD2-CZ 4.3Å; Y218-F357 HydrophobicContact CE1-CB 4.45Å; Y218-F357 HydrophobicContact CE2-CB 3.37Å; Y218-F357 HydrophobicContact CE2-CD1 4.2Å; Y218-F357 AromaticContact CE2-CD2 3.83Å; Y218-F357 HydrophobicContact CE2-CD2 3.83Å; Y218-F357 AromaticContact CE2-CG 3.55Å; Y218-F357 HydrophobicContact CE2-CG 3.55Å; Y218-F357 HydrophobicContact CG-CB 4.39Å; Y218-F357 AromaticContact CG-CD1 3.83Å; Y218-F357 HydrophobicContact CG-CD1 3.83Å; Y218-F357 HydrophobicContact CG-CE1 4.23Å; Y218-F357 HydrophobicContact CG-CG 4.03Å; A330-F357 PolarHBondContact O-N 2.8Å; V331-F357 CarbonylContact C-O 3.56Å; V331-F357 WeakPolarHBondContact CA-O 2.97Å; V331-F357 HydrophobicContact CG1-CD1 3.84Å; V331-F357 HydrophobicContact CG2-CB 4.31Å; V331-F357 HydrophobicContact CG2-CD1 4.42Å; F332-F357 PolarHBondContact N-O 2.75Å; F355-F357 WeakPolarHBondContact CD2-O 3.42Å; F357-A359 HydrophobicContact CE1-CB 3.99Å; F357-A359 HydrophobicContact CZ-CB 4.46Å; F357-N379 WeakPolarHBondContact CA-O 3.38Å; F357-N379 HydrophobicContact CD2-CB 4.43Å; F357-N379 WeakPolarHBondContact CD2-O 3.37Å; F357-L381 HydrophobicContact CE1-CB 4.5Å; F357-L381 HydrophobicContact CE2-CB 4.13Å; F357-L381 HydrophobicContact CZ-CB 3.55Å; F357-L381 HydrophobicContact CZ-CD2 4.41Å
358A98.7Very high97.3Very high0 Ų048.6 Ų48.60%024%0.243CC..EExtended strand (participates in β ladder)trans-122.9141.2169.700000112.2F332 L350 F355 L360 N379 V380 L381F332-A358 HydrophobicContact CB-CB 4.44Å; F332-A358 HydrophobicContact CD1-CB 4.4Å; F332-A358 CarbonylContact O-C 3.54Å; F332-A358 VanDerWaalsContact O-CA 3.23Å; F332-A358 WeakPolarHBondContact O-CA 3.35Å; L350-A358 HydrophobicContact CD2-CB 4.28Å; F355-A358 HydrophobicContact CE2-CB 3.77Å; F355-A358 HydrophobicContact CZ-CB 4.28Å; A358-L360 HydrophobicContact CB-CD2 4.49Å; A358-L360 HydrophobicContact CB-CG 4.46Å; A358-N379 PolarHBondContact N-O 2.78Å; A358-V380 HydrophobicContact CB-CG2 4.32Å; A358-V380 CarbonylContact O-C 3.47Å; A358-V380 VanDerWaalsContact O-CA 3.29Å; A358-V380 WeakPolarHBondContact O-CA 3.49Å; A358-L381 PolarHBondContact O-N 2.81Å
359A98.5Very high97.2Very high4 Ų447.6 Ų47.63%0.03324%0.237CC..EExtended strand (participates in β ladder)trans-121.5122.9166.200000110.6V214 F332 V333 N334 F357 L381V214-A359 HydrophobicContact CB-CB 4.46Å; V214-A359 HydrophobicContact CG1-CB 3.28Å; V214-A359 HydrophobicContact CG2-CB 4.36Å; F332-A359 PolarHBondContact O-N 3.33Å; V333-A359 CarbonylContact C-O 3.49Å; V333-A359 VanDerWaalsContact CA-O 3.28Å; V333-A359 WeakPolarHBondContact CA-O 3.45Å; V333-A359 HydrophobicContact CG1-CB 4.3Å; V333-A359 HydrophobicContact CG2-CB 4.29Å; N334-A359 PolarHBondContact N-O 2.86Å; F357-A359 HydrophobicContact CE1-CB 3.99Å; F357-A359 HydrophobicContact CZ-CB 4.46Å; A359-L381 CarbonylContact C-O 3.46Å; A359-L381 VanDerWaalsContact CA-O 3.3Å; A359-L381 WeakPolarHBondContact CA-O 3.45Å; A359-L381 HydrophobicContact CB-CB 4.26Å; A359-L381 HydrophobicContact CB-CD2 4.49Å
360L98.6Very high97.2Very high4 Ų456.2 Ų56.22%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-125.7118.1-170.1-53.5171.9000109.4F332 N334 L346 A358 F363 L374 V380 L381 I382 T383F332-L360 HydrophobicContact CD1-CD2 4.19Å; F332-L360 HydrophobicContact CE1-CD2 4.02Å; N334-L360 HydrophobicContact CB-CD2 4.23Å; L346-L360 HydrophobicContact CD2-CD1 3.72Å; L346-L360 HydrophobicContact CD2-CD2 4.07Å; A358-L360 HydrophobicContact CB-CD2 4.49Å; A358-L360 HydrophobicContact CB-CG 4.46Å; L360-F363 HydrophobicContact CB-CE1 3.61Å; L360-F363 HydrophobicContact CB-CZ 3.66Å; L360-F363 HydrophobicContact CD1-CE1 3.91Å; L360-F363 HydrophobicContact CG-CE1 4.41Å; L360-L374 HydrophobicContact CD1-CD1 4.05Å; L360-L374 HydrophobicContact CD1-CD2 4.27Å; L360-V380 HydrophobicContact CD1-CG1 4.02Å; L360-V380 HydrophobicContact CG-CG1 4.49Å; L360-L381 PolarHBondContact N-O 2.98Å; L360-I382 WeakPolarHBondContact O-CA 3.27Å; L360-T383 PolarHBondContact O-N 3.25Å
361D96.9Very high97.1Very high1 Ų163.6 Ų63.61%0.00531%0.309CS..SBendtrans-102.4-16.8174.3-166.261000112.6N334 V335 T383 H385 I386 S387N334-D361 PolarHBondContact O-N 3.13Å; V335-D361 HydrophobicContact CG1-CB 4.03Å; D361-T383 WeakPolarHBondContact CA-O 3.22Å; D361-T383 WeakPolarHBondContact CB-OG1 3.46Å; D361-T383 VanDerWaalsContact OD1-CB 3.26Å; D361-T383 WeakPolarHBondContact OD1-CB 3.32Å; D361-T383 PolarHBondContact OD1-OG1 3.3Å; D361-H385 WeakPolarHBondContact O-CA 3.03Å; D361-H385 PolarHBondContact O-N 3.09Å; D361-H385 WeakPolarHBondContact OD1-CA 3.37Å; D361-H385 PolarHBondContact OD1-N 2.63Å; D361-H385 WeakPolarHBondContact OD2-CA 3.3Å; D361-I386 PolarHBondContact OD1-N 2.81Å; D361-I386 PolarHBondContact OD2-N 3.39Å; D361-S387 PolarHBondContact OD1-N 3.36Å; D361-S387 WeakPolarHBondContact OD2-CB 3.5Å; D361-S387 PolarHBondContact OD2-N 2.77Å; D361-S387 PolarHBondContact OD2-OG 2.93Å
362V96Very high97.1Very high4 Ų458.6 Ų58.62%0.02429%0.287CS..  trans-136.7146.9-173.7-65.90000111.4N334 E366N334-V362 WeakPolarHBondContact ND2-CG2 3.5Å; V362-E366 WeakPolarHBondContact CA-OE1 3.46Å; V362-E366 WeakPolarHBondContact CB-OE1 3.35Å
363F97.3Very high97.1Very high20 Ų2056.4 Ų56.49%0.08828%0.283CS..  trans-139.5154.1-169.7-55.5-85.2000112.5G338 L360 E365 E366 L368 L374 I382G338-F363 VanDerWaalsContact CA-C 3.4Å; G338-F363 WeakPolarHBondContact CA-O 3.26Å; L360-F363 HydrophobicContact CB-CE1 3.61Å; L360-F363 HydrophobicContact CB-CZ 3.66Å; L360-F363 HydrophobicContact CD1-CE1 3.91Å; L360-F363 HydrophobicContact CG-CE1 4.41Å; F363-E365 VanDerWaalsContact C-N 3.25Å; F363-E365 WeakPolarHBondContact CB-O 3.43Å; F363-E365 PolarHBondContact O-N 2.98Å; F363-E366 HydrophobicContact CB-CG 4.01Å; F363-E366 HydrophobicContact CD2-CG 4.41Å; F363-E366 PolarHBondContact N-OE1 3.3Å; F363-L368 HydrophobicContact CB-CD1 4.31Å; F363-L368 HydrophobicContact CD1-CB 4.5Å; F363-L368 HydrophobicContact CD1-CD1 3.72Å; F363-L368 HydrophobicContact CD1-CD2 4.1Å; F363-L368 HydrophobicContact CD1-CG 4.34Å; F363-L368 HydrophobicContact CD2-CB 4.18Å; F363-L368 HydrophobicContact CE1-CD1 4.28Å; F363-L368 HydrophobicContact CE1-CD2 3.81Å; F363-L368 HydrophobicContact CE2-CB 4.47Å; F363-L368 HydrophobicContact CG-CB 4.21Å; F363-L368 HydrophobicContact CG-CD1 4Å; F363-L368 HydrophobicContact CZ-CD2 4.11Å; F363-L374 HydrophobicContact CD1-CD1 4.12Å; F363-L374 HydrophobicContact CE1-CD1 4.09Å; F363-I382 HydrophobicContact CE1-CG1 4.37Å; F363-I382 HydrophobicContact CE2-CG2 4.07Å; F363-I382 HydrophobicContact CZ-CB 4.31Å; F363-I382 HydrophobicContact CZ-CG1 3.98Å; F363-I382 HydrophobicContact CZ-CG2 3.65Å
364E95.4Very high97.2Very high79 Ų7949.3 Ų49.337%0.36925%0.252SS..SBendtrans-59.3-39.5176.8-71.5-173.994.100112H316 V341 T343H316-E364 IonicContact CD2-OE1 3.19Å; H316-E364 IonicContact CE1-OE1 2.97Å; H316-E364 IonicContact NE2-OE1 2.63Å; H316-E364 PolarHBondContact NE2-OE1 3.25Å; V341-E364 WeakPolarHBondContact O-CG 3.42Å; T343-E364 WeakPolarHBondContact CB-OE2 3.4Å; T343-E364 PolarHBondContact N-OE2 2.97Å; T343-E364 WeakPolarHBondContact OG1-CG 3.49Å; T343-E364 PolarHBondContact OG1-OE2 3.29Å
365E95.3Very high97.1Very high132 Ų13253.6 Ų53.662%0.61727%0.267SS*.SBendtrans-113.2118172.6-174175.2-177.300109F363 P367 P369F363-E365 VanDerWaalsContact C-N 3.25Å; F363-E365 WeakPolarHBondContact CB-O 3.43Å; F363-E365 PolarHBondContact O-N 2.98Å; E365-P367 CarbonylContact O-C 3.51Å; E365-P369 VanDerWaalsContact CD-CG 3.48Å; E365-P369 HydrophobicContact CG-CG 4.08Å; E365-P369 WeakPolarHBondContact OE2-CG 3.28Å
366E92.1Very high97.1Very high87 Ų8761.1 Ų61.141%0.40730%0.302SS..SBendtrans-121134.1179-76.4-176.8-163.500111.7V362 F363 H385V362-E366 WeakPolarHBondContact CA-OE1 3.46Å; V362-E366 WeakPolarHBondContact CB-OE1 3.35Å; F363-E366 HydrophobicContact CB-CG 4.01Å; F363-E366 HydrophobicContact CD2-CG 4.41Å; F363-E366 PolarHBondContact N-OE1 3.3Å; E366-H385 IonicContact OE1-ND1 2.89Å; E366-H385 IonicContact OE2-CE1 3.46Å; E366-H385 IonicContact OE2-CG 2.68Å; E366-H385 IonicContact OE2-ND1 3.1Å; E366-H385 PolarHBondContact OE2-ND1 2.9Å
367P96.1Very high97.1Very high121 Ų12160 Ų6079%0.78629%0.294SS*.SBendcis-64.7151.4-5.7-1932.9000113E365 P369E365-P367 CarbonylContact O-C 3.51Å; P367-P369 WeakPolarHBondContact O-CD 3.33Å
368L97.1Very high96.9Very high24 Ų2465.9 Ų65.913%0.12633%0.326CS..PPolyproline II helixtrans-56.4121.8178.9-176.367000110.2F363 S372 L374 W375 I382F363-L368 HydrophobicContact CB-CD1 4.31Å; F363-L368 HydrophobicContact CD1-CB 4.5Å; F363-L368 HydrophobicContact CD1-CD1 3.72Å; F363-L368 HydrophobicContact CD1-CD2 4.1Å; F363-L368 HydrophobicContact CD1-CG 4.34Å; F363-L368 HydrophobicContact CD2-CB 4.18Å; F363-L368 HydrophobicContact CE1-CD1 4.28Å; F363-L368 HydrophobicContact CE1-CD2 3.81Å; F363-L368 HydrophobicContact CE2-CB 4.47Å; F363-L368 HydrophobicContact CG-CB 4.21Å; F363-L368 HydrophobicContact CG-CD1 4Å; F363-L368 HydrophobicContact CZ-CD2 4.11Å; L368-S372 WeakPolarHBondContact CD1-OG 3.36Å; L368-L374 HydrophobicContact CD1-CD1 4.32Å; L368-L374 HydrophobicContact CD2-CB 4.22Å; L368-W375 HydrophobicContact CB-CZ2 3.8Å; L368-W375 HydrophobicContact CD2-CD2 4.04Å; L368-W375 VanDerWaalsContact CD2-CE2 3.48Å; L368-W375 HydrophobicContact CD2-CH2 4.19Å; L368-W375 HydrophobicContact CD2-CZ2 3.59Å; L368-W375 HydrophobicContact CG-CZ2 3.91Å; L368-I382 HydrophobicContact CD2-CD1 3.72Å
369P97.5Very high96.7Very high35 Ų3568 Ų6823%0.22734%0.338CS..PPolyproline II helixtrans-56.4147.2-179.1-28.536.3000112.4E365 P367 E371 S372 W375E365-P369 VanDerWaalsContact CD-CG 3.48Å; E365-P369 HydrophobicContact CG-CG 4.08Å; E365-P369 WeakPolarHBondContact OE2-CG 3.28Å; P367-P369 WeakPolarHBondContact O-CD 3.33Å; P369-E371 PolarHBondContact O-N 3.13Å; P369-S372 VanDerWaalsContact O-CB 3.24Å; P369-S372 WeakPolarHBondContact O-CB 3.44Å; P369-S372 PolarHBondContact O-N 3.48Å; P369-S372 VanDerWaalsContact O-N 3.09Å; P369-W375 PolarHBondContact O-NE1 2.75Å
370K97.5Very high96.7Very high183 Ų18368.7 Ų68.780%0.79634%0.342SS*.THydrogen-bonded Turntrans-64.4-25.2-178.8-70.1-176178-179.80112.5S372K370-S372 VanDerWaalsContact C-N 3.28Å
371E97.5Very high96.7Very high159 Ų15970.8 Ų70.874%0.74335%0.353SS*.THydrogen-bonded Turntrans-84.7-2.8-179-57.271.6-157.400112.3P369P369-E371 PolarHBondContact O-N 3.13Å
372S97.8Very high96.7Very high17 Ų1772.4 Ų72.412%0.11936%0.361CS..  trans-63.8128.4-179.8-179.30000111.4L368 P369 K370 L374 W375L368-S372 WeakPolarHBondContact CD1-OG 3.36Å; P369-S372 VanDerWaalsContact O-CB 3.24Å; P369-S372 WeakPolarHBondContact O-CB 3.44Å; P369-S372 PolarHBondContact O-N 3.48Å; P369-S372 VanDerWaalsContact O-N 3.09Å; K370-S372 VanDerWaalsContact C-N 3.28Å; S372-L374 PolarHBondContact O-N 3.4Å; S372-L374 VanDerWaalsContact O-N 3.1Å; S372-L374 PolarHBondContact OG-N 2.72Å; S372-W375 VanDerWaalsContact O-CD1 3.23Å; S372-W375 PolarHBondContact O-N 2.97Å
373P97.7Very high96.8Very high64 Ų6473.2 Ų73.242%0.41637%0.366SS..G310 helixtrans-58.8-22.6174.4-25.635.1000114I347 W375 E376 F377I347-P373 HydrophobicContact CD1-CB 4.34Å; I347-P373 HydrophobicContact CD1-CG 4.25Å; I347-P373 HydrophobicContact CG2-CB 4.5Å; P373-W375 PolarHBondContact O-N 3.3Å; P373-W375 VanDerWaalsContact O-N 3.12Å; P373-E376 PolarHBondContact O-N 3.45Å; P373-F377 HydrophobicContact CB-CE2 4.39Å; P373-F377 VanDerWaalsContact O-CD2 3.29Å; P373-F377 WeakPolarHBondContact O-CD2 3.46Å
374L98.3Very high96.6Very high2 Ų277.1 Ų77.11%0.0139%0.393CS..G310 helixtrans-58.3-25.7-179.9-69.5177000113.2T343 L346 I347 L350 L360 F363 L368 S372 E376 I382T343-L374 HydrophobicContact CG2-CD1 4.03Å; L346-L374 HydrophobicContact CD2-CD2 4.23Å; I347-L374 HydrophobicContact CD1-CG 4.39Å; I347-L374 HydrophobicContact CG1-CD2 3.77Å; I347-L374 HydrophobicContact CG1-CG 4.12Å; L350-L374 HydrophobicContact CD1-CD2 3.89Å; L360-L374 HydrophobicContact CD1-CD1 4.05Å; L360-L374 HydrophobicContact CD1-CD2 4.27Å; F363-L374 HydrophobicContact CD1-CD1 4.12Å; F363-L374 HydrophobicContact CE1-CD1 4.09Å; L368-L374 HydrophobicContact CD1-CD1 4.32Å; L368-L374 HydrophobicContact CD2-CB 4.22Å; S372-L374 PolarHBondContact O-N 3.4Å; S372-L374 VanDerWaalsContact O-N 3.1Å; S372-L374 PolarHBondContact OG-N 2.72Å; L374-E376 VanDerWaalsContact C-N 3.26Å; L374-E376 PolarHBondContact O-N 2.78Å; L374-I382 HydrophobicContact CB-CD1 4.19Å
375W98Very high96.5Very high116 Ų11677.3 Ų77.344%0.43939%0.394SS..G310 helixtrans-67.5-24.5176.3-65.5118.6000113.8L368 P369 S372 P373 I382L368-W375 HydrophobicContact CB-CZ2 3.8Å; L368-W375 HydrophobicContact CD2-CD2 4.04Å; L368-W375 VanDerWaalsContact CD2-CE2 3.48Å; L368-W375 HydrophobicContact CD2-CH2 4.19Å; L368-W375 HydrophobicContact CD2-CZ2 3.59Å; L368-W375 HydrophobicContact CG-CZ2 3.91Å; P369-W375 PolarHBondContact O-NE1 2.75Å; S372-W375 VanDerWaalsContact O-CD1 3.23Å; S372-W375 PolarHBondContact O-N 2.97Å; P373-W375 PolarHBondContact O-N 3.3Å; P373-W375 VanDerWaalsContact O-N 3.12Å; W375-I382 HydrophobicContact CD2-CD1 3.89Å; W375-I382 HydrophobicContact CE3-CB 4.44Å; W375-I382 HydrophobicContact CE3-CD1 3.4Å; W375-I382 HydrophobicContact CE3-CG2 4.43Å; W375-I382 HydrophobicContact CH2-CB 4.49Å; W375-I382 HydrophobicContact CH2-CD1 4.34Å; W375-I382 HydrophobicContact CH2-CG2 3.65Å; W375-I382 HydrophobicContact CZ3-CB 3.87Å; W375-I382 HydrophobicContact CZ3-CD1 3.65Å; W375-I382 HydrophobicContact CZ3-CG1 4.36Å; W375-I382 HydrophobicContact CZ3-CG2 3.52Å
376E97.3Very high96.3Very high160 Ų16074.4 Ų74.475%0.74838%0.382SS*.G310 helixtrans-93-11.9-170.4-57.7-59.7138.700113.3P373 L374 D378P373-E376 PolarHBondContact O-N 3.45Å; L374-E376 VanDerWaalsContact C-N 3.26Å; L374-E376 PolarHBondContact O-N 2.78Å; E376-D378 PolarHBondContact O-N 3.48Å
377F97.5Very high96.1Very high38 Ų3870.6 Ų70.617%0.16737%0.365CS..  trans-77.3121.6-179.7-72.6-85.4000111.9I347 L350 E351 P373 N379 V380I347-F377 HydrophobicContact CG2-CE2 4.31Å; I347-F377 HydrophobicContact CG2-CZ 4.21Å; L350-F377 HydrophobicContact CB-CD1 3.92Å; L350-F377 HydrophobicContact CB-CE1 3.57Å; L350-F377 HydrophobicContact CB-CE2 4.49Å; L350-F377 HydrophobicContact CB-CZ 3.89Å; L350-F377 HydrophobicContact CD1-CD2 4.29Å; L350-F377 HydrophobicContact CD1-CE2 4.34Å; L350-F377 HydrophobicContact CD1-CG 4.42Å; E351-F377 HydrophobicContact CG-CE1 3.97Å; E351-F377 HydrophobicContact CG-CZ 3.72Å; P373-F377 HydrophobicContact CB-CE2 4.39Å; P373-F377 VanDerWaalsContact O-CD2 3.29Å; P373-F377 WeakPolarHBondContact O-CD2 3.46Å; F377-N379 PolarHBondContact O-N 2.91Å; F377-V380 HydrophobicContact CB-CB 3.81Å; F377-V380 HydrophobicContact CB-CG2 3.39Å; F377-V380 HydrophobicContact CD2-CG2 4.39Å; F377-V380 HydrophobicContact CG-CG2 4Å; F377-V380 PolarHBondContact O-N 2.68Å
378D93.4Very high95.3Very high134 Ų13466.1 Ų66.172%0.71734%0.34SS*.THydrogen-bonded Turntrans-65.4-25.1178-94.6-40.6000114.2K227 E376K227-D378 PolarHBondContact NZ-O 3.27Å; K227-D378 IonicContact NZ-OD1 2.86Å; K227-D378 PolarHBondContact NZ-OD1 2.95Å; E376-D378 PolarHBondContact O-N 3.48Å
379N94.9Very high94.5Very high45 Ų4571.1 Ų71.124%0.24137%0.365CS..THydrogen-bonded Turntrans-100.820.3179.566.9-35000113.1D356 F357 A358 F377D356-N379 VanDerWaalsContact O-CB 3.31Å; D356-N379 WeakPolarHBondContact O-CB 3.46Å; D356-N379 PolarHBondContact O-ND2 2.84Å; F357-N379 WeakPolarHBondContact CA-O 3.38Å; F357-N379 HydrophobicContact CD2-CB 4.43Å; F357-N379 WeakPolarHBondContact CD2-O 3.37Å; A358-N379 PolarHBondContact N-O 2.78Å; F377-N379 PolarHBondContact O-N 2.91Å
380V98.2Very high93.2Very high18 Ų1870.5 Ų70.511%0.10936%0.36CS..EExtended strand (participates in β ladder)trans-116.8129.9170.8178.70000109.5L350 A358 L360 F377 I382L350-V380 HydrophobicContact CD1-CG2 3.61Å; L350-V380 HydrophobicContact CD2-CG2 3.84Å; L350-V380 HydrophobicContact CG-CG2 4.38Å; A358-V380 HydrophobicContact CB-CG2 4.32Å; A358-V380 CarbonylContact O-C 3.47Å; A358-V380 VanDerWaalsContact O-CA 3.29Å; A358-V380 WeakPolarHBondContact O-CA 3.49Å; L360-V380 HydrophobicContact CD1-CG1 4.02Å; L360-V380 HydrophobicContact CG-CG1 4.49Å; F377-V380 HydrophobicContact CB-CB 3.81Å; F377-V380 HydrophobicContact CB-CG2 3.39Å; F377-V380 HydrophobicContact CD2-CG2 4.39Å; F377-V380 HydrophobicContact CG-CG2 4Å; F377-V380 PolarHBondContact O-N 2.68Å; V380-I382 HydrophobicContact CG1-CD1 4.4Å; V380-I382 HydrophobicContact CG1-CG1 3.99Å
381L98.1Very high91.9Very high48 Ų4867.9 Ų67.925%0.25136%0.359SS..EExtended strand (participates in β ladder)trans-104.8121.5168.8175.165000109.3V214 F357 A358 A359 L360 T383V214-L381 HydrophobicContact CG1-CD2 4.43Å; V214-L381 HydrophobicContact CG2-CD2 4.04Å; F357-L381 HydrophobicContact CE1-CB 4.5Å; F357-L381 HydrophobicContact CE2-CB 4.13Å; F357-L381 HydrophobicContact CZ-CB 3.55Å; F357-L381 HydrophobicContact CZ-CD2 4.41Å; A358-L381 PolarHBondContact O-N 2.81Å; A359-L381 CarbonylContact C-O 3.46Å; A359-L381 VanDerWaalsContact CA-O 3.3Å; A359-L381 WeakPolarHBondContact CA-O 3.45Å; A359-L381 HydrophobicContact CB-CB 4.26Å; A359-L381 HydrophobicContact CB-CD2 4.49Å; L360-L381 PolarHBondContact N-O 2.98Å; L381-T383 HydrophobicContact CG-CG2 4.46Å
382I98.4Very high90.7Very high34 Ų3464.2 Ų64.217%0.17435%0.345CS..EExtended strand (participates in β ladder)trans-105.9129.2175.9-68.1163000109.1L360 F363 L368 L374 W375 V380L360-I382 WeakPolarHBondContact O-CA 3.27Å; F363-I382 HydrophobicContact CE1-CG1 4.37Å; F363-I382 HydrophobicContact CE2-CG2 4.07Å; F363-I382 HydrophobicContact CZ-CB 4.31Å; F363-I382 HydrophobicContact CZ-CG1 3.98Å; F363-I382 HydrophobicContact CZ-CG2 3.65Å; L368-I382 HydrophobicContact CD2-CD1 3.72Å; L374-I382 HydrophobicContact CB-CD1 4.19Å; W375-I382 HydrophobicContact CD2-CD1 3.89Å; W375-I382 HydrophobicContact CE3-CB 4.44Å; W375-I382 HydrophobicContact CE3-CD1 3.4Å; W375-I382 HydrophobicContact CE3-CG2 4.43Å; W375-I382 HydrophobicContact CH2-CB 4.49Å; W375-I382 HydrophobicContact CH2-CD1 4.34Å; W375-I382 HydrophobicContact CH2-CG2 3.65Å; W375-I382 HydrophobicContact CZ3-CB 3.87Å; W375-I382 HydrophobicContact CZ3-CD1 3.65Å; W375-I382 HydrophobicContact CZ3-CG1 4.36Å; W375-I382 HydrophobicContact CZ3-CG2 3.52Å; V380-I382 HydrophobicContact CG1-CD1 4.4Å; V380-I382 HydrophobicContact CG1-CG1 3.99Å
383T96.6Very high89.2Confident21 Ų2168.3 Ų68.313%0.12936%0.361CS..  trans-120.6139.6168.854.90000109.6H210 L360 D361 L381 H385 I386H210-T383 PolarHBondContact NE2-OG1 2.78Å; L360-T383 PolarHBondContact O-N 3.25Å; D361-T383 WeakPolarHBondContact CA-O 3.22Å; D361-T383 WeakPolarHBondContact CB-OG1 3.46Å; D361-T383 VanDerWaalsContact OD1-CB 3.26Å; D361-T383 WeakPolarHBondContact OD1-CB 3.32Å; D361-T383 PolarHBondContact OD1-OG1 3.3Å; L381-T383 HydrophobicContact CG-CG2 4.46Å; T383-H385 VanDerWaalsContact C-N 3.3Å; T383-H385 PolarHBondContact O-N 3.47Å; T383-I386 HydrophobicContact CG2-CD1 4.48Å
384P94.7Very high87.7Confident103 Ų10372.5 Ų72.567%0.66938%0.375SS*.  trans-86.266.3-168.232.7-33.7000112I386P384-I386 VanDerWaalsContact C-N 3.31Å; P384-I386 HydrophobicContact CG-CG2 3.87Å; P384-I386 WeakPolarHBondContact O-CG2 3.4Å; P384-I386 PolarHBondContact O-N 2.84Å
385H92.5Very high86.4Confident83 Ų8375.5 Ų75.538%0.38439%0.391SS..SBendtrans55.743.4179.2-154.1149.5000112.9D361 E366 T383D361-H385 WeakPolarHBondContact O-CA 3.03Å; D361-H385 PolarHBondContact O-N 3.09Å; D361-H385 WeakPolarHBondContact OD1-CA 3.37Å; D361-H385 PolarHBondContact OD1-N 2.63Å; D361-H385 WeakPolarHBondContact OD2-CA 3.3Å; E366-H385 IonicContact OE1-ND1 2.89Å; E366-H385 IonicContact OE2-CE1 3.46Å; E366-H385 IonicContact OE2-CG 2.68Å; E366-H385 IonicContact OE2-ND1 3.1Å; E366-H385 PolarHBondContact OE2-ND1 2.9Å; T383-H385 VanDerWaalsContact C-N 3.3Å; T383-H385 PolarHBondContact O-N 3.47Å
386I90.6Very high85.1Confident71 Ų7174 Ų7436%0.36439%0.388SS..  trans-105.6-8-174.863.7171.6000113.7D361 T383 P384 G388 M389D361-I386 PolarHBondContact OD1-N 2.81Å; D361-I386 PolarHBondContact OD2-N 3.39Å; T383-I386 HydrophobicContact CG2-CD1 4.48Å; P384-I386 VanDerWaalsContact C-N 3.31Å; P384-I386 HydrophobicContact CG-CG2 3.87Å; P384-I386 WeakPolarHBondContact O-CG2 3.4Å; P384-I386 PolarHBondContact O-N 2.84Å; I386-G388 PolarHBondContact O-N 2.84Å; I386-G388 VanDerWaalsContact O-N 3.17Å; I386-M389 HydrophobicContact CB-CG 4.36Å; I386-M389 HydrophobicContact CB-SD 3.96Å; I386-M389 HydrophobicContact CG2-SD 3.66Å; I386-M389 WeakPolarHBondContact O-CB 3.38Å; I386-M389 PolarHBondContact O-N 2.86Å
387S88.4Confident83.7Confident7 Ų767.9 Ų67.95%0.04936%0.358CS..THydrogen-bonded Turntrans-57.3-34.2-175.963.80000113.1L207 D361L207-S387 WeakPolarHBondContact CD1-O 3.28Å; D361-S387 PolarHBondContact OD1-N 3.36Å; D361-S387 WeakPolarHBondContact OD2-CB 3.5Å; D361-S387 PolarHBondContact OD2-N 2.77Å; D361-S387 PolarHBondContact OD2-OG 2.93Å
388G80.5Confident82.5Confident26 Ų2668.4 Ų68.427%0.26836%0.362SS..THydrogen-bonded Turntrans-85.3-5177.100000116.1L207 I386L207-G388 VanDerWaalsContact CD1-CA 3.44Å; I386-G388 PolarHBondContact O-N 2.84Å; I386-G388 VanDerWaalsContact O-N 3.17Å
389M78.2Confident81.8Confident129 Ų12970 Ų7064%0.63536%0.363SS*.  trans-74.5144.9-172.5-67.2-173.282.200113K206 I386K206-M389 WeakPolarHBondContact CD-O 3.34Å; I386-M389 HydrophobicContact CB-CG 4.36Å; I386-M389 HydrophobicContact CB-SD 3.96Å; I386-M389 HydrophobicContact CG2-SD 3.66Å; I386-M389 WeakPolarHBondContact O-CB 3.38Å; I386-M389 PolarHBondContact O-N 2.86Å
390T70.7Confident81Confident22 Ų2269 Ų6914%0.13536%0.357CS..  trans-132.9138176.4-176.10000112.6M202 K206 F393 K396M202-T390 HydrophobicContact SD-CG2 4.36Å; K206-T390 VanDerWaalsContact CE-CB 3.41Å; K206-T390 WeakPolarHBondContact CE-OG1 3.38Å; K206-T390 PolarHBondContact NZ-OG1 3.36Å; T390-F393 HydrophobicContact CG2-CB 4.09Å; T390-F393 HydrophobicContact CG2-CD2 4.2Å; T390-K396 HydrophobicContact CG2-CD 4.28Å; T390-K396 PolarHBondContact OG1-NZ 3.35Å
391V71.5Confident80Confident129 Ų12969.1 Ų69.178%0.78236%0.356SS*.THydrogen-bonded Turntrans-58.6141.3157-172.70000108.5F393V391-F393 PolarHBondContact O-N 3.39Å
392D71.1Confident79.1Confident82 Ų8267.9 Ų67.944%0.43935%0.35SS..THydrogen-bonded Turntrans62.438.4-179.4-160.517.5000114.5Q394 N395 K396D392-Q394 PolarHBondContact O-N 2.72Å; D392-N395 PolarHBondContact O-N 2.74Å; D392-N395 VanDerWaalsContact OD1-CB 3.28Å; D392-N395 WeakPolarHBondContact OD1-CB 3.34Å; D392-N395 VanDerWaalsContact OD1-CG 3.23Å; D392-N395 PolarHBondContact OD1-ND2 3.36Å; D392-N395 VanDerWaalsContact OD2-CB 3.28Å; D392-N395 WeakPolarHBondContact OD2-CB 3.45Å; D392-N395 PolarHBondContact OD2-ND2 3.48Å; D392-K396 PolarHBondContact O-N 2.73Å
393F66.3Low78.3Confident102 Ų10268.7 Ų68.745%0.44736%0.358SS..Hα-helixtrans-46.4-45.6174.6178.6-91.3000112.3I199 M202 T390 V391 N395 K396 F397I199-F393 HydrophobicContact CG1-CZ 4.45Å; M202-F393 HydrophobicContact CE-CD2 3.77Å; M202-F393 HydrophobicContact CE-CE2 3.48Å; M202-F393 VanDerWaalsContact CE-CE2 3.48Å; M202-F393 HydrophobicContact CE-CG 4.43Å; M202-F393 HydrophobicContact CE-CZ 3.91Å; M202-F393 HydrophobicContact SD-CD2 4.38Å; T390-F393 HydrophobicContact CG2-CB 4.09Å; T390-F393 HydrophobicContact CG2-CD2 4.2Å; V391-F393 PolarHBondContact O-N 3.39Å; F393-N395 PolarHBondContact O-N 3.31Å; F393-K396 PolarHBondContact O-N 3.09Å; F393-F397 HydrophobicContact CE1-CB 4.37Å; F393-F397 HydrophobicContact CZ-CD2 4.44Å; F393-F397 WeakPolarHBondContact O-CB 3.45Å; F393-F397 PolarHBondContact O-N 3.46Å
394Q66.3Low77.6Confident153 Ų15367.7 Ų67.772%0.71535%0.352SS*.Hα-helixtrans-60-49.3-177.7-70.7-176.6-19.600112.5D392 K396 M398D392-Q394 PolarHBondContact O-N 2.72Å; Q394-K396 PolarHBondContact O-N 3.44Å; Q394-M398 VanDerWaalsContact O-CB 3.29Å; Q394-M398 WeakPolarHBondContact O-CB 3.2Å; Q394-M398 WeakPolarHBondContact O-CG 3.46Å; Q394-M398 PolarHBondContact O-N 3.5Å
395N71.7Confident77Confident65 Ų6563.4 Ų63.435%0.34832%0.323SS..Hα-helixtrans-67.4-40.9-177.6-77.7-41.8000112.6K21 D392 F393 K399K21-N395 WeakPolarHBondContact CE-OD1 3.4Å; K21-N395 PolarHBondContact NZ-OD1 3.22Å; D392-N395 PolarHBondContact O-N 2.74Å; D392-N395 VanDerWaalsContact OD1-CB 3.28Å; D392-N395 WeakPolarHBondContact OD1-CB 3.34Å; D392-N395 VanDerWaalsContact OD1-CG 3.23Å; D392-N395 PolarHBondContact OD1-ND2 3.36Å; D392-N395 VanDerWaalsContact OD2-CB 3.28Å; D392-N395 WeakPolarHBondContact OD2-CB 3.45Å; D392-N395 PolarHBondContact OD2-ND2 3.48Å; F393-N395 PolarHBondContact O-N 3.31Å; N395-K399 PolarHBondContact O-N 3.43Å
396K69.9Low76.5Confident85 Ų8564 Ų6437%0.3733%0.325SS..Hα-helixtrans-67.9-43.5179.8-70.2-178.1-178.1-179.70111.3M202 T390 D392 F393 Q394 M398 K399 I400M202-K396 HydrophobicContact CG-CB 3.9Å; M202-K396 VanDerWaalsContact SD-C 3.52Å; M202-K396 HydrophobicContact SD-CB 3.29Å; M202-K396 WeakPolarHBondContact SD-CB 3.36Å; T390-K396 HydrophobicContact CG2-CD 4.28Å; T390-K396 PolarHBondContact OG1-NZ 3.35Å; D392-K396 PolarHBondContact O-N 2.73Å; F393-K396 PolarHBondContact O-N 3.09Å; Q394-K396 PolarHBondContact O-N 3.44Å; K396-M398 PolarHBondContact O-N 3.34Å; K396-K399 PolarHBondContact O-N 3.27Å; K396-I400 PolarHBondContact O-N 3.01Å
397F68.8Low76.1Confident30 Ų3061.1 Ų61.113%0.13231%0.311CS..Hα-helixtrans-57.8-51.4175177.9-97.1000110.2I195 I199 M202 F393 K399 I400 F401I195-F397 HydrophobicContact CG1-CZ 4.24Å; I199-F397 HydrophobicContact CG1-CE2 4.38Å; M202-F397 HydrophobicContact CE-CB 3.46Å; M202-F397 VanDerWaalsContact CE-CB 3.46Å; M202-F397 HydrophobicContact CE-CD2 3.79Å; M202-F397 HydrophobicContact CE-CG 4.12Å; M202-F397 HydrophobicContact SD-CB 4Å; M202-F397 PolarHBondContact SD-N 2.91Å; F393-F397 HydrophobicContact CE1-CB 4.37Å; F393-F397 HydrophobicContact CZ-CD2 4.44Å; F393-F397 WeakPolarHBondContact O-CB 3.45Å; F393-F397 PolarHBondContact O-N 3.46Å; F397-K399 VanDerWaalsContact C-N 3.25Å; F397-K399 PolarHBondContact O-N 2.96Å; F397-I400 PolarHBondContact O-N 2.88Å; F397-I400 VanDerWaalsContact O-N 3.11Å; F397-F401 HydrophobicContact CD1-CB 4.27Å; F397-F401 HydrophobicContact CE1-CB 3.95Å; F397-F401 HydrophobicContact CE1-CD2 4.07Å; F397-F401 HydrophobicContact CE1-CG 4.13Å; F397-F401 HydrophobicContact CZ-CB 4.32Å; F397-F401 HydrophobicContact CZ-CD2 4.07Å; F397-F401 HydrophobicContact CZ-CG 4.49Å; F397-F401 WeakPolarHBondContact O-CB 3.39Å; F397-F401 PolarHBondContact O-N 3.35Å
398M72.1Confident75.7Confident49 Ų4962.9 Ų62.924%0.24132%0.317CS..Hα-helixtrans-60.9-34.8-178.3-73.4-57.5-63.400112Q394 K396 I400 F401 L402Q394-M398 VanDerWaalsContact O-CB 3.29Å; Q394-M398 WeakPolarHBondContact O-CB 3.2Å; Q394-M398 WeakPolarHBondContact O-CG 3.46Å; Q394-M398 PolarHBondContact O-N 3.5Å; K396-M398 PolarHBondContact O-N 3.34Å; M398-I400 PolarHBondContact O-N 2.89Å; M398-F401 HydrophobicContact CE-CD1 4.35Å; M398-F401 HydrophobicContact SD-CD1 4.45Å; M398-L402 HydrophobicContact CE-CD1 4.23Å; M398-L402 HydrophobicContact CE-CD2 4.17Å; M398-L402 HydrophobicContact CE-CG 4.1Å; M398-L402 WeakPolarHBondContact O-CB 3.45Å; M398-L402 WeakPolarHBondContact O-CG 3.19Å; M398-L402 PolarHBondContact O-N 2.89Å
399K77.8Confident75.6Confident169 Ų16962.9 Ų62.974%0.73531%0.312SS*.Hα-helixtrans-61.5-44.1175.9-171.3178.9178.7-176.50112.2N395 K396 F397 S403N395-K399 PolarHBondContact O-N 3.43Å; K396-K399 PolarHBondContact O-N 3.27Å; F397-K399 VanDerWaalsContact C-N 3.25Å; F397-K399 PolarHBondContact O-N 2.96Å; K399-S403 PolarHBondContact O-N 2.82Å
400I78.8Confident75.8Confident22 Ų2260.8 Ų60.811%0.11331%0.31CS..Hα-helixtrans-72.9-49.1179.6-59.8-178.4000110.3G201 M202 K396 F397 M398 L402 S403 N404 V416G201-I400 WeakPolarHBondContact O-CD1 3.48Å; M202-I400 HydrophobicContact CG-CD1 3.94Å; K396-I400 PolarHBondContact O-N 3.01Å; F397-I400 PolarHBondContact O-N 2.88Å; F397-I400 VanDerWaalsContact O-N 3.11Å; M398-I400 PolarHBondContact O-N 2.89Å; I400-L402 VanDerWaalsContact C-N 3.3Å; I400-L402 PolarHBondContact O-N 3.27Å; I400-S403 WeakPolarHBondContact O-CB 3.39Å; I400-S403 PolarHBondContact O-N 2.76Å; I400-S403 VanDerWaalsContact O-N 3.15Å; I400-N404 WeakPolarHBondContact O-CB 3.41Å; I400-N404 PolarHBondContact O-N 2.85Å; I400-V416 HydrophobicContact CG2-CB 4.4Å; I400-V416 HydrophobicContact CG2-CG1 3.87Å
401F76.4Confident76.3Confident21 Ų2162.5 Ų62.59%0.09232%0.322CS..Hα-helixtrans-54.1-46.2177.6176.3-90000111.5L32 L194 F397 M398 N404 L405L32-F401 HydrophobicContact CD2-CZ 4.47Å; L194-F401 HydrophobicContact CB-CD2 3.77Å; L194-F401 HydrophobicContact CB-CE2 3.47Å; L194-F401 VanDerWaalsContact CB-CE2 3.47Å; L194-F401 HydrophobicContact CD1-CE2 3.64Å; L194-F401 HydrophobicContact CD1-CZ 3.98Å; L194-F401 HydrophobicContact CD2-CE2 4.49Å; L194-F401 HydrophobicContact CG-CE2 4.07Å; F397-F401 HydrophobicContact CD1-CB 4.27Å; F397-F401 HydrophobicContact CE1-CB 3.95Å; F397-F401 HydrophobicContact CE1-CD2 4.07Å; F397-F401 HydrophobicContact CE1-CG 4.13Å; F397-F401 HydrophobicContact CZ-CB 4.32Å; F397-F401 HydrophobicContact CZ-CD2 4.07Å; F397-F401 HydrophobicContact CZ-CG 4.49Å; F397-F401 WeakPolarHBondContact O-CB 3.39Å; F397-F401 PolarHBondContact O-N 3.35Å; M398-F401 HydrophobicContact CE-CD1 4.35Å; M398-F401 HydrophobicContact SD-CD1 4.45Å; F401-N404 PolarHBondContact O-N 3.41Å; F401-L405 HydrophobicContact CE1-CB 4.46Å; F401-L405 HydrophobicContact CE1-CD2 3.91Å; F401-L405 HydrophobicContact CZ-CD2 4.4Å; F401-L405 WeakPolarHBondContact O-CB 3.37Å; F401-L405 PolarHBondContact O-N 2.89Å
402L79.7Confident76.6Confident23 Ų2362.8 Ų62.812%0.1231%0.313CS..Hα-helixtrans-69.5-35.4-179.9-68.9179000113A20 K21 M398 I400 K406A20-L402 HydrophobicContact CB-CD1 4.4Å; A20-L402 HydrophobicContact CB-CD2 3.49Å; A20-L402 VanDerWaalsContact CB-CD2 3.49Å; K21-L402 HydrophobicContact CB-CD1 4.05Å; M398-L402 HydrophobicContact CE-CD1 4.23Å; M398-L402 HydrophobicContact CE-CD2 4.17Å; M398-L402 HydrophobicContact CE-CG 4.1Å; M398-L402 WeakPolarHBondContact O-CB 3.45Å; M398-L402 WeakPolarHBondContact O-CG 3.19Å; M398-L402 PolarHBondContact O-N 2.89Å; I400-L402 VanDerWaalsContact C-N 3.3Å; I400-L402 PolarHBondContact O-N 3.27Å; L402-K406 WeakPolarHBondContact O-CB 3.28Å; L402-K406 PolarHBondContact O-N 2.75Å
403S81.3Confident77Confident50 Ų5064.7 Ų64.735%0.3532%0.319SS..Hα-helixtrans-62.8-48.6173.2-168.20000111.1K399 I400 K406 S407K399-S403 PolarHBondContact O-N 2.82Å; I400-S403 WeakPolarHBondContact O-CB 3.39Å; I400-S403 PolarHBondContact O-N 2.76Å; I400-S403 VanDerWaalsContact O-N 3.15Å; S403-K406 PolarHBondContact O-N 2.7Å; S403-S407 PolarHBondContact O-N 3.4Å
404N83.4Confident77.6Confident0 Ų060.7 Ų60.70%030%0.303CS..Hα-helixtrans-67.8-39.9179.1-83.4-16.6000112.8L194 I400 F401 K406 S407 Y408 L414 T415 V416L194-N404 HydrophobicContact CD2-CB 4.42Å; I400-N404 WeakPolarHBondContact O-CB 3.41Å; I400-N404 PolarHBondContact O-N 2.85Å; F401-N404 PolarHBondContact O-N 3.41Å; N404-K406 VanDerWaalsContact C-N 3.33Å; N404-K406 PolarHBondContact O-N 2.98Å; N404-S407 PolarHBondContact O-N 3.07Å; N404-S407 PolarHBondContact O-OG 3.25Å; N404-S407 VanDerWaalsContact O-OG 3.12Å; N404-Y408 WeakPolarHBondContact O-CB 3.19Å; N404-Y408 PolarHBondContact O-N 3.02Å; N404-L414 HydrophobicContact CB-CD2 3.83Å; N404-T415 PolarHBondContact OD1-N 2.8Å; N404-V416 PolarHBondContact ND2-O 2.8Å; N404-V416 PolarHBondContact OD1-N 2.73Å; N404-V416 PolarHBondContact OD1-O 3.34Å; N404-V416 VanDerWaalsContact OD1-O 3.13Å
405L80.4Confident78.2Confident14 Ų1457.9 Ų57.97%0.07330%0.296CS..Hα-helixtrans-60.5-45.7174.5-179.964000110.2L17 L35 L194 F401 S407 V409L17-L405 HydrophobicContact CD1-CG 4.37Å; L17-L405 HydrophobicContact CD2-CD2 3.94Å; L35-L405 HydrophobicContact CD2-CD1 3.89Å; L194-L405 HydrophobicContact CD1-CD1 4.2Å; F401-L405 HydrophobicContact CE1-CB 4.46Å; F401-L405 HydrophobicContact CE1-CD2 3.91Å; F401-L405 HydrophobicContact CZ-CD2 4.4Å; F401-L405 WeakPolarHBondContact O-CB 3.37Å; F401-L405 PolarHBondContact O-N 2.89Å; L405-S407 PolarHBondContact O-N 3.44Å; L405-V409 HydrophobicContact CD1-CG2 3.94Å; L405-V409 HydrophobicContact CG-CG2 4.39Å; L405-V409 WeakPolarHBondContact O-CB 3.22Å; L405-V409 WeakPolarHBondContact O-CG2 3.17Å; L405-V409 PolarHBondContact O-N 2.85Å
406K82.3Confident78.4Confident96 Ų9657 Ų5742%0.41729%0.293SS..Hα-helixtrans-60.2-47177.1-173.9-179.2178.5-176.90111.6L17 L402 S403 N404 S410L17-K406 HydrophobicContact CD1-CB 4.35Å; L402-K406 WeakPolarHBondContact O-CB 3.28Å; L402-K406 PolarHBondContact O-N 2.75Å; S403-K406 PolarHBondContact O-N 2.7Å; N404-K406 VanDerWaalsContact C-N 3.33Å; N404-K406 PolarHBondContact O-N 2.98Å; K406-S410 PolarHBondContact O-N 2.92Å; K406-S410 PolarHBondContact O-OG 3.2Å
407S82.7Confident78.5Confident9 Ų954.9 Ų54.96%0.06329%0.285CS..Hα-helixtrans-67.9-47.7179.768.80000112.1S403 N404 L405 V409 S410 S411 E413 T415S403-S407 PolarHBondContact O-N 3.4Å; N404-S407 PolarHBondContact O-N 3.07Å; N404-S407 PolarHBondContact O-OG 3.25Å; N404-S407 VanDerWaalsContact O-OG 3.12Å; L405-S407 PolarHBondContact O-N 3.44Å; S407-V409 VanDerWaalsContact C-N 3.27Å; S407-V409 PolarHBondContact O-N 2.77Å; S407-S410 PolarHBondContact O-N 3.01Å; S407-S410 PolarHBondContact O-OG 3.19Å; S407-S411 PolarHBondContact O-N 3.32Å; S407-S411 PolarHBondContact O-OG 2.99Å; S407-S411 VanDerWaalsContact O-OG 3.07Å; S407-E413 CarbonylContact C-O 3.56Å; S407-E413 VanDerWaalsContact C-O 3.3Å; S407-E413 WeakPolarHBondContact CB-O 3.44Å; S407-E413 PolarHBondContact OG-O 3.26Å; S407-T415 WeakPolarHBondContact CB-OG1 3.44Å; S407-T415 PolarHBondContact OG-N 2.65Å; S407-T415 VanDerWaalsContact OG-N 3.09Å; S407-T415 PolarHBondContact OG-OG1 3.27Å; S407-T415 VanDerWaalsContact OG-OG1 3.1Å
408Y80Confident78.6Confident44 Ų4459.4 Ų59.417%0.17331%0.307CS..Hα-helixtrans-61.3-37.1-176.4-168.6-95.5000112L35 L39 L190 N404 S410 K412 E413 L414L35-Y408 HydrophobicContact CD2-CD1 4.31Å; L39-Y408 HydrophobicContact CD1-CE1 3.73Å; L39-Y408 HydrophobicContact CD2-CE1 3.92Å; L39-Y408 HydrophobicContact CG-CE1 4.45Å; L190-Y408 HydrophobicContact CD1-CD1 3.94Å; L190-Y408 HydrophobicContact CD1-CE1 3.66Å; N404-Y408 WeakPolarHBondContact O-CB 3.19Å; N404-Y408 PolarHBondContact O-N 3.02Å; Y408-S410 VanDerWaalsContact C-N 3.35Å; Y408-K412 WeakPolarHBondContact CE2-O 3.31Å; Y408-K412 WeakPolarHBondContact O-CA 3.34Å; Y408-K412 PolarHBondContact O-N 3.18Å; Y408-E413 VanDerWaalsContact CA-O 3.31Å; Y408-E413 WeakPolarHBondContact CA-O 3.49Å; Y408-E413 PolarHBondContact N-O 2.84Å; Y408-E413 VanDerWaalsContact N-O 3.11Å; Y408-L414 HydrophobicContact CD2-CD2 3.79Å; Y408-L414 HydrophobicContact CD2-CG 4.21Å; Y408-L414 HydrophobicContact CG-CD2 4.24Å
409V79.2Confident78.4Confident27 Ų2759.5 Ų59.516%0.16431%0.31CS..Hα-helixtrans-69.2-36175.7-176.50000111.8F14 L35 L405 S407F14-V409 HydrophobicContact CD1-CB 4.07Å; F14-V409 HydrophobicContact CD1-CG1 3.29Å; F14-V409 HydrophobicContact CE1-CB 4.14Å; F14-V409 HydrophobicContact CE1-CG1 2.93Å; F14-V409 HydrophobicContact CE2-CG1 4.38Å; F14-V409 HydrophobicContact CG-CG1 4.21Å; F14-V409 HydrophobicContact CZ-CG1 3.52Å; L35-V409 HydrophobicContact CD1-CB 4.32Å; L35-V409 HydrophobicContact CD1-CG1 3.98Å; L35-V409 HydrophobicContact CD1-CG2 3.75Å; L35-V409 HydrophobicContact CD2-CG2 3.44Å; L35-V409 VanDerWaalsContact CD2-CG2 3.44Å; L35-V409 HydrophobicContact CG-CG2 4.23Å; L405-V409 HydrophobicContact CD1-CG2 3.94Å; L405-V409 HydrophobicContact CG-CG2 4.39Å; L405-V409 WeakPolarHBondContact O-CB 3.22Å; L405-V409 WeakPolarHBondContact O-CG2 3.17Å; L405-V409 PolarHBondContact O-N 2.85Å; S407-V409 VanDerWaalsContact C-N 3.27Å; S407-V409 PolarHBondContact O-N 2.77Å
410S80.8Confident77.8Confident85 Ų8556.4 Ų56.459%0.59430%0.298SS*.Hα-helixtrans-79.9-41.9-178.266.20000114.5K406 S407 Y408K406-S410 PolarHBondContact O-N 2.92Å; K406-S410 PolarHBondContact O-OG 3.2Å; S407-S410 PolarHBondContact O-N 3.01Å; S407-S410 PolarHBondContact O-OG 3.19Å; Y408-S410 VanDerWaalsContact C-N 3.35Å
411S81.5Confident77.1Confident57 Ų5759.8 Ų59.840%0.39932%0.32SS..Hα-helixtrans-122.9-6.3-171.165.30000113.8S407 E413S407-S411 PolarHBondContact O-N 3.32Å; S407-S411 PolarHBondContact O-OG 2.99Å; S407-S411 VanDerWaalsContact O-OG 3.07Å; S411-E413 PolarHBondContact O-N 3.06Å; S411-E413 PolarHBondContact OG-N 2.99Å
412K78.4Confident76.3Confident136 Ų13669 Ų6959%0.59136%0.36SS*.SBendtrans62.816.9-169-56.1-179.1174.6-179.30114.3Y408Y408-K412 WeakPolarHBondContact CE2-O 3.31Å; Y408-K412 WeakPolarHBondContact O-CA 3.34Å; Y408-K412 PolarHBondContact O-N 3.18Å
413E79.9Confident75.4Confident122 Ų12274.6 Ų74.657%0.5738%0.379SS*.SBendtrans-119.3149.2179-62.6178.8162.400111.5S407 Y408 S411S407-E413 CarbonylContact C-O 3.56Å; S407-E413 VanDerWaalsContact C-O 3.3Å; S407-E413 WeakPolarHBondContact CB-O 3.44Å; S407-E413 PolarHBondContact OG-O 3.26Å; Y408-E413 VanDerWaalsContact CA-O 3.31Å; Y408-E413 WeakPolarHBondContact CA-O 3.49Å; Y408-E413 PolarHBondContact N-O 2.84Å; Y408-E413 VanDerWaalsContact N-O 3.11Å; S411-E413 PolarHBondContact O-N 3.06Å; S411-E413 PolarHBondContact OG-N 2.99Å
414L78.9Confident74Confident18 Ų1874 Ų749%0.09438%0.381CS..  trans-91.6119.8175-59.1174.6000108.3T193 L194 A197 N404 Y408 V416 Q418T193-L414 HydrophobicContact CG2-CD1 3.96Å; L194-L414 HydrophobicContact CD2-CD2 4.28Å; A197-L414 HydrophobicContact CB-CD1 4Å; N404-L414 HydrophobicContact CB-CD2 3.83Å; Y408-L414 HydrophobicContact CD2-CD2 3.79Å; Y408-L414 HydrophobicContact CD2-CG 4.21Å; Y408-L414 HydrophobicContact CG-CD2 4.24Å; L414-V416 VanDerWaalsContact C-N 3.32Å; L414-Q418 HydrophobicContact CB-CB 3.91Å; L414-Q418 HydrophobicContact CB-CG 4.16Å; L414-Q418 HydrophobicContact CD1-CG 4.27Å; L414-Q418 PolarHBondContact O-OE1 2.87Å
415T79.2Confident72.5Confident93 Ų9380.1 Ų80.157%0.57141%0.405SS*.SBendtrans-77.4-20.6-178.440.70000113.3N404 S407N404-T415 PolarHBondContact OD1-N 2.8Å; S407-T415 WeakPolarHBondContact CB-OG1 3.44Å; S407-T415 PolarHBondContact OG-N 2.65Å; S407-T415 VanDerWaalsContact OG-N 3.09Å; S407-T415 PolarHBondContact OG-OG1 3.27Å; S407-T415 VanDerWaalsContact OG-OG1 3.1Å
416V75.5Confident72.1Confident47 Ų4783.5 Ų83.529%0.28542%0.422SS..SBendtrans-132.1120.3-171.4179.50000108.8I400 N404 L414 Q418I400-V416 HydrophobicContact CG2-CB 4.4Å; I400-V416 HydrophobicContact CG2-CG1 3.87Å; N404-V416 PolarHBondContact ND2-O 2.8Å; N404-V416 PolarHBondContact OD1-N 2.73Å; N404-V416 PolarHBondContact OD1-O 3.34Å; N404-V416 VanDerWaalsContact OD1-O 3.13Å; L414-V416 VanDerWaalsContact C-N 3.32Å; V416-Q418 PolarHBondContact O-N 2.81Å
417N72.4Confident71.6Confident40 Ų4082.8 Ų82.821%0.21442%0.422CS..SBendtrans5349.4175.9-52.1-55.3000113.4G201 V419G201-N417 VanDerWaalsContact CA-CG 3.43Å; G201-N417 WeakPolarHBondContact CA-ND2 3.15Å; N417-V419 PolarHBondContact O-N 3.46Å
418Q70.1Confident71Confident126 Ų12686.9 Ų86.959%0.58944%0.442SS*.  trans-63.7130.1169.2-174.1165.2-18.500109.6L414 V416L414-Q418 HydrophobicContact CB-CB 3.91Å; L414-Q418 HydrophobicContact CB-CG 4.16Å; L414-Q418 HydrophobicContact CD1-CG 4.27Å; L414-Q418 PolarHBondContact O-OE1 2.87Å; V416-Q418 PolarHBondContact O-N 2.81Å
419V66.7Low70.5Confident50 Ų5089.4 Ų89.430%0.30346%0.458SS..  trans-121.9137.5-177.9179.10000110A200 N417 V421 Y425A200-V419 HydrophobicContact CB-CG2 4.13Å; N417-V419 PolarHBondContact O-N 3.46Å; V419-V421 PolarHBondContact O-N 2.96Å; V419-Y425 HydrophobicContact CG1-CG 4.14Å
420E66.5Low69.9Low105 Ų10593.3 Ų93.349%0.49148%0.476SS..  trans-87.291.3171.5-72.1-175.1-142.600110.4K422 R423E420-K422 PolarHBondContact O-N 3.11Å; E420-K422 VanDerWaalsContact O-N 3.08Å; E420-R423 HydrophobicContact CB-CB 4.47Å; E420-R423 HydrophobicContact CB-CG 4.13Å; E420-R423 PolarHBondContact O-N 3.41Å; E420-R423 IonicContact OE1-CZ 3.81Å; E420-R423 IonicContact OE1-NE 2.81Å; E420-R423 IonicContact OE1-NH2 2.61Å; E420-R423 PolarHBondContact OE1-NH2 3.06Å; E420-R423 WeakPolarHBondContact OE2-CD 3.33Å; E420-R423 IonicContact OE2-CZ 2.76Å; E420-R423 VanDerWaalsContact OE2-CZ 3.24Å; E420-R423 IonicContact OE2-NE 3.45Å; E420-R423 PolarHBondContact OE2-NE 2.92Å; E420-R423 IonicContact OE2-NH2 2.87Å; E420-R423 PolarHBondContact OE2-NH2 3.09Å; E420-R423 VanDerWaalsContact OE2-NH2 3.1Å
421V64.6Low69.2Low93 Ų9393.9 Ų93.956%0.56447%0.468SS*.G310 helixtrans-53.5-33.5-179-176.60000112.6V419 R423 G424V419-V421 PolarHBondContact O-N 2.96Å; V421-R423 PolarHBondContact O-N 3.23Å; V421-R423 VanDerWaalsContact O-N 3.16Å; V421-G424 PolarHBondContact O-N 2.87Å
422K58.2Low68.3Low213 Ų21396.5 Ų96.593%0.92647%0.473SS*.G310 helixtrans-62.4-20.8178.3-70.1-170.7178.6-175.90114.2E420 G424E420-K422 PolarHBondContact O-N 3.11Å; E420-K422 VanDerWaalsContact O-N 3.08Å; K422-G424 VanDerWaalsContact C-N 3.33Å
423R61.2Low67.5Low142 Ų14293.5 Ų93.554%0.53646%0.464SS..G310 helixtrans-88.92.6176.7-65.4-173.6-171.6-175.115.4113.1T311 E420 V421 Y425T311-R423 WeakPolarHBondContact CG2-O 3.39Å; E420-R423 HydrophobicContact CB-CB 4.47Å; E420-R423 HydrophobicContact CB-CG 4.13Å; E420-R423 PolarHBondContact O-N 3.41Å; E420-R423 IonicContact OE1-CZ 3.81Å; E420-R423 IonicContact OE1-NE 2.81Å; E420-R423 IonicContact OE1-NH2 2.61Å; E420-R423 PolarHBondContact OE1-NH2 3.06Å; E420-R423 WeakPolarHBondContact OE2-CD 3.33Å; E420-R423 IonicContact OE2-CZ 2.76Å; E420-R423 VanDerWaalsContact OE2-CZ 3.24Å; E420-R423 IonicContact OE2-NE 3.45Å; E420-R423 PolarHBondContact OE2-NE 2.92Å; E420-R423 IonicContact OE2-NH2 2.87Å; E420-R423 PolarHBondContact OE2-NH2 3.09Å; E420-R423 VanDerWaalsContact OE2-NH2 3.1Å; V421-R423 PolarHBondContact O-N 3.23Å; V421-R423 VanDerWaalsContact O-N 3.16Å; R423-Y425 HydrophobicContact CB-CD2 3.51Å; R423-Y425 HydrophobicContact CB-CE2 3.35Å; R423-Y425 HydrophobicContact CG-CE2 4.19Å
424G51.9Low66.5Low38 Ų3891.1 Ų91.139%0.39246%0.455SS..THydrogen-bonded Turntrans86.416.317800000115.4V421 K422V421-G424 PolarHBondContact O-N 2.87Å; K422-G424 VanDerWaalsContact C-N 3.33Å
425Y52.5Low65.4Low128 Ų12897.7 Ų97.750%0.50249%0.488SS..  trans-84.60178.3-65.1-80.4000113.8P309 V419 R423P309-Y425 HydrophobicContact CB-CD1 3.73Å; P309-Y425 HydrophobicContact CB-CE1 4.11Å; P309-Y425 HydrophobicContact CG-CD1 3.66Å; P309-Y425 HydrophobicContact CG-CE1 3.49Å; P309-Y425 VanDerWaalsContact CG-CE1 3.49Å; V419-Y425 HydrophobicContact CG1-CG 4.14Å; R423-Y425 HydrophobicContact CB-CD2 3.51Å; R423-Y425 HydrophobicContact CB-CE2 3.35Å; R423-Y425 HydrophobicContact CG-CE2 4.19Å

Retrieved 425 of 425 residues in 568.7 ms (Link to these results)

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