X6RK58_HUMAN Loading...

Leucine-rich repeat-containing protein 20

AlphaFold DB , UniProt , Accession X6RK58, Species HUMAN (Homo sapiens, Human), Gene LRRC20, Length 174 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
1M53.3Low68.1Low215 Ų215108.7 Ų108.7100%1.05956%0.563SS**  0-50.30-72.3179.8-160.500112.8K3 K4 M5M1-K3 PolarHBondContact O-N 3.4Å; M1-K4 PolarHBondContact O-N 2.67Å; M1-M5 PolarHBondContact O-N 3.38Å; M1-M5 VanDerWaalsContact O-N 3.17Å
2L50.1Low70.1Confident164 Ų164100 Ų10086%0.85952%0.518SS*.Hα-helixtrans-54.7-42.1-178.2-81.9131.5000115.7M5 G6L2-M5 PolarHBondContact O-N 3.17Å; L2-G6 PolarHBondContact O-N 3.38Å
3K55.9Low71.7Confident176 Ų17695.7 Ų95.777%0.76551%0.506SS*.Hα-helixtrans-67.8-40-179.2-147.9176.7-176.7-176.50113.1M1 G6 E7M1-K3 PolarHBondContact O-N 3.4Å; K3-G6 PolarHBondContact O-N 3.26Å; K3-E7 PolarHBondContact O-N 3Å
4K57.6Low73.2Confident155 Ų15599.1 Ų99.167%0.67451%0.509SS*.Hα-helixtrans-67.2-35.3176.3-72.3-173.3176-176.60112.3M1 A8M1-K4 PolarHBondContact O-N 2.67Å; K4-A8 PolarHBondContact O-N 2.95Å
5M59Low74.6Confident137 Ų13796.2 Ų96.268%0.67549%0.491SS*.Hα-helixtrans-66.2-43.6177.2-161.283.2134.900111.6M1 L2 E7 A8 V9M1-M5 PolarHBondContact O-N 3.38Å; M1-M5 VanDerWaalsContact O-N 3.17Å; L2-M5 PolarHBondContact O-N 3.17Å; M5-E7 PolarHBondContact O-N 3.27Å; M5-A8 PolarHBondContact O-N 3.47Å; M5-V9 WeakPolarHBondContact O-CG2 3.36Å; M5-V9 PolarHBondContact O-N 2.91Å; M5-V9 VanDerWaalsContact O-N 3.11Å
6G68Low75.9Confident43 Ų4390.4 Ų90.444%0.44346%0.461SS..Hα-helixtrans-62.8-39.4178.800000113.2L2 K3 A10L2-G6 PolarHBondContact O-N 3.38Å; K3-G6 PolarHBondContact O-N 3.26Å; G6-A10 WeakPolarHBondContact O-CB 3.27Å; G6-A10 PolarHBondContact O-N 3.31Å
7E76.1Confident76.9Confident94 Ų9489.5 Ų89.544%0.43946%0.458SS..Hα-helixtrans-68.7-38.7177.8-69.8171.2-168.100113K3 M5 A10 R11K3-E7 PolarHBondContact O-N 3Å; M5-E7 PolarHBondContact O-N 3.27Å; E7-A10 PolarHBondContact O-N 3.37Å; E7-R11 WeakPolarHBondContact O-CG 3.35Å; E7-R11 PolarHBondContact O-N 3.49Å
8A76.8Confident77.8Confident10 Ų1090.2 Ų90.28%0.08346%0.459CS..Hα-helixtrans-63.1-46.5175.400000111.1K4 M5 A10 R11 V12 C32K4-A8 PolarHBondContact O-N 2.95Å; M5-A8 PolarHBondContact O-N 3.47Å; A8-A10 PolarHBondContact O-N 2.84Å; A8-R11 PolarHBondContact O-N 3.13Å; A8-V12 WeakPolarHBondContact O-CB 3.44Å; A8-V12 WeakPolarHBondContact O-CG2 3.38Å; A8-V12 PolarHBondContact O-N 3.44Å; A8-C32 VanDerWaalsContact CB-O 3.31Å; A8-C32 WeakPolarHBondContact CB-O 2.92Å
9V79.7Confident78.6Confident86 Ų8686 Ų8652%0.52144%0.438SS..Hα-helixtrans-62.3-42.7177.8173.50000111.5M5 V12 A13M5-V9 WeakPolarHBondContact O-CG2 3.36Å; M5-V9 PolarHBondContact O-N 2.91Å; M5-V9 VanDerWaalsContact O-N 3.11Å; V9-V12 PolarHBondContact O-N 3.36Å; V9-A13 WeakPolarHBondContact O-CB 3.3Å; V9-A13 PolarHBondContact O-N 2.96Å
10A84.6Confident79.3Confident52 Ų5284.5 Ų84.543%0.4343%0.433SS..Hα-helixtrans-65.5-40.4178.400000112.8G6 E7 A8 R14G6-A10 WeakPolarHBondContact O-CB 3.27Å; G6-A10 PolarHBondContact O-N 3.31Å; E7-A10 PolarHBondContact O-N 3.37Å; A8-A10 PolarHBondContact O-N 2.84Å; A10-R14 PolarHBondContact O-N 2.88Å; A10-R14 VanDerWaalsContact O-N 3.11Å
11R87.8Confident80Confident64 Ų6488.1 Ų88.124%0.24245%0.448CS..Hα-helixtrans-60.9-49.5174.8-79.2-170.6-65.5-87.3-3.4111.3E7 A8 R14 K15 C32E7-R11 WeakPolarHBondContact O-CG 3.35Å; E7-R11 PolarHBondContact O-N 3.49Å; A8-R11 PolarHBondContact O-N 3.13Å; R11-R14 WeakPolarHBondContact O-CB 3.35Å; R11-R14 PolarHBondContact O-N 3.16Å; R11-K15 PolarHBondContact O-N 3.04Å; R11-C32 PolarHBondContact NH2-O 3.12Å
12V92.7Very high82Confident4 Ų482 Ų822%0.02443%0.426CS..Hα-helixtrans-60.2-48.2179.4168.40000111.2A8 V9 R14 K15 V16 L29 C32 L34 P38 I41A8-V12 WeakPolarHBondContact O-CB 3.44Å; A8-V12 WeakPolarHBondContact O-CG2 3.38Å; A8-V12 PolarHBondContact O-N 3.44Å; V9-V12 PolarHBondContact O-N 3.36Å; V12-R14 VanDerWaalsContact C-N 3.25Å; V12-R14 PolarHBondContact O-N 3.17Å; V12-K15 PolarHBondContact O-N 3.08Å; V12-V16 HydrophobicContact CG1-CG2 4.27Å; V12-V16 WeakPolarHBondContact O-CB 3.42Å; V12-V16 VanDerWaalsContact O-CG2 3.23Å; V12-V16 WeakPolarHBondContact O-CG2 3.5Å; V12-V16 PolarHBondContact O-N 3.36Å; V12-L29 HydrophobicContact CB-CD2 4.33Å; V12-L29 HydrophobicContact CG1-CD2 3.99Å; V12-L29 HydrophobicContact CG2-CD2 4.28Å; V12-C32 HydrophobicContact CG2-CB 3.9Å; V12-L34 HydrophobicContact CG2-CD1 4.41Å; V12-L34 HydrophobicContact CG2-CD2 3.83Å; V12-L34 HydrophobicContact CG2-CG 4.39Å; V12-P38 HydrophobicContact CG1-CG 4.3Å; V12-I41 HydrophobicContact CG1-CD1 3.28Å; V12-I41 HydrophobicContact CG1-CG1 3.9Å
13A91Very high84Confident44 Ų4476.2 Ų76.236%0.36441%0.407SS..Hα-helixtrans-58.4-40.3179.400000111.6V9 N17V9-A13 WeakPolarHBondContact O-CB 3.3Å; V9-A13 PolarHBondContact O-N 2.96Å; A13-N17 WeakPolarHBondContact O-CB 3.16Å; A13-N17 PolarHBondContact O-N 3.12Å; A13-N17 PolarHBondContact O-ND2 2.76Å; A13-N17 PolarHBondContact O-OD1 2.92Å
14R92.5Very high85.9Confident144 Ų14469.5 Ų69.554%0.54338%0.382SS..Hα-helixtrans-63.7-53.7176.6-165.1-166.7-53135.15.5112A10 R11 V12 V16 N17 E18A10-R14 PolarHBondContact O-N 2.88Å; A10-R14 VanDerWaalsContact O-N 3.11Å; R11-R14 WeakPolarHBondContact O-CB 3.35Å; R11-R14 PolarHBondContact O-N 3.16Å; V12-R14 VanDerWaalsContact C-N 3.25Å; V12-R14 PolarHBondContact O-N 3.17Å; R14-V16 VanDerWaalsContact C-N 3.27Å; R14-V16 PolarHBondContact O-N 3.17Å; R14-N17 PolarHBondContact O-N 2.8Å; R14-N17 VanDerWaalsContact O-N 3.12Å; R14-E18 WeakPolarHBondContact CD-OE1 3.42Å; R14-E18 VanDerWaalsContact CG-OE1 3.3Å; R14-E18 WeakPolarHBondContact CG-OE1 3.42Å; R14-E18 WeakPolarHBondContact O-CG 3.37Å; R14-E18 PolarHBondContact O-N 3.31Å
15K94.4Very high87.8Confident55 Ų5565.7 Ų65.724%0.23937%0.369CS..Hα-helixtrans-58.9-39.2179.9-67.4-163.6177.7-172.10112.1R11 V12 T19 D28 L29 A30R11-K15 PolarHBondContact O-N 3.04Å; V12-K15 PolarHBondContact O-N 3.08Å; K15-T19 PolarHBondContact O-N 3.31Å; K15-T19 PolarHBondContact O-OG1 2.91Å; K15-D28 WeakPolarHBondContact CD-O 3.44Å; K15-D28 IonicContact NZ-OD1 3.76Å; K15-D28 PolarHBondContact NZ-OD1 3.46Å; K15-D28 IonicContact NZ-OD2 2.74Å; K15-L29 HydrophobicContact CB-CD2 4.19Å; K15-A30 PolarHBondContact NZ-O 3.43Å; K15-A30 VanDerWaalsContact NZ-O 3.12Å
16V94.1Very high89.7Confident3 Ų361.3 Ų61.32%0.01835%0.35CS..Hα-helixtrans-64.8-46.2175.7169.20000111.3V12 R14 T19 V20 L27 L29 I41 V44 L45V12-V16 HydrophobicContact CG1-CG2 4.27Å; V12-V16 WeakPolarHBondContact O-CB 3.42Å; V12-V16 VanDerWaalsContact O-CG2 3.23Å; V12-V16 WeakPolarHBondContact O-CG2 3.5Å; V12-V16 PolarHBondContact O-N 3.36Å; R14-V16 VanDerWaalsContact C-N 3.27Å; R14-V16 PolarHBondContact O-N 3.17Å; V16-T19 WeakPolarHBondContact O-CB 3.35Å; V16-T19 PolarHBondContact O-N 3.27Å; V16-V20 WeakPolarHBondContact O-CG2 2.98Å; V16-V20 PolarHBondContact O-N 3.44Å; V16-L27 HydrophobicContact CG2-CD1 3.94Å; V16-L29 HydrophobicContact CG2-CD2 4.24Å; V16-I41 HydrophobicContact CG1-CG2 4.39Å; V16-I41 HydrophobicContact CG2-CD1 4.17Å; V16-I41 HydrophobicContact CG2-CG1 4.19Å; V16-I41 HydrophobicContact CG2-CG2 3.94Å; V16-V44 HydrophobicContact CG1-CB 3.98Å; V16-V44 HydrophobicContact CG1-CG1 3.53Å; V16-L45 HydrophobicContact CG1-CD2 3.83Å; V16-L45 HydrophobicContact CG1-CG 4.07Å
17N93Very high91.1Very high75 Ų7559.3 Ų59.340%0.40133%0.329SS..Hα-helixtrans-63.6-43.1178.3-71.4-11000111.4A13 R14 T19 V20 E21A13-N17 WeakPolarHBondContact O-CB 3.16Å; A13-N17 PolarHBondContact O-N 3.12Å; A13-N17 PolarHBondContact O-ND2 2.76Å; A13-N17 PolarHBondContact O-OD1 2.92Å; R14-N17 PolarHBondContact O-N 2.8Å; R14-N17 VanDerWaalsContact O-N 3.12Å; N17-T19 VanDerWaalsContact C-N 3.29Å; N17-T19 PolarHBondContact O-N 3.11Å; N17-V20 PolarHBondContact O-N 2.9Å; N17-V20 VanDerWaalsContact O-N 3.13Å; N17-E21 WeakPolarHBondContact O-CB 3.38Å; N17-E21 WeakPolarHBondContact O-CG 3.42Å; N17-E21 PolarHBondContact O-N 3.03Å
18E93.1Very high92.1Very high102 Ų10258.1 Ų58.148%0.47733%0.326SS..Hα-helixtrans-58.3-41.6175.1-72165.8-175.800111.5R14 V20 E21 S22R14-E18 WeakPolarHBondContact CD-OE1 3.42Å; R14-E18 VanDerWaalsContact CG-OE1 3.3Å; R14-E18 WeakPolarHBondContact CG-OE1 3.42Å; R14-E18 WeakPolarHBondContact O-CG 3.37Å; R14-E18 PolarHBondContact O-N 3.31Å; E18-V20 PolarHBondContact O-N 3.04Å; E18-E21 PolarHBondContact O-N 3.47Å; E18-S22 VanDerWaalsContact O-CB 3.27Å; E18-S22 WeakPolarHBondContact O-CB 3.42Å; E18-S22 PolarHBondContact O-N 2.98Å; E18-S22 PolarHBondContact O-OG 3.35Å
19T94.1Very high93Very high11 Ų1157.7 Ų57.77%0.06732%0.322CS..Hα-helixtrans-61.2-44.2175.4-57.10000111.4K15 V16 N17 S22 G23 S24 T26 L27K15-T19 PolarHBondContact O-N 3.31Å; K15-T19 PolarHBondContact O-OG1 2.91Å; V16-T19 WeakPolarHBondContact O-CB 3.35Å; V16-T19 PolarHBondContact O-N 3.27Å; N17-T19 VanDerWaalsContact C-N 3.29Å; N17-T19 PolarHBondContact O-N 3.11Å; T19-S22 PolarHBondContact O-OG 3.46Å; T19-G23 PolarHBondContact O-N 3.38Å; T19-S24 PolarHBondContact O-N 3Å; T19-T26 WeakPolarHBondContact CG2-O 3.39Å; T19-L27 HydrophobicContact CG2-CB 4.39Å
20V93.1Very high93.9Very high55 Ų5554.2 Ų54.233%0.33330%0.303SS..Hα-helixtrans-67.2-45.1179.2173.70000111.4V16 N17 E18 G23 V44 L45 V48V16-V20 WeakPolarHBondContact O-CG2 2.98Å; V16-V20 PolarHBondContact O-N 3.44Å; N17-V20 PolarHBondContact O-N 2.9Å; N17-V20 VanDerWaalsContact O-N 3.13Å; E18-V20 PolarHBondContact O-N 3.04Å; V20-G23 PolarHBondContact O-N 3.02Å; V20-V44 HydrophobicContact CG2-CG1 4.38Å; V20-L45 HydrophobicContact CG2-CD2 3.81Å; V20-V48 HydrophobicContact CG2-CG2 3.95Å
21E93.8Very high94.4Very high162 Ų16258.3 Ų58.376%0.75731%0.313SS*.Hα-helixtrans-68.7-39-177.5-73.3173-169.300112.3N17 E18 G23N17-E21 WeakPolarHBondContact O-CB 3.38Å; N17-E21 WeakPolarHBondContact O-CG 3.42Å; N17-E21 PolarHBondContact O-N 3.03Å; E18-E21 PolarHBondContact O-N 3.47Å; E21-G23 VanDerWaalsContact C-N 3.3Å
22S94.3Very high94.7Very high85 Ų8555.2 Ų55.259%0.59430%0.301SS*.Hα-helixtrans-77.1-15.5177.659.40000113.6E18 T19 S24E18-S22 VanDerWaalsContact O-CB 3.27Å; E18-S22 WeakPolarHBondContact O-CB 3.42Å; E18-S22 PolarHBondContact O-N 2.98Å; E18-S22 PolarHBondContact O-OG 3.35Å; T19-S22 PolarHBondContact O-OG 3.46Å; S22-S24 PolarHBondContact O-N 3.38Å; S22-S24 WeakPolarHBondContact OG-CB 3.34Å; S22-S24 PolarHBondContact OG-N 3.24Å
23G92.9Very high94.7Very high44 Ų4460.7 Ų60.745%0.45433%0.325SS..THydrogen-bonded Turntrans65.423.8-171.300000113T19 V20 E21 Q51T19-G23 PolarHBondContact O-N 3.38Å; V20-G23 PolarHBondContact O-N 3.02Å; E21-G23 VanDerWaalsContact C-N 3.3Å; G23-Q51 PolarHBondContact O-NE2 3.48Å
24S95.8Very high94.8Very high35 Ų3559.1 Ų59.125%0.24531%0.31CS..  trans-59.5144.7179.3175.60000111.5T19 S22 T26 Q51T19-S24 PolarHBondContact O-N 3Å; S22-S24 PolarHBondContact O-N 3.38Å; S22-S24 WeakPolarHBondContact OG-CB 3.34Å; S22-S24 PolarHBondContact OG-N 3.24Å; S24-T26 VanDerWaalsContact C-N 3.27Å; S24-T26 PolarHBondContact OG-N 3.3Å; S24-T26 PolarHBondContact OG-O 3.36Å; S24-Q51 PolarHBondContact O-NE2 3.11Å; S24-Q51 VanDerWaalsContact O-NE2 3.16Å
25D97.1Very high94.9Very high74 Ų7456.1 Ų56.140%0.39631%0.307SS..SBendtrans-88.2-1.1168.670.8-12.4000112.6Q51 I52 H53 L54D25-Q51 WeakPolarHBondContact CA-O 3.31Å; D25-Q51 WeakPolarHBondContact CB-O 3.41Å; D25-I52 CarbonylContact O-C 3.58Å; D25-I52 VanDerWaalsContact O-CA 3.31Å; D25-I52 WeakPolarHBondContact O-CA 3.38Å; D25-H53 HydrophobicContact CB-CB 4.48Å; D25-H53 PolarHBondContact O-N 2.8Å; D25-H53 IonicContact OD2-ND1 2.93Å; D25-H53 PolarHBondContact OD2-ND1 3.45Å; D25-L54 PolarHBondContact O-N 2.89Å; D25-L54 VanDerWaalsContact O-N 3.1Å
26T97.9Very high94.8Very high46 Ų4657 Ų5728%0.28232%0.321SS..EExtended strand (participates in β ladder)trans-113.2124.9-178.6-65.10000110.1T19 S24 L54T19-T26 WeakPolarHBondContact CG2-O 3.39Å; S24-T26 VanDerWaalsContact C-N 3.27Å; S24-T26 PolarHBondContact OG-N 3.3Å; S24-T26 PolarHBondContact OG-O 3.36Å; T26-L54 WeakPolarHBondContact CA-O 3.49Å; T26-L54 HydrophobicContact CG2-CB 4.35Å; T26-L54 HydrophobicContact CG2-CD2 3.68Å; T26-L54 HydrophobicContact CG2-CG 4.49Å
27L97.4Very high94.8Very high0 Ų057.5 Ų57.50%032%0.322CS..EExtended strand (participates in β ladder)trans-109.4103.8170.4170.168.1000109.4V16 T19 L29 L45 I52 L54 I55 T56 F73V16-L27 HydrophobicContact CG2-CD1 3.94Å; T19-L27 HydrophobicContact CG2-CB 4.39Å; L27-L29 HydrophobicContact CD1-CD1 4.2Å; L27-L29 HydrophobicContact CD1-CD2 4.23Å; L27-L29 HydrophobicContact CD1-CG 3.95Å; L27-L29 HydrophobicContact CD2-CD1 3.98Å; L27-L29 HydrophobicContact CD2-CG 4.47Å; L27-L29 HydrophobicContact CG-CD1 4.07Å; L27-L29 HydrophobicContact CG-CG 4.01Å; L27-L45 HydrophobicContact CD2-CD1 3.59Å; L27-I52 HydrophobicContact CB-CD1 4.26Å; L27-I52 HydrophobicContact CB-CG2 4.3Å; L27-I52 HydrophobicContact CD2-CD1 4.47Å; L27-L54 PolarHBondContact N-O 3.02Å; L27-I55 HydrophobicContact CB-CG1 4.03Å; L27-I55 HydrophobicContact CD2-CD1 4.22Å; L27-I55 HydrophobicContact CD2-CG1 4.17Å; L27-I55 HydrophobicContact CG-CG1 4.48Å; L27-I55 WeakPolarHBondContact O-CA 3.29Å; L27-T56 PolarHBondContact O-N 2.91Å; L27-T56 VanDerWaalsContact O-N 3.09Å; L27-F73 HydrophobicContact CD2-CZ 4.44Å
28D97.5Very high94.7Very high70 Ų7055.5 Ų55.537%0.37431%0.314SS..EExtended strand (participates in β ladder)trans-87.6117.8173.3178.2-24.9000110K15 A30 T56K15-D28 WeakPolarHBondContact CD-O 3.44Å; K15-D28 IonicContact NZ-OD1 3.76Å; K15-D28 PolarHBondContact NZ-OD1 3.46Å; K15-D28 IonicContact NZ-OD2 2.74Å; D28-A30 PolarHBondContact OD1-N 3.2Å; D28-T56 HydrophobicContact CB-CG2 3.84Å
29L96.8Very high94.5Very high0 Ų057 Ų570%032%0.323CS..  trans-12926.2170.5-65.5177.2000111.3V12 K15 V16 L27 C32 L34 F37 I41 T56 L57 N60V12-L29 HydrophobicContact CB-CD2 4.33Å; V12-L29 HydrophobicContact CG1-CD2 3.99Å; V12-L29 HydrophobicContact CG2-CD2 4.28Å; K15-L29 HydrophobicContact CB-CD2 4.19Å; V16-L29 HydrophobicContact CG2-CD2 4.24Å; L27-L29 HydrophobicContact CD1-CD1 4.2Å; L27-L29 HydrophobicContact CD1-CD2 4.23Å; L27-L29 HydrophobicContact CD1-CG 3.95Å; L27-L29 HydrophobicContact CD2-CD1 3.98Å; L27-L29 HydrophobicContact CD2-CG 4.47Å; L27-L29 HydrophobicContact CG-CD1 4.07Å; L27-L29 HydrophobicContact CG-CG 4.01Å; L29-C32 PolarHBondContact O-SG 3.31Å; L29-L34 HydrophobicContact CB-CD1 4.32Å; L29-F37 HydrophobicContact CD1-CE2 3.82Å; L29-F37 HydrophobicContact CD1-CZ 4.49Å; L29-I41 HydrophobicContact CD1-CD1 4.02Å; L29-T56 CarbonylContact C-O 3.58Å; L29-T56 WeakPolarHBondContact CA-O 3.43Å; L29-T56 PolarHBondContact N-O 3Å; L29-L57 HydrophobicContact CB-CD2 3.68Å; L29-L57 HydrophobicContact CD1-CD2 4.09Å; L29-N60 PolarHBondContact O-ND2 3.47Å
30A97.3Very high94.3Very high14 Ų1459 Ų5912%0.11635%0.346CS..THydrogen-bonded Turntrans-64.3149.4175.700000111K15 D28 C32 T56 A58K15-A30 PolarHBondContact NZ-O 3.43Å; K15-A30 VanDerWaalsContact NZ-O 3.12Å; D28-A30 PolarHBondContact OD1-N 3.2Å; A30-C32 PolarHBondContact O-N 3.36Å; A30-C32 VanDerWaalsContact O-N 3.08Å; A30-C32 PolarHBondContact O-SG 3.11Å; A30-C32 VanDerWaalsContact O-SG 3.36Å; A30-T56 HydrophobicContact CB-CG2 4.2Å; A30-T56 PolarHBondContact N-O 3.49Å; A30-A58 CarbonylContact C-O 3.48Å; A30-A58 VanDerWaalsContact CA-O 3.23Å; A30-A58 WeakPolarHBondContact CA-O 3.16Å; A30-A58 HydrophobicContact CB-CB 4.09Å
31E95.6Very high94.2Very high137 Ų13756.8 Ų56.864%0.6433%0.332SS*.THydrogen-bonded Turntrans5628.4172.9-62.3179.6-144.600114.7A58 N59E31-A58 PolarHBondContact N-O 3.17Å; E31-N59 WeakPolarHBondContact CA-O 3.31Å; E31-N59 HydrophobicContact CG-CB 3.69Å
32C94.4Very high94.1Very high0 Ų049.9 Ų49.90%030%0.3CS..SBendtrans-85.3-9.5-177.4-750000113.5A8 R11 V12 L29 A30 L34 N60A8-C32 VanDerWaalsContact CB-O 3.31Å; A8-C32 WeakPolarHBondContact CB-O 2.92Å; R11-C32 PolarHBondContact NH2-O 3.12Å; V12-C32 HydrophobicContact CG2-CB 3.9Å; L29-C32 PolarHBondContact O-SG 3.31Å; A30-C32 PolarHBondContact O-N 3.36Å; A30-C32 VanDerWaalsContact O-N 3.08Å; A30-C32 PolarHBondContact O-SG 3.11Å; A30-C32 VanDerWaalsContact O-SG 3.36Å; C32-L34 VanDerWaalsContact C-N 3.35Å; C32-L34 HydrophobicContact CB-CD1 4.06Å; C32-L34 HydrophobicContact CB-CD2 4.46Å; C32-L34 HydrophobicContact CB-CG 3.76Å; C32-N60 WeakPolarHBondContact CA-OD1 3.34Å; C32-N60 PolarHBondContact N-OD1 3.35Å
33K93.6Very high94Very high119 Ų11953.8 Ų53.852%0.51731%0.306SS..  trans6438.8-171.9-50.7178-177.7177.40111.9N60K33-N60 PolarHBondContact N-OD1 3Å
34L92.8Very high93.9Very high10 Ų1055 Ų555%0.05231%0.305CS..  trans-76.2124.6179.6-68.4173.7000110.6V12 L29 C32 P38 L57 N60 E61 L62V12-L34 HydrophobicContact CG2-CD1 4.41Å; V12-L34 HydrophobicContact CG2-CD2 3.83Å; V12-L34 HydrophobicContact CG2-CG 4.39Å; L29-L34 HydrophobicContact CB-CD1 4.32Å; C32-L34 VanDerWaalsContact C-N 3.35Å; C32-L34 HydrophobicContact CB-CD1 4.06Å; C32-L34 HydrophobicContact CB-CD2 4.46Å; C32-L34 HydrophobicContact CB-CG 3.76Å; L34-P38 HydrophobicContact CD2-CG 3.6Å; L34-L57 HydrophobicContact CD1-CD2 3.85Å; L34-N60 HydrophobicContact CB-CB 4.13Å; L34-N60 WeakPolarHBondContact CB-OD1 3.45Å; L34-N60 PolarHBondContact N-OD1 2.77Å; L34-E61 CarbonylContact O-C 3.41Å; L34-E61 VanDerWaalsContact O-CA 3.29Å; L34-E61 WeakPolarHBondContact O-CA 3.46Å; L34-E61 PolarHBondContact O-N 3.46Å; L34-L62 HydrophobicContact CB-CD2 3.92Å; L34-L62 PolarHBondContact O-N 3.1Å
35V93.7Very high93.8Very high81 Ų8153.4 Ų53.449%0.49129%0.293SS..SBendtrans-87-24.6169.6-175.70000111.3E61V35-E61 HydrophobicContact CG2-CB 4.31Å
36S93.3Very high93.5Very high74 Ų7458.5 Ų58.552%0.51731%0.307SS..SBendtrans-151.9159.7173.762.90000110.4P38S36-P38 VanDerWaalsContact O-CD 3.29Å; S36-P38 WeakPolarHBondContact O-CD 3.3Å
37F93.2Very high93.1Very high13 Ų1363.5 Ų63.56%0.05733%0.332CS..  trans-66.9121.2174.2-168.6-91.6000110.5L29 I39 I41 Y42 L57 F69 F73L29-F37 HydrophobicContact CD1-CE2 3.82Å; L29-F37 HydrophobicContact CD1-CZ 4.49Å; F37-I39 PolarHBondContact O-N 2.8Å; F37-I41 HydrophobicContact CE1-CB 3.94Å; F37-I41 HydrophobicContact CE1-CD1 4.24Å; F37-I41 HydrophobicContact CE1-CG2 4.06Å; F37-I41 HydrophobicContact CE2-CD1 4.34Å; F37-I41 HydrophobicContact CZ-CB 4.13Å; F37-I41 HydrophobicContact CZ-CD1 3.99Å; F37-I41 HydrophobicContact CZ-CG2 3.81Å; F37-Y42 AromaticContact CD1-CE1 3.89Å; F37-Y42 HydrophobicContact CD1-CE1 3.89Å; F37-Y42 HydrophobicContact CD1-CE2 4.04Å; F37-Y42 AromaticContact CD1-CZ 3.51Å; F37-Y42 WeakPolarHBondContact CD1-OH 3.05Å; F37-Y42 HydrophobicContact CE1-CD1 4.15Å; F37-Y42 AromaticContact CE1-CE1 3.66Å; F37-Y42 HydrophobicContact CE1-CE1 3.66Å; F37-Y42 HydrophobicContact CE1-CE2 4.37Å; F37-Y42 AromaticContact CE1-CZ 3.78Å; F37-L57 HydrophobicContact CD2-CD1 4.16Å; F37-L57 HydrophobicContact CD2-CD2 4.13Å; F37-L57 HydrophobicContact CE2-CD2 4.42Å; F37-F69 HydrophobicContact CB-CD2 4.44Å; F37-F69 HydrophobicContact CD1-CD2 4.15Å; F37-F69 AromaticContact CD2-CD2 3.69Å; F37-F69 HydrophobicContact CD2-CD2 3.69Å; F37-F69 AromaticContact CD2-CE2 3.65Å; F37-F69 HydrophobicContact CD2-CE2 3.65Å; F37-F69 HydrophobicContact CE1-CD2 4.31Å; F37-F69 AromaticContact CE2-CD2 3.88Å; F37-F69 HydrophobicContact CE2-CD2 3.88Å; F37-F69 AromaticContact CE2-CE2 3.59Å; F37-F69 HydrophobicContact CE2-CE2 3.59Å; F37-F69 AromaticContact CG-CD2 3.82Å; F37-F69 HydrophobicContact CG-CD2 3.82Å; F37-F69 HydrophobicContact CG-CE2 4.26Å; F37-F69 HydrophobicContact CZ-CD2 4.18Å; F37-F69 HydrophobicContact CZ-CE2 4.16Å; F37-F73 HydrophobicContact CE1-CE2 4.15Å; F37-F73 HydrophobicContact CE1-CZ 4.39Å; F37-F73 HydrophobicContact CE2-CE2 4.37Å; F37-F73 AromaticContact CZ-CE2 3.75Å; F37-F73 HydrophobicContact CZ-CE2 3.75Å; F37-F73 AromaticContact CZ-CZ 3.84Å; F37-F73 HydrophobicContact CZ-CZ 3.84Å
38P91Very high93Very high33 Ų3364.4 Ų64.421%0.21434%0.337CS..  trans-68.5123.8-172.4-22.233.8000113.6V12 L34 S36 G40 I41V12-P38 HydrophobicContact CG1-CG 4.3Å; L34-P38 HydrophobicContact CD2-CG 3.6Å; S36-P38 VanDerWaalsContact O-CD 3.29Å; S36-P38 WeakPolarHBondContact O-CD 3.3Å; P38-G40 PolarHBondContact O-N 2.89Å; P38-G40 VanDerWaalsContact O-N 3.14Å; P38-I41 HydrophobicContact CB-CD1 3.92Å; P38-I41 HydrophobicContact CB-CG1 4.05Å; P38-I41 HydrophobicContact CG-CD1 3.86Å; P38-I41 WeakPolarHBondContact O-CB 3.38Å; P38-I41 PolarHBondContact O-N 3.1Å
39I89.7Confident92.8Very high133 Ų13362 Ų6268%0.68233%0.326SS*.THydrogen-bonded Turntrans-60.9-30.7-174.7-58.5170.4000112.5F37 I41 Y42F37-I39 PolarHBondContact O-N 2.8Å; I39-I41 PolarHBondContact O-N 3.47Å; I39-Y42 HydrophobicContact CB-CD2 4.39Å; I39-Y42 HydrophobicContact CG2-CD2 4.13Å; I39-Y42 WeakPolarHBondContact O-CD2 3.43Å; I39-Y42 PolarHBondContact O-N 2.81Å
40G89.4Confident92.6Very high53 Ų5364.4 Ų64.455%0.54635%0.351SS..THydrogen-bonded Turntrans-60.2-30.3177.700000113.5P38 Y42 K43P38-G40 PolarHBondContact O-N 2.89Å; P38-G40 VanDerWaalsContact O-N 3.14Å; G40-Y42 VanDerWaalsContact C-N 3.28Å; G40-Y42 PolarHBondContact O-N 3.14Å; G40-K43 WeakPolarHBondContact O-CB 3.43Å; G40-K43 PolarHBondContact O-N 3Å; G40-K43 VanDerWaalsContact O-N 3.1Å
41I90.4Very high92.6Very high9 Ų967.2 Ų67.25%0.04636%0.362CS..Hα-helixtrans-63.8-34.7-178.3-61.2174.6000111.2V12 V16 L29 F37 P38 I39 K43 V44 L45V12-I41 HydrophobicContact CG1-CD1 3.28Å; V12-I41 HydrophobicContact CG1-CG1 3.9Å; V16-I41 HydrophobicContact CG1-CG2 4.39Å; V16-I41 HydrophobicContact CG2-CD1 4.17Å; V16-I41 HydrophobicContact CG2-CG1 4.19Å; V16-I41 HydrophobicContact CG2-CG2 3.94Å; L29-I41 HydrophobicContact CD1-CD1 4.02Å; F37-I41 HydrophobicContact CE1-CB 3.94Å; F37-I41 HydrophobicContact CE1-CD1 4.24Å; F37-I41 HydrophobicContact CE1-CG2 4.06Å; F37-I41 HydrophobicContact CE2-CD1 4.34Å; F37-I41 HydrophobicContact CZ-CB 4.13Å; F37-I41 HydrophobicContact CZ-CD1 3.99Å; F37-I41 HydrophobicContact CZ-CG2 3.81Å; P38-I41 HydrophobicContact CB-CD1 3.92Å; P38-I41 HydrophobicContact CB-CG1 4.05Å; P38-I41 HydrophobicContact CG-CD1 3.86Å; P38-I41 WeakPolarHBondContact O-CB 3.38Å; P38-I41 PolarHBondContact O-N 3.1Å; I39-I41 PolarHBondContact O-N 3.47Å; I41-K43 PolarHBondContact O-N 3.1Å; I41-K43 VanDerWaalsContact O-N 3.11Å; I41-V44 PolarHBondContact O-N 3.33Å; I41-L45 HydrophobicContact CG2-CD1 3.34Å; I41-L45 HydrophobicContact CG2-CG 3.73Å; I41-L45 PolarHBondContact O-N 2.96Å
42Y92.9Very high92.7Very high17 Ų1760.7 Ų60.77%0.06733%0.331CS..Hα-helixtrans-57.9-29.5177.4-60.9-60.2000112.8F37 I39 G40 R46 T66 K68 T72 F73F37-Y42 AromaticContact CD1-CE1 3.89Å; F37-Y42 HydrophobicContact CD1-CE1 3.89Å; F37-Y42 HydrophobicContact CD1-CE2 4.04Å; F37-Y42 AromaticContact CD1-CZ 3.51Å; F37-Y42 WeakPolarHBondContact CD1-OH 3.05Å; F37-Y42 HydrophobicContact CE1-CD1 4.15Å; F37-Y42 AromaticContact CE1-CE1 3.66Å; F37-Y42 HydrophobicContact CE1-CE1 3.66Å; F37-Y42 HydrophobicContact CE1-CE2 4.37Å; F37-Y42 AromaticContact CE1-CZ 3.78Å; I39-Y42 HydrophobicContact CB-CD2 4.39Å; I39-Y42 HydrophobicContact CG2-CD2 4.13Å; I39-Y42 WeakPolarHBondContact O-CD2 3.43Å; I39-Y42 PolarHBondContact O-N 2.81Å; G40-Y42 VanDerWaalsContact C-N 3.28Å; G40-Y42 PolarHBondContact O-N 3.14Å; Y42-R46 PolarHBondContact O-N 3.48Å; Y42-T66 PolarHBondContact OH-OG1 3.39Å; Y42-K68 HydrophobicContact CD1-CD 4.5Å; Y42-K68 HydrophobicContact CD1-CG 4.3Å; Y42-K68 HydrophobicContact CD2-CD 3.9Å; Y42-K68 HydrophobicContact CD2-CG 4.46Å; Y42-K68 HydrophobicContact CE1-CD 4.47Å; Y42-K68 HydrophobicContact CE1-CG 4.01Å; Y42-K68 HydrophobicContact CE2-CD 3.88Å; Y42-K68 HydrophobicContact CE2-CG 4.19Å; Y42-K68 HydrophobicContact CG-CD 4.24Å; Y42-T72 HydrophobicContact CD1-CG2 4.1Å; Y42-F73 HydrophobicContact CE1-CE2 4.41Å
43K91.5Very high92.9Very high168 Ų16862.6 Ų62.673%0.7334%0.34SS*.Hα-helixtrans-75-41.5176.6-172.7179178-176.70111G40 I41G40-K43 WeakPolarHBondContact O-CB 3.43Å; G40-K43 PolarHBondContact O-N 3Å; G40-K43 VanDerWaalsContact O-N 3.1Å; I41-K43 PolarHBondContact O-N 3.1Å; I41-K43 VanDerWaalsContact O-N 3.11Å
44V91.9Very high93.1Very high70 Ų7058.7 Ų58.742%0.42432%0.324SS..Hα-helixtrans-69.9-41.2-177.7-174.20000110.9V16 V20 I41 R46V16-V44 HydrophobicContact CG1-CB 3.98Å; V16-V44 HydrophobicContact CG1-CG1 3.53Å; V20-V44 HydrophobicContact CG2-CG1 4.38Å; I41-V44 PolarHBondContact O-N 3.33Å; V44-R46 PolarHBondContact O-N 3.46Å
45L92.3Very high93.4Very high0 Ų058.2 Ų58.20%032%0.322CS..THydrogen-bonded Turntrans-87.32.8-177-64.1-178.9000114.6V16 V20 L27 I41 N47 V48 S49 I52 F73V16-L45 HydrophobicContact CG1-CD2 3.83Å; V16-L45 HydrophobicContact CG1-CG 4.07Å; V20-L45 HydrophobicContact CG2-CD2 3.81Å; L27-L45 HydrophobicContact CD2-CD1 3.59Å; I41-L45 HydrophobicContact CG2-CD1 3.34Å; I41-L45 HydrophobicContact CG2-CG 3.73Å; I41-L45 PolarHBondContact O-N 2.96Å; L45-N47 PolarHBondContact O-N 3.09Å; L45-V48 HydrophobicContact CB-CG2 4.13Å; L45-V48 HydrophobicContact CD2-CG2 3.51Å; L45-V48 HydrophobicContact CG-CG2 4.43Å; L45-V48 CarbonylContact O-C 3.37Å; L45-V48 PolarHBondContact O-N 3.02Å; L45-S49 WeakPolarHBondContact O-CB 3.23Å; L45-S49 PolarHBondContact O-N 3.23Å; L45-I52 HydrophobicContact CD1-CD1 4.03Å; L45-I52 HydrophobicContact CD2-CD1 4.24Å; L45-F73 HydrophobicContact CD1-CE1 3.83Å; L45-F73 HydrophobicContact CD1-CZ 3.85Å
46R90.5Very high93.6Very high182 Ų18255.4 Ų55.469%0.68731%0.305SS*.THydrogen-bonded Turntrans-52.3-36.1-172.8179.4-178.3-67.7-171.6-3.2113.7Y42 V44Y42-R46 PolarHBondContact O-N 3.48Å; V44-R46 PolarHBondContact O-N 3.46Å
47N90.8Very high93.9Very high150 Ų15051.9 Ų51.980%0.80228%0.28SS*.THydrogen-bonded Turntrans-95.7-7-175.1-61.1-20.2000113.4L45L45-N47 PolarHBondContact O-N 3.09Å
48V93.8Very high94.1Very high20 Ų2051.4 Ų51.412%0.12128%0.279CS..THydrogen-bonded Turntrans-123.5-3.6-177.5-59.80000112.6V20 L45 G50 Q51V20-V48 HydrophobicContact CG2-CG2 3.95Å; L45-V48 HydrophobicContact CB-CG2 4.13Å; L45-V48 HydrophobicContact CD2-CG2 3.51Å; L45-V48 HydrophobicContact CG-CG2 4.43Å; L45-V48 CarbonylContact O-C 3.37Å; L45-V48 PolarHBondContact O-N 3.02Å; V48-G50 PolarHBondContact O-N 2.82Å; V48-G50 VanDerWaalsContact O-N 3.14Å; V48-Q51 HydrophobicContact CB-CG 3.97Å; V48-Q51 WeakPolarHBondContact O-CG 3.37Å; V48-Q51 PolarHBondContact O-N 3.32Å; V48-Q51 VanDerWaalsContact O-N 3.1Å
49S93.3Very high94.5Very high20 Ų2053 Ų5314%0.1429%0.285CS..G310 helixtrans-63-25.6-17865.60000113L45 I52 T72L45-S49 WeakPolarHBondContact O-CB 3.23Å; L45-S49 PolarHBondContact O-N 3.23Å; S49-I52 PolarHBondContact O-N 3.4Å; S49-T72 WeakPolarHBondContact CB-O 3.29Å; S49-T72 PolarHBondContact OG-O 3.24Å
50G94.3Very high94.8Very high50 Ų5047 Ų4752%0.51526%0.255SS..G310 helixtrans-75.5-15.9176.800000115.3V48 Q75V48-G50 PolarHBondContact O-N 2.82Å; V48-G50 VanDerWaalsContact O-N 3.14Å; G50-Q75 WeakPolarHBondContact O-CG 3.45Å
51Q95.9Very high95.2Very high73 Ų7348.8 Ų48.834%0.34125%0.249SC..G310 helixtrans-95.6-9.7173.756.6173.57200112.6G23 S24 D25 V48 H53G23-Q51 PolarHBondContact O-NE2 3.48Å; S24-Q51 PolarHBondContact O-NE2 3.11Å; S24-Q51 VanDerWaalsContact O-NE2 3.16Å; D25-Q51 WeakPolarHBondContact CA-O 3.31Å; D25-Q51 WeakPolarHBondContact CB-O 3.41Å; V48-Q51 HydrophobicContact CB-CG 3.97Å; V48-Q51 WeakPolarHBondContact O-CG 3.37Å; V48-Q51 PolarHBondContact O-N 3.32Å; V48-Q51 VanDerWaalsContact O-N 3.1Å; Q51-H53 PolarHBondContact O-N 2.95Å; Q51-H53 PolarHBondContact O-ND1 2.9Å
52I97.8Very high95.5Very high0 Ų048.3 Ų48.30%025%0.247CC..  trans-78.4116.9-179-65.4171.6000109D25 L27 L45 S49 I55 F73 L76D25-I52 CarbonylContact O-C 3.58Å; D25-I52 VanDerWaalsContact O-CA 3.31Å; D25-I52 WeakPolarHBondContact O-CA 3.38Å; L27-I52 HydrophobicContact CB-CD1 4.26Å; L27-I52 HydrophobicContact CB-CG2 4.3Å; L27-I52 HydrophobicContact CD2-CD1 4.47Å; L45-I52 HydrophobicContact CD1-CD1 4.03Å; L45-I52 HydrophobicContact CD2-CD1 4.24Å; S49-I52 PolarHBondContact O-N 3.4Å; I52-I55 HydrophobicContact CG2-CD1 4.04Å; I52-I55 HydrophobicContact CG2-CG1 3.67Å; I52-F73 HydrophobicContact CD1-CD1 4.35Å; I52-F73 HydrophobicContact CD1-CE1 3.97Å; I52-L76 HydrophobicContact CG2-CD2 4.26Å
53H98.5Very high95.7Very high40 Ų4053.5 Ų53.519%0.18527%0.269CS..  trans-107.2-23.6177.7-57.8129.1000112.5D25 Q51 Q75 R77 E78D25-H53 HydrophobicContact CB-CB 4.48Å; D25-H53 PolarHBondContact O-N 2.8Å; D25-H53 IonicContact OD2-ND1 2.93Å; D25-H53 PolarHBondContact OD2-ND1 3.45Å; Q51-H53 PolarHBondContact O-N 2.95Å; Q51-H53 PolarHBondContact O-ND1 2.9Å; H53-Q75 PolarHBondContact CD2-O 3.46Å; H53-R77 HydrophobicContact CB-CB 4.39Å; H53-R77 HydrophobicContact CB-CG 4.1Å; H53-R77 PolarHBondContact NE2-NH2 2.94Å; H53-R77 PolarHBondContact O-N 2.95Å; H53-E78 PolarHBondContact O-N 2.88Å
54L98.7Very high95.9Very high37 Ų3748.1 Ų48.119%0.19425%0.253CS..EExtended strand (participates in β ladder)trans-125.9127.6179.5-167.2155.5000110.3D25 T26 L27 E78D25-L54 PolarHBondContact O-N 2.89Å; D25-L54 VanDerWaalsContact O-N 3.1Å; T26-L54 WeakPolarHBondContact CA-O 3.49Å; T26-L54 HydrophobicContact CG2-CB 4.35Å; T26-L54 HydrophobicContact CG2-CD2 3.68Å; T26-L54 HydrophobicContact CG2-CG 4.49Å; L27-L54 PolarHBondContact N-O 3.02Å; L54-E78 WeakPolarHBondContact CA-O 3.23Å; L54-E78 HydrophobicContact CB-CB 4.33Å; L54-E78 HydrophobicContact CD1-CB 4.01Å; L54-E78 WeakPolarHBondContact CD1-OE2 3.43Å; L54-E78 HydrophobicContact CG-CB 3.85Å
55I98.6Very high96.1Very high0 Ų045.3 Ų45.30%024%0.235CC..EExtended strand (participates in β ladder)trans-122.5129166.4-72.2172.2000109L27 I52 L57 F69 F73 L76 E78 L79 H80L27-I55 HydrophobicContact CB-CG1 4.03Å; L27-I55 HydrophobicContact CD2-CD1 4.22Å; L27-I55 HydrophobicContact CD2-CG1 4.17Å; L27-I55 HydrophobicContact CG-CG1 4.48Å; L27-I55 WeakPolarHBondContact O-CA 3.29Å; I52-I55 HydrophobicContact CG2-CD1 4.04Å; I52-I55 HydrophobicContact CG2-CG1 3.67Å; I55-L57 HydrophobicContact CG2-CD1 4.02Å; I55-L57 HydrophobicContact CG2-CG 3.85Å; I55-F69 HydrophobicContact CD1-CE2 4.14Å; I55-F69 HydrophobicContact CD1-CZ 3.86Å; I55-F69 HydrophobicContact CG2-CZ 4.09Å; I55-F73 HydrophobicContact CD1-CB 3.99Å; I55-F73 HydrophobicContact CD1-CD1 3.64Å; I55-F73 HydrophobicContact CD1-CD2 3.61Å; I55-F73 HydrophobicContact CD1-CE1 3.93Å; I55-F73 HydrophobicContact CD1-CE2 3.92Å; I55-F73 HydrophobicContact CD1-CG 3.47Å; I55-F73 VanDerWaalsContact CD1-CG 3.47Å; I55-F73 HydrophobicContact CD1-CZ 4.07Å; I55-L76 HydrophobicContact CB-CD2 4.04Å; I55-L76 HydrophobicContact CD1-CD1 4.19Å; I55-L76 HydrophobicContact CD1-CD2 3.89Å; I55-L76 HydrophobicContact CD1-CG 4.47Å; I55-L76 HydrophobicContact CG1-CD2 3.75Å; I55-E78 PolarHBondContact N-O 3.11Å; I55-E78 VanDerWaalsContact N-O 3.11Å; I55-L79 HydrophobicContact CB-CD1 4.18Å; I55-L79 HydrophobicContact CG2-CD1 4.21Å; I55-H80 PolarHBondContact O-N 2.89Å
56T98.5Very high96.3Very high21 Ų2148.6 Ų48.613%0.12926%0.256CS..EExtended strand (participates in β ladder)trans-109.7125.7162.7-179.20000111.4L27 D28 L29 A30 A58L27-T56 PolarHBondContact O-N 2.91Å; L27-T56 VanDerWaalsContact O-N 3.09Å; D28-T56 HydrophobicContact CB-CG2 3.84Å; L29-T56 CarbonylContact C-O 3.58Å; L29-T56 WeakPolarHBondContact CA-O 3.43Å; L29-T56 PolarHBondContact N-O 3Å; A30-T56 HydrophobicContact CB-CG2 4.2Å; A30-T56 PolarHBondContact N-O 3.49Å; T56-A58 WeakPolarHBondContact OG1-CB 3.46Å; T56-A58 PolarHBondContact OG1-N 3.46Å
57L98.3Very high96.6Very high0 Ų042 Ų420%024%0.238CC..  trans-120.222.7171.9-74.8165.6000110.1L29 L34 F37 I55 N60 L62 L65 F69 H80 L81 N84L29-L57 HydrophobicContact CB-CD2 3.68Å; L29-L57 HydrophobicContact CD1-CD2 4.09Å; L34-L57 HydrophobicContact CD1-CD2 3.85Å; F37-L57 HydrophobicContact CD2-CD1 4.16Å; F37-L57 HydrophobicContact CD2-CD2 4.13Å; F37-L57 HydrophobicContact CE2-CD2 4.42Å; I55-L57 HydrophobicContact CG2-CD1 4.02Å; I55-L57 HydrophobicContact CG2-CG 3.85Å; L57-N60 VanDerWaalsContact C-ND2 3.35Å; L57-N60 PolarHBondContact O-ND2 3.35Å; L57-L62 HydrophobicContact CB-CD1 3.86Å; L57-L62 HydrophobicContact CD1-CD1 4.07Å; L57-L62 HydrophobicContact CD2-CD1 4.3Å; L57-L62 HydrophobicContact CG-CD1 4.31Å; L57-L65 HydrophobicContact CD1-CD2 4.12Å; L57-F69 HydrophobicContact CD1-CE2 3.79Å; L57-F69 HydrophobicContact CD1-CZ 3.82Å; L57-H80 PolarHBondContact N-O 3.1Å; L57-L81 HydrophobicContact CB-CD2 3.8Å; L57-L81 HydrophobicContact CD1-CD2 3.93Å; L57-N84 PolarHBondContact O-ND2 2.98Å
58A98.5Very high96.8Very high3 Ų340 Ų403%0.02522%0.221CC..  trans-56.2148.9-178.400000113.1A30 E31 T56 N60 E82A30-A58 CarbonylContact C-O 3.48Å; A30-A58 VanDerWaalsContact CA-O 3.23Å; A30-A58 WeakPolarHBondContact CA-O 3.16Å; A30-A58 HydrophobicContact CB-CB 4.09Å; E31-A58 PolarHBondContact N-O 3.17Å; T56-A58 WeakPolarHBondContact OG1-CB 3.46Å; T56-A58 PolarHBondContact OG1-N 3.46Å; A58-N60 VanDerWaalsContact C-N 3.34Å; A58-N60 PolarHBondContact O-N 3.41Å; A58-N60 PolarHBondContact O-ND2 2.93Å; A58-E82 CarbonylContact C-O 3.57Å; A58-E82 VanDerWaalsContact CA-O 3.31Å; A58-E82 WeakPolarHBondContact CA-O 3.33Å; A58-E82 HydrophobicContact CB-CG 4.05Å; A58-E82 WeakPolarHBondContact CB-OE1 3.31Å
59N98.2Very high97Very high67 Ų6739 Ų3936%0.35822%0.216SC..SBendtrans5447.5172-55.2-42.2000112.8E31 E82 G83E31-N59 WeakPolarHBondContact CA-O 3.31Å; E31-N59 HydrophobicContact CG-CB 3.69Å; N59-E82 PolarHBondContact N-O 2.74Å; N59-G83 VanDerWaalsContact CA-O 3.29Å; N59-G83 WeakPolarHBondContact CA-O 3.47Å
60N97.1Very high97.1Very high8 Ų838 Ų384%0.04321%0.209CC..SBendtrans-113.3-166.3173.8-80.6-69.8000109.9L29 C32 K33 L34 L57 A58 L62 G83 N84L29-N60 PolarHBondContact O-ND2 3.47Å; C32-N60 WeakPolarHBondContact CA-OD1 3.34Å; C32-N60 PolarHBondContact N-OD1 3.35Å; K33-N60 PolarHBondContact N-OD1 3Å; L34-N60 HydrophobicContact CB-CB 4.13Å; L34-N60 WeakPolarHBondContact CB-OD1 3.45Å; L34-N60 PolarHBondContact N-OD1 2.77Å; L57-N60 VanDerWaalsContact C-ND2 3.35Å; L57-N60 PolarHBondContact O-ND2 3.35Å; A58-N60 VanDerWaalsContact C-N 3.34Å; A58-N60 PolarHBondContact O-N 3.41Å; A58-N60 PolarHBondContact O-ND2 2.93Å; N60-L62 HydrophobicContact CB-CG 4.07Å; N60-G83 PolarHBondContact N-O 3.02Å; N60-G83 VanDerWaalsContact O-O 3.12Å; N60-N84 WeakPolarHBondContact CA-OD1 3.31Å; N60-N84 WeakPolarHBondContact CB-OD1 3.35Å; N60-N84 PolarHBondContact N-OD1 3Å; N60-N84 PolarHBondContact O-OD1 2.76Å
61E97.1Very high97.2Very high89 Ų8939.4 Ų39.442%0.41621%0.207SC..  trans-11730.4179.4-57.5178.8-156.700110.4L34 V35 K63 N84 F85L34-E61 CarbonylContact O-C 3.41Å; L34-E61 VanDerWaalsContact O-CA 3.29Å; L34-E61 WeakPolarHBondContact O-CA 3.46Å; L34-E61 PolarHBondContact O-N 3.46Å; V35-E61 HydrophobicContact CG2-CB 4.31Å; E61-K63 PolarHBondContact O-N 3.16Å; E61-N84 PolarHBondContact N-OD1 3.47Å; E61-F85 HydrophobicContact CB-CD2 4.08Å; E61-F85 HydrophobicContact CB-CE2 3.85Å; E61-F85 HydrophobicContact CG-CE2 4.02Å
62L97.2Very high97.2Very high0 Ų037.3 Ų37.30%020%0.199CC..  trans-70.1126.9-173.7-61.9174.2000110.6L34 L57 N60 L65 L81 N84 F85 L86L34-L62 HydrophobicContact CB-CD2 3.92Å; L34-L62 PolarHBondContact O-N 3.1Å; L57-L62 HydrophobicContact CB-CD1 3.86Å; L57-L62 HydrophobicContact CD1-CD1 4.07Å; L57-L62 HydrophobicContact CD2-CD1 4.3Å; L57-L62 HydrophobicContact CG-CD1 4.31Å; N60-L62 HydrophobicContact CB-CG 4.07Å; L62-L65 HydrophobicContact CD1-CD2 4.28Å; L62-L81 HydrophobicContact CD1-CD2 4.4Å; L62-N84 HydrophobicContact CB-CB 4.27Å; L62-N84 VanDerWaalsContact CB-OD1 3.24Å; L62-N84 WeakPolarHBondContact CB-OD1 3.35Å; L62-N84 WeakPolarHBondContact CG-OD1 3.44Å; L62-N84 PolarHBondContact N-OD1 3.24Å; L62-F85 CarbonylContact O-C 3.33Å; L62-F85 VanDerWaalsContact O-CA 3.32Å; L62-F85 WeakPolarHBondContact O-CA 3.25Å; L62-F85 PolarHBondContact O-N 2.83Å; L62-L86 HydrophobicContact CB-CD2 4.14Å; L62-L86 PolarHBondContact O-N 3.32Å
63K97.1Very high97.1Very high126 Ų12637.3 Ų37.355%0.54820%0.199SC..  trans-97.9-20.1174.2-63-175.9-179.9-173.60113.5E61 F85 H87E61-K63 PolarHBondContact O-N 3.16Å; K63-F85 WeakPolarHBondContact CA-O 3.22Å; K63-F85 HydrophobicContact CG-CB 4.16Å; K63-H87 PolarHBondContact O-CE1 3.14Å; K63-H87 VanDerWaalsContact O-CE1 3.24Å; K63-H87 PolarHBondContact O-ND1 3.04Å
64S96.1Very high97Very high55 Ų5537.5 Ų37.539%0.38521%0.206SC..  trans-160.7158.5178.161.50000111.4
65L96.4Very high97Very high10 Ų1039 Ų395%0.05221%0.212CC..  trans-111.6152.2162.9-67.9176.4000109.5L57 L62 F69 M70 L81L57-L65 HydrophobicContact CD1-CD2 4.12Å; L62-L65 HydrophobicContact CD1-CD2 4.28Å; L65-F69 HydrophobicContact CD1-CD1 4.11Å; L65-F69 HydrophobicContact CD1-CE1 4.08Å; L65-F69 HydrophobicContact CD2-CD1 4.48Å; L65-F69 HydrophobicContact CD2-CD2 4.42Å; L65-F69 HydrophobicContact CD2-CG 4.34Å; L65-M70 HydrophobicContact CB-CE 4.07Å; L65-M70 HydrophobicContact CD1-CE 3.9Å; L65-L81 HydrophobicContact CD1-CD1 3.71Å; L65-L81 HydrophobicContact CD1-CD2 3.74Å; L65-L81 HydrophobicContact CD1-CG 4.39Å; L65-L81 HydrophobicContact CG-CD2 4.48Å
66T96.1Very high97Very high70 Ų7039 Ų3943%0.42921%0.212SC..  trans-96.4155.1-176.663.50000111.3Y42 K68 F69 M70Y42-T66 PolarHBondContact OH-OG1 3.39Å; T66-K68 PolarHBondContact O-N 2.95Å; T66-F69 VanDerWaalsContact O-CB 3.27Å; T66-F69 WeakPolarHBondContact O-CB 3.47Å; T66-F69 PolarHBondContact O-N 3.3Å; T66-F69 PolarHBondContact OG1-N 2.64Å; T66-M70 PolarHBondContact O-N 2.84Å
67S95.9Very high97Very high44 Ų4443.6 Ų43.631%0.30823%0.227SC..Hα-helixtrans-49.9-38.1168.4171.20000112.6F69 M70 T71 E92S67-F69 VanDerWaalsContact C-N 3.3Å; S67-F69 PolarHBondContact O-N 3.13Å; S67-M70 PolarHBondContact O-N 3.35Å; S67-T71 PolarHBondContact O-N 3.44Å; S67-T71 PolarHBondContact O-OG1 3.02Å; S67-E92 WeakPolarHBondContact CB-OE1 3.17Å; S67-E92 VanDerWaalsContact OG-CG 3.3Å; S67-E92 WeakPolarHBondContact OG-CG 3.3Å; S67-E92 PolarHBondContact OG-OE1 3.25Å
68K96.4Very high97Very high106 Ų10647.5 Ų47.546%0.46125%0.245SC..Hα-helixtrans-61.5-35.7176.5-171.3170.3-177.6178.20113.1Y42 T66 T71 T72Y42-K68 HydrophobicContact CD1-CD 4.5Å; Y42-K68 HydrophobicContact CD1-CG 4.3Å; Y42-K68 HydrophobicContact CD2-CD 3.9Å; Y42-K68 HydrophobicContact CD2-CG 4.46Å; Y42-K68 HydrophobicContact CE1-CD 4.47Å; Y42-K68 HydrophobicContact CE1-CG 4.01Å; Y42-K68 HydrophobicContact CE2-CD 3.88Å; Y42-K68 HydrophobicContact CE2-CG 4.19Å; Y42-K68 HydrophobicContact CG-CD 4.24Å; T66-K68 PolarHBondContact O-N 2.95Å; K68-T71 WeakPolarHBondContact CA-OG1 3.46Å; K68-T71 PolarHBondContact O-OG1 3.06Å; K68-T72 VanDerWaalsContact O-CB 3.24Å; K68-T72 WeakPolarHBondContact O-CB 3.49Å; K68-T72 PolarHBondContact O-N 2.82Å; K68-T72 PolarHBondContact O-OG1 3.18Å
69F96.8Very high97Very high0 Ų047.4 Ų47.40%024%0.244CC..Hα-helixtrans-61.4-52.2175.3179.5-88.1000110.1F37 I55 L57 L65 T66 S67 T71 T72 F73 L76 L79F37-F69 HydrophobicContact CB-CD2 4.44Å; F37-F69 HydrophobicContact CD1-CD2 4.15Å; F37-F69 AromaticContact CD2-CD2 3.69Å; F37-F69 HydrophobicContact CD2-CD2 3.69Å; F37-F69 AromaticContact CD2-CE2 3.65Å; F37-F69 HydrophobicContact CD2-CE2 3.65Å; F37-F69 HydrophobicContact CE1-CD2 4.31Å; F37-F69 AromaticContact CE2-CD2 3.88Å; F37-F69 HydrophobicContact CE2-CD2 3.88Å; F37-F69 AromaticContact CE2-CE2 3.59Å; F37-F69 HydrophobicContact CE2-CE2 3.59Å; F37-F69 AromaticContact CG-CD2 3.82Å; F37-F69 HydrophobicContact CG-CD2 3.82Å; F37-F69 HydrophobicContact CG-CE2 4.26Å; F37-F69 HydrophobicContact CZ-CD2 4.18Å; F37-F69 HydrophobicContact CZ-CE2 4.16Å; I55-F69 HydrophobicContact CD1-CE2 4.14Å; I55-F69 HydrophobicContact CD1-CZ 3.86Å; I55-F69 HydrophobicContact CG2-CZ 4.09Å; L57-F69 HydrophobicContact CD1-CE2 3.79Å; L57-F69 HydrophobicContact CD1-CZ 3.82Å; L65-F69 HydrophobicContact CD1-CD1 4.11Å; L65-F69 HydrophobicContact CD1-CE1 4.08Å; L65-F69 HydrophobicContact CD2-CD1 4.48Å; L65-F69 HydrophobicContact CD2-CD2 4.42Å; L65-F69 HydrophobicContact CD2-CG 4.34Å; T66-F69 VanDerWaalsContact O-CB 3.27Å; T66-F69 WeakPolarHBondContact O-CB 3.47Å; T66-F69 PolarHBondContact O-N 3.3Å; T66-F69 PolarHBondContact OG1-N 2.64Å; S67-F69 VanDerWaalsContact C-N 3.3Å; S67-F69 PolarHBondContact O-N 3.13Å; F69-T71 VanDerWaalsContact C-N 3.35Å; F69-T71 PolarHBondContact O-N 2.82Å; F69-T72 PolarHBondContact O-N 3.27Å; F69-F73 HydrophobicContact CD1-CD2 4.35Å; F69-F73 AromaticContact CD2-CD2 3.7Å; F69-F73 HydrophobicContact CD2-CD2 3.7Å; F69-F73 AromaticContact CD2-CE2 3.58Å; F69-F73 HydrophobicContact CD2-CE2 3.58Å; F69-F73 HydrophobicContact CE1-CD2 4.31Å; F69-F73 AromaticContact CE2-CD2 3.64Å; F69-F73 HydrophobicContact CE2-CD2 3.64Å; F69-F73 AromaticContact CE2-CE2 3.59Å; F69-F73 HydrophobicContact CE2-CE2 3.59Å; F69-F73 HydrophobicContact CG-CD2 4.05Å; F69-F73 HydrophobicContact CG-CE2 4.33Å; F69-F73 AromaticContact CZ-CD2 3.97Å; F69-F73 HydrophobicContact CZ-CD2 3.97Å; F69-F73 HydrophobicContact CZ-CE2 4.35Å; F69-F73 VanDerWaalsContact O-CD2 3.25Å; F69-F73 WeakPolarHBondContact O-CD2 3.36Å; F69-F73 PolarHBondContact O-N 3.2Å; F69-F73 VanDerWaalsContact O-N 3.12Å; F69-L76 HydrophobicContact CE1-CD1 4.36Å; F69-L79 HydrophobicContact CE1-CD1 4.15Å; F69-L79 HydrophobicContact CE1-CD2 4.4Å; F69-L79 HydrophobicContact CZ-CD1 4.11Å
70M96.6Very high97.1Very high0 Ų046.6 Ų46.60%024%0.238CC..Hα-helixtrans-60.7-43.2-178.3-55.4-55-179.900112.4L65 T66 S67 S74 L89 P90 E92 V93 L96L65-M70 HydrophobicContact CB-CE 4.07Å; L65-M70 HydrophobicContact CD1-CE 3.9Å; T66-M70 PolarHBondContact O-N 2.84Å; S67-M70 PolarHBondContact O-N 3.35Å; M70-S74 PolarHBondContact O-N 3.09Å; M70-L89 HydrophobicContact CE-CD2 4.46Å; M70-P90 HydrophobicContact CE-CG 3.51Å; M70-P90 HydrophobicContact CG-CG 3.71Å; M70-P90 HydrophobicContact SD-CG 4.46Å; M70-E92 HydrophobicContact CB-CB 3.92Å; M70-E92 WeakPolarHBondContact CB-O 3.25Å; M70-E92 HydrophobicContact CG-CB 4.29Å; M70-V93 HydrophobicContact CE-CB 4.12Å; M70-V93 HydrophobicContact CE-CG2 4.19Å; M70-V93 HydrophobicContact SD-CB 4.3Å; M70-V93 HydrophobicContact SD-CG2 4.31Å; M70-L96 HydrophobicContact CB-CD2 4.5Å; M70-L96 WeakPolarHBondContact O-CD2 3.29Å; M70-L96 HydrophobicContact SD-CD1 3.84Å; M70-L96 HydrophobicContact SD-CG 4.41Å
71T94.6Very high97.1Very high78 Ų7846.2 Ų46.248%0.47924%0.236SC..Hα-helixtrans-73.7-28.5-179.750.70000113.4S67 K68 F69S67-T71 PolarHBondContact O-N 3.44Å; S67-T71 PolarHBondContact O-OG1 3.02Å; K68-T71 WeakPolarHBondContact CA-OG1 3.46Å; K68-T71 PolarHBondContact O-OG1 3.06Å; F69-T71 VanDerWaalsContact C-N 3.35Å; F69-T71 PolarHBondContact O-N 2.82Å
72T96.1Very high97.2Very high29 Ų2943.4 Ų43.418%0.17822%0.223CC..Hα-helixtrans-73.7-39.7177.3-590000111.7Y42 S49 K68 F69Y42-T72 HydrophobicContact CD1-CG2 4.1Å; S49-T72 WeakPolarHBondContact CB-O 3.29Å; S49-T72 PolarHBondContact OG-O 3.24Å; K68-T72 VanDerWaalsContact O-CB 3.24Å; K68-T72 WeakPolarHBondContact O-CB 3.49Å; K68-T72 PolarHBondContact O-N 2.82Å; K68-T72 PolarHBondContact O-OG1 3.18Å; F69-T72 PolarHBondContact O-N 3.27Å
73F96.8Very high97.3Very high0 Ų044.4 Ų44.40%023%0.233CC..THydrogen-bonded Turntrans-106.847.1-175.8-53.7-68.3000111.1L27 F37 Y42 L45 I52 I55 F69 Q75 L76 L96L27-F73 HydrophobicContact CD2-CZ 4.44Å; F37-F73 HydrophobicContact CE1-CE2 4.15Å; F37-F73 HydrophobicContact CE1-CZ 4.39Å; F37-F73 HydrophobicContact CE2-CE2 4.37Å; F37-F73 AromaticContact CZ-CE2 3.75Å; F37-F73 HydrophobicContact CZ-CE2 3.75Å; F37-F73 AromaticContact CZ-CZ 3.84Å; F37-F73 HydrophobicContact CZ-CZ 3.84Å; Y42-F73 HydrophobicContact CE1-CE2 4.41Å; L45-F73 HydrophobicContact CD1-CE1 3.83Å; L45-F73 HydrophobicContact CD1-CZ 3.85Å; I52-F73 HydrophobicContact CD1-CD1 4.35Å; I52-F73 HydrophobicContact CD1-CE1 3.97Å; I55-F73 HydrophobicContact CD1-CB 3.99Å; I55-F73 HydrophobicContact CD1-CD1 3.64Å; I55-F73 HydrophobicContact CD1-CD2 3.61Å; I55-F73 HydrophobicContact CD1-CE1 3.93Å; I55-F73 HydrophobicContact CD1-CE2 3.92Å; I55-F73 HydrophobicContact CD1-CG 3.47Å; I55-F73 VanDerWaalsContact CD1-CG 3.47Å; I55-F73 HydrophobicContact CD1-CZ 4.07Å; F69-F73 HydrophobicContact CD1-CD2 4.35Å; F69-F73 AromaticContact CD2-CD2 3.7Å; F69-F73 HydrophobicContact CD2-CD2 3.7Å; F69-F73 AromaticContact CD2-CE2 3.58Å; F69-F73 HydrophobicContact CD2-CE2 3.58Å; F69-F73 HydrophobicContact CE1-CD2 4.31Å; F69-F73 AromaticContact CE2-CD2 3.64Å; F69-F73 HydrophobicContact CE2-CD2 3.64Å; F69-F73 AromaticContact CE2-CE2 3.59Å; F69-F73 HydrophobicContact CE2-CE2 3.59Å; F69-F73 HydrophobicContact CG-CD2 4.05Å; F69-F73 HydrophobicContact CG-CE2 4.33Å; F69-F73 AromaticContact CZ-CD2 3.97Å; F69-F73 HydrophobicContact CZ-CD2 3.97Å; F69-F73 HydrophobicContact CZ-CE2 4.35Å; F69-F73 VanDerWaalsContact O-CD2 3.25Å; F69-F73 WeakPolarHBondContact O-CD2 3.36Å; F69-F73 PolarHBondContact O-N 3.2Å; F69-F73 VanDerWaalsContact O-N 3.12Å; F73-Q75 PolarHBondContact O-N 3.06Å; F73-Q75 VanDerWaalsContact O-N 3.16Å; F73-L76 HydrophobicContact CB-CD1 3.62Å; F73-L76 HydrophobicContact CB-CD2 4.48Å; F73-L76 HydrophobicContact CB-CG 3.75Å; F73-L76 WeakPolarHBondContact O-CB 3.47Å; F73-L76 WeakPolarHBondContact O-CD1 3.4Å; F73-L76 WeakPolarHBondContact O-CG 3.46Å; F73-L76 PolarHBondContact O-N 3.45Å; F73-L96 WeakPolarHBondContact O-CD2 3.44Å
74S96.3Very high97.4Very high45 Ų4538.6 Ų38.632%0.31521%0.208SC..THydrogen-bonded Turntrans-67.3-13.7-17659.60000114.5M70M70-S74 PolarHBondContact O-N 3.09Å
75Q97.8Very high97.5Very high69 Ų6940 Ų4032%0.32221%0.207SC..THydrogen-bonded Turntrans-91.14.2177.7-61.7-57.8-59.100113.4G50 H53 F73 R77G50-Q75 WeakPolarHBondContact O-CG 3.45Å; H53-Q75 PolarHBondContact CD2-O 3.46Å; F73-Q75 PolarHBondContact O-N 3.06Å; F73-Q75 VanDerWaalsContact O-N 3.16Å; Q75-R77 PolarHBondContact O-N 2.96Å
76L98.4Very high97.6Very high0 Ų039.6 Ų39.60%021%0.205CC..  trans-56.5138.2179-77.8171.1000112.3I52 I55 F69 F73 L79 L96 H98 L99I52-L76 HydrophobicContact CG2-CD2 4.26Å; I55-L76 HydrophobicContact CB-CD2 4.04Å; I55-L76 HydrophobicContact CD1-CD1 4.19Å; I55-L76 HydrophobicContact CD1-CD2 3.89Å; I55-L76 HydrophobicContact CD1-CG 4.47Å; I55-L76 HydrophobicContact CG1-CD2 3.75Å; F69-L76 HydrophobicContact CE1-CD1 4.36Å; F73-L76 HydrophobicContact CB-CD1 3.62Å; F73-L76 HydrophobicContact CB-CD2 4.48Å; F73-L76 HydrophobicContact CB-CG 3.75Å; F73-L76 WeakPolarHBondContact O-CB 3.47Å; F73-L76 WeakPolarHBondContact O-CD1 3.4Å; F73-L76 WeakPolarHBondContact O-CG 3.46Å; F73-L76 PolarHBondContact O-N 3.45Å; L76-L79 HydrophobicContact CD1-CD1 4.47Å; L76-L96 HydrophobicContact CD1-CD1 4.44Å; L76-H98 CarbonylContact O-C 3.5Å; L76-L99 HydrophobicContact CB-CD1 4.01Å; L76-L99 VanDerWaalsContact O-CA 3.3Å; L76-L99 WeakPolarHBondContact O-CA 3.19Å; L76-L99 PolarHBondContact O-N 3.3Å; L76-L99 VanDerWaalsContact O-N 3.1Å
77R98.8Very high97.7Very high117 Ų11740.5 Ų40.544%0.44220%0.204SC..SBendtrans-110.9-33.7171.2-59.5-178.1-170.2177.14.8110.8H53 Q75 K100 A101H53-R77 HydrophobicContact CB-CB 4.39Å; H53-R77 HydrophobicContact CB-CG 4.1Å; H53-R77 PolarHBondContact NE2-NH2 2.94Å; H53-R77 PolarHBondContact O-N 2.95Å; Q75-R77 PolarHBondContact O-N 2.96Å; R77-K100 HydrophobicContact CB-CD 4.46Å; R77-K100 WeakPolarHBondContact O-CA 3.36Å; R77-K100 PolarHBondContact O-N 3Å; R77-A101 PolarHBondContact O-N 3Å
78E98.9Very high97.8Very high82 Ų8246.3 Ų46.338%0.38322%0.219SC..EExtended strand (participates in β ladder)trans-134.1130.7-177.7-64.9-178.1-14200110.4H53 L54 I55 H80 A101H53-E78 PolarHBondContact O-N 2.88Å; L54-E78 WeakPolarHBondContact CA-O 3.23Å; L54-E78 HydrophobicContact CB-CB 4.33Å; L54-E78 HydrophobicContact CD1-CB 4.01Å; L54-E78 WeakPolarHBondContact CD1-OE2 3.43Å; L54-E78 HydrophobicContact CG-CB 3.85Å; I55-E78 PolarHBondContact N-O 3.11Å; I55-E78 VanDerWaalsContact N-O 3.11Å; E78-H80 IonicContact OE2-NE2 2.77Å; E78-A101 WeakPolarHBondContact CA-O 3.49Å; E78-A101 HydrophobicContact CG-CB 4.24Å
79L98.8Very high97.8Very high1 Ų141.6 Ų41.61%0.00520%0.199CC..EExtended strand (participates in β ladder)trans-134.1111.2180179.357.9000110.6I55 F69 L76 L81 L96 L99 A101 I102 D103I55-L79 HydrophobicContact CB-CD1 4.18Å; I55-L79 HydrophobicContact CG2-CD1 4.21Å; F69-L79 HydrophobicContact CE1-CD1 4.15Å; F69-L79 HydrophobicContact CE1-CD2 4.4Å; F69-L79 HydrophobicContact CZ-CD1 4.11Å; L76-L79 HydrophobicContact CD1-CD1 4.47Å; L79-L81 HydrophobicContact CD1-CD1 4.27Å; L79-L81 HydrophobicContact CD1-CD2 4.36Å; L79-L81 HydrophobicContact CD1-CG 4.07Å; L79-L81 HydrophobicContact CD2-CD1 3.78Å; L79-L81 HydrophobicContact CD2-CG 4.47Å; L79-L81 HydrophobicContact CG-CD1 3.79Å; L79-L81 HydrophobicContact CG-CG 3.96Å; L79-L96 HydrophobicContact CD2-CD1 4.47Å; L79-L99 HydrophobicContact CB-CD1 3.94Å; L79-A101 PolarHBondContact N-O 2.91Å; L79-I102 HydrophobicContact CB-CG1 4.28Å; L79-I102 HydrophobicContact CD2-CD1 4.22Å; L79-I102 HydrophobicContact CD2-CG1 4.5Å; L79-I102 HydrophobicContact CG-CG1 4.44Å; L79-I102 WeakPolarHBondContact O-CA 3.49Å; L79-D103 PolarHBondContact O-N 2.75Å
80H98.9Very high97.8Very high50 Ų5042.7 Ų42.723%0.23121%0.206CC..EExtended strand (participates in β ladder)trans-102.6117.1179.7-62.3-77.7000110I55 L57 E78 E82I55-H80 PolarHBondContact O-N 2.89Å; L57-H80 PolarHBondContact N-O 3.1Å; E78-H80 IonicContact OE2-NE2 2.77Å; H80-E82 VanDerWaalsContact CB-OE2 3.3Å; H80-E82 WeakPolarHBondContact CB-OE2 3.22Å
81L98.8Very high97.8Very high0 Ų046.2 Ų46.20%023%0.231CC..  trans-130.214.2-176-69.3166.2000112L57 L62 L65 L79 N84 L86 L89 D103 L104 N107L57-L81 HydrophobicContact CB-CD2 3.8Å; L57-L81 HydrophobicContact CD1-CD2 3.93Å; L62-L81 HydrophobicContact CD1-CD2 4.4Å; L65-L81 HydrophobicContact CD1-CD1 3.71Å; L65-L81 HydrophobicContact CD1-CD2 3.74Å; L65-L81 HydrophobicContact CD1-CG 4.39Å; L65-L81 HydrophobicContact CG-CD2 4.48Å; L79-L81 HydrophobicContact CD1-CD1 4.27Å; L79-L81 HydrophobicContact CD1-CD2 4.36Å; L79-L81 HydrophobicContact CD1-CG 4.07Å; L79-L81 HydrophobicContact CD2-CD1 3.78Å; L79-L81 HydrophobicContact CD2-CG 4.47Å; L79-L81 HydrophobicContact CG-CD1 3.79Å; L79-L81 HydrophobicContact CG-CG 3.96Å; L81-N84 PolarHBondContact O-ND2 3.29Å; L81-L86 HydrophobicContact CB-CD1 3.87Å; L81-L86 HydrophobicContact CD1-CD1 3.96Å; L81-L86 HydrophobicContact CD2-CD1 4.13Å; L81-L86 HydrophobicContact CG-CD1 4.22Å; L81-L89 HydrophobicContact CD1-CD2 4.5Å; L81-D103 CarbonylContact C-O 3.58Å; L81-D103 WeakPolarHBondContact CA-O 3.33Å; L81-D103 WeakPolarHBondContact CB-O 3.37Å; L81-D103 PolarHBondContact N-O 3.3Å; L81-L104 HydrophobicContact CB-CD2 4Å; L81-L104 HydrophobicContact CD1-CD2 3.71Å; L81-N107 PolarHBondContact O-ND2 3.33Å
82E98.8Very high97.9Very high30 Ų3045.5 Ų45.514%0.1422%0.222CC..  trans-62.5150.4-177.272-78.3-170.100112.6A58 N59 H80 N84 D103 S105A58-E82 CarbonylContact C-O 3.57Å; A58-E82 VanDerWaalsContact CA-O 3.31Å; A58-E82 WeakPolarHBondContact CA-O 3.33Å; A58-E82 HydrophobicContact CB-CG 4.05Å; A58-E82 WeakPolarHBondContact CB-OE1 3.31Å; N59-E82 PolarHBondContact N-O 2.74Å; H80-E82 VanDerWaalsContact CB-OE2 3.3Å; H80-E82 WeakPolarHBondContact CB-OE2 3.22Å; E82-N84 PolarHBondContact O-ND2 3.34Å; E82-D103 PolarHBondContact N-O 3.44Å; E82-S105 CarbonylContact C-O 3.52Å; E82-S105 WeakPolarHBondContact CA-O 3.49Å; E82-S105 WeakPolarHBondContact CB-O 3.26Å; E82-S105 VanDerWaalsContact CB-OG 3.26Å; E82-S105 WeakPolarHBondContact CB-OG 3.45Å
83G98.7Very high98Very high20 Ų2044.1 Ų44.121%0.20621%0.213CC..SBendtrans6645.1176.800000112.9N59 N60 S105 R106N59-G83 VanDerWaalsContact CA-O 3.29Å; N59-G83 WeakPolarHBondContact CA-O 3.47Å; N60-G83 PolarHBondContact N-O 3.02Å; N60-G83 VanDerWaalsContact O-O 3.12Å; G83-S105 PolarHBondContact N-O 3.27Å; G83-S105 VanDerWaalsContact N-O 3.09Å; G83-R106 VanDerWaalsContact CA-O 3.25Å; G83-R106 WeakPolarHBondContact CA-O 3.31Å; G83-R106 PolarHBondContact N-O 3.05Å
84N98.8Very high97.9Very high5 Ų546.1 Ų46.13%0.02723%0.228CC..SBendtrans-124.6-169.9175.5-81.8-80.2000110.3L57 N60 E61 L62 L81 E82 L86 R106 N107L57-N84 PolarHBondContact O-ND2 2.98Å; N60-N84 WeakPolarHBondContact CA-OD1 3.31Å; N60-N84 WeakPolarHBondContact CB-OD1 3.35Å; N60-N84 PolarHBondContact N-OD1 3Å; N60-N84 PolarHBondContact O-OD1 2.76Å; E61-N84 PolarHBondContact N-OD1 3.47Å; L62-N84 HydrophobicContact CB-CB 4.27Å; L62-N84 VanDerWaalsContact CB-OD1 3.24Å; L62-N84 WeakPolarHBondContact CB-OD1 3.35Å; L62-N84 WeakPolarHBondContact CG-OD1 3.44Å; L62-N84 PolarHBondContact N-OD1 3.24Å; L81-N84 PolarHBondContact O-ND2 3.29Å; E82-N84 PolarHBondContact O-ND2 3.34Å; N84-L86 HydrophobicContact CB-CG 4.16Å; N84-R106 PolarHBondContact N-O 2.83Å; N84-N107 WeakPolarHBondContact CA-OD1 3.41Å; N84-N107 WeakPolarHBondContact CB-OD1 3.06Å; N84-N107 PolarHBondContact O-OD1 3.2Å
85F98.4Very high97.8Very high85 Ų8546.1 Ų46.137%0.37323%0.23SC..  trans-115.434.4177.1-55.4-63.1000111.5E61 L62 K63E61-F85 HydrophobicContact CB-CD2 4.08Å; E61-F85 HydrophobicContact CB-CE2 3.85Å; E61-F85 HydrophobicContact CG-CE2 4.02Å; L62-F85 CarbonylContact O-C 3.33Å; L62-F85 VanDerWaalsContact O-CA 3.32Å; L62-F85 WeakPolarHBondContact O-CA 3.25Å; L62-F85 PolarHBondContact O-N 2.83Å; K63-F85 WeakPolarHBondContact CA-O 3.22Å; K63-F85 HydrophobicContact CG-CB 4.16Å
86L98.6Very high97.8Very high0 Ų042.9 Ų42.90%022%0.215CC..  trans-74.6135179.4-59.9174000109.7L62 L81 N84 L104 N107 Q108 F109L62-L86 HydrophobicContact CB-CD2 4.14Å; L62-L86 PolarHBondContact O-N 3.32Å; L81-L86 HydrophobicContact CB-CD1 3.87Å; L81-L86 HydrophobicContact CD1-CD1 3.96Å; L81-L86 HydrophobicContact CD2-CD1 4.13Å; L81-L86 HydrophobicContact CG-CD1 4.22Å; N84-L86 HydrophobicContact CB-CG 4.16Å; L86-L104 HydrophobicContact CD1-CD2 4.32Å; L86-N107 HydrophobicContact CB-CB 4.45Å; L86-N107 VanDerWaalsContact CB-OD1 3.28Å; L86-N107 WeakPolarHBondContact CB-OD1 3.24Å; L86-N107 PolarHBondContact N-OD1 3.38Å; L86-Q108 CarbonylContact O-C 3.33Å; L86-Q108 WeakPolarHBondContact O-CA 3.27Å; L86-Q108 PolarHBondContact O-N 2.95Å; L86-F109 HydrophobicContact CB-CE2 3.7Å; L86-F109 HydrophobicContact CB-CZ 4.02Å; L86-F109 WeakPolarHBondContact O-CD2 3.44Å; L86-F109 PolarHBondContact O-N 3.32Å
87H97.9Very high97.8Very high89 Ų8947.3 Ų47.341%0.41224%0.236SC..  trans-121.4-8.5175.754.8-79.9000112.2K63 Q108K63-H87 PolarHBondContact O-CE1 3.14Å; K63-H87 VanDerWaalsContact O-CE1 3.24Å; K63-H87 PolarHBondContact O-ND1 3.04Å; H87-Q108 WeakPolarHBondContact CA-O 3.28Å; H87-Q108 HydrophobicContact CB-CB 4.39Å; H87-Q108 WeakPolarHBondContact CB-O 3.38Å
88R97.8Very high97.8Very high166 Ų16646 Ų4663%0.62623%0.234SC*.  trans-159158.4177.765.2-176.7179.7163.82111.1
89L97.8Very high97.8Very high8 Ų842 Ų424%0.04222%0.216CC..  trans-105.9150166.9-64.2176.9000110.3M70 L81 V93 I102 L104 F109 P113 L116M70-L89 HydrophobicContact CE-CD2 4.46Å; L81-L89 HydrophobicContact CD1-CD2 4.5Å; L89-V93 HydrophobicContact CB-CB 4.42Å; L89-V93 HydrophobicContact CB-CG1 4.22Å; L89-V93 HydrophobicContact CD1-CG1 4.47Å; L89-V93 HydrophobicContact CD1-CG2 4.16Å; L89-I102 HydrophobicContact CD1-CD1 4.15Å; L89-L104 HydrophobicContact CD1-CD1 4.04Å; L89-L104 HydrophobicContact CD2-CD2 4.22Å; L89-F109 HydrophobicContact CD2-CZ 4.22Å; L89-F109 HydrophobicContact CG-CE1 4.16Å; L89-F109 HydrophobicContact CG-CZ 4Å; L89-P113 HydrophobicContact CD1-CB 4.11Å; L89-P113 HydrophobicContact CG-CB 4.48Å; L89-L116 HydrophobicContact CD1-CD2 3.92Å; L89-L116 HydrophobicContact CD1-CG 4.3Å
90P96.8Very high97.8Very high23 Ų2346.2 Ų46.215%0.14923%0.234CC..  trans-65.5152.4169.830-36000110.8M70 E92 V93M70-P90 HydrophobicContact CE-CG 3.51Å; M70-P90 HydrophobicContact CG-CG 3.71Å; M70-P90 HydrophobicContact SD-CG 4.46Å; P90-E92 PolarHBondContact O-N 3.27Å; P90-E92 VanDerWaalsContact O-N 3.12Å; P90-V93 WeakPolarHBondContact O-CB 3.38Å; P90-V93 VanDerWaalsContact O-CG1 3.32Å; P90-V93 WeakPolarHBondContact O-CG1 3.45Å; P90-V93 PolarHBondContact O-N 2.88Å
91S96.1Very high97.8Very high73 Ų7345 Ų4551%0.5123%0.233SC..G310 helixtrans-55.6-31.4179.4420000113.9V93 S94S91-V93 PolarHBondContact O-N 3.19Å; S91-S94 WeakPolarHBondContact O-CB 3.34Å; S91-S94 PolarHBondContact O-N 3.06Å; S91-S94 PolarHBondContact O-OG 2.78Å
92E97.4Very high97.8Very high63 Ų6345.2 Ų45.229%0.29423%0.234SC..G310 helixtrans-71.2-4.5-178.8-64.289.3150.400113.3S67 M70 P90 S94 A95S67-E92 WeakPolarHBondContact CB-OE1 3.17Å; S67-E92 VanDerWaalsContact OG-CG 3.3Å; S67-E92 WeakPolarHBondContact OG-CG 3.3Å; S67-E92 PolarHBondContact OG-OE1 3.25Å; M70-E92 HydrophobicContact CB-CB 3.92Å; M70-E92 WeakPolarHBondContact CB-O 3.25Å; M70-E92 HydrophobicContact CG-CB 4.29Å; P90-E92 PolarHBondContact O-N 3.27Å; P90-E92 VanDerWaalsContact O-N 3.12Å; E92-S94 PolarHBondContact O-N 3.36Å; E92-A95 WeakPolarHBondContact O-CB 3.13Å; E92-A95 PolarHBondContact O-N 3.27Å
93V97.4Very high97.8Very high0 Ų045.2 Ų45.20%024%0.235CC..G310 helixtrans-56.3-31.4166.272.50000111M70 L89 P90 S91 A95 L96 Q115 L116 L119M70-V93 HydrophobicContact CE-CB 4.12Å; M70-V93 HydrophobicContact CE-CG2 4.19Å; M70-V93 HydrophobicContact SD-CB 4.3Å; M70-V93 HydrophobicContact SD-CG2 4.31Å; L89-V93 HydrophobicContact CB-CB 4.42Å; L89-V93 HydrophobicContact CB-CG1 4.22Å; L89-V93 HydrophobicContact CD1-CG1 4.47Å; L89-V93 HydrophobicContact CD1-CG2 4.16Å; P90-V93 WeakPolarHBondContact O-CB 3.38Å; P90-V93 VanDerWaalsContact O-CG1 3.32Å; P90-V93 WeakPolarHBondContact O-CG1 3.45Å; P90-V93 PolarHBondContact O-N 2.88Å; S91-V93 PolarHBondContact O-N 3.19Å; V93-A95 PolarHBondContact O-N 2.76Å; V93-A95 VanDerWaalsContact O-N 3.11Å; V93-L96 HydrophobicContact CG2-CD1 4.08Å; V93-L96 WeakPolarHBondContact O-CB 3.24Å; V93-L96 WeakPolarHBondContact O-CG 3.29Å; V93-L96 PolarHBondContact O-N 3.3Å; V93-Q115 HydrophobicContact CG1-CB 3.4Å; V93-Q115 HydrophobicContact CG1-CG 4.37Å; V93-L116 HydrophobicContact CG1-CD2 4.48Å; V93-L116 HydrophobicContact CG2-CD2 3.95Å; V93-L119 WeakPolarHBondContact O-CD2 3.42Å
94S95.6Very high97.8Very high43 Ų4344.3 Ų44.330%0.30123%0.225SC..G310 helixtrans-61.1-16173.160.30000113.8S91 E92 L96 Q97S91-S94 WeakPolarHBondContact O-CB 3.34Å; S91-S94 PolarHBondContact O-N 3.06Å; S91-S94 PolarHBondContact O-OG 2.78Å; E92-S94 PolarHBondContact O-N 3.36Å; S94-L96 VanDerWaalsContact C-N 3.29Å; S94-Q97 PolarHBondContact O-NE2 3.37Å
95A94.4Very high97.8Very high45 Ų4544.2 Ų44.237%0.37223%0.225SC..G310 helixtrans-78.9-10.2174.700000113.3E92 V93 Q97E92-A95 WeakPolarHBondContact O-CB 3.13Å; E92-A95 PolarHBondContact O-N 3.27Å; V93-A95 PolarHBondContact O-N 2.76Å; V93-A95 VanDerWaalsContact O-N 3.11Å; A95-Q97 PolarHBondContact O-N 3.18Å
96L97.7Very high97.8Very high0 Ų045.5 Ų45.50%023%0.227CC..  trans-79.862.5179.9-57-176.2000111.6M70 F73 L76 L79 V93 S94 H98 L99 L119M70-L96 HydrophobicContact CB-CD2 4.5Å; M70-L96 WeakPolarHBondContact O-CD2 3.29Å; M70-L96 HydrophobicContact SD-CD1 3.84Å; M70-L96 HydrophobicContact SD-CG 4.41Å; F73-L96 WeakPolarHBondContact O-CD2 3.44Å; L76-L96 HydrophobicContact CD1-CD1 4.44Å; L79-L96 HydrophobicContact CD2-CD1 4.47Å; V93-L96 HydrophobicContact CG2-CD1 4.08Å; V93-L96 WeakPolarHBondContact O-CB 3.24Å; V93-L96 WeakPolarHBondContact O-CG 3.29Å; V93-L96 PolarHBondContact O-N 3.3Å; S94-L96 VanDerWaalsContact C-N 3.29Å; L96-H98 PolarHBondContact O-N 2.92Å; L96-L99 HydrophobicContact CB-CB 3.92Å; L96-L99 HydrophobicContact CB-CD2 4.44Å; L96-L99 HydrophobicContact CD1-CD1 4.5Å; L96-L99 HydrophobicContact CD1-CD2 4.08Å; L96-L99 VanDerWaalsContact O-CB 3.28Å; L96-L99 WeakPolarHBondContact O-CB 3.38Å; L96-L99 PolarHBondContact O-N 2.81Å; L96-L119 HydrophobicContact CB-CD2 4.41Å; L96-L119 WeakPolarHBondContact O-CD2 3.14Å
97Q97.4Very high97.8Very high93 Ų9346 Ų4644%0.43523%0.23SC..THydrogen-bonded Turntrans-61.1-16.3-171.8-64.3-66.4-56.700114.5S94 A95 A121S94-Q97 PolarHBondContact O-NE2 3.37Å; A95-Q97 PolarHBondContact O-N 3.18Å; Q97-A121 WeakPolarHBondContact O-CB 3.26Å
98H98.3Very high97.8Very high89 Ų8945.7 Ų45.741%0.41223%0.229SC..THydrogen-bonded Turntrans-101.2-1.4179.1-57.7-63.8000113.8L76 L96 K100L76-H98 CarbonylContact O-C 3.5Å; L96-H98 PolarHBondContact O-N 2.92Å; H98-K100 PolarHBondContact O-N 3.06Å
99L98.8Very high97.9Very high0 Ų037.8 Ų37.80%020%0.199CC..  trans-68.7124.2-175.8-165.273.1000110.3L76 L79 L96 I102 L119 A121 L122L76-L99 HydrophobicContact CB-CD1 4.01Å; L76-L99 VanDerWaalsContact O-CA 3.3Å; L76-L99 WeakPolarHBondContact O-CA 3.19Å; L76-L99 PolarHBondContact O-N 3.3Å; L76-L99 VanDerWaalsContact O-N 3.1Å; L79-L99 HydrophobicContact CB-CD1 3.94Å; L96-L99 HydrophobicContact CB-CB 3.92Å; L96-L99 HydrophobicContact CB-CD2 4.44Å; L96-L99 HydrophobicContact CD1-CD1 4.5Å; L96-L99 HydrophobicContact CD1-CD2 4.08Å; L96-L99 VanDerWaalsContact O-CB 3.28Å; L96-L99 WeakPolarHBondContact O-CB 3.38Å; L96-L99 PolarHBondContact O-N 2.81Å; L99-I102 HydrophobicContact CD2-CB 4.18Å; L99-I102 HydrophobicContact CD2-CD1 4.35Å; L99-L119 HydrophobicContact CB-CD1 4.32Å; L99-L119 HydrophobicContact CD2-CD1 3.84Å; L99-A121 CarbonylContact O-C 3.14Å; L99-L122 HydrophobicContact CB-CD1 4.47Å; L99-L122 HydrophobicContact CD2-CD1 4.06Å; L99-L122 HydrophobicContact CG-CD1 4.03Å; L99-L122 VanDerWaalsContact O-CA 3.24Å; L99-L122 WeakPolarHBondContact O-CA 3.45Å; L99-L122 PolarHBondContact O-N 3.24Å
100K98.8Very high97.9Very high89 Ų8943 Ų4339%0.38722%0.223SC..  trans-107.1-36-179-72.8168.6162.8-88.60112.5R77 H98 A121 E123 T124R77-K100 HydrophobicContact CB-CD 4.46Å; R77-K100 WeakPolarHBondContact O-CA 3.36Å; R77-K100 PolarHBondContact O-N 3Å; H98-K100 PolarHBondContact O-N 3.06Å; K100-A121 WeakPolarHBondContact CA-O 3.38Å; K100-E123 HydrophobicContact CB-CG 4.41Å; K100-E123 IonicContact NZ-OE1 2.81Å; K100-E123 PolarHBondContact NZ-OE1 3.48Å; K100-E123 WeakPolarHBondContact O-CA 3.37Å; K100-E123 PolarHBondContact O-N 2.66Å; K100-T124 PolarHBondContact O-N 2.98Å
101A98.8Very high97.9Very high25 Ų2548.1 Ų48.121%0.20725%0.249CC..EExtended strand (participates in β ladder)trans-136.1139.217900000111.4R77 E78 L79 T124R77-A101 PolarHBondContact O-N 3Å; E78-A101 WeakPolarHBondContact CA-O 3.49Å; E78-A101 HydrophobicContact CG-CB 4.24Å; L79-A101 PolarHBondContact N-O 2.91Å; A101-T124 WeakPolarHBondContact CA-O 3.47Å
102I98.8Very high97.9Very high4 Ų445.2 Ų45.22%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-135.1129.5171-166.1174.5000110.3L79 L89 L99 L104 L116 L122 T124 I125 N126L79-I102 HydrophobicContact CB-CG1 4.28Å; L79-I102 HydrophobicContact CD2-CD1 4.22Å; L79-I102 HydrophobicContact CD2-CG1 4.5Å; L79-I102 HydrophobicContact CG-CG1 4.44Å; L79-I102 WeakPolarHBondContact O-CA 3.49Å; L89-I102 HydrophobicContact CD1-CD1 4.15Å; L99-I102 HydrophobicContact CD2-CB 4.18Å; L99-I102 HydrophobicContact CD2-CD1 4.35Å; I102-L104 HydrophobicContact CD1-CD1 4.01Å; I102-L104 HydrophobicContact CD1-CD2 4.15Å; I102-L104 HydrophobicContact CD1-CG 4.06Å; I102-L104 HydrophobicContact CG1-CD1 4.39Å; I102-L104 HydrophobicContact CG1-CD2 4.39Å; I102-L104 HydrophobicContact CG1-CG 4.05Å; I102-L116 HydrophobicContact CD1-CD2 4.01Å; I102-L116 HydrophobicContact CG2-CD1 3.97Å; I102-L116 HydrophobicContact CG2-CD2 4.46Å; I102-L122 HydrophobicContact CG2-CD1 4.18Å; I102-L122 HydrophobicContact CG2-CD2 4.41Å; I102-T124 PolarHBondContact N-O 3.01Å; I102-I125 HydrophobicContact CG2-CB 4.48Å; I102-I125 HydrophobicContact CG2-CG1 4.26Å; I102-I125 HydrophobicContact CG2-CG2 4.31Å; I102-N126 PolarHBondContact O-N 3.23Å
103D98.9Very high97.9Very high30 Ų3042.5 Ų42.516%0.1622%0.215CC..EExtended strand (participates in β ladder)trans-108.8114.1172.3-160.7-30.9000110.3L79 L81 E82 S105 N126L79-D103 PolarHBondContact O-N 2.75Å; L81-D103 CarbonylContact C-O 3.58Å; L81-D103 WeakPolarHBondContact CA-O 3.33Å; L81-D103 WeakPolarHBondContact CB-O 3.37Å; L81-D103 PolarHBondContact N-O 3.3Å; E82-D103 PolarHBondContact N-O 3.44Å; D103-S105 VanDerWaalsContact OD1-CB 3.22Å; D103-S105 WeakPolarHBondContact OD1-CB 3.33Å; D103-S105 PolarHBondContact OD1-N 3.05Å; D103-S105 PolarHBondContact OD1-OG 3.49Å; D103-N126 HydrophobicContact CB-CB 4.37Å; D103-N126 PolarHBondContact OD1-ND2 2.82Å; D103-N126 PolarHBondContact OD2-ND2 2.97Å
104L98.8Very high97.9Very high0 Ų046.9 Ų46.90%024%0.236CC..  trans-118.415.7176.7-63.6166.3000110.7L81 L86 L89 I102 N107 F109 P113 L116 N126 L127 N130L81-L104 HydrophobicContact CB-CD2 4Å; L81-L104 HydrophobicContact CD1-CD2 3.71Å; L86-L104 HydrophobicContact CD1-CD2 4.32Å; L89-L104 HydrophobicContact CD1-CD1 4.04Å; L89-L104 HydrophobicContact CD2-CD2 4.22Å; I102-L104 HydrophobicContact CD1-CD1 4.01Å; I102-L104 HydrophobicContact CD1-CD2 4.15Å; I102-L104 HydrophobicContact CD1-CG 4.06Å; I102-L104 HydrophobicContact CG1-CD1 4.39Å; I102-L104 HydrophobicContact CG1-CD2 4.39Å; I102-L104 HydrophobicContact CG1-CG 4.05Å; L104-N107 WeakPolarHBondContact O-CB 3.43Å; L104-N107 PolarHBondContact O-ND2 2.77Å; L104-F109 HydrophobicContact CB-CE2 4.14Å; L104-F109 HydrophobicContact CD1-CE2 4.34Å; L104-F109 HydrophobicContact CD1-CZ 4.2Å; L104-F109 HydrophobicContact CD2-CE2 3.92Å; L104-F109 HydrophobicContact CD2-CZ 3.99Å; L104-F109 HydrophobicContact CG-CE2 4.36Å; L104-P113 HydrophobicContact CD1-CG 4.14Å; L104-L116 HydrophobicContact CD1-CD1 4.05Å; L104-N126 CarbonylContact C-O 3.35Å; L104-N126 WeakPolarHBondContact CA-O 3.24Å; L104-N126 WeakPolarHBondContact CB-O 3.5Å; L104-N126 PolarHBondContact N-O 3.39Å; L104-L127 HydrophobicContact CB-CD2 3.7Å; L104-L127 HydrophobicContact CD1-CD2 3.79Å; L104-L127 HydrophobicContact CG-CD2 4.41Å; L104-N130 PolarHBondContact O-ND2 3.24Å
105S98.9Very high97.9Very high4 Ų448.2 Ų48.23%0.02824%0.237CC..  trans-61.1154.6-179.860.60000111.9E82 G83 D103 N107 N126 E128E82-S105 CarbonylContact C-O 3.52Å; E82-S105 WeakPolarHBondContact CA-O 3.49Å; E82-S105 WeakPolarHBondContact CB-O 3.26Å; E82-S105 VanDerWaalsContact CB-OG 3.26Å; E82-S105 WeakPolarHBondContact CB-OG 3.45Å; G83-S105 PolarHBondContact N-O 3.27Å; G83-S105 VanDerWaalsContact N-O 3.09Å; D103-S105 VanDerWaalsContact OD1-CB 3.22Å; D103-S105 WeakPolarHBondContact OD1-CB 3.33Å; D103-S105 PolarHBondContact OD1-N 3.05Å; D103-S105 PolarHBondContact OD1-OG 3.49Å; S105-N107 PolarHBondContact O-N 2.94Å; S105-N107 PolarHBondContact O-ND2 2.99Å; S105-N126 PolarHBondContact N-O 2.8Å; S105-E128 CarbonylContact C-O 3.16Å; S105-E128 WeakPolarHBondContact CA-O 3.37Å; S105-E128 VanDerWaalsContact CB-O 3.31Å; S105-E128 WeakPolarHBondContact CB-O 3.46Å
106R98.8Very high98.1Very high111 Ų11146.1 Ų46.142%0.41922%0.22SC..SBendtrans55.354.4177.9-62.3174.1-69.9170.50.2111.8G83 N84 E128 E129G83-R106 VanDerWaalsContact CA-O 3.25Å; G83-R106 WeakPolarHBondContact CA-O 3.31Å; G83-R106 PolarHBondContact N-O 3.05Å; N84-R106 PolarHBondContact N-O 2.83Å; R106-E128 PolarHBondContact N-O 3.37Å; R106-E129 VanDerWaalsContact CA-O 3.27Å; R106-E129 WeakPolarHBondContact CA-O 3.23Å; R106-E129 HydrophobicContact CG-CB 4Å; R106-E129 HydrophobicContact CG-CG 4.24Å; R106-E129 VanDerWaalsContact CG-OE2 3.22Å; R106-E129 WeakPolarHBondContact CG-OE2 3.32Å; R106-E129 PolarHBondContact N-O 3.2Å
107N98.9Very high98Very high12 Ų1247.7 Ų47.76%0.06423%0.23CC..SBendtrans-130.1-160.9176.4-85.9-80.7000109.6L81 N84 L86 L104 S105 F109 E129 N130L81-N107 PolarHBondContact O-ND2 3.33Å; N84-N107 WeakPolarHBondContact CA-OD1 3.41Å; N84-N107 WeakPolarHBondContact CB-OD1 3.06Å; N84-N107 PolarHBondContact O-OD1 3.2Å; L86-N107 HydrophobicContact CB-CB 4.45Å; L86-N107 VanDerWaalsContact CB-OD1 3.28Å; L86-N107 WeakPolarHBondContact CB-OD1 3.24Å; L86-N107 PolarHBondContact N-OD1 3.38Å; L104-N107 WeakPolarHBondContact O-CB 3.43Å; L104-N107 PolarHBondContact O-ND2 2.77Å; S105-N107 PolarHBondContact O-N 2.94Å; S105-N107 PolarHBondContact O-ND2 2.99Å; N107-F109 HydrophobicContact CB-CD2 3.82Å; N107-F109 HydrophobicContact CB-CE2 4.02Å; N107-E129 PolarHBondContact N-O 2.94Å; N107-N130 WeakPolarHBondContact CA-OD1 3.39Å; N107-N130 WeakPolarHBondContact CB-OD1 3.28Å; N107-N130 PolarHBondContact N-OD1 3.41Å; N107-N130 PolarHBondContact O-OD1 3.42Å
108Q98.5Very high98Very high81 Ų8146.1 Ų46.138%0.37923%0.233SC..  trans-125.333.8-174.2-60.7-178-31.800111.8L86 H87 Q110 N130L86-Q108 CarbonylContact O-C 3.33Å; L86-Q108 WeakPolarHBondContact O-CA 3.27Å; L86-Q108 PolarHBondContact O-N 2.95Å; H87-Q108 WeakPolarHBondContact CA-O 3.28Å; H87-Q108 HydrophobicContact CB-CB 4.39Å; H87-Q108 WeakPolarHBondContact CB-O 3.38Å; Q108-Q110 PolarHBondContact O-N 2.96Å; Q108-N130 PolarHBondContact N-OD1 3.37Å
109F98.6Very high97.9Very high1 Ų142 Ų420%0.00421%0.213CC..  trans-71.8118.5177.3-75.3-93.8000110.2L86 L89 L104 N107 P113 N130 E131 I132L86-F109 HydrophobicContact CB-CE2 3.7Å; L86-F109 HydrophobicContact CB-CZ 4.02Å; L86-F109 WeakPolarHBondContact O-CD2 3.44Å; L86-F109 PolarHBondContact O-N 3.32Å; L89-F109 HydrophobicContact CD2-CZ 4.22Å; L89-F109 HydrophobicContact CG-CE1 4.16Å; L89-F109 HydrophobicContact CG-CZ 4Å; L104-F109 HydrophobicContact CB-CE2 4.14Å; L104-F109 HydrophobicContact CD1-CE2 4.34Å; L104-F109 HydrophobicContact CD1-CZ 4.2Å; L104-F109 HydrophobicContact CD2-CE2 3.92Å; L104-F109 HydrophobicContact CD2-CZ 3.99Å; L104-F109 HydrophobicContact CG-CE2 4.36Å; N107-F109 HydrophobicContact CB-CD2 3.82Å; N107-F109 HydrophobicContact CB-CE2 4.02Å; F109-P113 HydrophobicContact CD1-CB 4.42Å; F109-P113 HydrophobicContact CD1-CG 4.43Å; F109-P113 HydrophobicContact CE1-CB 4.09Å; F109-P113 HydrophobicContact CE1-CG 4.31Å; F109-N130 HydrophobicContact CB-CB 4.25Å; F109-N130 WeakPolarHBondContact CD2-OD1 3.27Å; F109-N130 PolarHBondContact N-OD1 3.17Å; F109-E131 CarbonylContact O-C 3.13Å; F109-E131 VanDerWaalsContact O-CA 3.25Å; F109-E131 WeakPolarHBondContact O-CA 3.21Å; F109-E131 PolarHBondContact O-N 3.24Å; F109-I132 HydrophobicContact CB-CD1 4.17Å; F109-I132 HydrophobicContact CB-CG1 4.06Å; F109-I132 VanDerWaalsContact O-CG1 3.3Å; F109-I132 WeakPolarHBondContact O-CG1 3.48Å; F109-I132 PolarHBondContact O-N 3.16Å; F109-I132 VanDerWaalsContact O-N 3.14Å
110Q97.6Very high97.8Very high118 Ų11844.8 Ų44.855%0.55123%0.231SC*.SBendtrans-91.5-30173.2-68.2-177.9-4.100112.2Q108 E131 I132Q108-Q110 PolarHBondContact O-N 2.96Å; Q110-E131 HydrophobicContact CG-CB 3.86Å; Q110-E131 WeakPolarHBondContact CG-OE2 3.49Å; Q110-E131 PolarHBondContact NE2-OE2 2.73Å; Q110-I132 WeakPolarHBondContact O-CA 3.32Å
111D96.9Very high97.8Very high130 Ų13041.8 Ų41.870%0.69522%0.224SC*.SBendtrans-113.8147.2175.1-60.1-55.5000109.7
112F97.4Very high97.8Very high11 Ų1140.6 Ų40.65%0.04821%0.214CC..  trans-60.4131.7169-177.9-85.5000110E114 T117 I125 L127 I132 V135 P136 L140 I149F112-E114 VanDerWaalsContact C-N 3.3Å; F112-E114 PolarHBondContact O-N 2.86Å; F112-T117 HydrophobicContact CE1-CG2 3.85Å; F112-I125 HydrophobicContact CZ-CD1 4.26Å; F112-L127 HydrophobicContact CD2-CD1 3.6Å; F112-L127 HydrophobicContact CE2-CD1 3.45Å; F112-L127 VanDerWaalsContact CE2-CD1 3.45Å; F112-L127 HydrophobicContact CZ-CD1 4.47Å; F112-I132 HydrophobicContact CB-CG2 4.49Å; F112-V135 HydrophobicContact CB-CG1 4.34Å; F112-V135 HydrophobicContact CD2-CB 4.43Å; F112-V135 HydrophobicContact CD2-CG1 4.12Å; F112-P136 VanDerWaalsContact CD1-CD 3.42Å; F112-P136 HydrophobicContact CD1-CG 3.61Å; F112-P136 HydrophobicContact CE1-CG 4.02Å; F112-P136 HydrophobicContact CG-CG 4.24Å; F112-L140 HydrophobicContact CE1-CD2 4.33Å; F112-L140 HydrophobicContact CE2-CD1 4.48Å; F112-L140 HydrophobicContact CE2-CD2 4.15Å; F112-L140 HydrophobicContact CZ-CD2 3.69Å; F112-I149 HydrophobicContact CE2-CD1 3.85Å
113P97.1Very high97.8Very high6 Ų642.5 Ų42.54%0.03922%0.222CC..  trans-7283.1177.230.2-35.6000110.9L89 L104 F109 Q115 L116 L127L89-P113 HydrophobicContact CD1-CB 4.11Å; L89-P113 HydrophobicContact CG-CB 4.48Å; L104-P113 HydrophobicContact CD1-CG 4.14Å; F109-P113 HydrophobicContact CD1-CB 4.42Å; F109-P113 HydrophobicContact CD1-CG 4.43Å; F109-P113 HydrophobicContact CE1-CB 4.09Å; F109-P113 HydrophobicContact CE1-CG 4.31Å; P113-Q115 PolarHBondContact O-N 2.96Å; P113-L116 HydrophobicContact CB-CD1 4.33Å; P113-L116 HydrophobicContact CB-CG 4.24Å; P113-L116 HydrophobicContact CG-CD1 3.6Å; P113-L116 HydrophobicContact CG-CG 4.03Å; P113-L116 WeakPolarHBondContact O-CB 3.22Å; P113-L116 WeakPolarHBondContact O-CG 3.32Å; P113-L116 PolarHBondContact O-N 2.79Å; P113-L127 HydrophobicContact CG-CD1 4.5Å; P113-L127 HydrophobicContact CG-CD2 4.37Å
114E96.3Very high97.8Very high92 Ų9243.8 Ų43.843%0.4323%0.231SC..G310 helixtrans-54.7-25.4-173.3-65.6-155131.600114F112 L116 T117 P136 K139F112-E114 VanDerWaalsContact C-N 3.3Å; F112-E114 PolarHBondContact O-N 2.86Å; E114-L116 PolarHBondContact O-N 3.05Å; E114-L116 VanDerWaalsContact O-N 3.16Å; E114-T117 WeakPolarHBondContact O-CB 3.36Å; E114-T117 WeakPolarHBondContact O-CG2 3.37Å; E114-T117 PolarHBondContact O-N 3.24Å; E114-T117 PolarHBondContact O-OG1 3.38Å; E114-P136 HydrophobicContact CG-CG 4.3Å; E114-K139 IonicContact OE1-NZ 3.93Å; E114-K139 PolarHBondContact OE1-NZ 2.85Å; E114-K139 IonicContact OE2-NZ 3.79Å; E114-K139 PolarHBondContact OE2-NZ 3.28Å
115Q96.4Very high97.8Very high72 Ų7243.8 Ų43.834%0.33623%0.231SC..G310 helixtrans-61.3-22.6178.4-5684.10.300112.7V93 P113 T117 A118V93-Q115 HydrophobicContact CG1-CB 3.4Å; V93-Q115 HydrophobicContact CG1-CG 4.37Å; P113-Q115 PolarHBondContact O-N 2.96Å; Q115-T117 PolarHBondContact O-N 2.98Å; Q115-A118 PolarHBondContact O-N 3Å
116L97.8Very high97.8Very high0 Ų044.9 Ų44.90%024%0.237CC..G310 helixtrans-66.3-25.9173.2-63.1-174.1000112.7L89 V93 I102 L104 P113 E114 A118 L119 L122 I125L89-L116 HydrophobicContact CD1-CD2 3.92Å; L89-L116 HydrophobicContact CD1-CG 4.3Å; V93-L116 HydrophobicContact CG1-CD2 4.48Å; V93-L116 HydrophobicContact CG2-CD2 3.95Å; I102-L116 HydrophobicContact CD1-CD2 4.01Å; I102-L116 HydrophobicContact CG2-CD1 3.97Å; I102-L116 HydrophobicContact CG2-CD2 4.46Å; L104-L116 HydrophobicContact CD1-CD1 4.05Å; P113-L116 HydrophobicContact CB-CD1 4.33Å; P113-L116 HydrophobicContact CB-CG 4.24Å; P113-L116 HydrophobicContact CG-CD1 3.6Å; P113-L116 HydrophobicContact CG-CG 4.03Å; P113-L116 WeakPolarHBondContact O-CB 3.22Å; P113-L116 WeakPolarHBondContact O-CG 3.32Å; P113-L116 PolarHBondContact O-N 2.79Å; E114-L116 PolarHBondContact O-N 3.05Å; E114-L116 VanDerWaalsContact O-N 3.16Å; L116-A118 PolarHBondContact O-N 3.12Å; L116-L119 HydrophobicContact CD2-CD1 3.98Å; L116-L119 WeakPolarHBondContact O-CB 3.33Å; L116-L119 PolarHBondContact O-N 3.23Å; L116-L122 HydrophobicContact CB-CD2 3.95Å; L116-L122 HydrophobicContact CD2-CD2 4.39Å; L116-I125 HydrophobicContact CB-CD1 4.43Å; L116-I125 HydrophobicContact CD1-CD1 4.38Å; L116-I125 HydrophobicContact CD1-CG2 4.12Å
117T96.6Very high97.7Very high34 Ų3439.6 Ų39.621%0.20922%0.217CC..G310 helixtrans-69.6-15.6179.267.60000113.2F112 E114 Q115 L119 P136 K139 L140 M143F112-T117 HydrophobicContact CE1-CG2 3.85Å; E114-T117 WeakPolarHBondContact O-CB 3.36Å; E114-T117 WeakPolarHBondContact O-CG2 3.37Å; E114-T117 PolarHBondContact O-N 3.24Å; E114-T117 PolarHBondContact O-OG1 3.38Å; Q115-T117 PolarHBondContact O-N 2.98Å; T117-L119 VanDerWaalsContact C-N 3.32Å; T117-P136 HydrophobicContact CG2-CG 4.19Å; T117-K139 HydrophobicContact CG2-CB 3.85Å; T117-L140 HydrophobicContact CG2-CD2 4.38Å; T117-M143 HydrophobicContact CG2-SD 4.26Å
118A96.3Very high97.7Very high60 Ų6041.2 Ų41.250%0.49622%0.224SC..G310 helixtrans-85.1-3.5176.100000113.4Q115 L116 P120Q115-A118 PolarHBondContact O-N 3Å; L116-A118 PolarHBondContact O-N 3.12Å; A118-P120 WeakPolarHBondContact O-CD 3.36Å
119L97.8Very high97.7Very high2 Ų242.5 Ų42.51%0.0123%0.23CC..  trans-87.4113.7-176.2-66.4-179.5000111V93 L96 L99 L116 T117 A121 L122V93-L119 WeakPolarHBondContact O-CD2 3.42Å; L96-L119 HydrophobicContact CB-CD2 4.41Å; L96-L119 WeakPolarHBondContact O-CD2 3.14Å; L99-L119 HydrophobicContact CB-CD1 4.32Å; L99-L119 HydrophobicContact CD2-CD1 3.84Å; L116-L119 HydrophobicContact CD2-CD1 3.98Å; L116-L119 WeakPolarHBondContact O-CB 3.33Å; L116-L119 PolarHBondContact O-N 3.23Å; T117-L119 VanDerWaalsContact C-N 3.32Å; L119-A121 VanDerWaalsContact C-N 3.31Å; L119-A121 PolarHBondContact O-N 3.45Å; L119-L122 HydrophobicContact CB-CB 3.82Å; L119-L122 HydrophobicContact CB-CD2 4.32Å; L119-L122 HydrophobicContact CD1-CD2 4.09Å
120P97Very high97.7Very high58 Ų5842.9 Ų42.938%0.37723%0.233SC..THydrogen-bonded Turntrans-74.1-23-170.730.1-36.4000113.4A118 A145A118-P120 WeakPolarHBondContact O-CD 3.36Å; P120-A145 WeakPolarHBondContact O-CB 3.47Å
121A98.3Very high97.8Very high27 Ų2741.5 Ų41.522%0.22323%0.226CC..THydrogen-bonded Turntrans-101.60.4-176.400000113.6Q97 L99 K100 L119 E123Q97-A121 WeakPolarHBondContact O-CB 3.26Å; L99-A121 CarbonylContact O-C 3.14Å; K100-A121 WeakPolarHBondContact CA-O 3.38Å; L119-A121 VanDerWaalsContact C-N 3.31Å; L119-A121 PolarHBondContact O-N 3.45Å; A121-E123 WeakPolarHBondContact O-CG 3.42Å; A121-E123 PolarHBondContact O-N 3.29Å
122L98.6Very high97.8Very high0 Ų035.3 Ų35.30%019%0.193CC..  trans-74.6117.6-171.7-16665.6000110.7L99 I102 L116 L119 I125 M143 A145 L146L99-L122 HydrophobicContact CB-CD1 4.47Å; L99-L122 HydrophobicContact CD2-CD1 4.06Å; L99-L122 HydrophobicContact CG-CD1 4.03Å; L99-L122 VanDerWaalsContact O-CA 3.24Å; L99-L122 WeakPolarHBondContact O-CA 3.45Å; L99-L122 PolarHBondContact O-N 3.24Å; I102-L122 HydrophobicContact CG2-CD1 4.18Å; I102-L122 HydrophobicContact CG2-CD2 4.41Å; L116-L122 HydrophobicContact CB-CD2 3.95Å; L116-L122 HydrophobicContact CD2-CD2 4.39Å; L119-L122 HydrophobicContact CB-CB 3.82Å; L119-L122 HydrophobicContact CB-CD2 4.32Å; L119-L122 HydrophobicContact CD1-CD2 4.09Å; L122-I125 HydrophobicContact CD2-CD1 3.7Å; L122-I125 HydrophobicContact CD2-CG1 3.6Å; L122-I125 HydrophobicContact CG-CD1 4.47Å; L122-I125 HydrophobicContact CG-CG1 4.03Å; L122-M143 HydrophobicContact CB-CE 3.97Å; L122-M143 HydrophobicContact CD2-CE 4.06Å; L122-M143 HydrophobicContact CG-CE 4.39Å; L122-A145 CarbonylContact O-C 3.45Å; L122-L146 WeakPolarHBondContact O-CA 3.42Å; L122-L146 PolarHBondContact O-N 3.35Å
123E98.4Very high97.8Very high43 Ų4338.2 Ų38.220%0.20121%0.211CC..  trans-104.1-34.2-174.6-50.9-171-14700111.9K100 A121 A145 R147 S148K100-E123 HydrophobicContact CB-CG 4.41Å; K100-E123 IonicContact NZ-OE1 2.81Å; K100-E123 PolarHBondContact NZ-OE1 3.48Å; K100-E123 WeakPolarHBondContact O-CA 3.37Å; K100-E123 PolarHBondContact O-N 2.66Å; A121-E123 WeakPolarHBondContact O-CG 3.42Å; A121-E123 PolarHBondContact O-N 3.29Å; E123-A145 WeakPolarHBondContact CA-O 3.47Å; E123-A145 HydrophobicContact CG-CB 4.4Å; E123-R147 HydrophobicContact CB-CG 4.35Å; E123-R147 WeakPolarHBondContact O-CA 3.32Å; E123-R147 WeakPolarHBondContact O-CB 3.47Å; E123-R147 PolarHBondContact O-N 2.95Å; E123-R147 IonicContact OE2-CZ 3.36Å; E123-R147 IonicContact OE2-NE 3.94Å; E123-R147 PolarHBondContact OE2-NE 2.84Å; E123-S148 PolarHBondContact O-N 3.32Å
124T98.6Very high97.7Very high57 Ų5742.3 Ų42.335%0.3523%0.233SC..EExtended strand (participates in β ladder)trans-134.9130.6-175.8-55.20000111.9K100 A101 I102 S148K100-T124 PolarHBondContact O-N 2.98Å; A101-T124 WeakPolarHBondContact CA-O 3.47Å; I102-T124 PolarHBondContact N-O 3.01Å; T124-S148 WeakPolarHBondContact CA-O 3.2Å
125I98.6Very high97.7Very high0 Ų038.4 Ų38.40%022%0.215CC..EExtended strand (participates in β ladder)trans-125.5118.4173.9-56.3172.7000108.5I102 F112 L116 L122 L127 M143 L146 S148 I149 N150I102-I125 HydrophobicContact CG2-CB 4.48Å; I102-I125 HydrophobicContact CG2-CG1 4.26Å; I102-I125 HydrophobicContact CG2-CG2 4.31Å; F112-I125 HydrophobicContact CZ-CD1 4.26Å; L116-I125 HydrophobicContact CB-CD1 4.43Å; L116-I125 HydrophobicContact CD1-CD1 4.38Å; L116-I125 HydrophobicContact CD1-CG2 4.12Å; L122-I125 HydrophobicContact CD2-CD1 3.7Å; L122-I125 HydrophobicContact CD2-CG1 3.6Å; L122-I125 HydrophobicContact CG-CD1 4.47Å; L122-I125 HydrophobicContact CG-CG1 4.03Å; I125-L127 HydrophobicContact CG2-CD1 3.71Å; I125-L127 HydrophobicContact CG2-CG 3.9Å; I125-M143 HydrophobicContact CD1-CE 4.35Å; I125-L146 HydrophobicContact CD1-CD1 3.9Å; I125-L146 HydrophobicContact CD1-CD2 4.42Å; I125-L146 HydrophobicContact CG1-CD1 3.93Å; I125-S148 PolarHBondContact N-O 3.49Å; I125-I149 HydrophobicContact CB-CG1 4.14Å; I125-I149 HydrophobicContact CG2-CG1 4.37Å; I125-I149 VanDerWaalsContact O-CA 3.31Å; I125-I149 WeakPolarHBondContact O-CA 3.34Å; I125-N150 PolarHBondContact O-N 3.18Å
126N98.8Very high97.6Very high28 Ų2836 Ų3615%0.1521%0.206CC..EExtended strand (participates in β ladder)trans-105.4118170.1-171.28.2000110I102 D103 L104 S105 E128 N150I102-N126 PolarHBondContact O-N 3.23Å; D103-N126 HydrophobicContact CB-CB 4.37Å; D103-N126 PolarHBondContact OD1-ND2 2.82Å; D103-N126 PolarHBondContact OD2-ND2 2.97Å; L104-N126 CarbonylContact C-O 3.35Å; L104-N126 WeakPolarHBondContact CA-O 3.24Å; L104-N126 WeakPolarHBondContact CB-O 3.5Å; L104-N126 PolarHBondContact N-O 3.39Å; S105-N126 PolarHBondContact N-O 2.8Å; N126-E128 VanDerWaalsContact OD1-CB 3.29Å; N126-E128 WeakPolarHBondContact OD1-CB 3.4Å; N126-E128 PolarHBondContact OD1-N 3.26Å; N126-E128 VanDerWaalsContact OD1-N 3.13Å; N126-N150 WeakPolarHBondContact OD1-CB 3.2Å; N126-N150 PolarHBondContact OD1-ND2 3.42Å
127L98.6Very high97.4Very high0 Ų036.7 Ų36.70%021%0.21CC..  trans-125.618.2177.4-77.8162.7000110.9L104 F112 P113 I125 N130 I132 N150 L151 N154L104-L127 HydrophobicContact CB-CD2 3.7Å; L104-L127 HydrophobicContact CD1-CD2 3.79Å; L104-L127 HydrophobicContact CG-CD2 4.41Å; F112-L127 HydrophobicContact CD2-CD1 3.6Å; F112-L127 HydrophobicContact CE2-CD1 3.45Å; F112-L127 VanDerWaalsContact CE2-CD1 3.45Å; F112-L127 HydrophobicContact CZ-CD1 4.47Å; P113-L127 HydrophobicContact CG-CD1 4.5Å; P113-L127 HydrophobicContact CG-CD2 4.37Å; I125-L127 HydrophobicContact CG2-CD1 3.71Å; I125-L127 HydrophobicContact CG2-CG 3.9Å; L127-N130 PolarHBondContact O-ND2 3.29Å; L127-I132 HydrophobicContact CB-CD1 4.11Å; L127-I132 HydrophobicContact CD1-CD1 3.9Å; L127-I132 HydrophobicContact CD2-CD1 3.91Å; L127-I132 HydrophobicContact CG-CD1 4.2Å; L127-N150 CarbonylContact C-O 3.49Å; L127-N150 WeakPolarHBondContact CA-O 3.31Å; L127-N150 PolarHBondContact N-O 2.93Å; L127-L151 HydrophobicContact CB-CD2 3.97Å; L127-L151 HydrophobicContact CD1-CD2 4.05Å; L127-N154 PolarHBondContact O-ND2 3.32Å
128E98.7Very high97.2Very high45 Ų4542.9 Ų42.921%0.2124%0.237CC..  trans-53.2142.4178.2-178.9174.9-119.600112S105 R106 N126 N130 N150 R152 F153S105-E128 CarbonylContact C-O 3.16Å; S105-E128 WeakPolarHBondContact CA-O 3.37Å; S105-E128 VanDerWaalsContact CB-O 3.31Å; S105-E128 WeakPolarHBondContact CB-O 3.46Å; R106-E128 PolarHBondContact N-O 3.37Å; N126-E128 VanDerWaalsContact OD1-CB 3.29Å; N126-E128 WeakPolarHBondContact OD1-CB 3.4Å; N126-E128 PolarHBondContact OD1-N 3.26Å; N126-E128 VanDerWaalsContact OD1-N 3.13Å; E128-N130 PolarHBondContact O-ND2 2.89Å; E128-N150 PolarHBondContact N-O 3.24Å; E128-R152 CarbonylContact C-O 3.59Å; E128-R152 VanDerWaalsContact CA-O 3.26Å; E128-R152 WeakPolarHBondContact CA-O 3.3Å; E128-R152 HydrophobicContact CG-CB 4.08Å; E128-R152 IonicContact OE1-NE 2.76Å; E128-F153 HydrophobicContact CG-CD2 3.68Å; E128-F153 HydrophobicContact CG-CE2 4.41Å; E128-F153 WeakPolarHBondContact OE1-CE2 3.25Å
129E98.6Very high97.2Very high108 Ų10844.4 Ų44.451%0.50523%0.232SC..SBendtrans57.760.5175.2-160.5177.2169.500111.9R106 N107 R152 F153R106-E129 VanDerWaalsContact CA-O 3.27Å; R106-E129 WeakPolarHBondContact CA-O 3.23Å; R106-E129 HydrophobicContact CG-CB 4Å; R106-E129 HydrophobicContact CG-CG 4.24Å; R106-E129 VanDerWaalsContact CG-OE2 3.22Å; R106-E129 WeakPolarHBondContact CG-OE2 3.32Å; R106-E129 PolarHBondContact N-O 3.2Å; N107-E129 PolarHBondContact N-O 2.94Å; E129-R152 PolarHBondContact N-O 3.18Å; E129-F153 WeakPolarHBondContact CA-O 3.38Å; E129-F153 HydrophobicContact CB-CB 4.24Å
130N98.8Very high97Very high10 Ų1044.3 Ų44.35%0.05323%0.232CC..SBendtrans-129.1-169.6171.3-82.8-83.2000109.1L104 N107 Q108 F109 L127 E128 I132 N154L104-N130 PolarHBondContact O-ND2 3.24Å; N107-N130 WeakPolarHBondContact CA-OD1 3.39Å; N107-N130 WeakPolarHBondContact CB-OD1 3.28Å; N107-N130 PolarHBondContact N-OD1 3.41Å; N107-N130 PolarHBondContact O-OD1 3.42Å; Q108-N130 PolarHBondContact N-OD1 3.37Å; F109-N130 HydrophobicContact CB-CB 4.25Å; F109-N130 WeakPolarHBondContact CD2-OD1 3.27Å; F109-N130 PolarHBondContact N-OD1 3.17Å; L127-N130 PolarHBondContact O-ND2 3.29Å; E128-N130 PolarHBondContact O-ND2 2.89Å; N130-I132 HydrophobicContact CB-CD1 4.46Å; N130-I132 HydrophobicContact CB-CG1 4.23Å; N130-N154 VanDerWaalsContact CA-OD1 3.32Å; N130-N154 WeakPolarHBondContact CA-OD1 3.48Å; N130-N154 WeakPolarHBondContact CB-OD1 3.41Å; N130-N154 PolarHBondContact N-OD1 3.14Å; N130-N154 PolarHBondContact O-OD1 2.83Å
131E98.3Very high96.8Very high89 Ų8943.7 Ų43.742%0.41623%0.231SC..  trans-109.924-177.5-63.7175.7-161.100112.1F109 Q110 V133 N154F109-E131 CarbonylContact O-C 3.13Å; F109-E131 VanDerWaalsContact O-CA 3.25Å; F109-E131 WeakPolarHBondContact O-CA 3.21Å; F109-E131 PolarHBondContact O-N 3.24Å; Q110-E131 HydrophobicContact CG-CB 3.86Å; Q110-E131 WeakPolarHBondContact CG-OE2 3.49Å; Q110-E131 PolarHBondContact NE2-OE2 2.73Å; E131-V133 PolarHBondContact O-N 2.97Å; E131-N154 PolarHBondContact N-OD1 3.34Å
132I98.1Very high96.7Very high0 Ų046.1 Ų46.10%025%0.252CS..  trans-71.8125.4-172.8-59.7176.2000111.1F109 Q110 F112 L127 N130 D134 V135 L151 N154 P155 L156F109-I132 HydrophobicContact CB-CD1 4.17Å; F109-I132 HydrophobicContact CB-CG1 4.06Å; F109-I132 VanDerWaalsContact O-CG1 3.3Å; F109-I132 WeakPolarHBondContact O-CG1 3.48Å; F109-I132 PolarHBondContact O-N 3.16Å; F109-I132 VanDerWaalsContact O-N 3.14Å; Q110-I132 WeakPolarHBondContact O-CA 3.32Å; F112-I132 HydrophobicContact CB-CG2 4.49Å; L127-I132 HydrophobicContact CB-CD1 4.11Å; L127-I132 HydrophobicContact CD1-CD1 3.9Å; L127-I132 HydrophobicContact CD2-CD1 3.91Å; L127-I132 HydrophobicContact CG-CD1 4.2Å; N130-I132 HydrophobicContact CB-CD1 4.46Å; N130-I132 HydrophobicContact CB-CG1 4.23Å; I132-D134 WeakPolarHBondContact CG2-O 3.44Å; I132-V135 HydrophobicContact CG2-CG1 4.04Å; I132-L151 HydrophobicContact CD1-CD2 4.4Å; I132-N154 HydrophobicContact CB-CB 4.29Å; I132-N154 VanDerWaalsContact CB-OD1 3.31Å; I132-N154 WeakPolarHBondContact CB-OD1 3.36Å; I132-N154 PolarHBondContact N-OD1 3.01Å; I132-P155 CarbonylContact O-C 3.16Å; I132-P155 WeakPolarHBondContact O-CD 3.31Å; I132-L156 HydrophobicContact CG2-CD2 4.05Å; I132-L156 PolarHBondContact O-N 3.29Å
133V96.6Very high96.5Very high72 Ų7246.9 Ų46.944%0.43626%0.255SS..  trans-98.3-31.1177.4-178.30000112.2E131 P155 L156 N157E131-V133 PolarHBondContact O-N 2.97Å; V133-P155 HydrophobicContact CG2-CG 4.12Å; V133-L156 WeakPolarHBondContact O-CA 3.36Å; V133-N157 HydrophobicContact CG1-CB 4.12Å; V133-N157 PolarHBondContact O-N 2.85Å; V133-N157 PolarHBondContact O-ND2 3.02Å
134D95.6Very high96.3Very high92 Ų9250 Ų5049%0.49228%0.279SS..  trans-140.5155.3-173.8-158.82.6000112.2I132 V160I132-D134 WeakPolarHBondContact CG2-O 3.44Å; D134-V160 WeakPolarHBondContact OD1-CG2 3.23Å
135V95.4Very high96.3Very high9 Ų948.7 Ų48.76%0.05527%0.274CS..  trans-138.4145.6179.7-560000111.4F112 I132 V137 L140 L151 L156 V160F112-V135 HydrophobicContact CB-CG1 4.34Å; F112-V135 HydrophobicContact CD2-CB 4.43Å; F112-V135 HydrophobicContact CD2-CG1 4.12Å; I132-V135 HydrophobicContact CG2-CG1 4.04Å; V135-V137 VanDerWaalsContact C-N 3.31Å; V135-V137 HydrophobicContact CG2-CG2 3.88Å; V135-V137 PolarHBondContact O-N 3.21Å; V135-L140 HydrophobicContact CB-CD1 4.05Å; V135-L140 HydrophobicContact CG2-CD1 4.13Å; V135-L151 HydrophobicContact CG1-CD1 3.9Å; V135-L151 HydrophobicContact CG1-CD2 4.1Å; V135-L156 HydrophobicContact CG1-CD2 4.05Å; V135-V160 HydrophobicContact CG2-CG1 3.56Å; V135-V160 HydrophobicContact CG2-CG2 4.18Å
136P95.2Very high96.2Very high21 Ų2149.3 Ų49.314%0.13628%0.277CS..  trans-7978.218034-37.1000111F112 E114 T117 E138 K139 L140F112-P136 VanDerWaalsContact CD1-CD 3.42Å; F112-P136 HydrophobicContact CD1-CG 3.61Å; F112-P136 HydrophobicContact CE1-CG 4.02Å; F112-P136 HydrophobicContact CG-CG 4.24Å; E114-P136 HydrophobicContact CG-CG 4.3Å; T117-P136 HydrophobicContact CG2-CG 4.19Å; P136-E138 VanDerWaalsContact C-N 3.32Å; P136-E138 PolarHBondContact O-N 3.11Å; P136-K139 HydrophobicContact CB-CB 4.1Å; P136-K139 HydrophobicContact CB-CD 3.96Å; P136-K139 HydrophobicContact CB-CG 4.19Å; P136-K139 HydrophobicContact CG-CB 4.45Å; P136-K139 PolarHBondContact O-N 2.9Å; P136-K139 VanDerWaalsContact O-N 3.09Å; P136-L140 HydrophobicContact CG-CG 4.45Å; P136-L140 WeakPolarHBondContact O-CG 3.41Å; P136-L140 PolarHBondContact O-N 3.22Å
137V92.9Very high96.1Very high15 Ų1555.7 Ų55.79%0.09130%0.299CS..Hα-helixtrans-52.6-45.9-172.6-179.30000112.7V135 K139 L140 A141 I163 A164 L167 I168V135-V137 VanDerWaalsContact C-N 3.31Å; V135-V137 HydrophobicContact CG2-CG2 3.88Å; V135-V137 PolarHBondContact O-N 3.21Å; V137-K139 PolarHBondContact O-N 3.37Å; V137-L140 PolarHBondContact O-N 3.35Å; V137-A141 WeakPolarHBondContact O-CB 3.42Å; V137-A141 PolarHBondContact O-N 2.96Å; V137-I163 HydrophobicContact CG1-CG2 4.33Å; V137-A164 HydrophobicContact CG1-CB 4.3Å; V137-A164 HydrophobicContact CG2-CB 3.9Å; V137-L167 HydrophobicContact CG1-CB 3.84Å; V137-L167 HydrophobicContact CG1-CD1 3.69Å; V137-L167 HydrophobicContact CG1-CG 4.36Å; V137-I168 HydrophobicContact CG1-CD1 4.42Å
138E93Very high96Very high165 Ų16557.1 Ų57.177%0.77131%0.309SS*.Hα-helixtrans-63.6-41.2-179.4-64.3-176.7172.900112.4P136 A142P136-E138 VanDerWaalsContact C-N 3.32Å; P136-E138 PolarHBondContact O-N 3.11Å; E138-A142 WeakPolarHBondContact O-CB 3.35Å; E138-A142 PolarHBondContact O-N 3.44Å; E138-A142 VanDerWaalsContact O-N 3.14Å
139K95.3Very high96Very high92 Ų9255 Ų5540%0.430%0.299SS..Hα-helixtrans-67.8-42.8177.9-62.8-178.5-174.8160.20110.7E114 T117 P136 V137 A142 M143E114-K139 IonicContact OE1-NZ 3.93Å; E114-K139 PolarHBondContact OE1-NZ 2.85Å; E114-K139 IonicContact OE2-NZ 3.79Å; E114-K139 PolarHBondContact OE2-NZ 3.28Å; T117-K139 HydrophobicContact CG2-CB 3.85Å; P136-K139 HydrophobicContact CB-CB 4.1Å; P136-K139 HydrophobicContact CB-CD 3.96Å; P136-K139 HydrophobicContact CB-CG 4.19Å; P136-K139 HydrophobicContact CG-CB 4.45Å; P136-K139 PolarHBondContact O-N 2.9Å; P136-K139 VanDerWaalsContact O-N 3.09Å; V137-K139 PolarHBondContact O-N 3.37Å; K139-A142 PolarHBondContact O-N 3.47Å; K139-M143 WeakPolarHBondContact O-CG 3.43Å; K139-M143 PolarHBondContact O-N 3.05Å
140L94.8Very high96Very high0 Ų050.9 Ų50.90%028%0.281CS..Hα-helixtrans-60.7-45.8176.3-73.9171.8000111.5F112 T117 V135 P136 V137 A142 M143 L146 I149 I168 F170F112-L140 HydrophobicContact CE1-CD2 4.33Å; F112-L140 HydrophobicContact CE2-CD1 4.48Å; F112-L140 HydrophobicContact CE2-CD2 4.15Å; F112-L140 HydrophobicContact CZ-CD2 3.69Å; T117-L140 HydrophobicContact CG2-CD2 4.38Å; V135-L140 HydrophobicContact CB-CD1 4.05Å; V135-L140 HydrophobicContact CG2-CD1 4.13Å; P136-L140 HydrophobicContact CG-CG 4.45Å; P136-L140 WeakPolarHBondContact O-CG 3.41Å; P136-L140 PolarHBondContact O-N 3.22Å; V137-L140 PolarHBondContact O-N 3.35Å; L140-A142 PolarHBondContact O-N 3.18Å; L140-M143 HydrophobicContact CD2-SD 3.89Å; L140-M143 WeakPolarHBondContact O-CB 3.46Å; L140-M143 PolarHBondContact O-N 3.12Å; L140-M143 VanDerWaalsContact O-N 3.13Å; L140-L146 HydrophobicContact CD2-CD2 3.94Å; L140-I149 HydrophobicContact CD1-CD1 4.1Å; L140-I149 HydrophobicContact CD2-CD1 4.11Å; L140-I168 HydrophobicContact CB-CD1 4.44Å; L140-F170 HydrophobicContact CB-CZ 4.34Å; L140-F170 WeakPolarHBondContact O-CE1 3.47Å
141A92.8Very high95.9Very high44 Ų4450.4 Ų50.436%0.36428%0.278SS..Hα-helixtrans-63.6-25.9177.400000113.2V137 L167V137-A141 WeakPolarHBondContact O-CB 3.42Å; V137-A141 PolarHBondContact O-N 2.96Å; A141-L167 WeakPolarHBondContact CB-O 3.37Å
142A94.8Very high95.8Very high79 Ų7951.3 Ų51.365%0.65328%0.278SS*.THydrogen-bonded Turntrans-85.2-6.8177.200000114E138 K139 L140E138-A142 WeakPolarHBondContact O-CB 3.35Å; E138-A142 PolarHBondContact O-N 3.44Å; E138-A142 VanDerWaalsContact O-N 3.14Å; K139-A142 PolarHBondContact O-N 3.47Å; L140-A142 PolarHBondContact O-N 3.18Å
143M95.8Very high95.8Very high15 Ų1557.7 Ų57.77%0.07431%0.306CS..  trans-68.2122.5-179.5-69.7-17865.700110.7T117 L122 I125 K139 L140 A145 L146T117-M143 HydrophobicContact CG2-SD 4.26Å; L122-M143 HydrophobicContact CB-CE 3.97Å; L122-M143 HydrophobicContact CD2-CE 4.06Å; L122-M143 HydrophobicContact CG-CE 4.39Å; I125-M143 HydrophobicContact CD1-CE 4.35Å; K139-M143 WeakPolarHBondContact O-CG 3.43Å; K139-M143 PolarHBondContact O-N 3.05Å; L140-M143 HydrophobicContact CD2-SD 3.89Å; L140-M143 WeakPolarHBondContact O-CB 3.46Å; L140-M143 PolarHBondContact O-N 3.12Å; L140-M143 VanDerWaalsContact O-N 3.13Å; M143-A145 PolarHBondContact O-N 2.63Å; M143-L146 HydrophobicContact CB-CB 3.66Å; M143-L146 HydrophobicContact CB-CD2 4.3Å; M143-L146 HydrophobicContact CE-CB 4.24Å; M143-L146 HydrophobicContact CE-CD1 4.24Å; M143-L146 HydrophobicContact CE-CD2 4.23Å; M143-L146 HydrophobicContact CE-CG 4.49Å; M143-L146 HydrophobicContact SD-CB 4.38Å; M143-L146 HydrophobicContact SD-CD2 3.62Å; M143-L146 HydrophobicContact SD-CG 4.44Å
144P94.1Very high95.9Very high109 Ų10954.6 Ų54.671%0.70829%0.287SS*.SBendtrans-73-27.1-167.927.7-35.5000113.7
145A96.9Very high96Very high29 Ų2953.8 Ų53.824%0.2429%0.287CS..SBendtrans-112.2-5.3-174.100000113.8P120 L122 E123 M143 R147P120-A145 WeakPolarHBondContact O-CB 3.47Å; L122-A145 CarbonylContact O-C 3.45Å; E123-A145 WeakPolarHBondContact CA-O 3.47Å; E123-A145 HydrophobicContact CG-CB 4.4Å; M143-A145 PolarHBondContact O-N 2.63Å; A145-R147 WeakPolarHBondContact O-CG 3.42Å; A145-R147 PolarHBondContact O-N 3.14Å
146L97.5Very high96Very high14 Ų1453.9 Ų53.97%0.07329%0.287CS..  trans-68.3126.6-172.4-169.263.7000110.8L122 I125 L140 M143 F170L122-L146 WeakPolarHBondContact O-CA 3.42Å; L122-L146 PolarHBondContact O-N 3.35Å; I125-L146 HydrophobicContact CD1-CD1 3.9Å; I125-L146 HydrophobicContact CD1-CD2 4.42Å; I125-L146 HydrophobicContact CG1-CD1 3.93Å; L140-L146 HydrophobicContact CD2-CD2 3.94Å; M143-L146 HydrophobicContact CB-CB 3.66Å; M143-L146 HydrophobicContact CB-CD2 4.3Å; M143-L146 HydrophobicContact CE-CB 4.24Å; M143-L146 HydrophobicContact CE-CD1 4.24Å; M143-L146 HydrophobicContact CE-CD2 4.23Å; M143-L146 HydrophobicContact CE-CG 4.49Å; M143-L146 HydrophobicContact SD-CB 4.38Å; M143-L146 HydrophobicContact SD-CD2 3.62Å; M143-L146 HydrophobicContact SD-CG 4.44Å; L146-F170 HydrophobicContact CB-CD1 4.19Å; L146-F170 HydrophobicContact CB-CE1 4.19Å; L146-F170 HydrophobicContact CD2-CD1 4.2Å; L146-F170 HydrophobicContact CD2-CD2 4.33Å; L146-F170 HydrophobicContact CD2-CE1 3.48Å; L146-F170 VanDerWaalsContact CD2-CE1 3.48Å; L146-F170 HydrophobicContact CD2-CE2 3.61Å; L146-F170 HydrophobicContact CD2-CZ 3.16Å; L146-F170 HydrophobicContact CG-CD1 4.13Å; L146-F170 HydrophobicContact CG-CD2 4.17Å; L146-F170 HydrophobicContact CG-CE1 3.92Å; L146-F170 HydrophobicContact CG-CE2 3.94Å; L146-F170 HydrophobicContact CG-CG 4.28Å; L146-F170 HydrophobicContact CG-CZ 3.84Å; L146-F170 WeakPolarHBondContact O-CB 2.98Å
147R96.6Very high95.9Very high162 Ų16255 Ų5561%0.61129%0.291SS*.  trans-117.3-29.7-176.9-62.2-179.6-175.7-84.6-4.9113.2E123 A145 F170 D171E123-R147 HydrophobicContact CB-CG 4.35Å; E123-R147 WeakPolarHBondContact O-CA 3.32Å; E123-R147 WeakPolarHBondContact O-CB 3.47Å; E123-R147 PolarHBondContact O-N 2.95Å; E123-R147 IonicContact OE2-CZ 3.36Å; E123-R147 IonicContact OE2-NE 3.94Å; E123-R147 PolarHBondContact OE2-NE 2.84Å; A145-R147 WeakPolarHBondContact O-CG 3.42Å; A145-R147 PolarHBondContact O-N 3.14Å; R147-F170 WeakPolarHBondContact O-CB 3.18Å; R147-D171 PolarHBondContact O-N 2.85Å
148S97.4Very high95.8Very high30 Ų3058 Ų5821%0.2132%0.318CS..EExtended strand (participates in β ladder)trans-149.1134.9-178.2179.60000111.9E123 T124 I125 D171E123-S148 PolarHBondContact O-N 3.32Å; T124-S148 WeakPolarHBondContact CA-O 3.2Å; I125-S148 PolarHBondContact N-O 3.49Å; S148-D171 CarbonylContact C-O 3.38Å; S148-D171 VanDerWaalsContact CA-O 3.23Å; S148-D171 WeakPolarHBondContact CA-O 3.11Å
149I97.4Very high95.7Very high0 Ų056.3 Ų56.30%031%0.31CS..EExtended strand (participates in β ladder)trans-127.3131.1165.1-164.4171.7000110.5F112 I125 L140 L151 F170 D171 M172 L173F112-I149 HydrophobicContact CE2-CD1 3.85Å; I125-I149 HydrophobicContact CB-CG1 4.14Å; I125-I149 HydrophobicContact CG2-CG1 4.37Å; I125-I149 VanDerWaalsContact O-CA 3.31Å; I125-I149 WeakPolarHBondContact O-CA 3.34Å; L140-I149 HydrophobicContact CD1-CD1 4.1Å; L140-I149 HydrophobicContact CD2-CD1 4.11Å; I149-L151 HydrophobicContact CD1-CD1 4.01Å; I149-L151 HydrophobicContact CD1-CD2 4.27Å; I149-L151 HydrophobicContact CD1-CG 4.07Å; I149-L151 HydrophobicContact CG1-CD1 4.37Å; I149-L151 HydrophobicContact CG1-CG 4.07Å; I149-L151 HydrophobicContact CG2-CD1 4.49Å; I149-F170 HydrophobicContact CB-CE2 3.94Å; I149-F170 HydrophobicContact CG2-CD2 4.41Å; I149-F170 HydrophobicContact CG2-CE2 3.56Å; I149-F170 HydrophobicContact CG2-CZ 4.42Å; I149-D171 PolarHBondContact N-O 3.39Å; I149-M172 HydrophobicContact CG2-CB 3.91Å; I149-M172 HydrophobicContact CG2-CE 3.4Å; I149-M172 VanDerWaalsContact CG2-CE 3.4Å; I149-M172 HydrophobicContact CG2-CG 3.87Å; I149-M172 WeakPolarHBondContact O-CA 3.1Å; I149-L173 PolarHBondContact O-N 3.4Å
150N98Very high95.4Very high21 Ų2152.2 Ų52.211%0.11229%0.293CS..EExtended strand (participates in β ladder)trans-110.1116.2171.5-172.75.5000110.1I125 N126 L127 E128 R152 L173I125-N150 PolarHBondContact O-N 3.18Å; N126-N150 WeakPolarHBondContact OD1-CB 3.2Å; N126-N150 PolarHBondContact OD1-ND2 3.42Å; L127-N150 CarbonylContact C-O 3.49Å; L127-N150 WeakPolarHBondContact CA-O 3.31Å; L127-N150 PolarHBondContact N-O 2.93Å; E128-N150 PolarHBondContact N-O 3.24Å; N150-R152 VanDerWaalsContact OD1-CB 3.32Å; N150-R152 WeakPolarHBondContact OD1-CB 3.09Å; N150-R152 WeakPolarHBondContact OD1-CD 3.3Å; N150-R152 WeakPolarHBondContact OD1-CG 3.41Å; N150-R152 PolarHBondContact OD1-N 3.1Å; N150-L173 HydrophobicContact CB-CB 4.4Å; N150-L173 HydrophobicContact CB-CD1 4.15Å
151L97.3Very high95.1Very high0 Ų056.8 Ų56.80%031%0.31CS..  trans-120.915.2176.8-64.7161.2000111.4L127 I132 V135 I149 N154 L156 M172 L173 M174L127-L151 HydrophobicContact CB-CD2 3.97Å; L127-L151 HydrophobicContact CD1-CD2 4.05Å; I132-L151 HydrophobicContact CD1-CD2 4.4Å; V135-L151 HydrophobicContact CG1-CD1 3.9Å; V135-L151 HydrophobicContact CG1-CD2 4.1Å; I149-L151 HydrophobicContact CD1-CD1 4.01Å; I149-L151 HydrophobicContact CD1-CD2 4.27Å; I149-L151 HydrophobicContact CD1-CG 4.07Å; I149-L151 HydrophobicContact CG1-CD1 4.37Å; I149-L151 HydrophobicContact CG1-CG 4.07Å; I149-L151 HydrophobicContact CG2-CD1 4.49Å; L151-N154 WeakPolarHBondContact O-CB 3.32Å; L151-N154 PolarHBondContact O-N 2.89Å; L151-N154 PolarHBondContact O-ND2 3.27Å; L151-L156 HydrophobicContact CB-CD1 3.92Å; L151-L156 HydrophobicContact CD1-CD1 4.23Å; L151-M172 HydrophobicContact CD1-CE 4.07Å; L151-L173 CarbonylContact C-O 3.12Å; L151-L173 WeakPolarHBondContact CA-O 3.41Å; L151-L173 PolarHBondContact N-O 2.74Å; L151-M174 HydrophobicContact CB-CG 4.13Å; L151-M174 HydrophobicContact CD1-CG 4.18Å; L151-M174 HydrophobicContact CD1-SD 4.29Å
152R97.4Very high94.8Very high109 Ų10960 Ų6041%0.41132%0.324SS..THydrogen-bonded Turntrans-54.3151.2176.8-70.3171.367.5105.14.3110.6E128 E129 N150 N154 L173E128-R152 CarbonylContact C-O 3.59Å; E128-R152 VanDerWaalsContact CA-O 3.26Å; E128-R152 WeakPolarHBondContact CA-O 3.3Å; E128-R152 HydrophobicContact CG-CB 4.08Å; E128-R152 IonicContact OE1-NE 2.76Å; E129-R152 PolarHBondContact N-O 3.18Å; N150-R152 VanDerWaalsContact OD1-CB 3.32Å; N150-R152 WeakPolarHBondContact OD1-CB 3.09Å; N150-R152 WeakPolarHBondContact OD1-CD 3.3Å; N150-R152 WeakPolarHBondContact OD1-CG 3.41Å; N150-R152 PolarHBondContact OD1-N 3.1Å; R152-N154 PolarHBondContact O-N 3.13Å; R152-N154 PolarHBondContact O-ND2 3.2Å; R152-L173 HydrophobicContact CG-CB 3.86Å; R152-L173 PolarHBondContact N-O 3.34Å
153F97.6Very high94.3Very high133 Ų13359.3 Ų59.358%0.58331%0.309SS*.THydrogen-bonded Turntrans5634179.6-48.8-62.2000113.9E128 E129E128-F153 HydrophobicContact CG-CD2 3.68Å; E128-F153 HydrophobicContact CG-CE2 4.41Å; E128-F153 WeakPolarHBondContact OE1-CE2 3.25Å; E129-F153 WeakPolarHBondContact CA-O 3.38Å; E129-F153 HydrophobicContact CB-CB 4.24Å
154N98.1Very high93.7Very high8 Ų858.6 Ų58.64%0.04331%0.306CS..SBendtrans-110.1148164.9-77-90.3000110.6L127 N130 E131 I132 L151 R152 L156 R161L127-N154 PolarHBondContact O-ND2 3.32Å; N130-N154 VanDerWaalsContact CA-OD1 3.32Å; N130-N154 WeakPolarHBondContact CA-OD1 3.48Å; N130-N154 WeakPolarHBondContact CB-OD1 3.41Å; N130-N154 PolarHBondContact N-OD1 3.14Å; N130-N154 PolarHBondContact O-OD1 2.83Å; E131-N154 PolarHBondContact N-OD1 3.34Å; I132-N154 HydrophobicContact CB-CB 4.29Å; I132-N154 VanDerWaalsContact CB-OD1 3.31Å; I132-N154 WeakPolarHBondContact CB-OD1 3.36Å; I132-N154 PolarHBondContact N-OD1 3.01Å; L151-N154 WeakPolarHBondContact O-CB 3.32Å; L151-N154 PolarHBondContact O-N 2.89Å; L151-N154 PolarHBondContact O-ND2 3.27Å; R152-N154 PolarHBondContact O-N 3.13Å; R152-N154 PolarHBondContact O-ND2 3.2Å; N154-L156 HydrophobicContact CB-CD2 4.35Å; N154-L156 HydrophobicContact CB-CG 4.05Å; N154-L156 PolarHBondContact O-N 3.17Å; N154-R161 PolarHBondContact O-NH2 3.41Å
155P97.1Very high93.3Very high75 Ų7556.6 Ų56.649%0.48729%0.293SS..  trans-7545.8175.235-37.9000112.8I132 V133 N157I132-P155 CarbonylContact O-C 3.16Å; I132-P155 WeakPolarHBondContact O-CD 3.31Å; V133-P155 HydrophobicContact CG2-CG 4.12Å; P155-N157 PolarHBondContact O-N 3.46Å
156L95.8Very high92.5Very high11 Ų1160.1 Ų60.16%0.05831%0.313CS..  trans-55.8132.3-179.8-64.9176.6000111I132 V133 V135 L151 N154 V160 R161 M174I132-L156 HydrophobicContact CG2-CD2 4.05Å; I132-L156 PolarHBondContact O-N 3.29Å; V133-L156 WeakPolarHBondContact O-CA 3.36Å; V135-L156 HydrophobicContact CG1-CD2 4.05Å; L151-L156 HydrophobicContact CB-CD1 3.92Å; L151-L156 HydrophobicContact CD1-CD1 4.23Å; N154-L156 HydrophobicContact CB-CD2 4.35Å; N154-L156 HydrophobicContact CB-CG 4.05Å; N154-L156 PolarHBondContact O-N 3.17Å; L156-V160 HydrophobicContact CD1-CG1 4.42Å; L156-V160 HydrophobicContact CD2-CG1 4.41Å; L156-R161 HydrophobicContact CB-CG 4.28Å; L156-R161 PolarHBondContact O-NE 2.64Å; L156-M174 HydrophobicContact CD1-CB 4.04Å; L156-M174 HydrophobicContact CD1-CG 3.73Å; L156-M174 HydrophobicContact CD1-SD 3.55Å; L156-M174 VanDerWaalsContact CD1-SD 3.55Å
157N93.5Very high91.6Very high43 Ų4363.6 Ų63.623%0.2333%0.331CS..  trans-59.4155.6175.570.732.5000110.9V133 P155 E159 V160 R161V133-N157 HydrophobicContact CG1-CB 4.12Å; V133-N157 PolarHBondContact O-N 2.85Å; V133-N157 PolarHBondContact O-ND2 3.02Å; P155-N157 PolarHBondContact O-N 3.46Å; N157-E159 PolarHBondContact O-N 3.35Å; N157-E159 PolarHBondContact OD1-N 2.87Å; N157-V160 WeakPolarHBondContact OD1-CB 3.44Å; N157-V160 WeakPolarHBondContact OD1-CG2 3.31Å; N157-V160 PolarHBondContact OD1-N 3.24Å; N157-R161 PolarHBondContact O-N 3.09Å
158A91.1Very high90.9Very high78 Ų7856.6 Ų56.665%0.64531%0.306SS*.Hα-helixtrans-64.4-29.4-177.600000112.4R161 V162A158-R161 PolarHBondContact O-N 2.96Å; A158-V162 WeakPolarHBondContact O-CG2 3.39Å; A158-V162 PolarHBondContact O-N 2.95Å
159E90.4Very high90.4Very high131 Ų13165 Ų6561%0.61234%0.339SS*.Hα-helixtrans-66.9-48.3-178.5-176.5168.5-170.300112N157 R161 V162 I163N157-E159 PolarHBondContact O-N 3.35Å; N157-E159 PolarHBondContact OD1-N 2.87Å; E159-R161 VanDerWaalsContact C-N 3.28Å; E159-R161 PolarHBondContact O-N 3.36Å; E159-V162 PolarHBondContact O-N 3.42Å; E159-I163 HydrophobicContact CG-CD1 3.47Å; E159-I163 VanDerWaalsContact CG-CD1 3.47Å; E159-I163 HydrophobicContact CG-CG1 4.2Å; E159-I163 WeakPolarHBondContact O-CB 3.35Å; E159-I163 WeakPolarHBondContact O-CG1 3.36Å; E159-I163 PolarHBondContact O-N 3.34Å
160V89.1Confident89.9Confident5 Ų566.4 Ų66.43%0.0335%0.345CS..Hα-helixtrans-56.8-43.3173.9164.90000110.9D134 V135 L156 N157 V162 I163 A164 M174D134-V160 WeakPolarHBondContact OD1-CG2 3.23Å; V135-V160 HydrophobicContact CG2-CG1 3.56Å; V135-V160 HydrophobicContact CG2-CG2 4.18Å; L156-V160 HydrophobicContact CD1-CG1 4.42Å; L156-V160 HydrophobicContact CD2-CG1 4.41Å; N157-V160 WeakPolarHBondContact OD1-CB 3.44Å; N157-V160 WeakPolarHBondContact OD1-CG2 3.31Å; N157-V160 PolarHBondContact OD1-N 3.24Å; V160-V162 PolarHBondContact O-N 3.42Å; V160-I163 PolarHBondContact O-N 3.29Å; V160-A164 HydrophobicContact CG1-CB 4.2Å; V160-A164 WeakPolarHBondContact O-CB 3.34Å; V160-A164 PolarHBondContact O-N 2.81Å; V160-M174 HydrophobicContact CG1-SD 4.2Å
161R88.1Confident89.5Confident97 Ų9771 Ų7137%0.36637%0.37SS..Hα-helixtrans-61.7-26179-67.9178.2177.1-78.8-3.7112.6N154 L156 N157 A158 E159 P165 M174N154-R161 PolarHBondContact O-NH2 3.41Å; L156-R161 HydrophobicContact CB-CG 4.28Å; L156-R161 PolarHBondContact O-NE 2.64Å; N157-R161 PolarHBondContact O-N 3.09Å; A158-R161 PolarHBondContact O-N 2.96Å; E159-R161 VanDerWaalsContact C-N 3.28Å; E159-R161 PolarHBondContact O-N 3.36Å; R161-P165 VanDerWaalsContact O-CD 3.31Å; R161-P165 WeakPolarHBondContact O-CD 3.39Å; R161-P165 WeakPolarHBondContact O-CG 3.31Å; R161-M174 PolarHBondContact NH1-OXT 2.77Å; R161-M174 PolarHBondContact NH2-OXT 2.81Å
162V86.3Confident89Confident110 Ų11072.9 Ų72.967%0.66738%0.379SS*.Hα-helixtrans-90-43.4177.2174.70000111.7A158 E159 V160 P166A158-V162 WeakPolarHBondContact O-CG2 3.39Å; A158-V162 PolarHBondContact O-N 2.95Å; E159-V162 PolarHBondContact O-N 3.42Å; V160-V162 PolarHBondContact O-N 3.42Å; V162-P166 VanDerWaalsContact O-CD 3.23Å; V162-P166 WeakPolarHBondContact O-CD 3.49Å
163I85.3Confident88.7Confident66 Ų6671.4 Ų71.434%0.33838%0.378SS..Hα-helixtrans-82.5-34.3-172.1-64.8-179.5000112.4V137 E159 V160 P166 L167V137-I163 HydrophobicContact CG1-CG2 4.33Å; E159-I163 HydrophobicContact CG-CD1 3.47Å; E159-I163 VanDerWaalsContact CG-CD1 3.47Å; E159-I163 HydrophobicContact CG-CG1 4.2Å; E159-I163 WeakPolarHBondContact O-CB 3.35Å; E159-I163 WeakPolarHBondContact O-CG1 3.36Å; E159-I163 PolarHBondContact O-N 3.34Å; V160-I163 PolarHBondContact O-N 3.29Å; I163-P166 VanDerWaalsContact O-CD 3.31Å; I163-P166 WeakPolarHBondContact O-CD 3.48Å; I163-P166 WeakPolarHBondContact O-CG 3.09Å; I163-L167 HydrophobicContact CG2-CD1 3.69Å; I163-L167 WeakPolarHBondContact O-CG 3.46Å
164A82.4Confident88Confident0 Ų067.9 Ų67.90%037%0.365CS..Hα-helixtrans-68.5-48.5-17400000113.8V137 V160 L167 I168 M172 M174V137-A164 HydrophobicContact CG1-CB 4.3Å; V137-A164 HydrophobicContact CG2-CB 3.9Å; V160-A164 HydrophobicContact CG1-CB 4.2Å; V160-A164 WeakPolarHBondContact O-CB 3.34Å; V160-A164 PolarHBondContact O-N 2.81Å; A164-L167 PolarHBondContact O-N 2.7Å; A164-I168 HydrophobicContact CB-CD1 4.03Å; A164-I168 VanDerWaalsContact O-CB 3.31Å; A164-I168 WeakPolarHBondContact O-CB 3.13Å; A164-I168 WeakPolarHBondContact O-CG1 3.44Å; A164-I168 PolarHBondContact O-N 3.17Å; A164-I168 VanDerWaalsContact O-N 3.1Å; A164-M172 HydrophobicContact CB-CE 4.11Å; A164-M172 HydrophobicContact CB-SD 3.64Å; A164-M174 HydrophobicContact CB-CE 4.14Å; A164-M174 HydrophobicContact CB-SD 4.4Å
165P85.6Confident87.5Confident67 Ų6770.9 Ų70.944%0.43538%0.381SS..Hα-helixtrans-56.8-44.7-176.9-23.634.5000115.5R161 L167 M174R161-P165 VanDerWaalsContact O-CD 3.31Å; R161-P165 WeakPolarHBondContact O-CD 3.39Å; R161-P165 WeakPolarHBondContact O-CG 3.31Å; P165-L167 VanDerWaalsContact C-N 3.31Å; P165-L167 PolarHBondContact O-N 2.96Å; P165-M174 HydrophobicContact CG-CE 3.7Å
166P81.1Confident87Confident103 Ų10370.6 Ų70.667%0.66938%0.375SS*.Hα-helixtrans-72-22.1-179.727.9-35.4000114V162 I163V162-P166 VanDerWaalsContact O-CD 3.23Å; V162-P166 WeakPolarHBondContact O-CD 3.49Å; I163-P166 VanDerWaalsContact O-CD 3.31Å; I163-P166 WeakPolarHBondContact O-CD 3.48Å; I163-P166 WeakPolarHBondContact O-CG 3.09Å
167L78.4Confident86.5Confident86 Ų8673.9 Ų73.945%0.4539%0.393SS..Hα-helixtrans-92-16.3-178.5-65.6-178.8000113V137 A141 I163 A164 P165V137-L167 HydrophobicContact CG1-CB 3.84Å; V137-L167 HydrophobicContact CG1-CD1 3.69Å; V137-L167 HydrophobicContact CG1-CG 4.36Å; A141-L167 WeakPolarHBondContact CB-O 3.37Å; I163-L167 HydrophobicContact CG2-CD1 3.69Å; I163-L167 WeakPolarHBondContact O-CG 3.46Å; A164-L167 PolarHBondContact O-N 2.7Å; P165-L167 VanDerWaalsContact C-N 3.31Å; P165-L167 PolarHBondContact O-N 2.96Å
168I82.5Confident86.1Confident15 Ų1575.8 Ų75.88%0.07740%0.402CS..  trans-103.8120.2-171.7-73.3176.6000110.6V137 L140 A164 F170 M172V137-I168 HydrophobicContact CG1-CD1 4.42Å; L140-I168 HydrophobicContact CB-CD1 4.44Å; A164-I168 HydrophobicContact CB-CD1 4.03Å; A164-I168 VanDerWaalsContact O-CB 3.31Å; A164-I168 WeakPolarHBondContact O-CB 3.13Å; A164-I168 WeakPolarHBondContact O-CG1 3.44Å; A164-I168 PolarHBondContact O-N 3.17Å; A164-I168 VanDerWaalsContact O-N 3.1Å; I168-F170 VanDerWaalsContact C-N 3.31Å; I168-F170 HydrophobicContact CB-CE1 4.35Å; I168-F170 HydrophobicContact CB-CZ 4.28Å; I168-F170 HydrophobicContact CD1-CZ 4.03Å; I168-F170 HydrophobicContact CG1-CE1 4.24Å; I168-F170 HydrophobicContact CG1-CZ 4.08Å; I168-F170 HydrophobicContact CG2-CD1 3.71Å; I168-F170 HydrophobicContact CG2-CD2 3.54Å; I168-F170 HydrophobicContact CG2-CE1 3.54Å; I168-F170 HydrophobicContact CG2-CE2 3.37Å; I168-F170 HydrophobicContact CG2-CG 3.68Å; I168-F170 HydrophobicContact CG2-CZ 3.34Å; I168-F170 WeakPolarHBondContact CG2-O 3.47Å; I168-M172 HydrophobicContact CD1-CE 3.04Å; I168-M172 HydrophobicContact CD1-SD 3.73Å; I168-M172 HydrophobicContact CG1-CE 4.38Å; I168-M172 HydrophobicContact CG2-CB 4.14Å; I168-M172 HydrophobicContact CG2-CE 4.46Å
169K85Confident85.8Confident208 Ų20875.6 Ų75.690%0.90439%0.387SS*.  trans-91.57.9-174.6-62.2179.5-178.61730113.6
170F88.2Confident85.5Confident29 Ų2971.9 Ų71.913%0.12737%0.372CS..SBendtrans-129.2169.9-172.362.1-107.1000109.9L140 L146 R147 I149 I168 M172L140-F170 HydrophobicContact CB-CZ 4.34Å; L140-F170 WeakPolarHBondContact O-CE1 3.47Å; L146-F170 HydrophobicContact CB-CD1 4.19Å; L146-F170 HydrophobicContact CB-CE1 4.19Å; L146-F170 HydrophobicContact CD2-CD1 4.2Å; L146-F170 HydrophobicContact CD2-CD2 4.33Å; L146-F170 HydrophobicContact CD2-CE1 3.48Å; L146-F170 VanDerWaalsContact CD2-CE1 3.48Å; L146-F170 HydrophobicContact CD2-CE2 3.61Å; L146-F170 HydrophobicContact CD2-CZ 3.16Å; L146-F170 HydrophobicContact CG-CD1 4.13Å; L146-F170 HydrophobicContact CG-CD2 4.17Å; L146-F170 HydrophobicContact CG-CE1 3.92Å; L146-F170 HydrophobicContact CG-CE2 3.94Å; L146-F170 HydrophobicContact CG-CG 4.28Å; L146-F170 HydrophobicContact CG-CZ 3.84Å; L146-F170 WeakPolarHBondContact O-CB 2.98Å; R147-F170 WeakPolarHBondContact O-CB 3.18Å; I149-F170 HydrophobicContact CB-CE2 3.94Å; I149-F170 HydrophobicContact CG2-CD2 4.41Å; I149-F170 HydrophobicContact CG2-CE2 3.56Å; I149-F170 HydrophobicContact CG2-CZ 4.42Å; I168-F170 VanDerWaalsContact C-N 3.31Å; I168-F170 HydrophobicContact CB-CE1 4.35Å; I168-F170 HydrophobicContact CB-CZ 4.28Å; I168-F170 HydrophobicContact CD1-CZ 4.03Å; I168-F170 HydrophobicContact CG1-CE1 4.24Å; I168-F170 HydrophobicContact CG1-CZ 4.08Å; I168-F170 HydrophobicContact CG2-CD1 3.71Å; I168-F170 HydrophobicContact CG2-CD2 3.54Å; I168-F170 HydrophobicContact CG2-CE1 3.54Å; I168-F170 HydrophobicContact CG2-CE2 3.37Å; I168-F170 HydrophobicContact CG2-CG 3.68Å; I168-F170 HydrophobicContact CG2-CZ 3.34Å; I168-F170 WeakPolarHBondContact CG2-O 3.47Å; F170-M172 PolarHBondContact O-N 3.37Å
171D88.3Confident85.2Confident118 Ų11876.7 Ų76.763%0.63140%0.397SS*.EExtended strand (participates in β ladder)trans-66.8120-174.7-67.7-28.3000110.2R147 S148 I149R147-D171 PolarHBondContact O-N 2.85Å; S148-D171 CarbonylContact C-O 3.38Å; S148-D171 VanDerWaalsContact CA-O 3.23Å; S148-D171 WeakPolarHBondContact CA-O 3.11Å; I149-D171 PolarHBondContact N-O 3.39Å
172M88.5Confident85Confident38 Ų3875.2 Ų75.219%0.18740%0.399CS..EExtended strand (participates in β ladder)trans-123.6120.2179.3170.3170.4-89.400109.5I149 L151 A164 I168 F170 M174I149-M172 HydrophobicContact CG2-CB 3.91Å; I149-M172 HydrophobicContact CG2-CE 3.4Å; I149-M172 VanDerWaalsContact CG2-CE 3.4Å; I149-M172 HydrophobicContact CG2-CG 3.87Å; I149-M172 WeakPolarHBondContact O-CA 3.1Å; L151-M172 HydrophobicContact CD1-CE 4.07Å; A164-M172 HydrophobicContact CB-CE 4.11Å; A164-M172 HydrophobicContact CB-SD 3.64Å; I168-M172 HydrophobicContact CD1-CE 3.04Å; I168-M172 HydrophobicContact CD1-SD 3.73Å; I168-M172 HydrophobicContact CG1-CE 4.38Å; I168-M172 HydrophobicContact CG2-CB 4.14Å; I168-M172 HydrophobicContact CG2-CE 4.46Å; F170-M172 PolarHBondContact O-N 3.37Å; M172-M174 HydrophobicContact CE-SD 4.38Å; M172-M174 HydrophobicContact CG-CE 4.04Å; M172-M174 HydrophobicContact CG-CG 3.75Å; M172-M174 HydrophobicContact CG-SD 4.1Å; M172-M174 HydrophobicContact SD-CE 3.46Å; M172-M174 WeakPolarHBondContact SD-CE 3.49Å; M172-M174 HydrophobicContact SD-CG 4.07Å; M172-M174 HydrophobicContact SD-SD 3.59Å
173L90.3Very high84.9Confident78 Ų7872.3 Ų72.341%0.40838%0.377SS..EExtended strand (participates in β ladder)trans-105.8123176.1-49.1176.3000108.3I149 N150 L151 R152I149-L173 PolarHBondContact O-N 3.4Å; N150-L173 HydrophobicContact CB-CB 4.4Å; N150-L173 HydrophobicContact CB-CD1 4.15Å; L151-L173 CarbonylContact C-O 3.12Å; L151-L173 WeakPolarHBondContact CA-O 3.41Å; L151-L173 PolarHBondContact N-O 2.74Å; R152-L173 HydrophobicContact CG-CB 3.86Å; R152-L173 PolarHBondContact N-O 3.34Å
174M83.5Confident84.9Confident59 Ų5972.8 Ų72.829%0.29138%0.38SS..  trans-139.80-179-67.9-166.9-65.100111.9L151 L156 V160 R161 A164 P165 M172L151-M174 HydrophobicContact CB-CG 4.13Å; L151-M174 HydrophobicContact CD1-CG 4.18Å; L151-M174 HydrophobicContact CD1-SD 4.29Å; L156-M174 HydrophobicContact CD1-CB 4.04Å; L156-M174 HydrophobicContact CD1-CG 3.73Å; L156-M174 HydrophobicContact CD1-SD 3.55Å; L156-M174 VanDerWaalsContact CD1-SD 3.55Å; V160-M174 HydrophobicContact CG1-SD 4.2Å; R161-M174 PolarHBondContact NH1-OXT 2.77Å; R161-M174 PolarHBondContact NH2-OXT 2.81Å; A164-M174 HydrophobicContact CB-CE 4.14Å; A164-M174 HydrophobicContact CB-SD 4.4Å; P165-M174 HydrophobicContact CG-CE 3.7Å; M172-M174 HydrophobicContact CE-SD 4.38Å; M172-M174 HydrophobicContact CG-CE 4.04Å; M172-M174 HydrophobicContact CG-CG 3.75Å; M172-M174 HydrophobicContact CG-SD 4.1Å; M172-M174 HydrophobicContact SD-CE 3.46Å; M172-M174 WeakPolarHBondContact SD-CE 3.49Å; M172-M174 HydrophobicContact SD-CG 4.07Å; M172-M174 HydrophobicContact SD-SD 3.59Å

Retrieved 174 of 174 residues in 44.4 ms (Link to these results)

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