A0A077ZPC6_TRITR Loading...

HHH 3 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZPC6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 364 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
1M89.9Confident93.5Very high40 Ų4089.9 Ų89.920%0.19744%0.437CS..  0-49.10-68.6-62.1-85.200112.3I3 N4 R5 A74 R75 Y247 D250 I251M1-I3 PolarHBondContact O-N 3.04Å; M1-N4 WeakPolarHBondContact O-CB 3.4Å; M1-N4 PolarHBondContact O-N 3.16Å; M1-R5 PolarHBondContact O-N 3.09Å; M1-R5 VanDerWaalsContact O-N 3.1Å; M1-A74 HydrophobicContact CG-CB 4.21Å; M1-A74 HydrophobicContact SD-CB 4.48Å; M1-R75 HydrophobicContact SD-CB 4.39Å; M1-Y247 HydrophobicContact CB-CD1 4.28Å; M1-Y247 HydrophobicContact CB-CD2 3.71Å; M1-Y247 HydrophobicContact CB-CE2 4.17Å; M1-Y247 HydrophobicContact CB-CG 3.78Å; M1-D250 HydrophobicContact CE-CB 3.78Å; M1-I251 HydrophobicContact CE-CG1 4.48Å
2A92.7Very high93.7Very high50 Ų5090.2 Ų90.241%0.41344%0.441SS..Hα-helixtrans-46.2-51.2177.500000114.9N4 R5 G6 Y247A2-N4 VanDerWaalsContact C-N 3.33Å; A2-N4 PolarHBondContact O-N 3.16Å; A2-R5 WeakPolarHBondContact O-CB 3.36Å; A2-R5 PolarHBondContact O-N 2.91Å; A2-R5 VanDerWaalsContact O-N 3.14Å; A2-G6 PolarHBondContact O-N 3.05Å; A2-Y247 HydrophobicContact CB-CE1 4.3Å; A2-Y247 WeakPolarHBondContact CB-OH 3.28Å
3I93.4Very high93.5Very high92 Ų9298.6 Ų98.647%0.47247%0.474SS..Hα-helixtrans-61.5-42-179.1-52.1170.3000111.2M1 R5 G6 V7 W67M1-I3 PolarHBondContact O-N 3.04Å; I3-R5 VanDerWaalsContact C-N 3.32Å; I3-R5 PolarHBondContact O-N 3.24Å; I3-G6 PolarHBondContact O-N 3.12Å; I3-V7 HydrophobicContact CG2-CG2 4.25Å; I3-V7 VanDerWaalsContact O-CG2 3.3Å; I3-V7 WeakPolarHBondContact O-CG2 3.44Å; I3-V7 PolarHBondContact O-N 2.97Å; I3-W67 HydrophobicContact CB-CH2 3.95Å; I3-W67 HydrophobicContact CD1-CH2 4.46Å; I3-W67 HydrophobicContact CG2-CH2 3.56Å; I3-W67 HydrophobicContact CG2-CZ2 4.15Å
4N92.4Very high93.2Very high43 Ų4397.1 Ų97.123%0.2346%0.464CS..Hα-helixtrans-58.6-44.4175.6-76.8-29.1000111.7M1 A2 V7 K8 W67 S71M1-N4 WeakPolarHBondContact O-CB 3.4Å; M1-N4 PolarHBondContact O-N 3.16Å; A2-N4 VanDerWaalsContact C-N 3.33Å; A2-N4 PolarHBondContact O-N 3.16Å; N4-V7 PolarHBondContact O-N 3.3Å; N4-K8 WeakPolarHBondContact O-CB 3.45Å; N4-K8 PolarHBondContact O-N 3.22Å; N4-W67 WeakPolarHBondContact OD1-CZ2 3.41Å; N4-W67 PolarHBondContact OD1-NE1 2.9Å; N4-S71 WeakPolarHBondContact ND2-CB 3.24Å; N4-S71 PolarHBondContact ND2-OG 2.88Å
5R92.8Very high92.7Very high76 Ų76102.3 Ų102.329%0.28749%0.488SS..Hα-helixtrans-63.5-44177.4-178.4176.2177.7153.9-11.2111.6M1 A2 I3 K8 R9 D250M1-R5 PolarHBondContact O-N 3.09Å; M1-R5 VanDerWaalsContact O-N 3.1Å; A2-R5 WeakPolarHBondContact O-CB 3.36Å; A2-R5 PolarHBondContact O-N 2.91Å; A2-R5 VanDerWaalsContact O-N 3.14Å; I3-R5 VanDerWaalsContact C-N 3.32Å; I3-R5 PolarHBondContact O-N 3.24Å; R5-K8 PolarHBondContact O-N 2.72Å; R5-R9 WeakPolarHBondContact O-CB 3.38Å; R5-R9 WeakPolarHBondContact O-CG 3.48Å; R5-R9 PolarHBondContact O-N 2.92Å; R5-D250 WeakPolarHBondContact CD-OD2 3.49Å; R5-D250 IonicContact NH1-OD2 3.62Å; R5-D250 PolarHBondContact NH1-OD2 3.18Å; R5-D250 VanDerWaalsContact NH1-OD2 3.14Å
6G95Very high92.4Very high8 Ų899.9 Ų99.98%0.08248%0.475CS..Hα-helixtrans-62.6-42.2177.500000112.7A2 I3 R9 K10 V11 L12A2-G6 PolarHBondContact O-N 3.05Å; I3-G6 PolarHBondContact O-N 3.12Å; G6-R9 CarbonylContact O-C 3.46Å; G6-R9 PolarHBondContact O-N 3.19Å; G6-K10 PolarHBondContact O-N 3.34Å; G6-K10 VanDerWaalsContact O-N 3.14Å; G6-V11 VanDerWaalsContact CA-CG2 3.5Å; G6-V11 VanDerWaalsContact O-CG2 3.23Å; G6-V11 WeakPolarHBondContact O-CG2 3.38Å; G6-V11 PolarHBondContact O-N 3.26Å; G6-L12 PolarHBondContact O-N 3.04Å; G6-L12 VanDerWaalsContact O-N 3.16Å
7V93.8Very high92.2Very high44 Ų44101.8 Ų101.827%0.26749%0.494SS..Hα-helixtrans-64.5-44.8174.3173.90000111.3I3 N4 R9 K10 L12 K14I3-V7 HydrophobicContact CG2-CG2 4.25Å; I3-V7 VanDerWaalsContact O-CG2 3.3Å; I3-V7 WeakPolarHBondContact O-CG2 3.44Å; I3-V7 PolarHBondContact O-N 2.97Å; N4-V7 PolarHBondContact O-N 3.3Å; V7-R9 VanDerWaalsContact C-N 3.3Å; V7-R9 PolarHBondContact O-N 3.32Å; V7-K10 PolarHBondContact O-N 2.97Å; V7-L12 WeakPolarHBondContact CA-O 3.48Å; V7-L12 HydrophobicContact CG2-CB 4.28Å; V7-K14 HydrophobicContact CG2-CB 4.04Å; V7-K14 HydrophobicContact CG2-CG 4.44Å
8K92.8Very high92Very high166 Ų16697.1 Ų97.172%0.72247%0.473SS*.Hα-helixtrans-61.1-38.8177.4-175179.1178.8-176.90112.1N4 R5 K10N4-K8 WeakPolarHBondContact O-CB 3.45Å; N4-K8 PolarHBondContact O-N 3.22Å; R5-K8 PolarHBondContact O-N 2.72Å; K8-K10 PolarHBondContact O-N 3.23Å
9R94.4Very high91.9Very high167 Ų16795.6 Ų95.663%0.6347%0.471SS*.THydrogen-bonded Turntrans-81.54.9176.2-69.8-174.3176.7-151.9-7.1113.7R5 G6 V7 V11R5-R9 WeakPolarHBondContact O-CB 3.38Å; R5-R9 WeakPolarHBondContact O-CG 3.48Å; R5-R9 PolarHBondContact O-N 2.92Å; G6-R9 CarbonylContact O-C 3.46Å; G6-R9 PolarHBondContact O-N 3.19Å; V7-R9 VanDerWaalsContact C-N 3.3Å; V7-R9 PolarHBondContact O-N 3.32Å; R9-V11 HydrophobicContact CB-CG2 4.17Å; R9-V11 PolarHBondContact O-N 2.89Å; R9-V11 VanDerWaalsContact O-N 3.13Å
10K94.7Very high91.5Very high193 Ų19397.8 Ų97.884%0.83948%0.481SS*.THydrogen-bonded Turntrans57.421-179-54.8-178.9-180178.60114.7G6 V7 K8G6-K10 PolarHBondContact O-N 3.34Å; G6-K10 VanDerWaalsContact O-N 3.14Å; V7-K10 PolarHBondContact O-N 2.97Å; K8-K10 PolarHBondContact O-N 3.23Å
11V96.8Very high91.6Very high110 Ų11095.6 Ų95.667%0.66748%0.475SS*.SBendtrans-91.9-18.1174.6-68.10000112.4G6 R9G6-V11 VanDerWaalsContact CA-CG2 3.5Å; G6-V11 VanDerWaalsContact O-CG2 3.23Å; G6-V11 WeakPolarHBondContact O-CG2 3.38Å; G6-V11 PolarHBondContact O-N 3.26Å; R9-V11 HydrophobicContact CB-CG2 4.17Å; R9-V11 PolarHBondContact O-N 2.89Å; R9-V11 VanDerWaalsContact O-N 3.13Å
12L95.9Very high91.8Very high93 Ų9397 Ų9749%0.48748%0.478SS..  trans-127.1150.9174.6-62.7178.1000110.5G6 V7G6-L12 PolarHBondContact O-N 3.04Å; G6-L12 VanDerWaalsContact O-N 3.16Å; V7-L12 WeakPolarHBondContact CA-O 3.48Å; V7-L12 HydrophobicContact CG2-CB 4.28Å
13K91.3Very high91.8Very high200 Ų20095.7 Ų95.787%0.8746%0.464SS*.  trans-112.4130.6166.9-171.9175.4179.2-179.70108.9
14K88.4Confident91.7Very high78 Ų7894.7 Ų94.734%0.33947%0.465SS..  trans-79.9132.2174.362.1178.4-173.51720110.1V7 N64 W67V7-K14 HydrophobicContact CG2-CB 4.04Å; V7-K14 HydrophobicContact CG2-CG 4.44Å; K14-N64 PolarHBondContact NZ-OD1 2.9Å; K14-W67 HydrophobicContact CD-CZ2 4.32Å
15Q86.8Confident91.8Very high175 Ų17597.9 Ų97.982%0.81848%0.478SS*.  trans-131.3141.7172.1-175.2170.3-5.300109.1
16F87.2Confident91.8Very high63 Ų6396.6 Ų96.628%0.27648%0.475SS..  trans-121.6117.5178.2-82.8-98.3000110.5R59 V63 W67F16-R59 PolarHBondContact O-NH2 3.21Å; F16-V63 HydrophobicContact CB-CB 4.49Å; F16-V63 HydrophobicContact CB-CG1 3.7Å; F16-V63 HydrophobicContact CB-CG2 3.92Å; F16-V63 HydrophobicContact CD1-CG1 3.89Å; F16-V63 HydrophobicContact CD1-CG2 4.49Å; F16-V63 HydrophobicContact CD2-CG1 3.19Å; F16-V63 HydrophobicContact CE1-CG1 4.18Å; F16-V63 HydrophobicContact CE2-CG1 3.53Å; F16-V63 HydrophobicContact CG-CB 4.39Å; F16-V63 HydrophobicContact CG-CG1 3.33Å; F16-V63 HydrophobicContact CG-CG2 4.24Å; F16-V63 HydrophobicContact CZ-CG1 3.96Å; F16-W67 HydrophobicContact CE1-CE3 4.28Å; F16-W67 HydrophobicContact CE2-CB 4.18Å; F16-W67 HydrophobicContact CE2-CD2 4.04Å; F16-W67 AromaticContact CE2-CE3 3.67Å; F16-W67 HydrophobicContact CE2-CE3 3.67Å; F16-W67 HydrophobicContact CE2-CG 4.34Å; F16-W67 HydrophobicContact CE2-CZ3 4.22Å; F16-W67 HydrophobicContact CZ-CB 3.74Å; F16-W67 AromaticContact CZ-CD2 3.85Å; F16-W67 HydrophobicContact CZ-CD2 3.85Å; F16-W67 AromaticContact CZ-CE3 3.25Å; F16-W67 HydrophobicContact CZ-CE3 3.25Å; F16-W67 HydrophobicContact CZ-CG 4.13Å; F16-W67 HydrophobicContact CZ-CZ3 4Å
17T89.6Confident91.7Very high132 Ų13298.6 Ų98.681%0.8148%0.483SS*.  trans-86.8112.1166.4-52.80000107.3
18V88.3Confident91.5Very high17 Ų1799 Ų9910%0.10349%0.491CS..  trans-100.2144174.8-59.70000108.7W22 R59 V63V18-W22 HydrophobicContact CB-CD2 4.28Å; V18-W22 HydrophobicContact CB-CE3 3.83Å; V18-W22 HydrophobicContact CB-CZ3 4.01Å; V18-W22 HydrophobicContact CG1-CE3 3.88Å; V18-W22 HydrophobicContact CG1-CH2 4.15Å; V18-W22 HydrophobicContact CG1-CZ3 3.56Å; V18-W22 HydrophobicContact CG2-CE3 4.47Å; V18-R59 HydrophobicContact CG2-CG 4.38Å; V18-R59 VanDerWaalsContact CG2-CZ 3.42Å; V18-V63 HydrophobicContact CG1-CG2 3.71Å
19P90.2Very high91.3Very high69 Ų6995.8 Ų95.845%0.44848%0.479SS..  trans-56.5144.1173.9-23.634.1000111.2S21 W22P19-S21 PolarHBondContact O-N 2.98Å; P19-W22 PolarHBondContact O-N 3.17Å
20Q84.8Confident91.1Very high140 Ų14089.2 Ų89.265%0.65446%0.457SS*.THydrogen-bonded Turntrans-62.5-26.8175.6-166.865.48.600111.6W22 L23Q20-W22 PolarHBondContact O-N 2.94Å; Q20-L23 PolarHBondContact O-N 2.49Å; Q20-L23 VanDerWaalsContact O-N 3.13Å
21S93.5Very high90.7Very high51 Ų5182.9 Ų82.936%0.35744%0.441SS..Hα-helixtrans-55.9-32.4178.176.30000112.8P19 L23 S24 E25P19-S21 PolarHBondContact O-N 2.98Å; S21-L23 VanDerWaalsContact C-N 3.28Å; S21-L23 PolarHBondContact O-N 3.35Å; S21-S24 CarbonylContact O-C 3.55Å; S21-S24 WeakPolarHBondContact O-CB 3.44Å; S21-S24 PolarHBondContact O-N 3.19Å; S21-E25 WeakPolarHBondContact CB-OE1 3.4Å; S21-E25 WeakPolarHBondContact O-CB 3.21Å; S21-E25 VanDerWaalsContact O-CG 3.26Å; S21-E25 WeakPolarHBondContact O-CG 3.39Å; S21-E25 PolarHBondContact O-N 3.3Å; S21-E25 PolarHBondContact OG-OE1 2.89Å
22W93Very high90.1Very high71 Ų7184.5 Ų84.527%0.26944%0.439SS..Hα-helixtrans-62.1-34.1179.8-74.913.7000113.5V18 P19 Q20 F26 Y54 L62 L66V18-W22 HydrophobicContact CB-CD2 4.28Å; V18-W22 HydrophobicContact CB-CE3 3.83Å; V18-W22 HydrophobicContact CB-CZ3 4.01Å; V18-W22 HydrophobicContact CG1-CE3 3.88Å; V18-W22 HydrophobicContact CG1-CH2 4.15Å; V18-W22 HydrophobicContact CG1-CZ3 3.56Å; V18-W22 HydrophobicContact CG2-CE3 4.47Å; P19-W22 PolarHBondContact O-N 3.17Å; Q20-W22 PolarHBondContact O-N 2.94Å; W22-F26 WeakPolarHBondContact O-CB 3.32Å; W22-F26 PolarHBondContact O-N 3.11Å; W22-Y54 HydrophobicContact CB-CE2 4.45Å; W22-Y54 WeakPolarHBondContact CB-OH 3.32Å; W22-L62 HydrophobicContact CE3-CD1 4.32Å; W22-L62 HydrophobicContact CZ3-CB 4.31Å; W22-L66 HydrophobicContact CH2-CD1 3.39Å; W22-L66 HydrophobicContact CZ2-CD1 4.2Å; W22-L66 HydrophobicContact CZ3-CD1 4.21Å
23L93Very high89.5Confident21 Ų2187 Ų8711%0.1145%0.453CS..Hα-helixtrans-67.9-46.1174172.461.6000109.7Q20 S21 F26 L27 K51 Y54Q20-L23 PolarHBondContact O-N 2.49Å; Q20-L23 VanDerWaalsContact O-N 3.13Å; S21-L23 VanDerWaalsContact C-N 3.28Å; S21-L23 PolarHBondContact O-N 3.35Å; L23-F26 PolarHBondContact O-N 3.11Å; L23-L27 HydrophobicContact CD1-CD1 3.91Å; L23-L27 HydrophobicContact CD1-CD2 4.45Å; L23-L27 HydrophobicContact CD1-CG 3.94Å; L23-L27 HydrophobicContact CG-CD1 4.04Å; L23-L27 HydrophobicContact CG-CG 4.42Å; L23-L27 WeakPolarHBondContact O-CB 3.33Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.48Å; L23-L27 PolarHBondContact O-N 3.28Å; L23-K51 HydrophobicContact CD1-CG 4.29Å; L23-Y54 HydrophobicContact CB-CD1 4.11Å; L23-Y54 HydrophobicContact CB-CE1 3.78Å; L23-Y54 HydrophobicContact CD1-CD1 3.44Å; L23-Y54 VanDerWaalsContact CD1-CD1 3.44Å; L23-Y54 HydrophobicContact CD1-CE1 4.05Å; L23-Y54 HydrophobicContact CD1-CG 3.69Å; L23-Y54 HydrophobicContact CG-CD1 4.29Å; L23-Y54 HydrophobicContact CG-CE1 4.44Å
24S92Very high88.7Confident71 Ų7181.5 Ų81.550%0.49743%0.431SS..Hα-helixtrans-61.4-45.6179.8-46.20000111.6S21 L27 A28S21-S24 CarbonylContact O-C 3.55Å; S21-S24 WeakPolarHBondContact O-CB 3.44Å; S21-S24 PolarHBondContact O-N 3.19Å; S24-L27 PolarHBondContact O-N 3.29Å; S24-A28 WeakPolarHBondContact O-CB 3.07Å; S24-A28 PolarHBondContact O-N 3.23Å
25E94Very high87.7Confident110 Ų11080 Ų8051%0.51444%0.437SS..Hα-helixtrans-61.7-45175.7-71163.2-138.300111.2S21 A28 E29S21-E25 WeakPolarHBondContact CB-OE1 3.4Å; S21-E25 WeakPolarHBondContact O-CB 3.21Å; S21-E25 VanDerWaalsContact O-CG 3.26Å; S21-E25 WeakPolarHBondContact O-CG 3.39Å; S21-E25 PolarHBondContact O-N 3.3Å; S21-E25 PolarHBondContact OG-OE1 2.89Å; E25-A28 PolarHBondContact O-N 3.27Å; E25-E29 PolarHBondContact O-N 2.94Å
26F93.1Very high86.8Confident49 Ų4981 Ų8122%0.21544%0.439CS..Hα-helixtrans-61.5-46.6176.6178.4-95.8000111.9W22 L23 A28 E29 T30 S50 Y54 V58W22-F26 WeakPolarHBondContact O-CB 3.32Å; W22-F26 PolarHBondContact O-N 3.11Å; L23-F26 PolarHBondContact O-N 3.11Å; F26-A28 VanDerWaalsContact C-N 3.32Å; F26-A28 PolarHBondContact O-N 3.38Å; F26-E29 PolarHBondContact O-N 3.44Å; F26-T30 HydrophobicContact CD1-CG2 4.18Å; F26-T30 HydrophobicContact CE1-CG2 3.66Å; F26-T30 HydrophobicContact CE2-CG2 4.06Å; F26-T30 HydrophobicContact CZ-CG2 3.6Å; F26-T30 WeakPolarHBondContact O-CG2 3.37Å; F26-T30 PolarHBondContact O-N 3.31Å; F26-T30 PolarHBondContact O-OG1 2.77Å; F26-S50 WeakPolarHBondContact CE1-O 3.2Å; F26-Y54 HydrophobicContact CB-CD2 3.73Å; F26-Y54 HydrophobicContact CB-CE2 4.1Å; F26-Y54 AromaticContact CD1-CD2 3.8Å; F26-Y54 HydrophobicContact CD1-CD2 3.8Å; F26-Y54 HydrophobicContact CD1-CG 4.11Å; F26-Y54 HydrophobicContact CD2-CD2 4.19Å; F26-Y54 HydrophobicContact CE1-CD2 4.49Å; F26-Y54 AromaticContact CG-CD2 3.62Å; F26-Y54 HydrophobicContact CG-CD2 3.62Å; F26-Y54 HydrophobicContact CG-CE2 4.4Å; F26-Y54 HydrophobicContact CG-CG 4.38Å; F26-V58 HydrophobicContact CD2-CG1 4.06Å; F26-V58 HydrophobicContact CE2-CB 4.3Å; F26-V58 HydrophobicContact CE2-CG1 3.91Å; F26-V58 HydrophobicContact CE2-CG2 3.77Å; F26-V58 HydrophobicContact CZ-CG2 3.74Å
27L91.2Very high85.6Confident50 Ų5083.4 Ų83.426%0.26246%0.463SS..Hα-helixtrans-64.4-37.5178.2-69.1176.5000112.1L23 S24 E29 T30 A31 K51L23-L27 HydrophobicContact CD1-CD1 3.91Å; L23-L27 HydrophobicContact CD1-CD2 4.45Å; L23-L27 HydrophobicContact CD1-CG 3.94Å; L23-L27 HydrophobicContact CG-CD1 4.04Å; L23-L27 HydrophobicContact CG-CG 4.42Å; L23-L27 WeakPolarHBondContact O-CB 3.33Å; L23-L27 VanDerWaalsContact O-CG 3.28Å; L23-L27 WeakPolarHBondContact O-CG 3.48Å; L23-L27 PolarHBondContact O-N 3.28Å; S24-L27 PolarHBondContact O-N 3.29Å; L27-E29 VanDerWaalsContact C-N 3.33Å; L27-T30 PolarHBondContact O-OG1 3.06Å; L27-T30 VanDerWaalsContact O-OG1 3.13Å; L27-A31 VanDerWaalsContact O-CB 3.29Å; L27-A31 WeakPolarHBondContact O-CB 3.24Å; L27-A31 PolarHBondContact O-N 3.31Å; L27-K51 HydrophobicContact CD2-CB 4.27Å
28A89.9Confident84.6Confident52 Ų5279.3 Ų79.343%0.4345%0.447SS..Hα-helixtrans-63.7-40.5175.100000111.4S24 E25 F26 A31 K32S24-A28 WeakPolarHBondContact O-CB 3.07Å; S24-A28 PolarHBondContact O-N 3.23Å; E25-A28 PolarHBondContact O-N 3.27Å; F26-A28 VanDerWaalsContact C-N 3.32Å; F26-A28 PolarHBondContact O-N 3.38Å; A28-A31 PolarHBondContact O-N 2.77Å; A28-K32 WeakPolarHBondContact O-CG 3.42Å; A28-K32 PolarHBondContact O-N 2.78Å
29E90.3Very high84.2Confident99 Ų9982.2 Ų82.246%0.46347%0.467SS..Hα-helixtrans-71.2-41.1179-158.759.9-156.100112.2E25 F26 L27 A31 K32 L33E25-E29 PolarHBondContact O-N 2.94Å; F26-E29 PolarHBondContact O-N 3.44Å; L27-E29 VanDerWaalsContact C-N 3.33Å; E29-A31 VanDerWaalsContact C-N 3.28Å; E29-A31 PolarHBondContact O-N 2.97Å; E29-K32 PolarHBondContact O-N 2.69Å; E29-K32 IonicContact OE2-NZ 3.88Å; E29-K32 PolarHBondContact OE2-NZ 2.75Å; E29-L33 PolarHBondContact O-N 2.83Å
30T89.3Confident83.9Confident29 Ų2983 Ų8318%0.17847%0.474CS..Hα-helixtrans-65.8-32.8174.960.70000112.1F26 L27 K32 L33 M34 S50F26-T30 HydrophobicContact CD1-CG2 4.18Å; F26-T30 HydrophobicContact CE1-CG2 3.66Å; F26-T30 HydrophobicContact CE2-CG2 4.06Å; F26-T30 HydrophobicContact CZ-CG2 3.6Å; F26-T30 WeakPolarHBondContact O-CG2 3.37Å; F26-T30 PolarHBondContact O-N 3.31Å; F26-T30 PolarHBondContact O-OG1 2.77Å; L27-T30 PolarHBondContact O-OG1 3.06Å; L27-T30 VanDerWaalsContact O-OG1 3.13Å; T30-K32 VanDerWaalsContact C-N 3.32Å; T30-K32 PolarHBondContact O-N 3.03Å; T30-L33 PolarHBondContact O-N 3.12Å; T30-M34 PolarHBondContact O-N 2.98Å; T30-S50 PolarHBondContact OG1-OG 3.28Å
31A85.4Confident83.9Confident61 Ų6182.5 Ų82.550%0.50447%0.472SS..Hα-helixtrans-65.1-3317500000112.9L27 A28 E29 L33 M34L27-A31 VanDerWaalsContact O-CB 3.29Å; L27-A31 WeakPolarHBondContact O-CB 3.24Å; L27-A31 PolarHBondContact O-N 3.31Å; A28-A31 PolarHBondContact O-N 2.77Å; E29-A31 VanDerWaalsContact C-N 3.28Å; E29-A31 PolarHBondContact O-N 2.97Å; A31-L33 VanDerWaalsContact C-N 3.31Å; A31-L33 PolarHBondContact O-N 3.29Å; A31-M34 PolarHBondContact O-N 2.71Å
32K84.8Confident83.5Confident143 Ų14382.2 Ų82.262%0.62247%0.473SS*.Hα-helixtrans-65.6-35.4175.3-67.6171.8-168.4166.30112.4A28 E29 T30 M34A28-K32 WeakPolarHBondContact O-CG 3.42Å; A28-K32 PolarHBondContact O-N 2.78Å; E29-K32 PolarHBondContact O-N 2.69Å; E29-K32 IonicContact OE2-NZ 3.88Å; E29-K32 PolarHBondContact OE2-NZ 2.75Å; T30-K32 VanDerWaalsContact C-N 3.32Å; T30-K32 PolarHBondContact O-N 3.03Å; K32-M34 VanDerWaalsContact C-N 3.26Å; K32-M34 PolarHBondContact O-N 3.04Å
33L82.5Confident83Confident147 Ų14783.4 Ų83.477%0.7748%0.48SS*.Hα-helixtrans-71.7-20.4-179.6-64173000113.2E29 T30 A31 G35E29-L33 PolarHBondContact O-N 2.83Å; T30-L33 PolarHBondContact O-N 3.12Å; A31-L33 VanDerWaalsContact C-N 3.31Å; A31-L33 PolarHBondContact O-N 3.29Å; L33-G35 VanDerWaalsContact C-N 3.3Å; L33-G35 PolarHBondContact O-N 2.85Å
34M74.5Confident82.7Confident84 Ų8485.3 Ų85.341%0.41450%0.499SS..THydrogen-bonded Turntrans-76.8-10.1-176.5-80.4-80.6-68.300114.5T30 A31 K32 V46T30-M34 PolarHBondContact O-N 2.98Å; A31-M34 PolarHBondContact O-N 2.71Å; K32-M34 VanDerWaalsContact C-N 3.26Å; K32-M34 PolarHBondContact O-N 3.04Å; M34-V46 HydrophobicContact CE-CB 3.54Å; M34-V46 HydrophobicContact CE-CG1 3.77Å; M34-V46 HydrophobicContact CE-CG2 3.55Å; M34-V46 HydrophobicContact CG-CG1 4.17Å; M34-V46 HydrophobicContact SD-CB 3.98Å; M34-V46 HydrophobicContact SD-CG1 3.5Å; M34-V46 WeakPolarHBondContact SD-CG1 3.49Å; M34-V46 HydrophobicContact SD-CG2 4.02Å
35G67.6Low82.5Confident45 Ų4588.7 Ų88.746%0.46451%0.505SS..  trans67.9170.4-172.900000113.3L33 S37L33-G35 VanDerWaalsContact C-N 3.3Å; L33-G35 PolarHBondContact O-N 2.85Å; G35-S37 VanDerWaalsContact C-N 3.34Å
36K69.5Low82.2Confident198 Ų19885.6 Ų85.686%0.86149%0.493SS*.SBendtrans-78.6-20.9-179.2-68.1-176.2179-179.90113K43K36-K43 PolarHBondContact O-NZ 3.24Å
37S61.4Low81.9Confident113 Ų11385.7 Ų85.779%0.7950%0.503SS*.  trans-84.5124.1-170.2-35.10000111.5G35G35-S37 VanDerWaalsContact C-N 3.34Å
38G67.9Low81.9Confident45 Ų4586.6 Ų86.646%0.46451%0.514SS..SBendtrans151.6143.7175.600000112.6K43G38-K43 VanDerWaalsContact O-CE 3.25Å; G38-K43 WeakPolarHBondContact O-CE 3.25Å; G38-K43 PolarHBondContact O-NZ 3.42Å
39C80.5Confident82Confident78 Ų7886.8 Ų86.853%0.52751%0.511SS..  trans-64.8161.2175.165.40000111.5E41 A42 K43C39-E41 VanDerWaalsContact C-N 3.27Å; C39-E41 PolarHBondContact O-N 2.93Å; C39-A42 PolarHBondContact O-N 3.06Å; C39-K43 PolarHBondContact O-N 2.93Å
40S83.7Confident82.2Confident85 Ų8582.7 Ų82.759%0.59449%0.494SS*.Hα-helixtrans-61.6-36.8-173.270.60000112.8K43 A44S40-K43 PolarHBondContact O-N 3.16Å; S40-A44 PolarHBondContact O-N 3.01Å
41E85.7Confident82.4Confident130 Ų13086.8 Ų86.861%0.60751%0.509SS*.Hα-helixtrans-67.2-44.5-178.6-66.979.917700111C39 K43 A44 F45C39-E41 VanDerWaalsContact C-N 3.27Å; C39-E41 PolarHBondContact O-N 2.93Å; E41-K43 VanDerWaalsContact C-N 3.35Å; E41-K43 PolarHBondContact O-N 3.12Å; E41-A44 PolarHBondContact O-N 3.09Å; E41-F45 WeakPolarHBondContact O-CB 3.49Å; E41-F45 PolarHBondContact O-N 3.23Å
42A84Confident82.8Confident45 Ų4587.3 Ų87.337%0.37251%0.505SS..Hα-helixtrans-63.5-41.5176.500000111.5C39 F45 V46C39-A42 PolarHBondContact O-N 3.06Å; A42-F45 PolarHBondContact O-N 3.24Å; A42-V46 WeakPolarHBondContact O-CG2 3.49Å; A42-V46 PolarHBondContact O-N 3.44Å
43K83.3Confident83.3Confident96 Ų9683.1 Ų83.142%0.41749%0.494SS..Hα-helixtrans-62.4-44.1176-72.3174.1176.2164.90111.5K36 G38 C39 S40 E41 V46 A47K36-K43 PolarHBondContact O-NZ 3.24Å; G38-K43 VanDerWaalsContact O-CE 3.25Å; G38-K43 WeakPolarHBondContact O-CE 3.25Å; G38-K43 PolarHBondContact O-NZ 3.42Å; C39-K43 PolarHBondContact O-N 2.93Å; S40-K43 PolarHBondContact O-N 3.16Å; E41-K43 VanDerWaalsContact C-N 3.35Å; E41-K43 PolarHBondContact O-N 3.12Å; K43-V46 PolarHBondContact O-N 2.89Å; K43-A47 WeakPolarHBondContact O-CB 3.29Å; K43-A47 PolarHBondContact O-N 3.12Å
44A86.1Confident83.9Confident62 Ų6276.5 Ų76.551%0.51246%0.459SS..Hα-helixtrans-64.1-42.6176.900000112.3S40 E41 A47 S48S40-A44 PolarHBondContact O-N 3.01Å; E41-A44 PolarHBondContact O-N 3.09Å; A44-A47 PolarHBondContact O-N 3.04Å; A44-S48 PolarHBondContact O-N 3.35Å
45F88Confident84.7Confident142 Ų14276.7 Ų76.762%0.62346%0.464SS*.Hα-helixtrans-60.7-48.7177-179-106.3000111.6E41 A42 A47 S48 C49E41-F45 WeakPolarHBondContact O-CB 3.49Å; E41-F45 PolarHBondContact O-N 3.23Å; A42-F45 PolarHBondContact O-N 3.24Å; F45-A47 PolarHBondContact O-N 3.04Å; F45-S48 WeakPolarHBondContact O-CB 3.33Å; F45-S48 PolarHBondContact O-N 2.95Å; F45-S48 VanDerWaalsContact O-N 3.15Å; F45-C49 PolarHBondContact O-N 2.87Å; F45-C49 PolarHBondContact O-SG 3.12Å; F45-C49 VanDerWaalsContact O-SG 3.38Å
46V87Confident85.9Confident44 Ų4482.4 Ų82.427%0.26748%0.477SS..Hα-helixtrans-68.3-34.7179.51790000112.5M34 A42 K43 S48 C49 S50M34-V46 HydrophobicContact CE-CB 3.54Å; M34-V46 HydrophobicContact CE-CG1 3.77Å; M34-V46 HydrophobicContact CE-CG2 3.55Å; M34-V46 HydrophobicContact CG-CG1 4.17Å; M34-V46 HydrophobicContact SD-CB 3.98Å; M34-V46 HydrophobicContact SD-CG1 3.5Å; M34-V46 WeakPolarHBondContact SD-CG1 3.49Å; M34-V46 HydrophobicContact SD-CG2 4.02Å; A42-V46 WeakPolarHBondContact O-CG2 3.49Å; A42-V46 PolarHBondContact O-N 3.44Å; K43-V46 PolarHBondContact O-N 2.89Å; V46-S48 VanDerWaalsContact C-N 3.29Å; V46-S48 PolarHBondContact O-N 3.2Å; V46-C49 PolarHBondContact O-N 3.5Å; V46-S50 WeakPolarHBondContact O-CB 3.49Å; V46-S50 PolarHBondContact O-N 3.21Å; V46-S50 PolarHBondContact O-OG 3.05Å
47A87.6Confident87.1Confident51 Ų5175.9 Ų75.942%0.42145%0.453SS..Hα-helixtrans-60.2-41.2172.100000111.4K43 A44 F45 S50 K51K43-A47 WeakPolarHBondContact O-CB 3.29Å; K43-A47 PolarHBondContact O-N 3.12Å; A44-A47 PolarHBondContact O-N 3.04Å; F45-A47 PolarHBondContact O-N 3.04Å; A47-S50 PolarHBondContact O-N 3.35Å; A47-K51 PolarHBondContact O-N 2.87Å
48S91.2Very high88.6Confident70 Ų7071.9 Ų71.949%0.4942%0.424SS..Hα-helixtrans-62.3-48.5173.5-1740000111.9A44 F45 V46 S50 K51 V52A44-S48 PolarHBondContact O-N 3.35Å; F45-S48 WeakPolarHBondContact O-CB 3.33Å; F45-S48 PolarHBondContact O-N 2.95Å; F45-S48 VanDerWaalsContact O-N 3.15Å; V46-S48 VanDerWaalsContact C-N 3.29Å; V46-S48 PolarHBondContact O-N 3.2Å; S48-S50 VanDerWaalsContact C-N 3.3Å; S48-S50 PolarHBondContact O-N 2.82Å; S48-K51 WeakPolarHBondContact O-CB 3.37Å; S48-K51 PolarHBondContact O-N 3.41Å; S48-K51 VanDerWaalsContact O-N 3.17Å; S48-V52 WeakPolarHBondContact O-CG2 3.46Å; S48-V52 PolarHBondContact O-N 3.01Å
49C92.6Very high89.8Confident56 Ų5674.1 Ų74.138%0.37842%0.419SS..Hα-helixtrans-57.7-42174.7-67.80000112.1F45 V46 V52 C53F45-C49 PolarHBondContact O-N 2.87Å; F45-C49 PolarHBondContact O-SG 3.12Å; F45-C49 VanDerWaalsContact O-SG 3.38Å; V46-C49 PolarHBondContact O-N 3.5Å; C49-V52 PolarHBondContact O-N 3.22Å; C49-C53 WeakPolarHBondContact O-CB 3.2Å; C49-C53 PolarHBondContact O-N 3.01Å
50S92.9Very high90.3Very high13 Ų1372.8 Ų72.89%0.09141%0.413CS..Hα-helixtrans-63.4-42.5177.4-61.10000111.2F26 T30 V46 A47 S48 V52 C53 Y54F26-S50 WeakPolarHBondContact CE1-O 3.2Å; T30-S50 PolarHBondContact OG1-OG 3.28Å; V46-S50 WeakPolarHBondContact O-CB 3.49Å; V46-S50 PolarHBondContact O-N 3.21Å; V46-S50 PolarHBondContact O-OG 3.05Å; A47-S50 PolarHBondContact O-N 3.35Å; S48-S50 VanDerWaalsContact C-N 3.3Å; S48-S50 PolarHBondContact O-N 2.82Å; S50-V52 PolarHBondContact O-N 2.99Å; S50-C53 WeakPolarHBondContact O-CB 3.39Å; S50-C53 PolarHBondContact O-N 3.03Å; S50-Y54 PolarHBondContact O-N 3.34Å
51K93.9Very high90.8Very high115 Ų11577.7 Ų77.750%0.542%0.418SS..Hα-helixtrans-62.6-41.5175.4-174.1176.7-179179.90111.9L23 L27 A47 S48 Y54 T55L23-K51 HydrophobicContact CD1-CG 4.29Å; L27-K51 HydrophobicContact CD2-CB 4.27Å; A47-K51 PolarHBondContact O-N 2.87Å; S48-K51 WeakPolarHBondContact O-CB 3.37Å; S48-K51 PolarHBondContact O-N 3.41Å; S48-K51 VanDerWaalsContact O-N 3.17Å; K51-Y54 PolarHBondContact O-N 3.2Å; K51-T55 WeakPolarHBondContact O-CB 3.42Å; K51-T55 PolarHBondContact O-N 2.94Å; K51-T55 PolarHBondContact O-OG1 2.87Å
52V95Very high91.1Very high71 Ų7174.7 Ų74.743%0.4341%0.406SS..Hα-helixtrans-64.6-45.9175.1173.90000110.7S48 C49 S50 Y54 T55 K56S48-V52 WeakPolarHBondContact O-CG2 3.46Å; S48-V52 PolarHBondContact O-N 3.01Å; C49-V52 PolarHBondContact O-N 3.22Å; S50-V52 PolarHBondContact O-N 2.99Å; V52-Y54 VanDerWaalsContact C-N 3.34Å; V52-Y54 PolarHBondContact O-N 3.06Å; V52-T55 PolarHBondContact O-N 3.32Å; V52-K56 HydrophobicContact CG1-CD 3.95Å; V52-K56 HydrophobicContact CG1-CG 4.33Å; V52-K56 WeakPolarHBondContact O-CB 3.35Å; V52-K56 PolarHBondContact O-N 3.01Å
53C94.7Very high91.5Very high56 Ų5673.3 Ų73.338%0.37839%0.393SS..Hα-helixtrans-57.8-46.1176.5-1780000111.5C49 S50 T55 V57 V58C49-C53 WeakPolarHBondContact O-CB 3.2Å; C49-C53 PolarHBondContact O-N 3.01Å; S50-C53 WeakPolarHBondContact O-CB 3.39Å; S50-C53 PolarHBondContact O-N 3.03Å; C53-T55 PolarHBondContact O-N 3.42Å; C53-V57 WeakPolarHBondContact O-CA 3.29Å; C53-V57 WeakPolarHBondContact O-CB 3.36Å; C53-V57 PolarHBondContact O-N 2.86Å; C53-V58 PolarHBondContact O-N 3.21Å; C53-V58 VanDerWaalsContact O-N 3.12Å
54Y94.6Very high92Very high8 Ų872.1 Ų72.13%0.03139%0.391CS..Iπ-helixtrans-57.7-51.5176.8178.5-95.4000111.6W22 L23 F26 S50 K51 V52 V58 R59W22-Y54 HydrophobicContact CB-CE2 4.45Å; W22-Y54 WeakPolarHBondContact CB-OH 3.32Å; L23-Y54 HydrophobicContact CB-CD1 4.11Å; L23-Y54 HydrophobicContact CB-CE1 3.78Å; L23-Y54 HydrophobicContact CD1-CD1 3.44Å; L23-Y54 VanDerWaalsContact CD1-CD1 3.44Å; L23-Y54 HydrophobicContact CD1-CE1 4.05Å; L23-Y54 HydrophobicContact CD1-CG 3.69Å; L23-Y54 HydrophobicContact CG-CD1 4.29Å; L23-Y54 HydrophobicContact CG-CE1 4.44Å; F26-Y54 HydrophobicContact CB-CD2 3.73Å; F26-Y54 HydrophobicContact CB-CE2 4.1Å; F26-Y54 AromaticContact CD1-CD2 3.8Å; F26-Y54 HydrophobicContact CD1-CD2 3.8Å; F26-Y54 HydrophobicContact CD1-CG 4.11Å; F26-Y54 HydrophobicContact CD2-CD2 4.19Å; F26-Y54 HydrophobicContact CE1-CD2 4.49Å; F26-Y54 AromaticContact CG-CD2 3.62Å; F26-Y54 HydrophobicContact CG-CD2 3.62Å; F26-Y54 HydrophobicContact CG-CE2 4.4Å; F26-Y54 HydrophobicContact CG-CG 4.38Å; S50-Y54 PolarHBondContact O-N 3.34Å; K51-Y54 PolarHBondContact O-N 3.2Å; V52-Y54 VanDerWaalsContact C-N 3.34Å; V52-Y54 PolarHBondContact O-N 3.06Å; Y54-V58 HydrophobicContact CD2-CB 4.11Å; Y54-V58 HydrophobicContact CD2-CG1 4.22Å; Y54-V58 PolarHBondContact O-N 3.03Å; Y54-R59 HydrophobicContact CD1-CB 4.47Å; Y54-R59 HydrophobicContact CE1-CB 4.12Å; Y54-R59 VanDerWaalsContact O-CB 3.32Å; Y54-R59 WeakPolarHBondContact O-CB 3.33Å; Y54-R59 PolarHBondContact O-N 3.3Å
55T91.7Very high92.4Very high87 Ų8778.4 Ų78.453%0.53440%0.402SS..Iπ-helixtrans-67-43.5-173.1-54.20000111.8K51 V52 C53K51-T55 WeakPolarHBondContact O-CB 3.42Å; K51-T55 PolarHBondContact O-N 2.94Å; K51-T55 PolarHBondContact O-OG1 2.87Å; V52-T55 PolarHBondContact O-N 3.32Å; C53-T55 PolarHBondContact O-N 3.42Å
56K92.9Very high92.7Very high165 Ų16575.6 Ų75.672%0.71739%0.393SS*.Iπ-helixtrans-84.3-30.4-175.2-68.9-169.1174.8-175.90113.7V52V52-K56 HydrophobicContact CG1-CD 3.95Å; V52-K56 HydrophobicContact CG1-CG 4.33Å; V52-K56 WeakPolarHBondContact O-CB 3.35Å; V52-K56 PolarHBondContact O-N 3.01Å
57V94.1Very high92.9Very high62 Ų6275.5 Ų75.538%0.37639%0.388SS..Iπ-helixtrans-125.8-59.6-168-175.50000112.1C53 R59 A60 R61C53-V57 WeakPolarHBondContact O-CA 3.29Å; C53-V57 WeakPolarHBondContact O-CB 3.36Å; C53-V57 PolarHBondContact O-N 2.86Å; V57-R59 PolarHBondContact O-N 3.16Å; V57-A60 PolarHBondContact O-N 3.04Å; V57-R61 WeakPolarHBondContact O-CG 3.45Å; V57-R61 PolarHBondContact O-N 3.29Å
58V93.3Very high93.3Very high29 Ų2977.9 Ų77.918%0.17639%0.393CS..Iπ-helixtrans-65.3-46.1-167.5-175.90000111.1F26 C53 Y54 A60 R61 L62F26-V58 HydrophobicContact CD2-CG1 4.06Å; F26-V58 HydrophobicContact CE2-CB 4.3Å; F26-V58 HydrophobicContact CE2-CG1 3.91Å; F26-V58 HydrophobicContact CE2-CG2 3.77Å; F26-V58 HydrophobicContact CZ-CG2 3.74Å; C53-V58 PolarHBondContact O-N 3.21Å; C53-V58 VanDerWaalsContact O-N 3.12Å; Y54-V58 HydrophobicContact CD2-CB 4.11Å; Y54-V58 HydrophobicContact CD2-CG1 4.22Å; Y54-V58 PolarHBondContact O-N 3.03Å; V58-A60 PolarHBondContact O-N 3.01Å; V58-R61 PolarHBondContact O-N 3.47Å; V58-L62 HydrophobicContact CG1-CD1 3.76Å; V58-L62 HydrophobicContact CG1-CG 4.04Å; V58-L62 WeakPolarHBondContact O-CB 3.11Å; V58-L62 WeakPolarHBondContact O-CG 3.32Å; V58-L62 PolarHBondContact O-N 3.5Å
59R92.7Very high93.5Very high92 Ų9282.2 Ų82.235%0.34740%0.403SS..Hα-helixtrans-55.7-49.7179179.9179.4173.6151.3-0.6111.7F16 V18 Y54 V57 R61 L62 V63F16-R59 PolarHBondContact O-NH2 3.21Å; V18-R59 HydrophobicContact CG2-CG 4.38Å; V18-R59 VanDerWaalsContact CG2-CZ 3.42Å; Y54-R59 HydrophobicContact CD1-CB 4.47Å; Y54-R59 HydrophobicContact CE1-CB 4.12Å; Y54-R59 VanDerWaalsContact O-CB 3.32Å; Y54-R59 WeakPolarHBondContact O-CB 3.33Å; Y54-R59 PolarHBondContact O-N 3.3Å; V57-R59 PolarHBondContact O-N 3.16Å; R59-R61 PolarHBondContact O-N 3.12Å; R59-L62 PolarHBondContact O-N 3.06Å; R59-V63 WeakPolarHBondContact O-CB 3.34Å; R59-V63 VanDerWaalsContact O-CG2 3.3Å; R59-V63 WeakPolarHBondContact O-CG2 3.27Å; R59-V63 PolarHBondContact O-N 2.93Å
60A91.3Very high93.6Very high49 Ų4982.2 Ų82.241%0.40541%0.407SS..Hα-helixtrans-63.7-41.1-179.300000111.8V57 V58 N64V57-A60 PolarHBondContact O-N 3.04Å; V58-A60 PolarHBondContact O-N 3.01Å; A60-N64 WeakPolarHBondContact O-CB 3.3Å; A60-N64 PolarHBondContact O-N 2.71Å; A60-N64 PolarHBondContact O-ND2 2.9Å; A60-N64 VanDerWaalsContact O-ND2 3.14Å
61R94.1Very high93.6Very high188 Ų18882.1 Ų82.171%0.70941%0.406SS*.Hα-helixtrans-64.8-45.4176.2-75.8-173.4169.9-173.5-2.5112.3V57 V58 R59 N64 R65V57-R61 WeakPolarHBondContact O-CG 3.45Å; V57-R61 PolarHBondContact O-N 3.29Å; V58-R61 PolarHBondContact O-N 3.47Å; R59-R61 PolarHBondContact O-N 3.12Å; R61-N64 PolarHBondContact O-N 3.3Å; R61-R65 WeakPolarHBondContact O-CB 3.47Å; R61-R65 PolarHBondContact O-N 3.1Å
62L92.5Very high93.6Very high67 Ų6782.8 Ų82.835%0.35141%0.409SS..Hα-helixtrans-61-49.6177.8-74.1175.5000111.4W22 V58 R59 N64 R65 L66W22-L62 HydrophobicContact CE3-CD1 4.32Å; W22-L62 HydrophobicContact CZ3-CB 4.31Å; V58-L62 HydrophobicContact CG1-CD1 3.76Å; V58-L62 HydrophobicContact CG1-CG 4.04Å; V58-L62 WeakPolarHBondContact O-CB 3.11Å; V58-L62 WeakPolarHBondContact O-CG 3.32Å; V58-L62 PolarHBondContact O-N 3.5Å; R59-L62 PolarHBondContact O-N 3.06Å; L62-N64 PolarHBondContact O-N 3.01Å; L62-R65 PolarHBondContact O-N 3.1Å; L62-L66 WeakPolarHBondContact O-CG 3.48Å; L62-L66 PolarHBondContact O-N 3.15Å
63V93Very high93.6Very high17 Ų1789 Ų8910%0.10343%0.425CS..Hα-helixtrans-57.5-48.2177.2164.10000111.1F16 V18 R59 R65 L66 W67F16-V63 HydrophobicContact CB-CB 4.49Å; F16-V63 HydrophobicContact CB-CG1 3.7Å; F16-V63 HydrophobicContact CB-CG2 3.92Å; F16-V63 HydrophobicContact CD1-CG1 3.89Å; F16-V63 HydrophobicContact CD1-CG2 4.49Å; F16-V63 HydrophobicContact CD2-CG1 3.19Å; F16-V63 HydrophobicContact CE1-CG1 4.18Å; F16-V63 HydrophobicContact CE2-CG1 3.53Å; F16-V63 HydrophobicContact CG-CB 4.39Å; F16-V63 HydrophobicContact CG-CG1 3.33Å; F16-V63 HydrophobicContact CG-CG2 4.24Å; F16-V63 HydrophobicContact CZ-CG1 3.96Å; V18-V63 HydrophobicContact CG1-CG2 3.71Å; R59-V63 WeakPolarHBondContact O-CB 3.34Å; R59-V63 VanDerWaalsContact O-CG2 3.3Å; R59-V63 WeakPolarHBondContact O-CG2 3.27Å; R59-V63 PolarHBondContact O-N 2.93Å; V63-R65 VanDerWaalsContact C-N 3.33Å; V63-R65 PolarHBondContact O-N 2.92Å; V63-L66 PolarHBondContact O-N 2.81Å; V63-W67 WeakPolarHBondContact O-CB 3.5Å; V63-W67 PolarHBondContact O-N 3.42Å
64N92.4Very high93.5Very high70 Ų7088 Ų8837%0.37442%0.42SS..Hα-helixtrans-63.7-38.8178.4-79.1-36.2000112K14 A60 R61 L62 W67 N68K14-N64 PolarHBondContact NZ-OD1 2.9Å; A60-N64 WeakPolarHBondContact O-CB 3.3Å; A60-N64 PolarHBondContact O-N 2.71Å; A60-N64 PolarHBondContact O-ND2 2.9Å; A60-N64 VanDerWaalsContact O-ND2 3.14Å; R61-N64 PolarHBondContact O-N 3.3Å; L62-N64 PolarHBondContact O-N 3.01Å; N64-W67 PolarHBondContact O-N 2.88Å; N64-N68 VanDerWaalsContact O-CB 3.31Å; N64-N68 WeakPolarHBondContact O-CB 3.42Å; N64-N68 PolarHBondContact O-N 3.3Å; N64-N68 PolarHBondContact O-ND2 3.34Å
65R94.7Very high93.4Very high195 Ų19591.7 Ų91.774%0.73643%0.434SS*.Hα-helixtrans-62.1-46.5176-175.8176.2177.8164.6-0.8111.6R61 L62 V63 N68 K69R61-R65 WeakPolarHBondContact O-CB 3.47Å; R61-R65 PolarHBondContact O-N 3.1Å; L62-R65 PolarHBondContact O-N 3.1Å; V63-R65 VanDerWaalsContact C-N 3.33Å; V63-R65 PolarHBondContact O-N 2.92Å; R65-N68 PolarHBondContact O-N 3.22Å; R65-K69 WeakPolarHBondContact O-CB 3.4Å; R65-K69 PolarHBondContact O-N 2.97Å
66L93.9Very high93.5Very high82 Ų8291.6 Ų91.643%0.42943%0.43SS..Hα-helixtrans-64.6-43.4177.6-70.2172000111.7W22 L62 V63 N68 K69 A70W22-L66 HydrophobicContact CH2-CD1 3.39Å; W22-L66 HydrophobicContact CZ2-CD1 4.2Å; W22-L66 HydrophobicContact CZ3-CD1 4.21Å; L62-L66 WeakPolarHBondContact O-CG 3.48Å; L62-L66 PolarHBondContact O-N 3.15Å; V63-L66 PolarHBondContact O-N 2.81Å; L66-N68 VanDerWaalsContact C-N 3.33Å; L66-N68 PolarHBondContact O-N 3.48Å; L66-K69 PolarHBondContact O-N 2.72Å; L66-A70 WeakPolarHBondContact O-CB 3.36Å; L66-A70 PolarHBondContact O-N 2.74Å
67W92.7Very high93.5Very high43 Ų4389.5 Ų89.516%0.16342%0.423CS..Hα-helixtrans-58.9-45.5174.9-173.5-102.6000112.2I3 N4 K14 F16 V63 N64 K69 A70 S71I3-W67 HydrophobicContact CB-CH2 3.95Å; I3-W67 HydrophobicContact CD1-CH2 4.46Å; I3-W67 HydrophobicContact CG2-CH2 3.56Å; I3-W67 HydrophobicContact CG2-CZ2 4.15Å; N4-W67 WeakPolarHBondContact OD1-CZ2 3.41Å; N4-W67 PolarHBondContact OD1-NE1 2.9Å; K14-W67 HydrophobicContact CD-CZ2 4.32Å; F16-W67 HydrophobicContact CE1-CE3 4.28Å; F16-W67 HydrophobicContact CE2-CB 4.18Å; F16-W67 HydrophobicContact CE2-CD2 4.04Å; F16-W67 AromaticContact CE2-CE3 3.67Å; F16-W67 HydrophobicContact CE2-CE3 3.67Å; F16-W67 HydrophobicContact CE2-CG 4.34Å; F16-W67 HydrophobicContact CE2-CZ3 4.22Å; F16-W67 HydrophobicContact CZ-CB 3.74Å; F16-W67 AromaticContact CZ-CD2 3.85Å; F16-W67 HydrophobicContact CZ-CD2 3.85Å; F16-W67 AromaticContact CZ-CE3 3.25Å; F16-W67 HydrophobicContact CZ-CE3 3.25Å; F16-W67 HydrophobicContact CZ-CG 4.13Å; F16-W67 HydrophobicContact CZ-CZ3 4Å; V63-W67 WeakPolarHBondContact O-CB 3.5Å; V63-W67 PolarHBondContact O-N 3.42Å; N64-W67 PolarHBondContact O-N 2.88Å; W67-K69 VanDerWaalsContact C-N 3.33Å; W67-K69 PolarHBondContact O-N 3.02Å; W67-A70 PolarHBondContact O-N 3.39Å; W67-S71 PolarHBondContact NE1-OG 3.09Å; W67-S71 VanDerWaalsContact O-CB 3.23Å; W67-S71 WeakPolarHBondContact O-CB 3.47Å; W67-S71 PolarHBondContact O-N 3.32Å; W67-S71 PolarHBondContact O-OG 3.12Å
68N94.1Very high93.5Very high100 Ų10087.2 Ų87.254%0.53541%0.41SS..Hα-helixtrans-65.3-39.1179.6-71.9-13.4000110.9N64 R65 L66 S71 K72N64-N68 VanDerWaalsContact O-CB 3.31Å; N64-N68 WeakPolarHBondContact O-CB 3.42Å; N64-N68 PolarHBondContact O-N 3.3Å; N64-N68 PolarHBondContact O-ND2 3.34Å; R65-N68 PolarHBondContact O-N 3.22Å; L66-N68 VanDerWaalsContact C-N 3.33Å; L66-N68 PolarHBondContact O-N 3.48Å; N68-S71 PolarHBondContact O-N 3.5Å; N68-K72 VanDerWaalsContact O-CB 3.28Å; N68-K72 WeakPolarHBondContact O-CB 3.06Å; N68-K72 PolarHBondContact O-N 2.97Å
69K95.8Very high93.4Very high161 Ų16186.8 Ų86.870%0.741%0.407SS*.Hα-helixtrans-62.8-48.2174-170.2177.2-179.1-178.40111.5R65 L66 W67 K72 R73R65-K69 WeakPolarHBondContact O-CB 3.4Å; R65-K69 PolarHBondContact O-N 2.97Å; L66-K69 PolarHBondContact O-N 2.72Å; W67-K69 VanDerWaalsContact C-N 3.33Å; W67-K69 PolarHBondContact O-N 3.02Å; K69-K72 PolarHBondContact O-N 3.24Å; K69-R73 PolarHBondContact O-N 3.43Å
70A94.5Very high93.5Very high56 Ų5686.5 Ų86.546%0.46341%0.413SS..Hα-helixtrans-62.4-43.217700000111.9L66 W67 R73 A74L66-A70 WeakPolarHBondContact O-CB 3.36Å; L66-A70 PolarHBondContact O-N 2.74Å; W67-A70 PolarHBondContact O-N 3.39Å; A70-R73 PolarHBondContact O-N 3.1Å; A70-A74 WeakPolarHBondContact O-CB 3.35Å; A70-A74 PolarHBondContact O-N 2.89Å
71S93.3Very high93.6Very high11 Ų1186.6 Ų86.68%0.07741%0.41CS..Hα-helixtrans-64.5-39.8176.6-65.30000112.2N4 W67 N68 A74 R75N4-S71 WeakPolarHBondContact ND2-CB 3.24Å; N4-S71 PolarHBondContact ND2-OG 2.88Å; W67-S71 PolarHBondContact NE1-OG 3.09Å; W67-S71 VanDerWaalsContact O-CB 3.23Å; W67-S71 WeakPolarHBondContact O-CB 3.47Å; W67-S71 PolarHBondContact O-N 3.32Å; W67-S71 PolarHBondContact O-OG 3.12Å; N68-S71 PolarHBondContact O-N 3.5Å; S71-A74 PolarHBondContact O-N 2.94Å; S71-R75 WeakPolarHBondContact O-CB 3.48Å; S71-R75 PolarHBondContact O-N 3.45Å
72K93.8Very high93.5Very high129 Ų12977.7 Ų77.756%0.56138%0.376SS*.Hα-helixtrans-62.4-48.4174.4-176177.4179.5179.90110.5N68 K69 A74 R75 I76N68-K72 VanDerWaalsContact O-CB 3.28Å; N68-K72 WeakPolarHBondContact O-CB 3.06Å; N68-K72 PolarHBondContact O-N 2.97Å; K69-K72 PolarHBondContact O-N 3.24Å; K72-A74 PolarHBondContact O-N 3.19Å; K72-R75 PolarHBondContact O-N 2.97Å; K72-I76 HydrophobicContact CG-CD1 4.07Å; K72-I76 WeakPolarHBondContact O-CG1 3.35Å; K72-I76 PolarHBondContact O-N 3.33Å
73R95.1Very high93.5Very high202 Ų20275.4 Ų75.476%0.76237%0.367SS*.Hα-helixtrans-58.9-46.9176.7-175.4179.1179.6179.31.1112K69 A70 R75 I76 H77K69-R73 PolarHBondContact O-N 3.43Å; A70-R73 PolarHBondContact O-N 3.1Å; R73-R75 VanDerWaalsContact C-N 3.27Å; R73-R75 PolarHBondContact O-N 3.2Å; R73-I76 PolarHBondContact O-N 3.06Å; R73-H77 PolarHBondContact O-N 3.23Å
74A93.8Very high93.6Very high34 Ų3478.5 Ų78.528%0.28139%0.386SS..Hα-helixtrans-63.4-34178.500000112.5M1 A70 S71 K72 A78M1-A74 HydrophobicContact CG-CB 4.21Å; M1-A74 HydrophobicContact SD-CB 4.48Å; A70-A74 WeakPolarHBondContact O-CB 3.35Å; A70-A74 PolarHBondContact O-N 2.89Å; S71-A74 PolarHBondContact O-N 2.94Å; K72-A74 PolarHBondContact O-N 3.19Å; A74-A78 WeakPolarHBondContact O-CB 3.24Å; A74-A78 PolarHBondContact O-N 3.26Å; A74-A78 VanDerWaalsContact O-N 3.1Å
75R92.6Very high93.6Very high86 Ų8679 Ų7933%0.32539%0.389SS..Hα-helixtrans-70.3-44.5175.6-170.8-173.3-59.3117.21.6111.8M1 S71 K72 R73 H77 A78 V79 I251M1-R75 HydrophobicContact SD-CB 4.39Å; S71-R75 WeakPolarHBondContact O-CB 3.48Å; S71-R75 PolarHBondContact O-N 3.45Å; K72-R75 PolarHBondContact O-N 2.97Å; R73-R75 VanDerWaalsContact C-N 3.27Å; R73-R75 PolarHBondContact O-N 3.2Å; R75-H77 VanDerWaalsContact C-N 3.34Å; R75-H77 PolarHBondContact O-N 3.4Å; R75-A78 WeakPolarHBondContact O-CB 3.11Å; R75-A78 PolarHBondContact O-N 2.98Å; R75-A78 VanDerWaalsContact O-N 3.14Å; R75-V79 WeakPolarHBondContact O-CG2 3.34Å; R75-V79 PolarHBondContact O-N 2.69Å; R75-I251 HydrophobicContact CG-CG1 4.45Å
76I93.1Very high93.5Very high86 Ų8669.8 Ų69.844%0.44135%0.354SS..Hα-helixtrans-56.2-52.3176.6-69.6165.9000109.4K72 R73 A78 V79 D80K72-I76 HydrophobicContact CG-CD1 4.07Å; K72-I76 WeakPolarHBondContact O-CG1 3.35Å; K72-I76 PolarHBondContact O-N 3.33Å; R73-I76 PolarHBondContact O-N 3.06Å; I76-A78 VanDerWaalsContact C-N 3.26Å; I76-A78 PolarHBondContact O-N 3.43Å; I76-V79 WeakPolarHBondContact O-CA 3.44Å; I76-V79 WeakPolarHBondContact O-CB 3.27Å; I76-V79 PolarHBondContact O-N 3.08Å; I76-D80 VanDerWaalsContact O-CG 3.26Å; I76-D80 PolarHBondContact O-N 2.88Å
77H93.6Very high93.5Very high121 Ų12169.7 Ų69.756%0.5635%0.352SS*.Hα-helixtrans-59.6-35.3177.5-173.6-71.4000113.3R73 R75 V79 D80 C81R73-H77 PolarHBondContact O-N 3.23Å; R75-H77 VanDerWaalsContact C-N 3.34Å; R75-H77 PolarHBondContact O-N 3.4Å; H77-V79 VanDerWaalsContact C-N 3.34Å; H77-D80 PolarHBondContact O-N 3.43Å; H77-C81 PolarHBondContact CE1-SG 3.01Å; H77-C81 PolarHBondContact O-N 3.4Å; H77-C81 PolarHBondContact O-SG 2.89Å
78A92.7Very high93.6Very high14 Ų1471.7 Ų71.712%0.11637%0.372CS..Hα-helixtrans-67.5-36.2175.700000112.2A74 R75 I76 F82 I251A74-A78 WeakPolarHBondContact O-CB 3.24Å; A74-A78 PolarHBondContact O-N 3.26Å; A74-A78 VanDerWaalsContact O-N 3.1Å; R75-A78 WeakPolarHBondContact O-CB 3.11Å; R75-A78 PolarHBondContact O-N 2.98Å; R75-A78 VanDerWaalsContact O-N 3.14Å; I76-A78 VanDerWaalsContact C-N 3.26Å; I76-A78 PolarHBondContact O-N 3.43Å; A78-F82 WeakPolarHBondContact O-CB 3.3Å; A78-F82 PolarHBondContact O-N 3.39Å; A78-F82 VanDerWaalsContact O-N 3.1Å; A78-I251 HydrophobicContact CB-CD1 4.08Å
79V93Very high93.5Very high19 Ų1968 Ų6812%0.11535%0.353CS..Hα-helixtrans-66.9-44.2173.2173.40000110.4R75 I76 H77 C81 F82 A83 I251 V255 T259R75-V79 WeakPolarHBondContact O-CG2 3.34Å; R75-V79 PolarHBondContact O-N 2.69Å; I76-V79 WeakPolarHBondContact O-CA 3.44Å; I76-V79 WeakPolarHBondContact O-CB 3.27Å; I76-V79 PolarHBondContact O-N 3.08Å; H77-V79 VanDerWaalsContact C-N 3.34Å; V79-C81 PolarHBondContact O-N 2.88Å; V79-F82 WeakPolarHBondContact O-CB 3.24Å; V79-F82 PolarHBondContact O-N 3.06Å; V79-F82 VanDerWaalsContact O-N 3.15Å; V79-A83 PolarHBondContact O-N 3.19Å; V79-I251 HydrophobicContact CG2-CD1 3.89Å; V79-I251 HydrophobicContact CG2-CG1 4.47Å; V79-I251 HydrophobicContact CG2-CG2 3.83Å; V79-V255 HydrophobicContact CG1-CG1 4.45Å; V79-V255 HydrophobicContact CG2-CG1 3.83Å; V79-T259 HydrophobicContact CG1-CG2 3.82Å; V79-T259 VanDerWaalsContact CG1-OG1 3.31Å; V79-T259 WeakPolarHBondContact CG1-OG1 3.32Å
80D93.5Very high93.3Very high86 Ų8660.6 Ų60.646%0.4632%0.32SS..Hα-helixtrans-61-47.6179.3-58.8-24.9000111.1I76 H77 F82 A83 T84I76-D80 VanDerWaalsContact O-CG 3.26Å; I76-D80 PolarHBondContact O-N 2.88Å; H77-D80 PolarHBondContact O-N 3.43Å; D80-F82 VanDerWaalsContact C-N 3.3Å; D80-F82 PolarHBondContact O-N 3.41Å; D80-A83 WeakPolarHBondContact O-CB 3.44Å; D80-A83 PolarHBondContact O-N 3.32Å; D80-T84 PolarHBondContact O-N 2.87Å; D80-T84 PolarHBondContact O-OG1 2.73Å
81C92.6Very high93.3Very high51 Ų5160.8 Ų60.835%0.34531%0.313SS..Hα-helixtrans-61.2-38.8174.7-66.70000112.6H77 V79 A83 N85H77-C81 PolarHBondContact CE1-SG 3.01Å; H77-C81 PolarHBondContact O-N 3.4Å; H77-C81 PolarHBondContact O-SG 2.89Å; V79-C81 PolarHBondContact O-N 2.88Å; C81-A83 VanDerWaalsContact C-N 3.35Å; C81-N85 WeakPolarHBondContact O-CB 3.39Å; C81-N85 PolarHBondContact O-N 2.78Å; C81-N85 PolarHBondContact O-ND2 3.39Å
82F91.9Very high93.4Very high1 Ų162.3 Ų62.30%0.00432%0.322CS..Hα-helixtrans-61.7-44.9175.2169.1-88.2000110.9A78 V79 D80 N85 L86 V244 L256 T259 V260A78-F82 WeakPolarHBondContact O-CB 3.3Å; A78-F82 PolarHBondContact O-N 3.39Å; A78-F82 VanDerWaalsContact O-N 3.1Å; V79-F82 WeakPolarHBondContact O-CB 3.24Å; V79-F82 PolarHBondContact O-N 3.06Å; V79-F82 VanDerWaalsContact O-N 3.15Å; D80-F82 VanDerWaalsContact C-N 3.3Å; D80-F82 PolarHBondContact O-N 3.41Å; F82-N85 PolarHBondContact O-N 3.27Å; F82-L86 HydrophobicContact CE1-CD2 4.09Å; F82-L86 HydrophobicContact CZ-CD2 4.29Å; F82-L86 WeakPolarHBondContact O-CB 3.3Å; F82-L86 PolarHBondContact O-N 3.17Å; F82-V244 HydrophobicContact CD2-CG2 3.4Å; F82-V244 HydrophobicContact CE2-CG2 3.28Å; F82-V244 HydrophobicContact CG-CG2 4.19Å; F82-V244 HydrophobicContact CZ-CG2 3.99Å; F82-L256 HydrophobicContact CD1-CD1 3.87Å; F82-L256 HydrophobicContact CD2-CD1 3.93Å; F82-L256 HydrophobicContact CE1-CD1 3.61Å; F82-L256 HydrophobicContact CE1-CG 4.43Å; F82-L256 HydrophobicContact CE2-CD1 3.67Å; F82-L256 HydrophobicContact CG-CD1 4.05Å; F82-L256 HydrophobicContact CZ-CD1 3.51Å; F82-L256 HydrophobicContact CZ-CG 4.18Å; F82-T259 HydrophobicContact CD1-CG2 3.93Å; F82-T259 HydrophobicContact CE1-CG2 4.22Å; F82-V260 HydrophobicContact CE1-CG2 3.62Å; F82-V260 HydrophobicContact CZ-CG2 3.58Å
83A93.7Very high93.4Very high20 Ų2059.7 Ų59.717%0.16533%0.325CS..Hα-helixtrans-61.7-49.6178.900000111.7V79 D80 C81 N85 L86 E87 T259 V263V79-A83 PolarHBondContact O-N 3.19Å; D80-A83 WeakPolarHBondContact O-CB 3.44Å; D80-A83 PolarHBondContact O-N 3.32Å; C81-A83 VanDerWaalsContact C-N 3.35Å; A83-N85 VanDerWaalsContact C-N 3.35Å; A83-N85 PolarHBondContact O-N 3.26Å; A83-L86 WeakPolarHBondContact O-CB 3.19Å; A83-L86 PolarHBondContact O-N 3.18Å; A83-E87 WeakPolarHBondContact O-CB 3.45Å; A83-E87 PolarHBondContact O-N 3.27Å; A83-T259 HydrophobicContact CB-CG2 3.79Å; A83-V263 HydrophobicContact CB-CG2 3.74Å
84T94.2Very high93.3Very high82 Ų8253.1 Ų53.150%0.50331%0.308SS..Hα-helixtrans-60.5-42.7178.2-55.70000112.3D80 L86 E87 S88D80-T84 PolarHBondContact O-N 2.87Å; D80-T84 PolarHBondContact O-OG1 2.73Å; T84-L86 VanDerWaalsContact C-N 3.33Å; T84-E87 PolarHBondContact O-N 3.2Å; T84-S88 PolarHBondContact O-N 3.4Å
85N93Very high93.4Very high81 Ų8153.3 Ų53.343%0.43331%0.305SS..Hα-helixtrans-68.4-35.9178.4-69.5-12.7000111.9C81 F82 A83 L89 V244C81-N85 WeakPolarHBondContact O-CB 3.39Å; C81-N85 PolarHBondContact O-N 2.78Å; C81-N85 PolarHBondContact O-ND2 3.39Å; F82-N85 PolarHBondContact O-N 3.27Å; A83-N85 VanDerWaalsContact C-N 3.35Å; A83-N85 PolarHBondContact O-N 3.26Å; N85-L89 WeakPolarHBondContact O-CB 3.48Å; N85-L89 PolarHBondContact O-N 3.07Å; N85-L89 VanDerWaalsContact O-N 3.13Å; N85-V244 HydrophobicContact CB-CB 4.01Å; N85-V244 VanDerWaalsContact CB-O 3.29Å; N85-V244 WeakPolarHBondContact CB-O 3.44Å; N85-V244 PolarHBondContact ND2-O 3.38Å
86L92.5Very high93.3Very high1 Ų156.3 Ų56.31%0.00532%0.321CS..Hα-helixtrans-65.6-48.5174.9-179.457.2000111.1F82 A83 T84 S88 L89 L90 L242 V244 V260 V263F82-L86 HydrophobicContact CE1-CD2 4.09Å; F82-L86 HydrophobicContact CZ-CD2 4.29Å; F82-L86 WeakPolarHBondContact O-CB 3.3Å; F82-L86 PolarHBondContact O-N 3.17Å; A83-L86 WeakPolarHBondContact O-CB 3.19Å; A83-L86 PolarHBondContact O-N 3.18Å; T84-L86 VanDerWaalsContact C-N 3.33Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 PolarHBondContact O-N 2.83Å; L86-L89 WeakPolarHBondContact O-CA 3.13Å; L86-L89 WeakPolarHBondContact O-CB 3.27Å; L86-L89 PolarHBondContact O-N 2.82Å; L86-L90 HydrophobicContact CD1-CD1 4.13Å; L86-L90 HydrophobicContact CD1-CD2 4.22Å; L86-L90 HydrophobicContact CD1-CG 3.94Å; L86-L90 HydrophobicContact CG-CD1 3.98Å; L86-L90 HydrophobicContact CG-CG 4.19Å; L86-L90 WeakPolarHBondContact O-CG 3.22Å; L86-L90 PolarHBondContact O-N 3.47Å; L86-L242 HydrophobicContact CD1-CD1 3.84Å; L86-V244 HydrophobicContact CB-CG2 4.07Å; L86-V260 HydrophobicContact CD2-CB 4.2Å; L86-V260 HydrophobicContact CD2-CG1 4.19Å; L86-V260 HydrophobicContact CD2-CG2 3.77Å; L86-V263 HydrophobicContact CB-CG1 4.15Å; L86-V263 HydrophobicContact CD2-CB 4.05Å; L86-V263 HydrophobicContact CD2-CG1 3.98Å; L86-V263 HydrophobicContact CG-CB 4.48Å; L86-V263 HydrophobicContact CG-CG1 3.85Å
87E94.3Very high93.2Very high80 Ų8055.2 Ų55.237%0.37433%0.331SS..Hα-helixtrans-55.6-48.8177.5-178.4179.4-165.300111A83 T84 L89 L90 L91 V263A83-E87 WeakPolarHBondContact O-CB 3.45Å; A83-E87 PolarHBondContact O-N 3.27Å; T84-E87 PolarHBondContact O-N 3.2Å; E87-L89 PolarHBondContact O-N 2.81Å; E87-L90 PolarHBondContact O-N 3.01Å; E87-L91 HydrophobicContact CG-CD1 3.85Å; E87-L91 HydrophobicContact CG-CG 4.41Å; E87-L91 WeakPolarHBondContact O-CB 3.47Å; E87-L91 WeakPolarHBondContact O-CG 3.34Å; E87-L91 PolarHBondContact O-N 3.13Å; E87-V263 HydrophobicContact CB-CG1 3.9Å
88S93.9Very high93.4Very high84 Ų8451.9 Ų51.959%0.58732%0.315SS*.Hα-helixtrans-59.4-33.1175.9-179.10000113T84 L86 T92T84-S88 PolarHBondContact O-N 3.4Å; L86-S88 VanDerWaalsContact C-N 3.33Å; L86-S88 PolarHBondContact O-N 2.83Å; S88-T92 PolarHBondContact O-OG1 3.38Å
89L92Very high93.6Very high24 Ų2452.6 Ų52.613%0.12632%0.319CS..Hα-helixtrans-73.2-44.9178.1-172.663.6000111.5N85 L86 E87 T92 N192 Y234 V244N85-L89 WeakPolarHBondContact O-CB 3.48Å; N85-L89 PolarHBondContact O-N 3.07Å; N85-L89 VanDerWaalsContact O-N 3.13Å; L86-L89 WeakPolarHBondContact O-CA 3.13Å; L86-L89 WeakPolarHBondContact O-CB 3.27Å; L86-L89 PolarHBondContact O-N 2.82Å; E87-L89 PolarHBondContact O-N 2.81Å; L89-T92 WeakPolarHBondContact O-CB 3.31Å; L89-T92 PolarHBondContact O-N 3.22Å; L89-T92 PolarHBondContact O-OG1 3.42Å; L89-T92 VanDerWaalsContact O-OG1 3.07Å; L89-N192 HydrophobicContact CD1-CB 4.41Å; L89-Y234 HydrophobicContact CD1-CE1 4.32Å; L89-Y234 HydrophobicContact CD1-CE2 3.68Å; L89-Y234 WeakPolarHBondContact CD1-OH 3.42Å; L89-Y234 HydrophobicContact CD2-CD1 3.88Å; L89-Y234 HydrophobicContact CD2-CD2 4.26Å; L89-Y234 HydrophobicContact CD2-CE1 3.6Å; L89-Y234 HydrophobicContact CD2-CE2 4.04Å; L89-Y234 HydrophobicContact CD2-CG 4.22Å; L89-Y234 HydrophobicContact CG-CD1 4.38Å; L89-Y234 HydrophobicContact CG-CD2 3.87Å; L89-Y234 HydrophobicContact CG-CE1 4.05Å; L89-Y234 HydrophobicContact CG-CE2 3.52Å; L89-Y234 HydrophobicContact CG-CG 4.32Å; L89-V244 HydrophobicContact CD2-CG1 3.62Å
90L92.8Very high93.8Very high4 Ų451.7 Ų51.72%0.02131%0.313CS..Hα-helixtrans-67.9-36.9-179.8-65.9-177.2000112.4L86 E87 T92 L231 Y234 V263 V264 C267L86-L90 HydrophobicContact CD1-CD1 4.13Å; L86-L90 HydrophobicContact CD1-CD2 4.22Å; L86-L90 HydrophobicContact CD1-CG 3.94Å; L86-L90 HydrophobicContact CG-CD1 3.98Å; L86-L90 HydrophobicContact CG-CG 4.19Å; L86-L90 WeakPolarHBondContact O-CG 3.22Å; L86-L90 PolarHBondContact O-N 3.47Å; E87-L90 PolarHBondContact O-N 3.01Å; L90-T92 PolarHBondContact O-N 3.33Å; L90-L231 HydrophobicContact CB-CD1 3.94Å; L90-L231 HydrophobicContact CD1-CD1 4.22Å; L90-L231 HydrophobicContact CD2-CD1 4.22Å; L90-L231 HydrophobicContact CG-CD1 4.34Å; L90-Y234 VanDerWaalsContact CD2-CB 3.48Å; L90-Y234 HydrophobicContact CD2-CD2 4.42Å; L90-Y234 HydrophobicContact CD2-CG 4.29Å; L90-V263 HydrophobicContact CD1-CG1 4.14Å; L90-V264 HydrophobicContact CD1-CB 4.49Å; L90-V264 HydrophobicContact CD1-CG2 3.75Å; L90-C267 HydrophobicContact CB-CB 4.27Å; L90-C267 HydrophobicContact CD1-CB 4.28Å
91L94.4Very high94Very high60 Ų6047.6 Ų47.631%0.31429%0.292SS..THydrogen-bonded Turntrans-86.213.1179-63.3-177.8000113.8E87 A93 C267 F270 V271E87-L91 HydrophobicContact CG-CD1 3.85Å; E87-L91 HydrophobicContact CG-CG 4.41Å; E87-L91 WeakPolarHBondContact O-CB 3.47Å; E87-L91 WeakPolarHBondContact O-CG 3.34Å; E87-L91 PolarHBondContact O-N 3.13Å; L91-A93 PolarHBondContact O-N 2.9Å; L91-C267 HydrophobicContact CD2-CB 3.98Å; L91-C267 HydrophobicContact CG-CB 4.48Å; L91-F270 HydrophobicContact CD1-CD1 4.36Å; L91-F270 HydrophobicContact CD2-CD1 4.03Å; L91-V271 HydrophobicContact CD2-CG2 3.63Å
92T94.2Very high94.3Very high44 Ų4445.1 Ų45.127%0.2728%0.275SS..SBendtrans-58.7137.1171.8-67.90000109.7S88 L89 L90 P230S88-T92 PolarHBondContact O-OG1 3.38Å; L89-T92 WeakPolarHBondContact O-CB 3.31Å; L89-T92 PolarHBondContact O-N 3.22Å; L89-T92 PolarHBondContact O-OG1 3.42Å; L89-T92 VanDerWaalsContact O-OG1 3.07Å; L90-T92 PolarHBondContact O-N 3.33Å; T92-P230 HydrophobicContact CG2-CG 3.96Å; T92-P230 WeakPolarHBondContact O-CG 3.37Å
93A93.7Very high94.5Very high74 Ų7445.1 Ų45.161%0.61228%0.275SS*.PPolyproline II helixtrans-63.5128.3-179.300000111.4L91L91-A93 PolarHBondContact O-N 2.9Å
94P93.9Very high94.6Very high63 Ų6345 Ų4541%0.40927%0.272SS..PPolyproline II helixtrans-73.8152.8177.428.7-33.7000112.2K96 L228P94-K96 HydrophobicContact CB-CG 4.41Å; P94-L228 WeakPolarHBondContact CB-O 2.96Å
95V95Very high94.6Very high38 Ų3841.6 Ų41.623%0.2325%0.251CS..  trans-11192.9173.5-177.60000108.8R156 V227V95-R156 HydrophobicContact CG1-CG 4.45Å; V95-V227 HydrophobicContact CB-CG1 3.82Å; V95-V227 HydrophobicContact CG2-CG1 3.76Å; V95-V227 PolarHBondContact N-O 3.38Å
96K91.2Very high94.6Very high150 Ų15038.3 Ų38.365%0.65224%0.236SC*.  trans-91.3157.2-179.1-60.7-173.6178.4-174.90111.7P94 H98P94-K96 HydrophobicContact CB-CG 4.41Å; K96-H98 PolarHBondContact O-CD2 3.25Å
97G92.2Very high94.7Very high62 Ų6240.9 Ų40.964%0.63925%0.247SC*.SBendtrans82.28.6172.600000115.5
98H96.2Very high94.6Very high51 Ų5142.7 Ų42.724%0.23626%0.264CS..SBendtrans-121.6143.6-178.1-71.9-74.4000111.4K96 I100 A118 D155 R156K96-H98 PolarHBondContact O-CD2 3.25Å; H98-I100 HydrophobicContact CB-CG1 4.35Å; H98-A118 WeakPolarHBondContact O-CA 3.38Å; H98-D155 WeakPolarHBondContact CB-OD1 3.21Å; H98-D155 IonicContact CE1-OD2 3.31Å; H98-D155 PolarHBondContact CE1-OD2 3.14Å; H98-D155 VanDerWaalsContact CE1-OD2 3.31Å; H98-D155 IonicContact CG-OD1 3.62Å; H98-D155 IonicContact CG-OD2 3.98Å; H98-D155 VanDerWaalsContact ND1-CG 3.3Å; H98-D155 IonicContact ND1-OD1 3.06Å; H98-D155 PolarHBondContact ND1-OD1 2.82Å; H98-D155 IonicContact ND1-OD2 2.77Å; H98-D155 PolarHBondContact ND1-OD2 3.05Å; H98-R156 HydrophobicContact CB-CG 3.6Å; H98-R156 VanDerWaalsContact CE1-CZ 3.49Å; H98-R156 PolarHBondContact CE1-NH2 2.87Å; H98-R156 PolarHBondContact NE2-NH2 3.37Å
99C97.2Very high94.3Very high29 Ų2944.8 Ų44.820%0.19627%0.268CS..  trans-78.4123.6165.1-69.40000108.8I116 C154 D155 R156C99-I116 CarbonylContact C-O 3.48Å; C99-I116 VanDerWaalsContact CA-O 3.24Å; C99-I116 WeakPolarHBondContact CA-O 3.4Å; C99-C154 HydrophobicContact CB-CB 4.24Å; C99-C154 WeakPolarHBondContact O-CA 3.15Å; C99-D155 PolarHBondContact O-N 3.47Å; C99-R156 PolarHBondContact O-N 3Å
100I98.2Very high94.4Very high0 Ų043.8 Ų43.80%026%0.264CS..EExtended strand (participates in β ladder)trans-115.3132.8-168.8-60.2158.1000110H98 M115 I116 R156 A158 A224 V227 L228H98-I100 HydrophobicContact CB-CG1 4.35Å; I100-M115 CarbonylContact O-C 3.53Å; I100-M115 WeakPolarHBondContact O-CA 3.4Å; I100-I116 HydrophobicContact CB-CD1 4.13Å; I100-I116 HydrophobicContact CB-CG1 3.82Å; I100-I116 HydrophobicContact CD1-CD1 4.37Å; I100-I116 PolarHBondContact N-O 2.92Å; I100-I116 WeakPolarHBondContact O-CG1 3.35Å; I100-I116 PolarHBondContact O-N 3.21Å; I100-R156 CarbonylContact C-O 3.5Å; I100-R156 WeakPolarHBondContact CA-O 3.44Å; I100-R156 HydrophobicContact CB-CB 4.37Å; I100-R156 HydrophobicContact CG1-CB 3.83Å; I100-R156 HydrophobicContact CG1-CG 4.42Å; I100-R156 HydrophobicContact CG2-CB 4.38Å; I100-A158 HydrophobicContact CG2-CB 4.2Å; I100-A224 HydrophobicContact CG2-CB 4.04Å; I100-V227 HydrophobicContact CD1-CB 4.43Å; I100-V227 HydrophobicContact CD1-CG1 4.16Å; I100-V227 HydrophobicContact CG2-CB 4.47Å; I100-L228 HydrophobicContact CD1-CB 3.88Å; I100-L228 HydrophobicContact CD1-CD1 4.37Å
101I97.9Very high94.5Very high0 Ų043.6 Ų43.60%026%0.263CS..EExtended strand (participates in β ladder)trans-94123.2166.9-48.7-175.9000107.8V103 A114 M115 F145 A149 C154 R156 I157 A158I101-V103 HydrophobicContact CG2-CG2 3.91Å; I101-A114 CarbonylContact C-O 3.52Å; I101-A114 WeakPolarHBondContact CA-O 3.27Å; I101-M115 HydrophobicContact CD1-CE 3.99Å; I101-M115 HydrophobicContact CD1-SD 4.46Å; I101-M115 HydrophobicContact CG1-CE 4.42Å; I101-M115 HydrophobicContact CG1-CG 4.08Å; I101-M115 HydrophobicContact CG1-SD 4.44Å; I101-M115 HydrophobicContact CG2-CG 4.34Å; I101-F145 HydrophobicContact CD1-CE2 4.15Å; I101-F145 HydrophobicContact CD1-CZ 4.08Å; I101-F145 HydrophobicContact CG2-CE2 3.69Å; I101-F145 HydrophobicContact CG2-CZ 4.14Å; I101-A149 HydrophobicContact CD1-CB 3.64Å; I101-C154 HydrophobicContact CD1-CB 3.82Å; I101-C154 HydrophobicContact CG1-CB 3.48Å; I101-C154 VanDerWaalsContact CG1-CB 3.48Å; I101-R156 PolarHBondContact N-O 3.23Å; I101-I157 HydrophobicContact CB-CG1 4.27Å; I101-I157 HydrophobicContact CB-CG2 4.33Å; I101-I157 HydrophobicContact CD1-CD1 4.42Å; I101-I157 HydrophobicContact CD1-CG1 4.19Å; I101-I157 HydrophobicContact CG1-CG1 4.45Å; I101-I157 CarbonylContact O-C 3.59Å; I101-I157 WeakPolarHBondContact O-CA 3.34Å; I101-A158 PolarHBondContact O-N 3.44Å
102G97.2Very high94.4Very high0 Ų043.2 Ų43.20%026%0.259CS..EExtended strand (participates in β ladder)trans-101.4130.916600000110.9Y113 A114 A158 G220G102-Y113 CarbonylContact O-C 3.45Å; G102-Y113 WeakPolarHBondContact O-CA 3.43Å; G102-A114 PolarHBondContact N-O 3.4Å; G102-A114 PolarHBondContact O-N 2.82Å; G102-A158 CarbonylContact C-O 3.21Å; G102-A158 WeakPolarHBondContact CA-O 3.39Å; G102-G220 VanDerWaalsContact CA-O 3.29Å; G102-G220 WeakPolarHBondContact CA-O 3.46Å; G102-G220 WeakPolarHBondContact O-CA 3.17Å
103V96.8Very high94.5Very high0 Ų041.2 Ų41.20%025%0.246CC..EExtended strand (participates in β ladder)trans-120.3120.2-177-175.80000108.9I101 P105 C111 K112 F128 I157 A158 G160 T168 I223I101-V103 HydrophobicContact CG2-CG2 3.91Å; V103-P105 WeakPolarHBondContact O-CD 3.44Å; V103-C111 HydrophobicContact CG1-CB 4.09Å; V103-K112 CarbonylContact C-O 3.57Å; V103-K112 WeakPolarHBondContact CA-O 3.41Å; V103-F128 HydrophobicContact CG1-CE1 3.92Å; V103-F128 HydrophobicContact CG1-CZ 4.01Å; V103-F128 HydrophobicContact CG2-CE1 4.48Å; V103-I157 HydrophobicContact CG2-CG2 3.88Å; V103-A158 PolarHBondContact N-O 2.96Å; V103-G160 PolarHBondContact O-N 3.28Å; V103-T168 HydrophobicContact CG1-CG2 3.82Å; V103-I223 WeakPolarHBondContact O-CD1 3.33Å
104D95.3Very high94.6Very high19 Ų1937.7 Ų37.710%0.10222%0.217CC..EExtended strand (participates in β ladder)trans-90.6104.4167.4176.336.1000108.3C111 K112 A219 I223D104-C111 CarbonylContact O-C 3.5Å; D104-C111 WeakPolarHBondContact O-CA 3.45Å; D104-K112 HydrophobicContact CB-CB 4.29Å; D104-K112 PolarHBondContact N-O 3.19Å; D104-K112 PolarHBondContact O-N 3.49Å; D104-A219 HydrophobicContact CB-CB 3.83Å; D104-I223 HydrophobicContact CB-CD1 4.02Å
105P95.1Very high94.6Very high10 Ų1034.7 Ų34.77%0.06520%0.197CC..  trans-63.8145.8-175.4-22.636000112.6V103 I159 G160 K163 T168V103-P105 WeakPolarHBondContact O-CD 3.44Å; P105-I159 HydrophobicContact CG-CG2 3.82Å; P105-G160 VanDerWaalsContact CG-O 3.3Å; P105-G160 WeakPolarHBondContact CG-O 3.34Å; P105-K163 CarbonylContact C-O 3.59Å; P105-T168 WeakPolarHBondContact CB-OG1 3.29Å
106G92.9Very high94.7Very high12 Ų1232.9 Ų32.912%0.12419%0.186CC..  trans-165.6156.4175.400000112.5G110 C111G106-G110 WeakPolarHBondContact CA-O 3.34Å; G106-C111 PolarHBondContact N-SG 3.17Å; G106-C111 PolarHBondContact O-SG 2.89Å
107F93.8Very high94.9Very high54 Ų5426.2 Ų26.224%0.23716%0.159CC..SBendtrans-92.9-100178-63.2-73.2000110.7N109 G110 L130 E132 V133 K163 G164 E167F107-N109 VanDerWaalsContact C-N 3.25Å; F107-N109 PolarHBondContact O-N 2.83Å; F107-G110 WeakPolarHBondContact O-CA 3.46Å; F107-G110 PolarHBondContact O-N 3.45Å; F107-L130 HydrophobicContact CD1-CD1 4.11Å; F107-L130 HydrophobicContact CE1-CD1 4.32Å; F107-E132 WeakPolarHBondContact CD1-OE1 3.45Å; F107-E132 WeakPolarHBondContact CE1-OE1 3.41Å; F107-V133 HydrophobicContact CB-CG2 4.39Å; F107-V133 WeakPolarHBondContact O-CG2 3.47Å; F107-K163 HydrophobicContact CD2-CD 4.26Å; F107-K163 HydrophobicContact CD2-CG 3.87Å; F107-K163 HydrophobicContact CE2-CD 4.23Å; F107-K163 HydrophobicContact CE2-CG 3.52Å; F107-G164 VanDerWaalsContact CZ-CA 3.49Å; F107-E167 HydrophobicContact CE1-CB 4.36Å; F107-E167 HydrophobicContact CE1-CG 3.99Å; F107-E167 HydrophobicContact CZ-CG 4.38Å
108V92Very high95Very high119 Ų11924.6 Ų24.672%0.72114%0.139SC*.THydrogen-bonded Turntrans-55.4-39.2-174179.70000112.6G110V108-G110 PolarHBondContact O-N 2.6Å
109N89.3Confident94.7Very high127 Ų12729.1 Ų29.168%0.67916%0.161SC*.THydrogen-bonded Turntrans-82.71.9179.8-62.8-22.2000113.7F107F107-N109 VanDerWaalsContact C-N 3.25Å; F107-N109 PolarHBondContact O-N 2.83Å
110G92.9Very high94.4Very high3 Ų328 Ų283%0.03115%0.154CC..  trans76170.7-175.400000114G106 F107 V108 F128G106-G110 WeakPolarHBondContact CA-O 3.34Å; F107-G110 WeakPolarHBondContact O-CA 3.46Å; F107-G110 PolarHBondContact O-N 3.45Å; V108-G110 PolarHBondContact O-N 2.6Å; G110-F128 CarbonylContact C-O 3.48Å; G110-F128 WeakPolarHBondContact CA-O 3.13Å
111C94.7Very high94Very high0 Ų032.6 Ų32.60%018%0.179CC..EExtended strand (participates in β ladder)trans-90.5113.3170.6-64.30000108.6V103 D104 G106 I127 F128 T168V103-C111 HydrophobicContact CG1-CB 4.09Å; D104-C111 CarbonylContact O-C 3.5Å; D104-C111 WeakPolarHBondContact O-CA 3.45Å; G106-C111 PolarHBondContact N-SG 3.17Å; G106-C111 PolarHBondContact O-SG 2.89Å; C111-I127 WeakPolarHBondContact O-CA 3.47Å; C111-F128 HydrophobicContact CB-CD1 4.07Å; C111-F128 HydrophobicContact CB-CD2 4.07Å; C111-F128 HydrophobicContact CB-CE1 3.63Å; C111-F128 HydrophobicContact CB-CE2 3.62Å; C111-F128 HydrophobicContact CB-CG 4.27Å; C111-F128 HydrophobicContact CB-CZ 3.39Å; C111-F128 PolarHBondContact N-O 3Å; C111-F128 PolarHBondContact O-N 3.12Å; C111-T168 PolarHBondContact SG-OG1 3.31Å
112K94Very high93.7Very high52 Ų5235.7 Ų35.723%0.22620%0.195CC..EExtended strand (participates in β ladder)trans-82.4141.9178.2-56.9161.8-173.4166.60108.6V103 D104 G126 I127 S218V103-K112 CarbonylContact C-O 3.57Å; V103-K112 WeakPolarHBondContact CA-O 3.41Å; D104-K112 HydrophobicContact CB-CB 4.29Å; D104-K112 PolarHBondContact N-O 3.19Å; D104-K112 PolarHBondContact O-N 3.49Å; K112-G126 CarbonylContact C-O 3.53Å; K112-G126 WeakPolarHBondContact CA-O 3.48Å; K112-I127 HydrophobicContact CB-CG1 4.48Å; K112-I127 HydrophobicContact CG-CD1 4.17Å; K112-I127 HydrophobicContact CG-CG1 4Å; K112-S218 WeakPolarHBondContact CB-OG 3.23Å
113Y95.1Very high93.6Very high2 Ų238.6 Ų38.61%0.00821%0.21CC..EExtended strand (participates in β ladder)trans-133.3154.9176.868.4-92.4000112.1G102 M115 A125 G126 F128 F145G102-Y113 CarbonylContact O-C 3.45Å; G102-Y113 WeakPolarHBondContact O-CA 3.43Å; Y113-M115 HydrophobicContact CD2-CE 3.94Å; Y113-M115 HydrophobicContact CD2-CG 4.26Å; Y113-M115 HydrophobicContact CE2-CE 3.74Å; Y113-A125 VanDerWaalsContact O-CA 3.32Å; Y113-A125 WeakPolarHBondContact O-CA 3.4Å; Y113-G126 VanDerWaalsContact CD1-C 3.44Å; Y113-G126 WeakPolarHBondContact CD1-O 3.37Å; Y113-G126 VanDerWaalsContact CZ-CA 3.5Å; Y113-G126 PolarHBondContact N-O 2.76Å; Y113-G126 PolarHBondContact O-N 2.81Å; Y113-F128 AromaticContact CD1-CD1 3.85Å; Y113-F128 HydrophobicContact CD1-CD1 3.85Å; Y113-F128 HydrophobicContact CD1-CE1 4.49Å; Y113-F128 HydrophobicContact CE1-CD1 4.38Å; Y113-F145 AromaticContact CD1-CD2 3.62Å; Y113-F145 HydrophobicContact CD1-CD2 3.62Å; Y113-F145 HydrophobicContact CD1-CE2 4.18Å; Y113-F145 AromaticContact CD2-CD2 3.93Å; Y113-F145 HydrophobicContact CD2-CD2 3.93Å; Y113-F145 HydrophobicContact CD2-CE2 4.22Å; Y113-F145 HydrophobicContact CE1-CB 4.07Å; Y113-F145 AromaticContact CE1-CD2 3.69Å; Y113-F145 HydrophobicContact CE1-CD2 3.69Å; Y113-F145 HydrophobicContact CE1-CG 4.33Å; Y113-F145 HydrophobicContact CE2-CD2 4.04Å; Y113-F145 AromaticContact CG-CD2 3.73Å; Y113-F145 HydrophobicContact CG-CD2 3.73Å; Y113-F145 AromaticContact CG-CE2 3.93Å; Y113-F145 HydrophobicContact CG-CE2 3.93Å; Y113-F145 AromaticContact CZ-CD2 3.91Å
114A94.9Very high93.4Very high0 Ų039.3 Ų39.30%022%0.216CC..EExtended strand (participates in β ladder)trans-135.7142.416500000108.6I101 G102 A124 A125 L221I101-A114 CarbonylContact C-O 3.52Å; I101-A114 WeakPolarHBondContact CA-O 3.27Å; G102-A114 PolarHBondContact N-O 3.4Å; G102-A114 PolarHBondContact O-N 2.82Å; A114-A124 CarbonylContact C-O 3.59Å; A114-A124 WeakPolarHBondContact CA-O 3.12Å; A114-A125 HydrophobicContact CB-CB 4.45Å; A114-L221 HydrophobicContact CB-CB 3.92Å; A114-L221 HydrophobicContact CB-CD1 4.38Å
115M95.8Very high93.3Very high0 Ų039.6 Ų39.60%022%0.22CC..EExtended strand (participates in β ladder)trans-109.2133.5176.2-56.8-170.9-176.900108.2I100 I101 Y113 L123 A124 F145 F148 A149I100-M115 CarbonylContact O-C 3.53Å; I100-M115 WeakPolarHBondContact O-CA 3.4Å; I101-M115 HydrophobicContact CD1-CE 3.99Å; I101-M115 HydrophobicContact CD1-SD 4.46Å; I101-M115 HydrophobicContact CG1-CE 4.42Å; I101-M115 HydrophobicContact CG1-CG 4.08Å; I101-M115 HydrophobicContact CG1-SD 4.44Å; I101-M115 HydrophobicContact CG2-CG 4.34Å; Y113-M115 HydrophobicContact CD2-CE 3.94Å; Y113-M115 HydrophobicContact CD2-CG 4.26Å; Y113-M115 HydrophobicContact CE2-CE 3.74Å; M115-L123 HydrophobicContact CB-CB 4.25Å; M115-L123 PolarHBondContact O-N 3.17Å; M115-A124 HydrophobicContact CB-CB 4.41Å; M115-A124 HydrophobicContact CG-CB 4.43Å; M115-A124 PolarHBondContact N-O 2.99Å; M115-A124 HydrophobicContact SD-CB 4.33Å; M115-F145 HydrophobicContact CE-CD2 3.93Å; M115-F145 HydrophobicContact CE-CE2 4.09Å; M115-F145 WeakPolarHBondContact CE-O 3.32Å; M115-F148 HydrophobicContact CE-CB 3.63Å; M115-F148 HydrophobicContact SD-CB 3.75Å; M115-A149 HydrophobicContact CE-CB 4.09Å
116I95.4Very high93.2Very high0 Ų039.5 Ų39.50%022%0.222CC..EExtended strand (participates in β ladder)trans-120.6149.6177.863176.2000111.9C99 I100 D121 L221 A224 R225 L228C99-I116 CarbonylContact C-O 3.48Å; C99-I116 VanDerWaalsContact CA-O 3.24Å; C99-I116 WeakPolarHBondContact CA-O 3.4Å; I100-I116 HydrophobicContact CB-CD1 4.13Å; I100-I116 HydrophobicContact CB-CG1 3.82Å; I100-I116 HydrophobicContact CD1-CD1 4.37Å; I100-I116 PolarHBondContact N-O 2.92Å; I100-I116 WeakPolarHBondContact O-CG1 3.35Å; I100-I116 PolarHBondContact O-N 3.21Å; I116-D121 CarbonylContact C-O 3.53Å; I116-D121 WeakPolarHBondContact CA-O 3.49Å; I116-L221 HydrophobicContact CG2-CD1 3.3Å; I116-A224 HydrophobicContact CD1-CB 3.63Å; I116-A224 HydrophobicContact CG1-CB 3.9Å; I116-A224 HydrophobicContact CG2-CB 4.22Å; I116-R225 HydrophobicContact CD1-CG 3.95Å; I116-L228 HydrophobicContact CD1-CB 4.17Å; I116-L228 HydrophobicContact CD1-CD2 4.13Å
117S96.1Very high93.2Very high11 Ų1140.8 Ų40.88%0.07723%0.225CC..  trans-65170.6168.7750000111Q119 G120 D121S117-Q119 PolarHBondContact O-N 3.46Å; S117-Q119 VanDerWaalsContact O-N 3.12Å; S117-Q119 PolarHBondContact OG-N 3.29Å; S117-Q119 VanDerWaalsContact OG-N 3.16Å; S117-Q119 PolarHBondContact OG-OE1 2.9Å; S117-G120 PolarHBondContact O-N 2.9Å; S117-G120 PolarHBondContact OG-N 3.31Å; S117-D121 PolarHBondContact N-O 3.25Å; S117-D121 WeakPolarHBondContact OG-CB 3.46Å; S117-D121 PolarHBondContact OG-N 2.92Å; S117-D121 PolarHBondContact OG-OD2 3.35Å
118A93.5Very high93.3Very high27 Ų2738.2 Ų38.222%0.22321%0.214CC..THydrogen-bonded Turntrans-60.8-17.2171.500000113.5H98 L228H98-A118 WeakPolarHBondContact O-CA 3.38Å; A118-L228 WeakPolarHBondContact O-CD1 3.3Å
119Q90.2Very high93.5Very high146 Ų14634.2 Ų34.268%0.68219%0.186SC*.THydrogen-bonded Turntrans-96.5-10.3177.2-65.472.821.600112.5S117S117-Q119 PolarHBondContact O-N 3.46Å; S117-Q119 VanDerWaalsContact O-N 3.12Å; S117-Q119 PolarHBondContact OG-N 3.29Å; S117-Q119 VanDerWaalsContact OG-N 3.16Å; S117-Q119 PolarHBondContact OG-OE1 2.9Å
120G90.8Very high93.9Very high6 Ų628.2 Ų28.26%0.06215%0.154CC..SBendtrans95.87.3179.300000115.4S117 R225 L228S117-G120 PolarHBondContact O-N 2.9Å; S117-G120 PolarHBondContact OG-N 3.31Å; G120-R225 PolarHBondContact O-NE 2.89Å; G120-R225 VanDerWaalsContact O-NE 3.14Å; G120-R225 PolarHBondContact O-NH2 3.05Å; G120-L228 VanDerWaalsContact CA-CD2 3.44Å
121D90.7Very high93.9Very high97 Ų9731.7 Ų31.752%0.51918%0.176SC..  trans-71.9141174.1-50.9-59.4000110.2I116 S117 L123I116-D121 CarbonylContact C-O 3.53Å; I116-D121 WeakPolarHBondContact CA-O 3.49Å; S117-D121 PolarHBondContact N-O 3.25Å; S117-D121 WeakPolarHBondContact OG-CB 3.46Å; S117-D121 PolarHBondContact OG-N 2.92Å; S117-D121 PolarHBondContact OG-OD2 3.35Å; D121-L123 PolarHBondContact O-N 3.14Å
122I91.9Very high93.7Very high65 Ų6537.1 Ų37.133%0.33320%0.202SC..EExtended strand (participates in β ladder)trans-71.4130.2177.7-167.2166.5000110.6A125 M209 L212I122-A125 HydrophobicContact CD1-CB 4.38Å; I122-M209 HydrophobicContact CD1-CG 3.93Å; I122-M209 HydrophobicContact CD1-SD 4.05Å; I122-L212 HydrophobicContact CD1-CD1 3.8Å
123L93.6Very high93.5Very high61 Ų6135.7 Ų35.732%0.31920%0.197SC..EExtended strand (participates in β ladder)trans-104.7-45.1179-61.3179.8000111.6M115 D121 H152M115-L123 HydrophobicContact CB-CB 4.25Å; M115-L123 PolarHBondContact O-N 3.17Å; D121-L123 PolarHBondContact O-N 3.14Å; L123-H152 HydrophobicContact CD1-CB 3.84Å
124A92.9Very high93.3Very high15 Ų1546 Ų4612%0.12424%0.242CC..EExtended strand (participates in β ladder)trans-157.3155.4179.900000110A114 M115 F148A114-A124 CarbonylContact C-O 3.59Å; A114-A124 WeakPolarHBondContact CA-O 3.12Å; M115-A124 HydrophobicContact CB-CB 4.41Å; M115-A124 HydrophobicContact CG-CB 4.43Å; M115-A124 PolarHBondContact N-O 2.99Å; M115-A124 HydrophobicContact SD-CB 4.33Å; A124-F148 HydrophobicContact CB-CB 4.4Å; A124-F148 HydrophobicContact CB-CD2 4.25Å; A124-F148 HydrophobicContact CB-CG 4.2Å
125A93.2Very high93.2Very high24 Ų2448.2 Ų48.220%0.19825%0.254CS..EExtended strand (participates in β ladder)trans-143156.3171.400000110Y113 A114 I122 L212Y113-A125 VanDerWaalsContact O-CA 3.32Å; Y113-A125 WeakPolarHBondContact O-CA 3.4Å; A114-A125 HydrophobicContact CB-CB 4.45Å; I122-A125 HydrophobicContact CD1-CB 4.38Å; A125-L212 HydrophobicContact CB-CD1 3.73Å; A125-L212 HydrophobicContact CB-CD2 4.36Å
126G92.9Very high93Very high9 Ų954.1 Ų54.19%0.09330%0.295CS..EExtended strand (participates in β ladder)trans179.2-166.3-179.900000113K112 Y113K112-G126 CarbonylContact C-O 3.53Å; K112-G126 WeakPolarHBondContact CA-O 3.48Å; Y113-G126 VanDerWaalsContact CD1-C 3.44Å; Y113-G126 WeakPolarHBondContact CD1-O 3.37Å; Y113-G126 VanDerWaalsContact CZ-CA 3.5Å; Y113-G126 PolarHBondContact N-O 2.76Å; Y113-G126 PolarHBondContact O-N 2.81Å
127I94.4Very high92.8Very high39 Ų3961 Ų6120%0.232%0.321CS..EExtended strand (participates in β ladder)trans-137.7130.5-179.1-54.5-179.4000108.1C111 K112 Y129 A141 L216C111-I127 WeakPolarHBondContact O-CA 3.47Å; K112-I127 HydrophobicContact CB-CG1 4.48Å; K112-I127 HydrophobicContact CG-CD1 4.17Å; K112-I127 HydrophobicContact CG-CG1 4Å; I127-Y129 HydrophobicContact CG2-CE1 4.42Å; I127-Y129 HydrophobicContact CG2-CE2 4.45Å; I127-A141 WeakPolarHBondContact O-CB 3.23Å; I127-L216 HydrophobicContact CD1-CD2 4.16Å; I127-L216 HydrophobicContact CG1-CD2 4.03Å
128F95.6Very high92.8Very high0 Ų062.6 Ų62.60%033%0.327CS..EExtended strand (participates in β ladder)trans-115.4166.5164.672.5-93000110.2V103 G110 C111 Y113 L130 A141 F145 T168 Y171V103-F128 HydrophobicContact CG1-CE1 3.92Å; V103-F128 HydrophobicContact CG1-CZ 4.01Å; V103-F128 HydrophobicContact CG2-CE1 4.48Å; G110-F128 CarbonylContact C-O 3.48Å; G110-F128 WeakPolarHBondContact CA-O 3.13Å; C111-F128 HydrophobicContact CB-CD1 4.07Å; C111-F128 HydrophobicContact CB-CD2 4.07Å; C111-F128 HydrophobicContact CB-CE1 3.63Å; C111-F128 HydrophobicContact CB-CE2 3.62Å; C111-F128 HydrophobicContact CB-CG 4.27Å; C111-F128 HydrophobicContact CB-CZ 3.39Å; C111-F128 PolarHBondContact N-O 3Å; C111-F128 PolarHBondContact O-N 3.12Å; Y113-F128 AromaticContact CD1-CD1 3.85Å; Y113-F128 HydrophobicContact CD1-CD1 3.85Å; Y113-F128 HydrophobicContact CD1-CE1 4.49Å; Y113-F128 HydrophobicContact CE1-CD1 4.38Å; F128-L130 HydrophobicContact CE2-CD2 4.26Å; F128-A141 HydrophobicContact CB-CB 4.39Å; F128-F145 HydrophobicContact CB-CB 4.46Å; F128-F145 HydrophobicContact CD1-CD1 4.42Å; F128-F145 HydrophobicContact CD1-CD2 4.05Å; F128-F145 HydrophobicContact CD1-CE2 4.34Å; F128-F145 HydrophobicContact CD1-CG 4.08Å; F128-F145 HydrophobicContact CE1-CD2 4.42Å; F128-F145 HydrophobicContact CE1-CE2 4.25Å; F128-F145 HydrophobicContact CE1-CZ 4.32Å; F128-T168 HydrophobicContact CZ-CG2 4.17Å; F128-Y171 HydrophobicContact CD2-CD1 4.3Å; F128-Y171 HydrophobicContact CD2-CE1 4.06Å; F128-Y171 AromaticContact CE2-CD1 3.91Å; F128-Y171 HydrophobicContact CE2-CD1 3.91Å; F128-Y171 HydrophobicContact CE2-CE1 4.14Å
129Y96.6Very high92.8Very high34 Ų3470.9 Ų70.913%0.13335%0.352CS..  trans-116.5150.2-178.1-61.1-86.3000110.3I127 V133 N135 R137 F138 A141I127-Y129 HydrophobicContact CG2-CE1 4.42Å; I127-Y129 HydrophobicContact CG2-CE2 4.45Å; Y129-V133 HydrophobicContact CD1-CG1 4.36Å; Y129-N135 HydrophobicContact CD1-CB 3.98Å; Y129-N135 HydrophobicContact CD2-CB 4.19Å; Y129-N135 HydrophobicContact CE1-CB 4.4Å; Y129-N135 WeakPolarHBondContact CE1-ND2 3.47Å; Y129-N135 HydrophobicContact CG-CB 3.86Å; Y129-N135 VanDerWaalsContact CZ-ND2 3.28Å; Y129-R137 HydrophobicContact CE2-CB 4.17Å; Y129-F138 WeakPolarHBondContact O-CD2 3.3Å; Y129-F138 WeakPolarHBondContact O-CE2 3.45Å; Y129-A141 HydrophobicContact CD2-CB 4.32Å
130L96.4Very high93.1Very high1 Ų167 Ų671%0.00534%0.342CS..  trans-77.1150.4172.4-61.4175.1000110.1F107 F128 E132 V133 E167 Y171F107-L130 HydrophobicContact CD1-CD1 4.11Å; F107-L130 HydrophobicContact CE1-CD1 4.32Å; F128-L130 HydrophobicContact CE2-CD2 4.26Å; L130-E132 HydrophobicContact CB-CG 4.08Å; L130-E132 PolarHBondContact O-N 2.87Å; L130-E132 VanDerWaalsContact O-N 3.16Å; L130-V133 HydrophobicContact CB-CG2 4.23Å; L130-V133 WeakPolarHBondContact O-CB 3.41Å; L130-V133 PolarHBondContact O-N 3.36Å; L130-E167 HydrophobicContact CD1-CB 3.79Å; L130-Y171 HydrophobicContact CD2-CD1 4.02Å; L130-Y171 HydrophobicContact CD2-CG 4.35Å
131P93.2Very high93.4Very high77 Ų7766.8 Ų66.850%0.534%0.339SS..THydrogen-bonded Turntrans-58.2-31.4-176.5-22.330.4000114.3V133 F138 Y171P131-V133 VanDerWaalsContact C-N 3.25Å; P131-V133 PolarHBondContact O-N 3.46Å; P131-F138 HydrophobicContact CB-CE2 4.12Å; P131-F138 HydrophobicContact CB-CZ 3.95Å; P131-F138 HydrophobicContact CG-CE2 3.87Å; P131-F138 HydrophobicContact CG-CZ 3.8Å; P131-Y171 HydrophobicContact CG-CD2 3.44Å; P131-Y171 VanDerWaalsContact CG-CD2 3.44Å; P131-Y171 HydrophobicContact CG-CE2 3.46Å; P131-Y171 VanDerWaalsContact CG-CE2 3.46Å; P131-Y171 HydrophobicContact CG-CG 4.1Å
132E90Very high93.7Very high114 Ų11462.5 Ų62.553%0.53332%0.316SS..THydrogen-bonded Turntrans-71.2-19.5178.164.9-167.816900113.3F107 L130 K134F107-E132 WeakPolarHBondContact CD1-OE1 3.45Å; F107-E132 WeakPolarHBondContact CE1-OE1 3.41Å; L130-E132 HydrophobicContact CB-CG 4.08Å; L130-E132 PolarHBondContact O-N 2.87Å; L130-E132 VanDerWaalsContact O-N 3.16Å; E132-K134 PolarHBondContact O-N 3.1Å
133V90.3Very high93.9Very high22 Ų2262.6 Ų62.613%0.13332%0.317CS..SBendtrans-86.5112.7177.9-177.50000108.1F107 Y129 L130 P131 N135F107-V133 HydrophobicContact CB-CG2 4.39Å; F107-V133 WeakPolarHBondContact O-CG2 3.47Å; Y129-V133 HydrophobicContact CD1-CG1 4.36Å; L130-V133 HydrophobicContact CB-CG2 4.23Å; L130-V133 WeakPolarHBondContact O-CB 3.41Å; L130-V133 PolarHBondContact O-N 3.36Å; P131-V133 VanDerWaalsContact C-N 3.25Å; P131-V133 PolarHBondContact O-N 3.46Å; V133-N135 VanDerWaalsContact C-N 3.29Å; V133-N135 HydrophobicContact CG1-CB 4.42Å; V133-N135 PolarHBondContact O-N 3.04Å
134K90.6Very high94Very high219 Ų21963.5 Ų63.595%0.95232%0.32SS*.  trans-67.385.2175.8-68.9-177.3179-179.70110.6E132E132-K134 PolarHBondContact O-N 3.1Å
135N92.7Very high94.2Very high45 Ų4562.8 Ų62.824%0.24131%0.314CS..  trans-127127.9176.2-165.3-58.5000110.3Y129 V133 R137 F138Y129-N135 HydrophobicContact CD1-CB 3.98Å; Y129-N135 HydrophobicContact CD2-CB 4.19Å; Y129-N135 HydrophobicContact CE1-CB 4.4Å; Y129-N135 WeakPolarHBondContact CE1-ND2 3.47Å; Y129-N135 HydrophobicContact CG-CB 3.86Å; Y129-N135 VanDerWaalsContact CZ-ND2 3.28Å; V133-N135 VanDerWaalsContact C-N 3.29Å; V133-N135 HydrophobicContact CG1-CB 4.42Å; V133-N135 PolarHBondContact O-N 3.04Å; N135-R137 PolarHBondContact O-N 3.31Å; N135-R137 WeakPolarHBondContact OD1-CB 3.27Å; N135-R137 PolarHBondContact OD1-N 3.13Å; N135-F138 VanDerWaalsContact O-CB 3.22Å; N135-F138 WeakPolarHBondContact O-CB 3.25Å; N135-F138 PolarHBondContact O-N 3.49Å
136S92.3Very high94.4Very high124 Ų12461.7 Ų61.787%0.86731%0.305SS*.THydrogen-bonded Turntrans-61.1-26.1-179.656.10000113.1F138S136-F138 VanDerWaalsContact C-N 3.32Å
137R92Very high94.6Very high144 Ų14465.5 Ų65.554%0.54332%0.323SS..THydrogen-bonded Turntrans-83.4-1.3177.6-61.4-175.465.6168.3-0.3113.9Y129 N135 R139 S140 A141Y129-R137 HydrophobicContact CE2-CB 4.17Å; N135-R137 PolarHBondContact O-N 3.31Å; N135-R137 WeakPolarHBondContact OD1-CB 3.27Å; N135-R137 PolarHBondContact OD1-N 3.13Å; R137-R139 PolarHBondContact O-N 3.23Å; R137-S140 PolarHBondContact O-N 2.96Å; R137-S140 PolarHBondContact O-OG 3.46Å; R137-S140 VanDerWaalsContact O-OG 3.11Å; R137-A141 WeakPolarHBondContact O-CB 3.41Å; R137-A141 PolarHBondContact O-N 3.36Å
138F94.5Very high94.8Very high46 Ų4666.7 Ų66.720%0.20233%0.327CS..Hα-helixtrans-49-53.2-175.3166.1-105.5000113.4Y129 P131 N135 S136 T142 Y171Y129-F138 WeakPolarHBondContact O-CD2 3.3Å; Y129-F138 WeakPolarHBondContact O-CE2 3.45Å; P131-F138 HydrophobicContact CB-CE2 4.12Å; P131-F138 HydrophobicContact CB-CZ 3.95Å; P131-F138 HydrophobicContact CG-CE2 3.87Å; P131-F138 HydrophobicContact CG-CZ 3.8Å; N135-F138 VanDerWaalsContact O-CB 3.22Å; N135-F138 WeakPolarHBondContact O-CB 3.25Å; N135-F138 PolarHBondContact O-N 3.49Å; S136-F138 VanDerWaalsContact C-N 3.32Å; F138-T142 WeakPolarHBondContact O-CB 3.32Å; F138-T142 PolarHBondContact O-N 3.29Å; F138-T142 PolarHBondContact O-OG1 3.26Å; F138-Y171 HydrophobicContact CE2-CE1 4.1Å; F138-Y171 HydrophobicContact CE2-CE2 4.24Å; F138-Y171 AromaticContact CE2-CZ 3.6Å; F138-Y171 WeakPolarHBondContact CE2-OH 3.4Å; F138-Y171 HydrophobicContact CZ-CE2 4.05Å; F138-Y171 AromaticContact CZ-CZ 3.7Å; F138-Y171 WeakPolarHBondContact CZ-OH 3.32Å
139R94.3Very high94.8Very high200 Ų20066.7 Ų66.776%0.75533%0.327SS*.Hα-helixtrans-68.1-47-178.2-71.1-173.2-179.2176.7-0.2112.2R137 T142 N143R137-R139 PolarHBondContact O-N 3.23Å; R139-T142 PolarHBondContact O-N 2.93Å; R139-N143 WeakPolarHBondContact O-CB 3.38Å; R139-N143 PolarHBondContact O-N 3Å; R139-N143 PolarHBondContact O-ND2 3.44Å
140S96.6Very high94.9Very high66 Ų6666.5 Ų66.546%0.46233%0.328SS..Hα-helixtrans-65.1-44.6-178.252.30000111.7R137 T142 N143 E144R137-S140 PolarHBondContact O-N 2.96Å; R137-S140 PolarHBondContact O-OG 3.46Å; R137-S140 VanDerWaalsContact O-OG 3.11Å; S140-T142 PolarHBondContact O-N 2.94Å; S140-N143 PolarHBondContact O-N 3.43Å; S140-E144 WeakPolarHBondContact O-CB 3.31Å; S140-E144 PolarHBondContact O-N 2.9Å
141A96Very high94.9Very high1 Ų171 Ų711%0.00836%0.36CS..Hα-helixtrans-65.8-38.117800000112.8I127 F128 Y129 R137 F145I127-A141 WeakPolarHBondContact O-CB 3.23Å; F128-A141 HydrophobicContact CB-CB 4.39Å; Y129-A141 HydrophobicContact CD2-CB 4.32Å; R137-A141 WeakPolarHBondContact O-CB 3.41Å; R137-A141 PolarHBondContact O-N 3.36Å; A141-F145 WeakPolarHBondContact O-CB 3.5Å; A141-F145 PolarHBondContact O-N 3.05Å
142T96.8Very high95.1Very high7 Ų770.1 Ų70.14%0.04335%0.349CS..Hα-helixtrans-64.6-42.8173.6-59.90000111.2F138 R139 S140 F145 C146 Y171 L175F138-T142 WeakPolarHBondContact O-CB 3.32Å; F138-T142 PolarHBondContact O-N 3.29Å; F138-T142 PolarHBondContact O-OG1 3.26Å; R139-T142 PolarHBondContact O-N 2.93Å; S140-T142 PolarHBondContact O-N 2.94Å; T142-F145 PolarHBondContact O-N 2.9Å; T142-C146 PolarHBondContact O-N 2.79Å; T142-C146 PolarHBondContact O-SG 3.29Å; T142-Y171 HydrophobicContact CG2-CE1 4.39Å; T142-Y171 WeakPolarHBondContact CG2-OH 3.37Å; T142-Y171 PolarHBondContact OG1-OH 2.97Å; T142-L175 HydrophobicContact CG2-CD1 4.04Å; T142-L175 HydrophobicContact CG2-CD2 3.8Å
143N97Very high95.4Very high66 Ų6672.7 Ų72.735%0.35335%0.354SS..Hα-helixtrans-63.5-45178-72.4-17.5000111.4R139 S140 C146 N147 R180R139-N143 WeakPolarHBondContact O-CB 3.38Å; R139-N143 PolarHBondContact O-N 3Å; R139-N143 PolarHBondContact O-ND2 3.44Å; S140-N143 PolarHBondContact O-N 3.43Å; N143-C146 PolarHBondContact O-N 3.02Å; N143-N147 WeakPolarHBondContact O-CB 3.31Å; N143-N147 PolarHBondContact O-N 3.5Å; N143-N147 PolarHBondContact O-ND2 3.45Å; N143-R180 PolarHBondContact OD1-NH2 3.09Å
144E96.8Very high95.8Very high80 Ų8071.7 Ų71.737%0.37435%0.347SS..Hα-helixtrans-58.3-48.3175.6-177.3177.9-174.300111.5S140 C146 N147 F148S140-E144 WeakPolarHBondContact O-CB 3.31Å; S140-E144 PolarHBondContact O-N 2.9Å; E144-C146 PolarHBondContact O-N 2.92Å; E144-N147 PolarHBondContact O-N 3.41Å; E144-F148 HydrophobicContact CG-CD2 3.83Å; E144-F148 HydrophobicContact CG-CE2 3.45Å; E144-F148 VanDerWaalsContact CG-CE2 3.45Å; E144-F148 HydrophobicContact CG-CZ 4.12Å; E144-F148 PolarHBondContact O-N 2.96Å; E144-F148 WeakPolarHBondContact OE1-CE2 3.44Å
145F97Very high96.1Very high0 Ų062.7 Ų62.70%031%0.31CS..Hα-helixtrans-55-48.8174.8170.8-106000112.7I101 Y113 M115 F128 A141 T142 A149 L172 F181I101-F145 HydrophobicContact CD1-CE2 4.15Å; I101-F145 HydrophobicContact CD1-CZ 4.08Å; I101-F145 HydrophobicContact CG2-CE2 3.69Å; I101-F145 HydrophobicContact CG2-CZ 4.14Å; Y113-F145 AromaticContact CD1-CD2 3.62Å; Y113-F145 HydrophobicContact CD1-CD2 3.62Å; Y113-F145 HydrophobicContact CD1-CE2 4.18Å; Y113-F145 AromaticContact CD2-CD2 3.93Å; Y113-F145 HydrophobicContact CD2-CD2 3.93Å; Y113-F145 HydrophobicContact CD2-CE2 4.22Å; Y113-F145 HydrophobicContact CE1-CB 4.07Å; Y113-F145 AromaticContact CE1-CD2 3.69Å; Y113-F145 HydrophobicContact CE1-CD2 3.69Å; Y113-F145 HydrophobicContact CE1-CG 4.33Å; Y113-F145 HydrophobicContact CE2-CD2 4.04Å; Y113-F145 AromaticContact CG-CD2 3.73Å; Y113-F145 HydrophobicContact CG-CD2 3.73Å; Y113-F145 AromaticContact CG-CE2 3.93Å; Y113-F145 HydrophobicContact CG-CE2 3.93Å; Y113-F145 AromaticContact CZ-CD2 3.91Å; M115-F145 HydrophobicContact CE-CD2 3.93Å; M115-F145 HydrophobicContact CE-CE2 4.09Å; M115-F145 WeakPolarHBondContact CE-O 3.32Å; F128-F145 HydrophobicContact CB-CB 4.46Å; F128-F145 HydrophobicContact CD1-CD1 4.42Å; F128-F145 HydrophobicContact CD1-CD2 4.05Å; F128-F145 HydrophobicContact CD1-CE2 4.34Å; F128-F145 HydrophobicContact CD1-CG 4.08Å; F128-F145 HydrophobicContact CE1-CD2 4.42Å; F128-F145 HydrophobicContact CE1-CE2 4.25Å; F128-F145 HydrophobicContact CE1-CZ 4.32Å; A141-F145 WeakPolarHBondContact O-CB 3.5Å; A141-F145 PolarHBondContact O-N 3.05Å; T142-F145 PolarHBondContact O-N 2.9Å; F145-A149 WeakPolarHBondContact O-CB 3.44Å; F145-A149 PolarHBondContact O-N 2.77Å; F145-L172 HydrophobicContact CE1-CD2 3.71Å; F145-L172 HydrophobicContact CZ-CD2 3.96Å; F145-F181 HydrophobicContact CD1-CZ 4.49Å; F145-F181 HydrophobicContact CE1-CE1 4.04Å; F145-F181 AromaticContact CE1-CZ 3.82Å; F145-F181 HydrophobicContact CE1-CZ 3.82Å
146C97.4Very high96.4Very high1 Ų162.7 Ų62.71%0.00731%0.306CS..Hα-helixtrans-65.8-39.4178.7-62.10000111.8T142 N143 E144 A149 L150 F181T142-C146 PolarHBondContact O-N 2.79Å; T142-C146 PolarHBondContact O-SG 3.29Å; N143-C146 PolarHBondContact O-N 3.02Å; E144-C146 PolarHBondContact O-N 2.92Å; C146-A149 PolarHBondContact O-N 2.78Å; C146-L150 WeakPolarHBondContact O-CG 3.47Å; C146-L150 PolarHBondContact O-N 2.94Å; C146-F181 HydrophobicContact CB-CE1 4.47Å
147N97.2Very high96.6Very high90 Ų9056.9 Ų56.948%0.48127%0.266SS..Hα-helixtrans-66.7-43.2179.4-73.6-14.9000111.6N143 E144 A149 L150 S151N143-N147 WeakPolarHBondContact O-CB 3.31Å; N143-N147 PolarHBondContact O-N 3.5Å; N143-N147 PolarHBondContact O-ND2 3.45Å; E144-N147 PolarHBondContact O-N 3.41Å; N147-A149 VanDerWaalsContact C-N 3.34Å; N147-L150 WeakPolarHBondContact O-CB 3.46Å; N147-L150 PolarHBondContact O-N 3.03Å; N147-S151 WeakPolarHBondContact O-CB 3.41Å; N147-S151 PolarHBondContact O-N 2.78Å; N147-S151 PolarHBondContact O-OG 2.87Å; N147-S151 VanDerWaalsContact O-OG 3.05Å
148F96.7Very high96.9Very high64 Ų6450 Ų5028%0.28124%0.24SC..Hα-helixtrans-63.8-40.8174.5-74.3-37.8000112.1M115 A124 E144 L150 S151 H152M115-F148 HydrophobicContact CE-CB 3.63Å; M115-F148 HydrophobicContact SD-CB 3.75Å; A124-F148 HydrophobicContact CB-CB 4.4Å; A124-F148 HydrophobicContact CB-CD2 4.25Å; A124-F148 HydrophobicContact CB-CG 4.2Å; E144-F148 HydrophobicContact CG-CD2 3.83Å; E144-F148 HydrophobicContact CG-CE2 3.45Å; E144-F148 VanDerWaalsContact CG-CE2 3.45Å; E144-F148 HydrophobicContact CG-CZ 4.12Å; E144-F148 PolarHBondContact O-N 2.96Å; E144-F148 WeakPolarHBondContact OE1-CE2 3.44Å; F148-L150 VanDerWaalsContact C-N 3.26Å; F148-L150 PolarHBondContact O-N 3.15Å; F148-S151 PolarHBondContact O-N 3.03Å; F148-H152 WeakPolarHBondContact O-CB 3.43Å; F148-H152 PolarHBondContact O-CD2 3.16Å; F148-H152 VanDerWaalsContact O-CD2 3.27Å; F148-H152 PolarHBondContact O-N 3.4Å
149A97.5Very high97.1Very high0 Ų047.9 Ų47.90%023%0.23CC..Hα-helixtrans-58.4-41.9176.100000111.4I101 M115 F145 C146 N147 R153 C154 F181 L184I101-A149 HydrophobicContact CD1-CB 3.64Å; M115-A149 HydrophobicContact CE-CB 4.09Å; F145-A149 WeakPolarHBondContact O-CB 3.44Å; F145-A149 PolarHBondContact O-N 2.77Å; C146-A149 PolarHBondContact O-N 2.78Å; N147-A149 VanDerWaalsContact C-N 3.34Å; A149-R153 CarbonylContact O-C 3.57Å; A149-R153 WeakPolarHBondContact O-CA 3.05Å; A149-R153 PolarHBondContact O-N 3.19Å; A149-C154 PolarHBondContact O-N 3.41Å; A149-F181 HydrophobicContact CB-CD1 3.85Å; A149-F181 HydrophobicContact CB-CE1 3.82Å; A149-L184 WeakPolarHBondContact O-CD1 3.49Å
150L97.3Very high97.2Very high29 Ų2938.3 Ų38.315%0.15219%0.194CC..Hα-helixtrans-65.2-53.3174.8-75168.3000112.5C146 N147 F148 H152 R153 F181 K182 L184C146-L150 WeakPolarHBondContact O-CG 3.47Å; C146-L150 PolarHBondContact O-N 2.94Å; N147-L150 WeakPolarHBondContact O-CB 3.46Å; N147-L150 PolarHBondContact O-N 3.03Å; F148-L150 VanDerWaalsContact C-N 3.26Å; F148-L150 PolarHBondContact O-N 3.15Å; L150-H152 VanDerWaalsContact C-N 3.26Å; L150-H152 PolarHBondContact O-N 2.93Å; L150-R153 PolarHBondContact O-N 3.13Å; L150-F181 VanDerWaalsContact CD2-O 3.24Å; L150-F181 WeakPolarHBondContact CD2-O 3.5Å; L150-K182 HydrophobicContact CD1-CD 3.88Å; L150-K182 HydrophobicContact CD1-CG 4.03Å; L150-K182 HydrophobicContact CD2-CB 3.9Å; L150-K182 HydrophobicContact CD2-CD 4.08Å; L150-K182 HydrophobicContact CD2-CG 4.05Å; L150-L184 HydrophobicContact CD2-CD1 3.99Å; L150-L184 HydrophobicContact CD2-CG 4.23Å
151S97.1Very high97.1Very high95 Ų9538.9 Ų38.966%0.66419%0.192SC*.Hα-helixtrans-59.6-37.9-177-63.60000112.4N147 F148N147-S151 WeakPolarHBondContact O-CB 3.41Å; N147-S151 PolarHBondContact O-N 2.78Å; N147-S151 PolarHBondContact O-OG 2.87Å; N147-S151 VanDerWaalsContact O-OG 3.05Å; F148-S151 PolarHBondContact O-N 3.03Å
152H97Very high96.9Very high60 Ų6039.6 Ų39.628%0.27820%0.2SC..THydrogen-bonded Turntrans-934.3178.5-66-61.1000113.8L123 F148 L150 C154L123-H152 HydrophobicContact CD1-CB 3.84Å; F148-H152 WeakPolarHBondContact O-CB 3.43Å; F148-H152 PolarHBondContact O-CD2 3.16Å; F148-H152 VanDerWaalsContact O-CD2 3.27Å; F148-H152 PolarHBondContact O-N 3.4Å; L150-H152 VanDerWaalsContact C-N 3.26Å; L150-H152 PolarHBondContact O-N 2.93Å; H152-C154 PolarHBondContact O-N 3.05Å
153R97Very high96.7Very high168 Ų16847 Ų4763%0.63423%0.231SC*.THydrogen-bonded Turntrans49.641.1-178.2-54.2-168.870134.87.5113.5A149 L150 D155 L184A149-R153 CarbonylContact O-C 3.57Å; A149-R153 WeakPolarHBondContact O-CA 3.05Å; A149-R153 PolarHBondContact O-N 3.19Å; L150-R153 PolarHBondContact O-N 3.13Å; R153-D155 PolarHBondContact O-N 3.45Å; R153-L184 HydrophobicContact CB-CD2 4.22Å
154C97.7Very high96.6Very high0 Ų044.1 Ų44.10%022%0.217CC..  trans-75.4112.5178.6-63.80000110.6C99 I101 A149 H152 I186C99-C154 HydrophobicContact CB-CB 4.24Å; C99-C154 WeakPolarHBondContact O-CA 3.15Å; I101-C154 HydrophobicContact CD1-CB 3.82Å; I101-C154 HydrophobicContact CG1-CB 3.48Å; I101-C154 VanDerWaalsContact CG1-CB 3.48Å; A149-C154 PolarHBondContact O-N 3.41Å; H152-C154 PolarHBondContact O-N 3.05Å; C154-I186 VanDerWaalsContact O-CD1 3.3Å; C154-I186 WeakPolarHBondContact O-CD1 3.47Å
155D97.2Very high96.5Very high30 Ų3041.3 Ų41.316%0.1621%0.206CC..  trans-111-0.6-173.170.4-23.8000113.5H98 C99 R153 I186 R187H98-D155 WeakPolarHBondContact CB-OD1 3.21Å; H98-D155 IonicContact CE1-OD2 3.31Å; H98-D155 PolarHBondContact CE1-OD2 3.14Å; H98-D155 VanDerWaalsContact CE1-OD2 3.31Å; H98-D155 IonicContact CG-OD1 3.62Å; H98-D155 IonicContact CG-OD2 3.98Å; H98-D155 VanDerWaalsContact ND1-CG 3.3Å; H98-D155 IonicContact ND1-OD1 3.06Å; H98-D155 PolarHBondContact ND1-OD1 2.82Å; H98-D155 IonicContact ND1-OD2 2.77Å; H98-D155 PolarHBondContact ND1-OD2 3.05Å; C99-D155 PolarHBondContact O-N 3.47Å; R153-D155 PolarHBondContact O-N 3.45Å; D155-I186 WeakPolarHBondContact O-CA 3.13Å; D155-R187 PolarHBondContact O-N 2.96Å
156R98.1Very high96.5Very high45 Ų4549.2 Ų49.217%0.1724%0.24CC..EExtended strand (participates in β ladder)trans-122.5136.7176.1-61.5-63.4173.2-97.4-1110.7V95 H98 C99 I100 I101 D185 R187V95-R156 HydrophobicContact CG1-CG 4.45Å; H98-R156 HydrophobicContact CB-CG 3.6Å; H98-R156 VanDerWaalsContact CE1-CZ 3.49Å; H98-R156 PolarHBondContact CE1-NH2 2.87Å; H98-R156 PolarHBondContact NE2-NH2 3.37Å; C99-R156 PolarHBondContact O-N 3Å; I100-R156 CarbonylContact C-O 3.5Å; I100-R156 WeakPolarHBondContact CA-O 3.44Å; I100-R156 HydrophobicContact CB-CB 4.37Å; I100-R156 HydrophobicContact CG1-CB 3.83Å; I100-R156 HydrophobicContact CG1-CG 4.42Å; I100-R156 HydrophobicContact CG2-CB 4.38Å; I101-R156 PolarHBondContact N-O 3.23Å; R156-D185 PolarHBondContact NH1-O 3.25Å; R156-R187 CarbonylContact C-O 3.5Å; R156-R187 VanDerWaalsContact CA-O 3.32Å; R156-R187 WeakPolarHBondContact CA-O 3.48Å
157I98.1Very high96.5Very high3 Ų352.6 Ų52.62%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-123.3117.1175.4-48.9-178000110.5I101 V103 I159 L172 F181 I186 R187 W188 R189I101-I157 HydrophobicContact CB-CG1 4.27Å; I101-I157 HydrophobicContact CB-CG2 4.33Å; I101-I157 HydrophobicContact CD1-CD1 4.42Å; I101-I157 HydrophobicContact CD1-CG1 4.19Å; I101-I157 HydrophobicContact CG1-CG1 4.45Å; I101-I157 CarbonylContact O-C 3.59Å; I101-I157 WeakPolarHBondContact O-CA 3.34Å; V103-I157 HydrophobicContact CG2-CG2 3.88Å; I157-I159 HydrophobicContact CG2-CG1 3.94Å; I157-L172 HydrophobicContact CD1-CD2 4.27Å; I157-L172 HydrophobicContact CG2-CD1 3.95Å; I157-F181 HydrophobicContact CD1-CZ 4.43Å; I157-I186 HydrophobicContact CD1-CG2 3.57Å; I157-I186 HydrophobicContact CG1-CG2 3.92Å; I157-R187 PolarHBondContact N-O 3.16Å; I157-W188 HydrophobicContact CB-CB 3.96Å; I157-W188 CarbonylContact O-C 3.48Å; I157-W188 WeakPolarHBondContact O-CA 3.34Å; I157-W188 WeakPolarHBondContact O-CB 3.44Å; I157-R189 PolarHBondContact O-N 3.28Å
158A98Very high96.6Very high0 Ų048.3 Ų48.30%023%0.233CC..EExtended strand (participates in β ladder)trans-96.2123.2172.400000109I100 I101 G102 V103 V191 I223 V227I100-A158 HydrophobicContact CG2-CB 4.2Å; I101-A158 PolarHBondContact O-N 3.44Å; G102-A158 CarbonylContact C-O 3.21Å; G102-A158 WeakPolarHBondContact CA-O 3.39Å; V103-A158 PolarHBondContact N-O 2.96Å; A158-V191 HydrophobicContact CB-CG2 3.93Å; A158-I223 HydrophobicContact CB-CG2 3.7Å; A158-I223 WeakPolarHBondContact O-CG2 3.48Å; A158-V227 HydrophobicContact CB-CB 4.23Å; A158-V227 HydrophobicContact CB-CG2 3.44Å; A158-V227 VanDerWaalsContact CB-CG2 3.44Å
159I97.9Very high96.6Very high0 Ų046.2 Ų46.20%023%0.225CC..EExtended strand (participates in β ladder)trans-117.8125.2-175.9-52.6164.6000108.4P105 I157 T168 V169 L172 W188 R189 V190 V191P105-I159 HydrophobicContact CG-CG2 3.82Å; I157-I159 HydrophobicContact CG2-CG1 3.94Å; I159-T168 HydrophobicContact CG2-CG2 4Å; I159-V169 HydrophobicContact CD1-CB 4.49Å; I159-V169 HydrophobicContact CD1-CG2 3.57Å; I159-V169 HydrophobicContact CG2-CG2 4.3Å; I159-L172 HydrophobicContact CD1-CD1 3.51Å; I159-L172 HydrophobicContact CG1-CD1 3.86Å; I159-W188 HydrophobicContact CD1-CB 4.31Å; I159-W188 HydrophobicContact CD1-CD2 4.32Å; I159-W188 HydrophobicContact CD1-CE3 3.81Å; I159-R189 PolarHBondContact N-O 2.95Å; I159-V190 CarbonylContact O-C 3.52Å; I159-V190 VanDerWaalsContact O-CA 3.28Å; I159-V190 WeakPolarHBondContact O-CA 3.49Å; I159-V191 PolarHBondContact O-N 3.27Å
160G95.9Very high96.6Very high0 Ų049 Ų490%025%0.249CC..EExtended strand (participates in β ladder)trans-57146.4173.800000112V103 P105 G162 S165 V191 E193V103-G160 PolarHBondContact O-N 3.28Å; P105-G160 VanDerWaalsContact CG-O 3.3Å; P105-G160 WeakPolarHBondContact CG-O 3.34Å; G160-G162 PolarHBondContact O-N 3.01Å; G160-S165 WeakPolarHBondContact O-CB 3.35Å; G160-V191 CarbonylContact C-O 3.46Å; G160-E193 WeakPolarHBondContact CA-OE2 3.29Å
161N94.8Very high96.6Very high78 Ų7848.9 Ų48.942%0.41725%0.246SC..SBendtrans-86.119.5178.168.4-23.4000113.4V190 V191 N192 E193N161-V190 HydrophobicContact CB-CG1 3.55Å; N161-V191 WeakPolarHBondContact CB-O 3.47Å; N161-V191 PolarHBondContact N-O 2.85Å; N161-V191 PolarHBondContact OD1-O 3.46Å; N161-N192 WeakPolarHBondContact OD1-CA 3.43Å; N161-E193 PolarHBondContact OD1-N 3.31Å
162G91.7Very high96.6Very high16 Ų1644.4 Ų44.417%0.16522%0.215CC..SBendtrans-78-161.4-177.700000116.7G160 G164 S165 E193G160-G162 PolarHBondContact O-N 3.01Å; G162-G164 PolarHBondContact O-N 3.22Å; G162-S165 WeakPolarHBondContact O-CB 3.43Å; G162-S165 PolarHBondContact O-N 2.87Å; G162-S165 PolarHBondContact O-OG 2.75Å; G162-E193 WeakPolarHBondContact CA-OE1 3.28Å; G162-E193 WeakPolarHBondContact CA-OE2 3.23Å; G162-E193 PolarHBondContact N-OE2 3.21Å
163K92.9Very high96.7Very high163 Ų16347.9 Ų47.971%0.70923%0.226SC*.THydrogen-bonded Turntrans-69120.8177.2-178174.8-176.8-174.80110P105 F107P105-K163 CarbonylContact C-O 3.59Å; F107-K163 HydrophobicContact CD2-CD 4.26Å; F107-K163 HydrophobicContact CD2-CG 3.87Å; F107-K163 HydrophobicContact CE2-CD 4.23Å; F107-K163 HydrophobicContact CE2-CG 3.52Å
164G94.5Very high96.7Very high4 Ų442.1 Ų42.14%0.04121%0.211CC..THydrogen-bonded Turntrans94.4-1.4-175.900000113.9F107 G162 K166 E167 T168F107-G164 VanDerWaalsContact CZ-CA 3.49Å; G162-G164 PolarHBondContact O-N 3.22Å; G164-K166 VanDerWaalsContact C-N 3.33Å; G164-K166 PolarHBondContact O-N 2.96Å; G164-E167 VanDerWaalsContact CA-OE2 3.23Å; G164-E167 WeakPolarHBondContact CA-OE2 3.34Å; G164-E167 PolarHBondContact O-N 3.41Å; G164-T168 WeakPolarHBondContact O-CB 3.43Å; G164-T168 PolarHBondContact O-N 3.49Å; G164-T168 PolarHBondContact O-OG1 3.4Å
165S96.4Very high96.6Very high21 Ų2142.3 Ų42.315%0.14721%0.212CC..Hα-helixtrans-59-39.5-176.555.90000113.7G160 G162 V169G160-S165 WeakPolarHBondContact O-CB 3.35Å; G162-S165 WeakPolarHBondContact O-CB 3.43Å; G162-S165 PolarHBondContact O-N 2.87Å; G162-S165 PolarHBondContact O-OG 2.75Å; S165-V169 WeakPolarHBondContact O-CB 3.4Å; S165-V169 WeakPolarHBondContact O-CG2 3.15Å; S165-V169 PolarHBondContact O-N 3.31Å
166K96.9Very high96.6Very high167 Ų16743.4 Ų43.473%0.72622%0.217SC*.Hα-helixtrans-66.6-43.4179.8-68.1-177.6-179.7178.80111.4G164 V169 A170G164-K166 VanDerWaalsContact C-N 3.33Å; G164-K166 PolarHBondContact O-N 2.96Å; K166-V169 PolarHBondContact O-N 2.87Å; K166-A170 WeakPolarHBondContact O-CB 3.42Å; K166-A170 PolarHBondContact O-N 2.89Å
167E97.5Very high96.5Very high72 Ų7250.3 Ų50.334%0.33624%0.243SC..Hα-helixtrans-69.1-42.2-179.8-6180.7-177.800110.5F107 L130 G164 A170 Y171F107-E167 HydrophobicContact CE1-CB 4.36Å; F107-E167 HydrophobicContact CE1-CG 3.99Å; F107-E167 HydrophobicContact CZ-CG 4.38Å; L130-E167 HydrophobicContact CD1-CB 3.79Å; G164-E167 VanDerWaalsContact CA-OE2 3.23Å; G164-E167 WeakPolarHBondContact CA-OE2 3.34Å; G164-E167 PolarHBondContact O-N 3.41Å; E167-A170 PolarHBondContact O-N 2.68Å; E167-Y171 WeakPolarHBondContact O-CB 3.35Å; E167-Y171 PolarHBondContact O-N 2.97Å
168T97.3Very high96.4Very high0 Ų055.3 Ų55.30%027%0.266CS..Hα-helixtrans-60.7-45.1172.2-60.10000112.1V103 P105 C111 F128 I159 G164 Y171 L172V103-T168 HydrophobicContact CG1-CG2 3.82Å; P105-T168 WeakPolarHBondContact CB-OG1 3.29Å; C111-T168 PolarHBondContact SG-OG1 3.31Å; F128-T168 HydrophobicContact CZ-CG2 4.17Å; I159-T168 HydrophobicContact CG2-CG2 4Å; G164-T168 WeakPolarHBondContact O-CB 3.43Å; G164-T168 PolarHBondContact O-N 3.49Å; G164-T168 PolarHBondContact O-OG1 3.4Å; T168-Y171 PolarHBondContact O-N 3.16Å; T168-L172 HydrophobicContact CG2-CD1 3.92Å; T168-L172 HydrophobicContact CG2-CG 4.4Å; T168-L172 WeakPolarHBondContact O-CB 3.42Å; T168-L172 WeakPolarHBondContact O-CG 3.37Å; T168-L172 PolarHBondContact O-N 2.92Å
169V97.8Very high96.3Very high19 Ų1963.1 Ų63.112%0.11530%0.3CS..Hα-helixtrans-59.9-47.7174.6166.40000110.8I159 S165 K166 Y171 L172 R173 W188 V190I159-V169 HydrophobicContact CD1-CB 4.49Å; I159-V169 HydrophobicContact CD1-CG2 3.57Å; I159-V169 HydrophobicContact CG2-CG2 4.3Å; S165-V169 WeakPolarHBondContact O-CB 3.4Å; S165-V169 WeakPolarHBondContact O-CG2 3.15Å; S165-V169 PolarHBondContact O-N 3.31Å; K166-V169 PolarHBondContact O-N 2.87Å; V169-Y171 VanDerWaalsContact C-N 3.3Å; V169-Y171 PolarHBondContact O-N 3.26Å; V169-L172 PolarHBondContact O-N 3.06Å; V169-R173 HydrophobicContact CG1-CG 4.46Å; V169-R173 WeakPolarHBondContact O-CB 3.45Å; V169-R173 VanDerWaalsContact O-CG 3.27Å; V169-R173 WeakPolarHBondContact O-CG 3.33Å; V169-R173 PolarHBondContact O-N 3.41Å; V169-W188 HydrophobicContact CB-CZ3 4.41Å; V169-W188 HydrophobicContact CG1-CE3 4.34Å; V169-W188 HydrophobicContact CG1-CH2 3.37Å; V169-W188 HydrophobicContact CG1-CZ2 3.77Å; V169-W188 HydrophobicContact CG1-CZ3 3.68Å; V169-W188 HydrophobicContact CG2-CE3 4.18Å; V169-W188 HydrophobicContact CG2-CH2 4.31Å; V169-W188 HydrophobicContact CG2-CZ3 3.75Å; V169-V190 HydrophobicContact CG2-CG2 4.18Å
170A97.7Very high96.2Very high60 Ų6067.6 Ų67.650%0.49632%0.317SS..Hα-helixtrans-59.6-43179.700000111.4K166 E167 R173 C174K166-A170 WeakPolarHBondContact O-CB 3.42Å; K166-A170 PolarHBondContact O-N 2.89Å; E167-A170 PolarHBondContact O-N 2.68Å; A170-R173 PolarHBondContact O-N 3.37Å; A170-C174 PolarHBondContact O-N 3.39Å; A170-C174 VanDerWaalsContact O-N 3.08Å
171Y97.6Very high96.2Very high26 Ų2667.9 Ų67.910%0.10232%0.318CS..Hα-helixtrans-68.7-45.6179.3-174.9-130.2000112.7F128 L130 P131 F138 T142 E167 T168 V169 R173 C174 L175F128-Y171 HydrophobicContact CD2-CD1 4.3Å; F128-Y171 HydrophobicContact CD2-CE1 4.06Å; F128-Y171 AromaticContact CE2-CD1 3.91Å; F128-Y171 HydrophobicContact CE2-CD1 3.91Å; F128-Y171 HydrophobicContact CE2-CE1 4.14Å; L130-Y171 HydrophobicContact CD2-CD1 4.02Å; L130-Y171 HydrophobicContact CD2-CG 4.35Å; P131-Y171 HydrophobicContact CG-CD2 3.44Å; P131-Y171 VanDerWaalsContact CG-CD2 3.44Å; P131-Y171 HydrophobicContact CG-CE2 3.46Å; P131-Y171 VanDerWaalsContact CG-CE2 3.46Å; P131-Y171 HydrophobicContact CG-CG 4.1Å; F138-Y171 HydrophobicContact CE2-CE1 4.1Å; F138-Y171 HydrophobicContact CE2-CE2 4.24Å; F138-Y171 AromaticContact CE2-CZ 3.6Å; F138-Y171 WeakPolarHBondContact CE2-OH 3.4Å; F138-Y171 HydrophobicContact CZ-CE2 4.05Å; F138-Y171 AromaticContact CZ-CZ 3.7Å; F138-Y171 WeakPolarHBondContact CZ-OH 3.32Å; T142-Y171 HydrophobicContact CG2-CE1 4.39Å; T142-Y171 WeakPolarHBondContact CG2-OH 3.37Å; T142-Y171 PolarHBondContact OG1-OH 2.97Å; E167-Y171 WeakPolarHBondContact O-CB 3.35Å; E167-Y171 PolarHBondContact O-N 2.97Å; T168-Y171 PolarHBondContact O-N 3.16Å; V169-Y171 VanDerWaalsContact C-N 3.3Å; V169-Y171 PolarHBondContact O-N 3.26Å; Y171-R173 VanDerWaalsContact C-N 3.27Å; Y171-R173 PolarHBondContact O-N 2.84Å; Y171-C174 WeakPolarHBondContact O-CA 3.46Å; Y171-C174 WeakPolarHBondContact O-CB 3.1Å; Y171-C174 PolarHBondContact O-N 3.07Å; Y171-L175 HydrophobicContact CD1-CD1 4.35Å; Y171-L175 HydrophobicContact CE1-CD1 4.02Å; Y171-L175 HydrophobicContact CE2-CD2 4.07Å; Y171-L175 HydrophobicContact CE2-CG 4.29Å; Y171-L175 PolarHBondContact O-N 3.27Å
172L97.4Very high96.1Very high1 Ų171.4 Ų71.41%0.00533%0.33CS..Hα-helixtrans-59.9-38.7175.4-72.7170.8000111.7F145 I157 I159 T168 V169 C174 L175 I176F145-L172 HydrophobicContact CE1-CD2 3.71Å; F145-L172 HydrophobicContact CZ-CD2 3.96Å; I157-L172 HydrophobicContact CD1-CD2 4.27Å; I157-L172 HydrophobicContact CG2-CD1 3.95Å; I159-L172 HydrophobicContact CD1-CD1 3.51Å; I159-L172 HydrophobicContact CG1-CD1 3.86Å; T168-L172 HydrophobicContact CG2-CD1 3.92Å; T168-L172 HydrophobicContact CG2-CG 4.4Å; T168-L172 WeakPolarHBondContact O-CB 3.42Å; T168-L172 WeakPolarHBondContact O-CG 3.37Å; T168-L172 PolarHBondContact O-N 2.92Å; V169-L172 PolarHBondContact O-N 3.06Å; L172-C174 VanDerWaalsContact C-N 3.29Å; L172-C174 PolarHBondContact O-N 2.96Å; L172-L175 HydrophobicContact CD2-CD1 4.35Å; L172-L175 PolarHBondContact O-N 3.21Å; L172-I176 VanDerWaalsContact O-CG1 3.27Å; L172-I176 WeakPolarHBondContact O-CG1 3.4Å; L172-I176 PolarHBondContact O-N 3.21Å
173R97.2Very high96.2Very high132 Ų13276.7 Ų76.750%0.49835%0.354SS..Hα-helixtrans-62.8-35.5173-73.1177.170.7174.22.8112.5V169 A170 Y171 R177 W188V169-R173 HydrophobicContact CG1-CG 4.46Å; V169-R173 WeakPolarHBondContact O-CB 3.45Å; V169-R173 VanDerWaalsContact O-CG 3.27Å; V169-R173 WeakPolarHBondContact O-CG 3.33Å; V169-R173 PolarHBondContact O-N 3.41Å; A170-R173 PolarHBondContact O-N 3.37Å; Y171-R173 VanDerWaalsContact C-N 3.27Å; Y171-R173 PolarHBondContact O-N 2.84Å; R173-R177 WeakPolarHBondContact O-CB 3.43Å; R173-R177 PolarHBondContact O-N 3.22Å; R173-W188 HydrophobicContact CG-CZ2 4.3Å
174C97.1Very high96.3Very high47 Ų4770.1 Ų70.132%0.31833%0.327SS..Hα-helixtrans-62.1-50.2173.3-157.90000110.5A170 Y171 L172 I176 R177 E178A170-C174 PolarHBondContact O-N 3.39Å; A170-C174 VanDerWaalsContact O-N 3.08Å; Y171-C174 WeakPolarHBondContact O-CA 3.46Å; Y171-C174 WeakPolarHBondContact O-CB 3.1Å; Y171-C174 PolarHBondContact O-N 3.07Å; L172-C174 VanDerWaalsContact C-N 3.29Å; L172-C174 PolarHBondContact O-N 2.96Å; C174-I176 VanDerWaalsContact C-N 3.33Å; C174-I176 PolarHBondContact O-N 3.04Å; C174-R177 PolarHBondContact O-N 3.33Å; C174-R177 VanDerWaalsContact O-N 3.12Å; C174-E178 WeakPolarHBondContact O-CB 3.25Å; C174-E178 WeakPolarHBondContact O-CG 3.48Å; C174-E178 PolarHBondContact O-N 3.43Å; C174-E178 PolarHBondContact SG-OE1 3.05Å
175L97.1Very high96.3Very high4 Ų474.4 Ų74.42%0.02135%0.349CS..Hα-helixtrans-60.2-40178.8-61.1177.3000112.7T142 Y171 L172 E178 K179 R180 F181T142-L175 HydrophobicContact CG2-CD1 4.04Å; T142-L175 HydrophobicContact CG2-CD2 3.8Å; Y171-L175 HydrophobicContact CD1-CD1 4.35Å; Y171-L175 HydrophobicContact CE1-CD1 4.02Å; Y171-L175 HydrophobicContact CE2-CD2 4.07Å; Y171-L175 HydrophobicContact CE2-CG 4.29Å; Y171-L175 PolarHBondContact O-N 3.27Å; L172-L175 HydrophobicContact CD2-CD1 4.35Å; L172-L175 PolarHBondContact O-N 3.21Å; L175-E178 PolarHBondContact O-N 2.9Å; L175-K179 PolarHBondContact O-N 3.08Å; L175-R180 HydrophobicContact CB-CB 4.2Å; L175-R180 HydrophobicContact CB-CG 4.13Å; L175-R180 HydrophobicContact CD2-CG 3.91Å; L175-R180 WeakPolarHBondContact O-CB 3.48Å; L175-R180 WeakPolarHBondContact O-CG 3.15Å; L175-R180 PolarHBondContact O-N 2.92Å; L175-F181 HydrophobicContact CB-CE2 3.78Å; L175-F181 HydrophobicContact CB-CZ 4.36Å
176I96.5Very high96.4Very high53 Ų5374.2 Ų74.227%0.27235%0.346SS..Hα-helixtrans-63-46.8174.8-66.1164.8000110.4L172 C174 E178 K179 F181 I186L172-I176 VanDerWaalsContact O-CG1 3.27Å; L172-I176 WeakPolarHBondContact O-CG1 3.4Å; L172-I176 PolarHBondContact O-N 3.21Å; C174-I176 VanDerWaalsContact C-N 3.33Å; C174-I176 PolarHBondContact O-N 3.04Å; I176-E178 VanDerWaalsContact C-N 3.33Å; I176-E178 PolarHBondContact O-N 3.22Å; I176-K179 PolarHBondContact O-N 3.44Å; I176-F181 HydrophobicContact CG1-CD2 3.96Å; I176-F181 HydrophobicContact CG1-CE2 3.88Å; I176-I186 HydrophobicContact CD1-CB 4.1Å; I176-I186 HydrophobicContact CD1-CG2 3.55Å; I176-I186 HydrophobicContact CG1-CB 4.05Å; I176-I186 HydrophobicContact CG1-CG2 3.86Å
177R96.1Very high96.4Very high190 Ų19073.5 Ų73.572%0.71734%0.339SS*.Hα-helixtrans-63.8-38.1179.4-172.8-175.5-61.3160.90.3112.5R173 C174 K179R173-R177 WeakPolarHBondContact O-CB 3.43Å; R173-R177 PolarHBondContact O-N 3.22Å; C174-R177 PolarHBondContact O-N 3.33Å; C174-R177 VanDerWaalsContact O-N 3.12Å; R177-K179 PolarHBondContact O-N 3.38Å
178E96Very high96.4Very high109 Ų10974.7 Ų74.751%0.50934%0.34SS..THydrogen-bonded Turntrans-73.43.5174.8-72.5174.2-164.900113.3C174 L175 I176 R180C174-E178 WeakPolarHBondContact O-CB 3.25Å; C174-E178 WeakPolarHBondContact O-CG 3.48Å; C174-E178 PolarHBondContact O-N 3.43Å; C174-E178 PolarHBondContact SG-OE1 3.05Å; L175-E178 PolarHBondContact O-N 2.9Å; I176-E178 VanDerWaalsContact C-N 3.33Å; I176-E178 PolarHBondContact O-N 3.22Å; E178-R180 HydrophobicContact CB-CG 3.85Å; E178-R180 PolarHBondContact O-N 3.15Å
179K95Very high96.4Very high163 Ų16379 Ų7971%0.70936%0.357SS*.THydrogen-bonded Turntrans55.133.4-178.9-57.4-173.2177.5-175.70113.2L175 I176 R177 F181 K182L175-K179 PolarHBondContact O-N 3.08Å; I176-K179 PolarHBondContact O-N 3.44Å; R177-K179 PolarHBondContact O-N 3.38Å; K179-F181 PolarHBondContact O-N 2.98Å; K179-K182 PolarHBondContact O-N 3.05Å
180R96.2Very high96.3Very high95 Ų9581.4 Ų81.436%0.35837%0.371SS..THydrogen-bonded Turntrans-64-23.4177.8-59.8-58.3-53.7-143.9-3.7112.8N143 L175 E178N143-R180 PolarHBondContact OD1-NH2 3.09Å; L175-R180 HydrophobicContact CB-CB 4.2Å; L175-R180 HydrophobicContact CB-CG 4.13Å; L175-R180 HydrophobicContact CD2-CG 3.91Å; L175-R180 WeakPolarHBondContact O-CB 3.48Å; L175-R180 WeakPolarHBondContact O-CG 3.15Å; L175-R180 PolarHBondContact O-N 2.92Å; E178-R180 HydrophobicContact CB-CG 3.85Å; E178-R180 PolarHBondContact O-N 3.15Å
181F95.7Very high96.2Very high5 Ų578.9 Ų78.92%0.02235%0.35CS..THydrogen-bonded Turntrans-97.316.5174.8-53.2-80.7000113.6F145 C146 A149 L150 I157 L175 I176 K179 D183 L184 I186F145-F181 HydrophobicContact CD1-CZ 4.49Å; F145-F181 HydrophobicContact CE1-CE1 4.04Å; F145-F181 AromaticContact CE1-CZ 3.82Å; F145-F181 HydrophobicContact CE1-CZ 3.82Å; C146-F181 HydrophobicContact CB-CE1 4.47Å; A149-F181 HydrophobicContact CB-CD1 3.85Å; A149-F181 HydrophobicContact CB-CE1 3.82Å; L150-F181 VanDerWaalsContact CD2-O 3.24Å; L150-F181 WeakPolarHBondContact CD2-O 3.5Å; I157-F181 HydrophobicContact CD1-CZ 4.43Å; L175-F181 HydrophobicContact CB-CE2 3.78Å; L175-F181 HydrophobicContact CB-CZ 4.36Å; I176-F181 HydrophobicContact CG1-CD2 3.96Å; I176-F181 HydrophobicContact CG1-CE2 3.88Å; K179-F181 PolarHBondContact O-N 2.98Å; F181-D183 PolarHBondContact O-N 2.81Å; F181-D183 VanDerWaalsContact O-N 3.11Å; F181-L184 HydrophobicContact CB-CB 4.44Å; F181-L184 PolarHBondContact O-N 3.14Å; F181-L184 VanDerWaalsContact O-N 3.11Å; F181-I186 HydrophobicContact CB-CD1 3.97Å; F181-I186 HydrophobicContact CB-CG1 3.6Å; F181-I186 HydrophobicContact CD1-CD1 4.2Å; F181-I186 HydrophobicContact CD1-CG1 4.32Å; F181-I186 HydrophobicContact CD2-CG1 3.83Å; F181-I186 HydrophobicContact CG-CD1 4.01Å; F181-I186 HydrophobicContact CG-CG1 3.67Å
182K94.4Very high95.8Very high152 Ų15279.3 Ų79.366%0.66135%0.354SS*.THydrogen-bonded Turntrans49-112176-57.2179-178.7177.20113.1L150 K179L150-K182 HydrophobicContact CD1-CD 3.88Å; L150-K182 HydrophobicContact CD1-CG 4.03Å; L150-K182 HydrophobicContact CD2-CB 3.9Å; L150-K182 HydrophobicContact CD2-CD 4.08Å; L150-K182 HydrophobicContact CD2-CG 4.05Å; K179-K182 PolarHBondContact O-N 3.05Å
183D92.3Very high95.5Very high127 Ų12780.9 Ų80.968%0.67936%0.361SS*.THydrogen-bonded Turntrans-95.4-0.7-17255-50.7000114F181F181-D183 PolarHBondContact O-N 2.81Å; F181-D183 VanDerWaalsContact O-N 3.11Å
184L95.3Very high95Very high25 Ų2576.4 Ų76.413%0.13135%0.348CS..  trans-73.8128.5175.5-65176.4000111.6A149 L150 R153 F181 I186A149-L184 WeakPolarHBondContact O-CD1 3.49Å; L150-L184 HydrophobicContact CD2-CD1 3.99Å; L150-L184 HydrophobicContact CD2-CG 4.23Å; R153-L184 HydrophobicContact CB-CD2 4.22Å; F181-L184 HydrophobicContact CB-CB 4.44Å; F181-L184 PolarHBondContact O-N 3.14Å; F181-L184 VanDerWaalsContact O-N 3.11Å; L184-I186 VanDerWaalsContact C-N 3.27Å; L184-I186 HydrophobicContact CB-CD1 3.66Å; L184-I186 HydrophobicContact CB-CG1 4.21Å; L184-I186 HydrophobicContact CD1-CD1 4.2Å; L184-I186 PolarHBondContact O-N 3.46Å
185D95.7Very high94.5Very high95 Ų9574.6 Ų74.651%0.50834%0.338SS..  trans-74.680.3168.1-179.133.3000110.1R156 R187R156-D185 PolarHBondContact NH1-O 3.25Å; D185-R187 PolarHBondContact O-N 3.1Å; D185-R187 IonicContact OD2-CZ 3.93Å; D185-R187 IonicContact OD2-NE 3.28Å; D185-R187 PolarHBondContact OD2-NE 3.44Å; D185-R187 IonicContact OD2-NH2 3.62Å
186I97.5Very high93.9Very high16 Ų1674.4 Ų74.48%0.08234%0.337CS..  trans-70.5118.6180-57-56.4000110.3C154 D155 I157 I176 F181 L184C154-I186 VanDerWaalsContact O-CD1 3.3Å; C154-I186 WeakPolarHBondContact O-CD1 3.47Å; D155-I186 WeakPolarHBondContact O-CA 3.13Å; I157-I186 HydrophobicContact CD1-CG2 3.57Å; I157-I186 HydrophobicContact CG1-CG2 3.92Å; I176-I186 HydrophobicContact CD1-CB 4.1Å; I176-I186 HydrophobicContact CD1-CG2 3.55Å; I176-I186 HydrophobicContact CG1-CB 4.05Å; I176-I186 HydrophobicContact CG1-CG2 3.86Å; F181-I186 HydrophobicContact CB-CD1 3.97Å; F181-I186 HydrophobicContact CB-CG1 3.6Å; F181-I186 HydrophobicContact CD1-CD1 4.2Å; F181-I186 HydrophobicContact CD1-CG1 4.32Å; F181-I186 HydrophobicContact CD2-CG1 3.83Å; F181-I186 HydrophobicContact CG-CD1 4.01Å; F181-I186 HydrophobicContact CG-CG1 3.67Å; L184-I186 VanDerWaalsContact C-N 3.27Å; L184-I186 HydrophobicContact CB-CD1 3.66Å; L184-I186 HydrophobicContact CB-CG1 4.21Å; L184-I186 HydrophobicContact CD1-CD1 4.2Å; L184-I186 PolarHBondContact O-N 3.46Å
187R97.1Very high93.3Very high152 Ų15275 Ų7557%0.57435%0.346SS*.EExtended strand (participates in β ladder)trans-114.8147.3165.8-57.9-156.7-177.7-145.22.6110.8D155 R156 I157 D185D155-R187 PolarHBondContact O-N 2.96Å; R156-R187 CarbonylContact C-O 3.5Å; R156-R187 VanDerWaalsContact CA-O 3.32Å; R156-R187 WeakPolarHBondContact CA-O 3.48Å; I157-R187 PolarHBondContact N-O 3.16Å; D185-R187 PolarHBondContact O-N 3.1Å; D185-R187 IonicContact OD2-CZ 3.93Å; D185-R187 IonicContact OD2-NE 3.28Å; D185-R187 PolarHBondContact OD2-NE 3.44Å; D185-R187 IonicContact OD2-NH2 3.62Å
188W97.1Very high92.8Very high97 Ų9769.6 Ų69.637%0.36733%0.334SS..EExtended strand (participates in β ladder)trans-133.9154.9-178.165.8-88.9000112I157 I159 V169 R173 V190I157-W188 HydrophobicContact CB-CB 3.96Å; I157-W188 CarbonylContact O-C 3.48Å; I157-W188 WeakPolarHBondContact O-CA 3.34Å; I157-W188 WeakPolarHBondContact O-CB 3.44Å; I159-W188 HydrophobicContact CD1-CB 4.31Å; I159-W188 HydrophobicContact CD1-CD2 4.32Å; I159-W188 HydrophobicContact CD1-CE3 3.81Å; V169-W188 HydrophobicContact CB-CZ3 4.41Å; V169-W188 HydrophobicContact CG1-CE3 4.34Å; V169-W188 HydrophobicContact CG1-CH2 3.37Å; V169-W188 HydrophobicContact CG1-CZ2 3.77Å; V169-W188 HydrophobicContact CG1-CZ3 3.68Å; V169-W188 HydrophobicContact CG2-CE3 4.18Å; V169-W188 HydrophobicContact CG2-CH2 4.31Å; V169-W188 HydrophobicContact CG2-CZ3 3.75Å; R173-W188 HydrophobicContact CG-CZ2 4.3Å; W188-V190 HydrophobicContact CZ3-CG2 3.93Å
189R96.6Very high92.3Very high92 Ų9264.8 Ų64.835%0.34731%0.311SS..EExtended strand (participates in β ladder)trans-144152.2171.564.9178.4-73.2-176.2-1.6111.1I157 I159 V191 V227I157-R189 PolarHBondContact O-N 3.28Å; I159-R189 PolarHBondContact N-O 2.95Å; R189-V191 HydrophobicContact CG-CG2 4.02Å; R189-V227 HydrophobicContact CG-CG2 4.2Å
190V96.7Very high91.8Very high68 Ų6857.6 Ų57.641%0.41228%0.281SS..EExtended strand (participates in β ladder)trans-82.9141.7167.2-176.20000109.2I159 N161 V169 W188I159-V190 CarbonylContact O-C 3.52Å; I159-V190 VanDerWaalsContact O-CA 3.28Å; I159-V190 WeakPolarHBondContact O-CA 3.49Å; N161-V190 HydrophobicContact CB-CG1 3.55Å; V169-V190 HydrophobicContact CG2-CG2 4.18Å; W188-V190 HydrophobicContact CZ3-CG2 3.93Å
191V94.6Very high91.3Very high8 Ų858.7 Ų58.75%0.04829%0.293CS..EExtended strand (participates in β ladder)trans-131.3143.5-176.6-1720000108.6A158 I159 G160 N161 R189 E193 I223 R226 V227A158-V191 HydrophobicContact CB-CG2 3.93Å; I159-V191 PolarHBondContact O-N 3.27Å; G160-V191 CarbonylContact C-O 3.46Å; N161-V191 WeakPolarHBondContact CB-O 3.47Å; N161-V191 PolarHBondContact N-O 2.85Å; N161-V191 PolarHBondContact OD1-O 3.46Å; R189-V191 HydrophobicContact CG-CG2 4.02Å; V191-E193 PolarHBondContact O-N 3.33Å; V191-E193 VanDerWaalsContact O-N 3.16Å; V191-I223 HydrophobicContact CB-CG2 4.36Å; V191-R226 HydrophobicContact CG1-CB 3.97Å; V191-V227 HydrophobicContact CG2-CG2 3.42Å; V191-V227 VanDerWaalsContact CG2-CG2 3.42Å
192N91.2Very high90.7Very high35 Ų3559.7 Ų59.719%0.18730%0.3CS..  trans-60.1119.9170.3-176.9-3.9000108.5L89 N161 T194 R226 Y234L89-N192 HydrophobicContact CD1-CB 4.41Å; N161-N192 WeakPolarHBondContact OD1-CA 3.43Å; N192-T194 WeakPolarHBondContact OD1-CB 3.5Å; N192-T194 PolarHBondContact OD1-N 2.87Å; N192-T194 PolarHBondContact OD1-OG1 2.84Å; N192-R226 PolarHBondContact O-NH1 2.79Å; N192-Y234 PolarHBondContact O-OH 3.18Å
193E91Very high90.3Very high33 Ų3357 Ų5715%0.15430%0.298CS..  trans-92.9-4.6178.275.6-178.2-154.800112.6G160 N161 G162 V191 G195 S196 I223G160-E193 WeakPolarHBondContact CA-OE2 3.29Å; N161-E193 PolarHBondContact OD1-N 3.31Å; G162-E193 WeakPolarHBondContact CA-OE1 3.28Å; G162-E193 WeakPolarHBondContact CA-OE2 3.23Å; G162-E193 PolarHBondContact N-OE2 3.21Å; V191-E193 PolarHBondContact O-N 3.33Å; V191-E193 VanDerWaalsContact O-N 3.16Å; E193-G195 PolarHBondContact O-N 3.38Å; E193-S196 WeakPolarHBondContact O-CB 3.37Å; E193-S196 PolarHBondContact O-N 2.96Å; E193-S196 PolarHBondContact O-OG 3.38Å; E193-I223 HydrophobicContact CB-CD1 4.04Å; E193-I223 HydrophobicContact CB-CG1 4.27Å
194T86.7Confident89.8Confident38 Ų3854.2 Ų54.223%0.23328%0.282CS..THydrogen-bonded Turntrans-53.8131.1-172.3-48.90000110.9N192 S196 R226 S241 S243N192-T194 WeakPolarHBondContact OD1-CB 3.5Å; N192-T194 PolarHBondContact OD1-N 2.87Å; N192-T194 PolarHBondContact OD1-OG1 2.84Å; T194-S196 VanDerWaalsContact C-N 3.26Å; T194-S196 PolarHBondContact O-N 3.31Å; T194-R226 PolarHBondContact O-NH1 3.47Å; T194-R226 PolarHBondContact O-NH2 2.77Å; T194-S241 WeakPolarHBondContact CG2-O 3.39Å; T194-S243 WeakPolarHBondContact CG2-OG 3.23Å
195G85Confident89.3Confident10 Ų1053 Ų5310%0.10328%0.276CS..THydrogen-bonded Turntrans80.7-7.8-177.500000115E193 S197 V198 Y199 S241E193-G195 PolarHBondContact O-N 3.38Å; G195-S197 VanDerWaalsContact C-N 3.31Å; G195-S197 PolarHBondContact O-N 2.85Å; G195-V198 PolarHBondContact O-N 3.32Å; G195-V198 VanDerWaalsContact O-N 3.13Å; G195-Y199 PolarHBondContact O-N 3.11Å; G195-S241 PolarHBondContact N-O 3.13Å
196S85.6Confident88.7Confident0 Ų053.1 Ų53.10%027%0.273CS..Hα-helixtrans-62.3-39.6177.667.30000111.4E193 T194 V198 Y199 S200 A219 R226E193-S196 WeakPolarHBondContact O-CB 3.37Å; E193-S196 PolarHBondContact O-N 2.96Å; E193-S196 PolarHBondContact O-OG 3.38Å; T194-S196 VanDerWaalsContact C-N 3.26Å; T194-S196 PolarHBondContact O-N 3.31Å; S196-V198 VanDerWaalsContact C-N 3.31Å; S196-V198 PolarHBondContact O-N 2.91Å; S196-Y199 WeakPolarHBondContact O-CB 3.24Å; S196-Y199 PolarHBondContact O-N 2.89Å; S196-S200 PolarHBondContact O-N 2.98Å; S196-A219 WeakPolarHBondContact OG-CB 3.36Å; S196-R226 VanDerWaalsContact N-NH2 3.13Å
197S84.3Confident88.1Confident66 Ų6658.4 Ų58.446%0.46230%0.301SS..Hα-helixtrans-69.5-28176.2-37.60000112.9G195 S200G195-S197 VanDerWaalsContact C-N 3.31Å; G195-S197 PolarHBondContact O-N 2.85Å; S197-S200 WeakPolarHBondContact CA-OG 3.37Å; S197-S200 PolarHBondContact O-OG 3.36Å
198V85.8Confident87.4Confident76 Ų7653.4 Ų53.446%0.46128%0.284SS..Hα-helixtrans-74.1-41.2174.2178.90000109.6G195 S196 I201 S202G195-V198 PolarHBondContact O-N 3.32Å; G195-V198 VanDerWaalsContact O-N 3.13Å; S196-V198 VanDerWaalsContact C-N 3.31Å; S196-V198 PolarHBondContact O-N 2.91Å; V198-I201 WeakPolarHBondContact O-CG1 3.42Å; V198-S202 PolarHBondContact O-N 3.36Å
199Y85.5Confident86.7Confident7 Ų749 Ų493%0.02727%0.267CS..Hα-helixtrans-61.1-44.6173.7162-91.4000111.7G195 S196 I201 S202 A205 E208 M209G195-Y199 PolarHBondContact O-N 3.11Å; S196-Y199 WeakPolarHBondContact O-CB 3.24Å; S196-Y199 PolarHBondContact O-N 2.89Å; Y199-I201 PolarHBondContact O-N 2.8Å; Y199-S202 VanDerWaalsContact O-CB 3.22Å; Y199-S202 WeakPolarHBondContact O-CB 3.4Å; Y199-S202 PolarHBondContact O-N 2.63Å; Y199-S202 PolarHBondContact O-OG 2.86Å; Y199-A205 HydrophobicContact CD1-CB 4.45Å; Y199-A205 HydrophobicContact CE1-CB 4.06Å; Y199-A205 HydrophobicContact CE2-CB 4.16Å; Y199-A205 WeakPolarHBondContact O-CB 3.35Å; Y199-E208 PolarHBondContact OH-OE2 3.01Å; Y199-M209 HydrophobicContact CE1-CE 4.14Å
200S83.3Confident86Confident12 Ų1249.4 Ų49.48%0.08428%0.282CS..THydrogen-bonded Turntrans-62.3-20.2-174.761.60000114.6S196 S197 R217S196-S200 PolarHBondContact O-N 2.98Å; S197-S200 WeakPolarHBondContact CA-OG 3.37Å; S197-S200 PolarHBondContact O-OG 3.36Å; S200-R217 WeakPolarHBondContact CB-O 3.33Å; S200-R217 VanDerWaalsContact O-CD 3.31Å; S200-R217 WeakPolarHBondContact O-CD 3.45Å
201I85.6Confident85.4Confident118 Ų11855.1 Ų55.161%0.60530%0.304SS*.THydrogen-bonded Turntrans-10810175.465.6173.1000112.7V198 Y199V198-I201 WeakPolarHBondContact O-CG1 3.42Å; Y199-I201 PolarHBondContact O-N 2.8Å
202S84.1Confident84.6Confident26 Ų2656.5 Ų56.518%0.18231%0.311CS..SBendtrans-80.5152.9178.973.70000111.3V198 Y199 M204 A205 E206V198-S202 PolarHBondContact O-N 3.36Å; Y199-S202 VanDerWaalsContact O-CB 3.22Å; Y199-S202 WeakPolarHBondContact O-CB 3.4Å; Y199-S202 PolarHBondContact O-N 2.63Å; Y199-S202 PolarHBondContact O-OG 2.86Å; S202-M204 PolarHBondContact O-N 2.84Å; S202-M204 VanDerWaalsContact O-N 3.16Å; S202-A205 PolarHBondContact O-N 3.33Å; S202-A205 PolarHBondContact OG-N 2.77Å; S202-E206 PolarHBondContact O-N 2.81Å
203P85.8Confident83.9Confident95 Ų9557.5 Ų57.562%0.61732%0.32SS*.Hα-helixtrans-56.6-29.3171.6-25.434.5000113.1E206 I207P203-E206 WeakPolarHBondContact O-CB 3.44Å; P203-E206 PolarHBondContact O-N 2.84Å; P203-I207 WeakPolarHBondContact O-CG1 3.25Å; P203-I207 PolarHBondContact O-N 3.1Å
204M82.1Confident82.8Confident70 Ų7059.7 Ų59.735%0.34534%0.338SS..Hα-helixtrans-66.3-42.3176.9-17065.5-172.800111.5S202 E206 I207 E208S202-M204 PolarHBondContact O-N 2.84Å; S202-M204 VanDerWaalsContact O-N 3.16Å; M204-E206 VanDerWaalsContact C-N 3.25Å; M204-E206 PolarHBondContact O-N 3.21Å; M204-I207 PolarHBondContact O-N 2.66Å; M204-E208 HydrophobicContact CE-CG 4.11Å; M204-E208 WeakPolarHBondContact CE-OE1 3.23Å; M204-E208 WeakPolarHBondContact O-CG 3.45Å; M204-E208 PolarHBondContact O-N 3.37Å
205A83Confident82Confident0 Ų063.7 Ų63.70%036%0.358CS..Hα-helixtrans-66.2-29.9176.400000112.1Y199 S202 E208 M209 R217Y199-A205 HydrophobicContact CD1-CB 4.45Å; Y199-A205 HydrophobicContact CE1-CB 4.06Å; Y199-A205 HydrophobicContact CE2-CB 4.16Å; Y199-A205 WeakPolarHBondContact O-CB 3.35Å; S202-A205 PolarHBondContact O-N 3.33Å; S202-A205 PolarHBondContact OG-N 2.77Å; A205-E208 PolarHBondContact O-N 3.08Å; A205-M209 HydrophobicContact CB-CE 3.91Å; A205-M209 WeakPolarHBondContact O-CB 3.47Å; A205-M209 PolarHBondContact O-N 2.93Å; A205-R217 HydrophobicContact CB-CG 4.27Å; A205-R217 WeakPolarHBondContact O-CD 3.5Å
206E85.1Confident81.4Confident96 Ų9666.2 Ų66.245%0.44937%0.368SS..Hα-helixtrans-63.6-42.2172.5-77.8177.5175.300112.3S202 P203 M204 M209 P210 R217S202-E206 PolarHBondContact O-N 2.81Å; P203-E206 WeakPolarHBondContact O-CB 3.44Å; P203-E206 PolarHBondContact O-N 2.84Å; M204-E206 VanDerWaalsContact C-N 3.25Å; M204-E206 PolarHBondContact O-N 3.21Å; E206-M209 CarbonylContact O-C 3.58Å; E206-P210 VanDerWaalsContact O-CA 3.29Å; E206-P210 WeakPolarHBondContact O-CA 3.43Å; E206-R217 IonicContact OE1-NH1 2.68Å; E206-R217 PolarHBondContact OE1-NH1 2.88Å
207I85Confident80.9Confident128 Ų12867 Ų6766%0.65637%0.372SS*.Hα-helixtrans-68-41.5176.8-64.5165.7000110.8P203 M204P203-I207 WeakPolarHBondContact O-CG1 3.25Å; P203-I207 PolarHBondContact O-N 3.1Å; M204-I207 PolarHBondContact O-N 2.66Å
208E81Confident80.1Confident46 Ų4664 Ų6422%0.21535%0.35CS..Hα-helixtrans-77.1-22.3-177.9-68.6-177.7167.300113.5Y199 M204 A205 R225 K236Y199-E208 PolarHBondContact OH-OE2 3.01Å; M204-E208 HydrophobicContact CE-CG 4.11Å; M204-E208 WeakPolarHBondContact CE-OE1 3.23Å; M204-E208 WeakPolarHBondContact O-CG 3.45Å; M204-E208 PolarHBondContact O-N 3.37Å; A205-E208 PolarHBondContact O-N 3.08Å; E208-R225 VanDerWaalsContact CD-NH1 3.33Å; E208-R225 IonicContact OE1-NH1 3.8Å; E208-R225 IonicContact OE2-CZ 3.75Å; E208-R225 IonicContact OE2-NH1 3.96Å; E208-R225 PolarHBondContact OE2-NH1 2.96Å; E208-K236 IonicContact OE1-NZ 2.87Å; E208-K236 PolarHBondContact OE1-NZ 3.07Å; E208-K236 IonicContact OE2-NZ 3.06Å
209M82Confident79.8Confident5 Ų560.4 Ų60.43%0.02533%0.329CS..  trans-139.866.6-179.7-65.2172-79.400111.5I122 Y199 A205 E206 E211 L212 R217 L221I122-M209 HydrophobicContact CD1-CG 3.93Å; I122-M209 HydrophobicContact CD1-SD 4.05Å; Y199-M209 HydrophobicContact CE1-CE 4.14Å; A205-M209 HydrophobicContact CB-CE 3.91Å; A205-M209 WeakPolarHBondContact O-CB 3.47Å; A205-M209 PolarHBondContact O-N 2.93Å; E206-M209 CarbonylContact O-C 3.58Å; M209-E211 VanDerWaalsContact C-N 3.3Å; M209-E211 PolarHBondContact O-N 3.15Å; M209-L212 HydrophobicContact CB-CB 4.32Å; M209-L212 HydrophobicContact CB-CD1 4.14Å; M209-L212 HydrophobicContact CB-CG 4.41Å; M209-L212 HydrophobicContact CG-CD1 4.17Å; M209-L212 PolarHBondContact O-N 3.32Å; M209-L212 HydrophobicContact SD-CD1 3.91Å; M209-R217 HydrophobicContact CB-CG 4.13Å; M209-R217 HydrophobicContact CE-CG 3.31Å; M209-R217 HydrophobicContact SD-CG 3.86Å; M209-L221 HydrophobicContact CE-CB 4.34Å; M209-L221 HydrophobicContact CE-CD2 3.5Å; M209-L221 VanDerWaalsContact CE-CD2 3.5Å; M209-L221 HydrophobicContact CG-CD2 3.8Å; M209-L221 HydrophobicContact SD-CB 4.11Å; M209-L221 HydrophobicContact SD-CD2 3.37Å; M209-L221 WeakPolarHBondContact SD-CD2 3.43Å; M209-L221 HydrophobicContact SD-CG 4.34Å
210P82.7Confident79.9Confident100 Ų10060.1 Ų60.165%0.64933%0.327SS*.THydrogen-bonded Turntrans-67.6-31.5-174.125.9-33.5000112.6E206 L212E206-P210 VanDerWaalsContact O-CA 3.29Å; E206-P210 WeakPolarHBondContact O-CA 3.43Å; P210-L212 VanDerWaalsContact C-N 3.32Å; P210-L212 PolarHBondContact O-N 3.49Å
211E83.5Confident80.3Confident189 Ų18959.5 Ų59.588%0.88332%0.323SS*.THydrogen-bonded Turntrans-81.5-10.1-176.2-54.5-157.6-17800113.9M209M209-E211 VanDerWaalsContact C-N 3.3Å; M209-E211 PolarHBondContact O-N 3.15Å
212L79.1Confident80.7Confident36 Ų3653.9 Ų53.919%0.18830%0.295CS..SBendtrans-95.9130.5-179.6-62.2-179.8000110.8I122 A125 M209 P210 L216 R217I122-L212 HydrophobicContact CD1-CD1 3.8Å; A125-L212 HydrophobicContact CB-CD1 3.73Å; A125-L212 HydrophobicContact CB-CD2 4.36Å; M209-L212 HydrophobicContact CB-CB 4.32Å; M209-L212 HydrophobicContact CB-CD1 4.14Å; M209-L212 HydrophobicContact CB-CG 4.41Å; M209-L212 HydrophobicContact CG-CD1 4.17Å; M209-L212 PolarHBondContact O-N 3.32Å; M209-L212 HydrophobicContact SD-CD1 3.91Å; P210-L212 VanDerWaalsContact C-N 3.32Å; P210-L212 PolarHBondContact O-N 3.49Å; L212-L216 HydrophobicContact CB-CB 4.26Å; L212-L216 HydrophobicContact CD2-CB 4.27Å; L212-R217 PolarHBondContact O-NH2 3.47Å
213S74.8Confident81.2Confident56 Ų5652.7 Ų52.739%0.39229%0.286SS..  trans-59.8154.9170.572.40000110.6N215 L216 R217S213-N215 PolarHBondContact O-N 3.04Å; S213-L216 CarbonylContact O-C 3.57Å; S213-L216 PolarHBondContact O-N 3.07Å; S213-L216 PolarHBondContact OG-N 3.34Å; S213-R217 WeakPolarHBondContact O-CB 3.49Å; S213-R217 PolarHBondContact O-N 2.91Å
214P69.5Low81.7Confident79 Ų7948.1 Ų48.151%0.51326%0.257SS..THydrogen-bonded Turntrans-52.8-28.3179.2-27.935000114.4
215N70.2Confident82.3Confident122 Ų12246.6 Ų46.665%0.65225%0.247SC*.THydrogen-bonded Turntrans-77.6-30.1177.3-73.8-23.7000113.7S213S213-N215 PolarHBondContact O-N 3.04Å
216L71.6Confident82.8Confident63 Ų6346.8 Ų46.833%0.3325%0.248SC..THydrogen-bonded Turntrans-91.9-18.6176.2-75165.4000112.6I127 L212 S213 S218I127-L216 HydrophobicContact CD1-CD2 4.16Å; I127-L216 HydrophobicContact CG1-CD2 4.03Å; L212-L216 HydrophobicContact CB-CB 4.26Å; L212-L216 HydrophobicContact CD2-CB 4.27Å; S213-L216 CarbonylContact O-C 3.57Å; S213-L216 PolarHBondContact O-N 3.07Å; S213-L216 PolarHBondContact OG-N 3.34Å; L216-S218 WeakPolarHBondContact O-CB 3.38Å; L216-S218 PolarHBondContact O-N 3.21Å
217R74.3Confident83.4Confident18 Ų1842.4 Ų42.47%0.06823%0.227CC..SBendtrans-62.393.6170.4-152173.8-65.3137.5-2.8107.2S200 A205 E206 M209 L212 S213S200-R217 WeakPolarHBondContact CB-O 3.33Å; S200-R217 VanDerWaalsContact O-CD 3.31Å; S200-R217 WeakPolarHBondContact O-CD 3.45Å; A205-R217 HydrophobicContact CB-CG 4.27Å; A205-R217 WeakPolarHBondContact O-CD 3.5Å; E206-R217 IonicContact OE1-NH1 2.68Å; E206-R217 PolarHBondContact OE1-NH1 2.88Å; M209-R217 HydrophobicContact CB-CG 4.13Å; M209-R217 HydrophobicContact CE-CG 3.31Å; M209-R217 HydrophobicContact SD-CG 3.86Å; L212-R217 PolarHBondContact O-NH2 3.47Å; S213-R217 WeakPolarHBondContact O-CB 3.49Å; S213-R217 PolarHBondContact O-N 2.91Å
218S69Low83.8Confident1 Ų137.3 Ų37.31%0.00720%0.201CC..  trans-87.8129-157.8-175.60000109.1K112 L216 G220 L221K112-S218 WeakPolarHBondContact CB-OG 3.23Å; L216-S218 WeakPolarHBondContact O-CB 3.38Å; L216-S218 PolarHBondContact O-N 3.21Å; S218-G220 PolarHBondContact O-N 2.73Å; S218-G220 VanDerWaalsContact O-N 3.08Å; S218-G220 VanDerWaalsContact OG-CA 3.3Å; S218-G220 WeakPolarHBondContact OG-CA 3.16Å; S218-G220 PolarHBondContact OG-N 2.79Å; S218-L221 WeakPolarHBondContact O-CB 3.33Å; S218-L221 PolarHBondContact O-N 3.17Å
219A78.9Confident84.4Confident2 Ų237.5 Ų37.52%0.01720%0.204CC..Hα-helixtrans-52.9-23.1160.100000111.4D104 S196 L221 S222 I223D104-A219 HydrophobicContact CB-CB 3.83Å; S196-A219 WeakPolarHBondContact OG-CB 3.36Å; A219-L221 VanDerWaalsContact C-N 3.26Å; A219-L221 PolarHBondContact O-N 2.88Å; A219-S222 PolarHBondContact O-N 2.85Å; A219-I223 WeakPolarHBondContact O-CG1 3.1Å; A219-I223 PolarHBondContact O-N 2.5Å
220G86.9Confident84.9Confident0 Ų037.4 Ų37.40%020%0.204CC..Hα-helixtrans-53.6-34167.800000114.1G102 S218 I223 A224G102-G220 VanDerWaalsContact CA-O 3.29Å; G102-G220 WeakPolarHBondContact CA-O 3.46Å; G102-G220 WeakPolarHBondContact O-CA 3.17Å; S218-G220 PolarHBondContact O-N 2.73Å; S218-G220 VanDerWaalsContact O-N 3.08Å; S218-G220 VanDerWaalsContact OG-CA 3.3Å; S218-G220 WeakPolarHBondContact OG-CA 3.16Å; S218-G220 PolarHBondContact OG-N 2.79Å; G220-I223 PolarHBondContact O-N 3.48Å; G220-A224 WeakPolarHBondContact O-CB 3.39Å; G220-A224 PolarHBondContact O-N 3.39Å
221L93Very high85.4Confident0 Ų033 Ų330%018%0.175CC..Hα-helixtrans-64.2-47.1177-178.862.9000111.1A114 I116 M209 S218 A219 I223 A224 R225A114-L221 HydrophobicContact CB-CB 3.92Å; A114-L221 HydrophobicContact CB-CD1 4.38Å; I116-L221 HydrophobicContact CG2-CD1 3.3Å; M209-L221 HydrophobicContact CE-CB 4.34Å; M209-L221 HydrophobicContact CE-CD2 3.5Å; M209-L221 VanDerWaalsContact CE-CD2 3.5Å; M209-L221 HydrophobicContact CG-CD2 3.8Å; M209-L221 HydrophobicContact SD-CB 4.11Å; M209-L221 HydrophobicContact SD-CD2 3.37Å; M209-L221 WeakPolarHBondContact SD-CD2 3.43Å; M209-L221 HydrophobicContact SD-CG 4.34Å; S218-L221 WeakPolarHBondContact O-CB 3.33Å; S218-L221 PolarHBondContact O-N 3.17Å; A219-L221 VanDerWaalsContact C-N 3.26Å; A219-L221 PolarHBondContact O-N 2.88Å; L221-I223 VanDerWaalsContact C-N 3.31Å; L221-I223 PolarHBondContact O-N 2.92Å; L221-A224 PolarHBondContact O-N 3.46Å; L221-R225 HydrophobicContact CD1-CG 4.34Å; L221-R225 WeakPolarHBondContact O-CB 3.19Å; L221-R225 WeakPolarHBondContact O-CG 3.14Å; L221-R225 PolarHBondContact O-N 3.1Å
222S92.6Very high85.6Confident0 Ų025.1 Ų25.10%014%0.14CC..Hα-helixtrans-64.3-39.4176.4-170.80000111.2A219 A224 R225 R226 E233A219-S222 PolarHBondContact O-N 2.85Å; S222-A224 VanDerWaalsContact C-N 3.35Å; S222-A224 PolarHBondContact O-N 3.23Å; S222-R225 PolarHBondContact O-N 3.1Å; S222-R226 WeakPolarHBondContact O-CB 3.16Å; S222-R226 WeakPolarHBondContact O-CD 3.15Å; S222-R226 WeakPolarHBondContact O-CG 3.48Å; S222-R226 PolarHBondContact O-N 3.4Å; S222-R226 PolarHBondContact OG-NE 2.89Å; S222-R226 PolarHBondContact OG-NH2 3.26Å; S222-E233 VanDerWaalsContact CA-OE1 3.25Å; S222-E233 WeakPolarHBondContact CA-OE1 3.22Å; S222-E233 VanDerWaalsContact CB-OE1 3.23Å; S222-E233 WeakPolarHBondContact CB-OE1 3.21Å; S222-E233 PolarHBondContact OG-OE1 3.22Å
223I95.3Very high86.1Confident0 Ų023.6 Ų23.60%013%0.132CC..Hα-helixtrans-61.3-42.2175.8-68.4165000111.6V103 D104 A158 V191 E193 A219 G220 L221V103-I223 WeakPolarHBondContact O-CD1 3.33Å; D104-I223 HydrophobicContact CB-CD1 4.02Å; A158-I223 HydrophobicContact CB-CG2 3.7Å; A158-I223 WeakPolarHBondContact O-CG2 3.48Å; V191-I223 HydrophobicContact CB-CG2 4.36Å; E193-I223 HydrophobicContact CB-CD1 4.04Å; E193-I223 HydrophobicContact CB-CG1 4.27Å; A219-I223 WeakPolarHBondContact O-CG1 3.1Å; A219-I223 PolarHBondContact O-N 2.5Å; G220-I223 PolarHBondContact O-N 3.48Å; L221-I223 VanDerWaalsContact C-N 3.31Å; L221-I223 PolarHBondContact O-N 2.92Å
224A96Very high86.9Confident0 Ų021.3 Ų21.30%012%0.115CC..Hα-helixtrans-63.9-49.6176.600000111.2I100 I116 G220 L221 S222 R226 V227 L228I100-A224 HydrophobicContact CG2-CB 4.04Å; I116-A224 HydrophobicContact CD1-CB 3.63Å; I116-A224 HydrophobicContact CG1-CB 3.9Å; I116-A224 HydrophobicContact CG2-CB 4.22Å; G220-A224 WeakPolarHBondContact O-CB 3.39Å; G220-A224 PolarHBondContact O-N 3.39Å; L221-A224 PolarHBondContact O-N 3.46Å; S222-A224 VanDerWaalsContact C-N 3.35Å; S222-A224 PolarHBondContact O-N 3.23Å; A224-R226 VanDerWaalsContact C-N 3.32Å; A224-R226 PolarHBondContact O-N 3.38Å; A224-V227 WeakPolarHBondContact O-CB 3.35Å; A224-V227 PolarHBondContact O-N 2.97Å; A224-L228 PolarHBondContact O-N 2.72Å
225R94Very high87.7Confident37 Ų3719 Ų1914%0.1410%0.098CC..Hα-helixtrans-67-30.3-178.1-74179.8174170.5-3.4113.1I116 G120 E208 L221 S222 V227 L228 D229 E233I116-R225 HydrophobicContact CD1-CG 3.95Å; G120-R225 PolarHBondContact O-NE 2.89Å; G120-R225 VanDerWaalsContact O-NE 3.14Å; G120-R225 PolarHBondContact O-NH2 3.05Å; E208-R225 VanDerWaalsContact CD-NH1 3.33Å; E208-R225 IonicContact OE1-NH1 3.8Å; E208-R225 IonicContact OE2-CZ 3.75Å; E208-R225 IonicContact OE2-NH1 3.96Å; E208-R225 PolarHBondContact OE2-NH1 2.96Å; L221-R225 HydrophobicContact CD1-CG 4.34Å; L221-R225 WeakPolarHBondContact O-CB 3.19Å; L221-R225 WeakPolarHBondContact O-CG 3.14Å; L221-R225 PolarHBondContact O-N 3.1Å; S222-R225 PolarHBondContact O-N 3.1Å; R225-V227 PolarHBondContact O-N 3.21Å; R225-L228 PolarHBondContact O-N 3Å; R225-D229 CarbonylContact O-C 3.55Å; R225-D229 PolarHBondContact O-N 2.93Å; R225-E233 HydrophobicContact CB-CB 4.2Å; R225-E233 HydrophobicContact CB-CG 3.74Å; R225-E233 WeakPolarHBondContact CB-OE2 3.07Å; R225-E233 WeakPolarHBondContact CD-OE2 3.34Å
226R94.6Very high88.3Confident4 Ų416 Ų162%0.0158%0.079CC..Hα-helixtrans-61.8-26.4170.3-75.5166.2-161.6-148.42.8112.8V191 N192 T194 S196 S222 A224 P230 E233 Y234V191-R226 HydrophobicContact CG1-CB 3.97Å; N192-R226 PolarHBondContact O-NH1 2.79Å; T194-R226 PolarHBondContact O-NH1 3.47Å; T194-R226 PolarHBondContact O-NH2 2.77Å; S196-R226 VanDerWaalsContact N-NH2 3.13Å; S222-R226 WeakPolarHBondContact O-CB 3.16Å; S222-R226 WeakPolarHBondContact O-CD 3.15Å; S222-R226 WeakPolarHBondContact O-CG 3.48Å; S222-R226 PolarHBondContact O-N 3.4Å; S222-R226 PolarHBondContact OG-NE 2.89Å; S222-R226 PolarHBondContact OG-NH2 3.26Å; A224-R226 VanDerWaalsContact C-N 3.32Å; A224-R226 PolarHBondContact O-N 3.38Å; R226-P230 WeakPolarHBondContact O-CA 3.44Å; R226-P230 WeakPolarHBondContact O-CD 3.4Å; R226-P230 WeakPolarHBondContact O-CG 3.2Å; R226-E233 HydrophobicContact CG-CB 4.13Å; R226-E233 HydrophobicContact CG-CG 3.69Å; R226-Y234 HydrophobicContact CB-CE2 4.41Å; R226-Y234 HydrophobicContact CG-CD2 4.49Å; R226-Y234 HydrophobicContact CG-CE1 4.2Å; R226-Y234 HydrophobicContact CG-CE2 4Å; R226-Y234 VanDerWaalsContact NH1-CE1 3.33Å
227V96.5Very high88.9Confident4 Ų413.4 Ų13.42%0.0247%0.066CC..Hα-helixtrans-83.5-37.1174.3174.10000111.1V95 I100 A158 R189 V191 A224 R225V95-V227 HydrophobicContact CB-CG1 3.82Å; V95-V227 HydrophobicContact CG2-CG1 3.76Å; V95-V227 PolarHBondContact N-O 3.38Å; I100-V227 HydrophobicContact CD1-CB 4.43Å; I100-V227 HydrophobicContact CD1-CG1 4.16Å; I100-V227 HydrophobicContact CG2-CB 4.47Å; A158-V227 HydrophobicContact CB-CB 4.23Å; A158-V227 HydrophobicContact CB-CG2 3.44Å; A158-V227 VanDerWaalsContact CB-CG2 3.44Å; R189-V227 HydrophobicContact CG-CG2 4.2Å; V191-V227 HydrophobicContact CG2-CG2 3.42Å; V191-V227 VanDerWaalsContact CG2-CG2 3.42Å; A224-V227 WeakPolarHBondContact O-CB 3.35Å; A224-V227 PolarHBondContact O-N 2.97Å; R225-V227 PolarHBondContact O-N 3.21Å
228L95.2Very high89.2Confident21 Ų2114.4 Ų14.411%0.118%0.081CC..Hα-helixtrans-63-51.7175.7179.261.9000111.7P94 I100 I116 A118 G120 A224 R225P94-L228 WeakPolarHBondContact CB-O 2.96Å; I100-L228 HydrophobicContact CD1-CB 3.88Å; I100-L228 HydrophobicContact CD1-CD1 4.37Å; I116-L228 HydrophobicContact CD1-CB 4.17Å; I116-L228 HydrophobicContact CD1-CD2 4.13Å; A118-L228 WeakPolarHBondContact O-CD1 3.3Å; G120-L228 VanDerWaalsContact CA-CD2 3.44Å; A224-L228 PolarHBondContact O-N 2.72Å; R225-L228 PolarHBondContact O-N 3Å
229D92.6Very high89.7Confident51 Ų5115.9 Ų15.927%0.2739%0.091SC..  trans-153.293.1-179.7-173.7-5.2000110.5R225 L231 S232 E233R225-D229 CarbonylContact O-C 3.55Å; R225-D229 PolarHBondContact O-N 2.93Å; D229-L231 VanDerWaalsContact C-N 3.34Å; D229-L231 PolarHBondContact O-N 3.19Å; D229-L231 PolarHBondContact OD1-N 3.05Å; D229-S232 VanDerWaalsContact CG-OG 3.29Å; D229-S232 PolarHBondContact OD1-N 3.48Å; D229-S232 VanDerWaalsContact OD2-CB 3.27Å; D229-S232 WeakPolarHBondContact OD2-CB 3.43Å; D229-S232 PolarHBondContact OD2-OG 2.87Å; D229-E233 WeakPolarHBondContact O-CB 3.35Å; D229-E233 PolarHBondContact O-N 3Å
230P93Very high89.8Confident2 Ų218.2 Ų18.21%0.01311%0.11CC..Hα-helixtrans-54.8-46.1179.9-23.329.2000113.3T92 R226 E233 Y234T92-P230 HydrophobicContact CG2-CG 3.96Å; T92-P230 WeakPolarHBondContact O-CG 3.37Å; R226-P230 WeakPolarHBondContact O-CA 3.44Å; R226-P230 WeakPolarHBondContact O-CD 3.4Å; R226-P230 WeakPolarHBondContact O-CG 3.2Å; P230-E233 PolarHBondContact O-N 2.8Å; P230-Y234 HydrophobicContact CB-CD2 4.06Å; P230-Y234 HydrophobicContact CB-CE2 4.08Å; P230-Y234 WeakPolarHBondContact O-CB 3.3Å; P230-Y234 WeakPolarHBondContact O-CD2 3.38Å; P230-Y234 PolarHBondContact O-N 3.1Å
231L91.9Very high89.7Confident9 Ų919.8 Ų19.85%0.04712%0.121CC..Hα-helixtrans-60.4-53.9-174.3177.763.4000110.4L90 D229 E233 I235 C267 V268 V271 L282L90-L231 HydrophobicContact CB-CD1 3.94Å; L90-L231 HydrophobicContact CD1-CD1 4.22Å; L90-L231 HydrophobicContact CD2-CD1 4.22Å; L90-L231 HydrophobicContact CG-CD1 4.34Å; D229-L231 VanDerWaalsContact C-N 3.34Å; D229-L231 PolarHBondContact O-N 3.19Å; D229-L231 PolarHBondContact OD1-N 3.05Å; L231-E233 PolarHBondContact O-N 3.38Å; L231-I235 WeakPolarHBondContact O-CG2 3.37Å; L231-I235 PolarHBondContact O-N 3.45Å; L231-C267 HydrophobicContact CD1-CB 3.92Å; L231-V268 HydrophobicContact CD1-CG2 4.25Å; L231-V268 HydrophobicContact CD2-CG2 4.07Å; L231-V268 HydrophobicContact CG-CG2 4.46Å; L231-V271 HydrophobicContact CD2-CB 4.48Å; L231-V271 HydrophobicContact CD2-CG2 4.49Å; L231-L282 HydrophobicContact CD2-CD1 4.1Å; L231-L282 HydrophobicContact CG-CD1 3.95Å
232S88.9Confident89.2Confident23 Ų2320 Ų2016%0.16112%0.122CC..Hα-helixtrans-63.4-28.1-178.5-63.30000113.8D229 I235D229-S232 VanDerWaalsContact CG-OG 3.29Å; D229-S232 PolarHBondContact OD1-N 3.48Å; D229-S232 VanDerWaalsContact OD2-CB 3.27Å; D229-S232 WeakPolarHBondContact OD2-CB 3.43Å; D229-S232 PolarHBondContact OD2-OG 2.87Å; S232-I235 WeakPolarHBondContact O-CG1 3.44Å
233E90.1Very high88.6Confident4 Ų422.7 Ų22.72%0.01914%0.141CC..Hα-helixtrans-90.1-37.2-177-172.258.8-159.900112.7S222 R225 R226 D229 P230 L231 I235 K236S222-E233 VanDerWaalsContact CA-OE1 3.25Å; S222-E233 WeakPolarHBondContact CA-OE1 3.22Å; S222-E233 VanDerWaalsContact CB-OE1 3.23Å; S222-E233 WeakPolarHBondContact CB-OE1 3.21Å; S222-E233 PolarHBondContact OG-OE1 3.22Å; R225-E233 HydrophobicContact CB-CB 4.2Å; R225-E233 HydrophobicContact CB-CG 3.74Å; R225-E233 WeakPolarHBondContact CB-OE2 3.07Å; R225-E233 WeakPolarHBondContact CD-OE2 3.34Å; R226-E233 HydrophobicContact CG-CB 4.13Å; R226-E233 HydrophobicContact CG-CG 3.69Å; D229-E233 WeakPolarHBondContact O-CB 3.35Å; D229-E233 PolarHBondContact O-N 3Å; P230-E233 PolarHBondContact O-N 2.8Å; L231-E233 PolarHBondContact O-N 3.38Å; E233-I235 PolarHBondContact O-N 3.37Å; E233-K236 PolarHBondContact O-N 3.18Å; E233-K236 IonicContact OE2-NZ 2.73Å; E233-K236 PolarHBondContact OE2-NZ 2.91Å
234Y90Very high88Confident8 Ų823.5 Ų23.53%0.03115%0.146CC..Hα-helixtrans-70.2-30.5179.6-81.1-63.7000113.4L89 L90 N192 R226 P230 K236 I237 L242L89-Y234 HydrophobicContact CD1-CE1 4.32Å; L89-Y234 HydrophobicContact CD1-CE2 3.68Å; L89-Y234 WeakPolarHBondContact CD1-OH 3.42Å; L89-Y234 HydrophobicContact CD2-CD1 3.88Å; L89-Y234 HydrophobicContact CD2-CD2 4.26Å; L89-Y234 HydrophobicContact CD2-CE1 3.6Å; L89-Y234 HydrophobicContact CD2-CE2 4.04Å; L89-Y234 HydrophobicContact CD2-CG 4.22Å; L89-Y234 HydrophobicContact CG-CD1 4.38Å; L89-Y234 HydrophobicContact CG-CD2 3.87Å; L89-Y234 HydrophobicContact CG-CE1 4.05Å; L89-Y234 HydrophobicContact CG-CE2 3.52Å; L89-Y234 HydrophobicContact CG-CG 4.32Å; L90-Y234 VanDerWaalsContact CD2-CB 3.48Å; L90-Y234 HydrophobicContact CD2-CD2 4.42Å; L90-Y234 HydrophobicContact CD2-CG 4.29Å; N192-Y234 PolarHBondContact O-OH 3.18Å; R226-Y234 HydrophobicContact CB-CE2 4.41Å; R226-Y234 HydrophobicContact CG-CD2 4.49Å; R226-Y234 HydrophobicContact CG-CE1 4.2Å; R226-Y234 HydrophobicContact CG-CE2 4Å; R226-Y234 VanDerWaalsContact NH1-CE1 3.33Å; P230-Y234 HydrophobicContact CB-CD2 4.06Å; P230-Y234 HydrophobicContact CB-CE2 4.08Å; P230-Y234 WeakPolarHBondContact O-CB 3.3Å; P230-Y234 WeakPolarHBondContact O-CD2 3.38Å; P230-Y234 PolarHBondContact O-N 3.1Å; Y234-K236 PolarHBondContact O-N 3.21Å; Y234-I237 HydrophobicContact CD1-CD1 4.24Å; Y234-I237 WeakPolarHBondContact O-CB 3.29Å; Y234-I237 PolarHBondContact O-N 3.14Å; Y234-I237 VanDerWaalsContact O-N 3.1Å; Y234-L242 HydrophobicContact CD1-CD2 3.75Å; Y234-L242 HydrophobicContact CG-CD2 4.48Å
235I87Confident87.2Confident29 Ų2924.3 Ų24.315%0.14915%0.154CC..THydrogen-bonded Turntrans-65.2-21.2178.461166.4000113.1L231 S232 E233 I237 V264 D281 L282L231-I235 WeakPolarHBondContact O-CG2 3.37Å; L231-I235 PolarHBondContact O-N 3.45Å; S232-I235 WeakPolarHBondContact O-CG1 3.44Å; E233-I235 PolarHBondContact O-N 3.37Å; I235-I237 PolarHBondContact O-N 3.31Å; I235-V264 HydrophobicContact CG2-CB 4.38Å; I235-V264 HydrophobicContact CG2-CG1 3.51Å; I235-V264 HydrophobicContact CG2-CG2 3.84Å; I235-D281 HydrophobicContact CD1-CB 4.14Å; I235-L282 HydrophobicContact CD1-CB 4.02Å; I235-L282 HydrophobicContact CD1-CD1 3.79Å
236K83.7Confident86.5Confident60 Ų6029.8 Ų29.826%0.26118%0.183SC..THydrogen-bonded Turntrans-70.4-10.9176-59.4179.9-177176.60112.9E208 E233 Y234E208-K236 IonicContact OE1-NZ 2.87Å; E208-K236 PolarHBondContact OE1-NZ 3.07Å; E208-K236 IonicContact OE2-NZ 3.06Å; E233-K236 PolarHBondContact O-N 3.18Å; E233-K236 IonicContact OE2-NZ 2.73Å; E233-K236 PolarHBondContact OE2-NZ 2.91Å; Y234-K236 PolarHBondContact O-N 3.21Å
237I83.7Confident85.9Confident9 Ų933.7 Ų33.75%0.04620%0.198CC..SBendtrans-103.7129.6-172.9-56.7173.4000109.5Y234 I235 L242Y234-I237 HydrophobicContact CD1-CD1 4.24Å; Y234-I237 WeakPolarHBondContact O-CB 3.29Å; Y234-I237 PolarHBondContact O-N 3.14Å; Y234-I237 VanDerWaalsContact O-N 3.1Å; I235-I237 PolarHBondContact O-N 3.31Å; I237-L242 HydrophobicContact CB-CD2 3.93Å; I237-L242 HydrophobicContact CB-CG 4.42Å; I237-L242 HydrophobicContact CD1-CD2 4.38Å; I237-L242 HydrophobicContact CG2-CD2 4Å; I237-L242 HydrophobicContact CG2-CG 4.17Å
238G80.9Confident85.2Confident38 Ų3834 Ų3439%0.39220%0.199SC..  trans-56.7143.3178.600000112.9A240 S241G238-A240 VanDerWaalsContact C-N 3.26Å; G238-A240 PolarHBondContact O-N 3.45Å; G238-S241 WeakPolarHBondContact O-CB 3.33Å; G238-S241 PolarHBondContact O-N 3.41Å
239P79.9Confident84.8Confident33 Ų3339.3 Ų39.321%0.21422%0.224CC..G310 helixtrans-47.7-41.9-176-34.136.2000115.6S241 L256 K257 V260P239-S241 PolarHBondContact O-N 3.01Å; P239-L256 HydrophobicContact CB-CD2 4Å; P239-L256 HydrophobicContact CB-CG 3.98Å; P239-K257 HydrophobicContact CG-CB 4.5Å; P239-V260 HydrophobicContact CB-CB 4.24Å; P239-V260 HydrophobicContact CB-CG2 3.55Å; P239-V260 HydrophobicContact CG-CB 3.96Å; P239-V260 HydrophobicContact CG-CG1 4.17Å; P239-V260 HydrophobicContact CG-CG2 3.83Å
240A79.8Confident84.6Confident51 Ų5138.9 Ų38.942%0.42122%0.221SC..G310 helixtrans-70.8-16.5-178.200000113.7G238 Q248 L256G238-A240 VanDerWaalsContact C-N 3.26Å; G238-A240 PolarHBondContact O-N 3.45Å; A240-Q248 PolarHBondContact O-NE2 2.77Å; A240-L256 HydrophobicContact CB-CD2 4.27Å
241S84.4Confident84.3Confident32 Ų3239.3 Ų39.322%0.22422%0.223CC..G310 helixtrans-97.3-10.1-175.8-59.80000113.2T194 G195 G238 P239 S243T194-S241 WeakPolarHBondContact CG2-O 3.39Å; G195-S241 PolarHBondContact N-O 3.13Å; G238-S241 WeakPolarHBondContact O-CB 3.33Å; G238-S241 PolarHBondContact O-N 3.41Å; P239-S241 PolarHBondContact O-N 3.01Å; S241-S243 VanDerWaalsContact C-N 3.31Å; S241-S243 PolarHBondContact O-N 3.42Å
242L82.5Confident84.2Confident4 Ų441.7 Ų41.72%0.02124%0.239CC..SBendtrans-72.8-22-179.4-71.2165.8000112.9L86 Y234 I237 V244 V260L86-L242 HydrophobicContact CD1-CD1 3.84Å; Y234-L242 HydrophobicContact CD1-CD2 3.75Å; Y234-L242 HydrophobicContact CG-CD2 4.48Å; I237-L242 HydrophobicContact CB-CD2 3.93Å; I237-L242 HydrophobicContact CB-CG 4.42Å; I237-L242 HydrophobicContact CD1-CD2 4.38Å; I237-L242 HydrophobicContact CG2-CD2 4Å; I237-L242 HydrophobicContact CG2-CG 4.17Å; L242-V244 HydrophobicContact CB-CG1 4.39Å; L242-V244 WeakPolarHBondContact O-CG1 3.48Å; L242-V244 PolarHBondContact O-N 3.46Å; L242-V244 VanDerWaalsContact O-N 3.07Å; L242-V260 HydrophobicContact CD1-CG2 4.5Å
243S80.6Confident84.2Confident57 Ų5745.1 Ų45.140%0.39926%0.263SS..  trans42.940.8177.4-44.40000115.8T194 S241 Q248T194-S243 WeakPolarHBondContact CG2-OG 3.23Å; S241-S243 VanDerWaalsContact C-N 3.31Å; S241-S243 PolarHBondContact O-N 3.42Å; S243-Q248 PolarHBondContact OG-NE2 2.93Å
244V83.2Confident84.3Confident18 Ų1849.6 Ų49.611%0.10929%0.291CS..  trans-90.8-1.7178.9-63.50000113.5F82 N85 L86 L89 L242F82-V244 HydrophobicContact CD2-CG2 3.4Å; F82-V244 HydrophobicContact CE2-CG2 3.28Å; F82-V244 HydrophobicContact CG-CG2 4.19Å; F82-V244 HydrophobicContact CZ-CG2 3.99Å; N85-V244 HydrophobicContact CB-CB 4.01Å; N85-V244 VanDerWaalsContact CB-O 3.29Å; N85-V244 WeakPolarHBondContact CB-O 3.44Å; N85-V244 PolarHBondContact ND2-O 3.38Å; L86-V244 HydrophobicContact CB-CG2 4.07Å; L89-V244 HydrophobicContact CD2-CG1 3.62Å; L242-V244 HydrophobicContact CB-CG1 4.39Å; L242-V244 WeakPolarHBondContact O-CG1 3.48Å; L242-V244 PolarHBondContact O-N 3.46Å; L242-V244 VanDerWaalsContact O-N 3.07Å
245G79.4Confident84.4Confident16 Ų1651.9 Ų51.917%0.16531%0.306CS..SBendtrans-135.2143.3-175.500000114.5
246M78Confident84.6Confident152 Ų15250.9 Ų50.975%0.74930%0.301SS*.THydrogen-bonded Turntrans-67.5135.4170.9-72.8-161.7-7200110.9Q248M246-Q248 PolarHBondContact O-N 3.31Å
247Y81.7Confident84.9Confident86 Ų8654 Ų5434%0.33731%0.314SS..THydrogen-bonded Turntrans60.726.6-179.5-49.8-77.1000114.5M1 A2 H249 D250 I251M1-Y247 HydrophobicContact CB-CD1 4.28Å; M1-Y247 HydrophobicContact CB-CD2 3.71Å; M1-Y247 HydrophobicContact CB-CE2 4.17Å; M1-Y247 HydrophobicContact CB-CG 3.78Å; A2-Y247 HydrophobicContact CB-CE1 4.3Å; A2-Y247 WeakPolarHBondContact CB-OH 3.28Å; Y247-H249 PolarHBondContact O-N 3.45Å; Y247-H249 VanDerWaalsContact O-N 3.14Å; Y247-D250 WeakPolarHBondContact CD1-OD2 3.5Å; Y247-D250 WeakPolarHBondContact O-CA 3.47Å; Y247-D250 WeakPolarHBondContact O-CB 3.43Å; Y247-D250 PolarHBondContact O-N 2.94Å; Y247-I251 PolarHBondContact O-N 2.91Å
248Q83Confident85.3Confident10 Ų1057.8 Ų57.85%0.04734%0.338CS..G310 helixtrans-52-38.3177.971.6-179.1-8.300113A240 S243 M246 D250 I251A240-Q248 PolarHBondContact O-NE2 2.77Å; S243-Q248 PolarHBondContact OG-NE2 2.93Å; M246-Q248 PolarHBondContact O-N 3.31Å; Q248-D250 PolarHBondContact O-N 2.87Å; Q248-I251 WeakPolarHBondContact O-CB 3.44Å; Q248-I251 PolarHBondContact O-N 2.96Å; Q248-I251 VanDerWaalsContact O-N 3.12Å
249H85.8Confident85.8Confident134 Ų13456.9 Ų56.962%0.6233%0.325SS*.G310 helixtrans-73.7-9.5179.4-58.3-69.2000113.5Y247Y247-H249 PolarHBondContact O-N 3.45Å; Y247-H249 VanDerWaalsContact O-N 3.14Å
250D88.3Confident86.3Confident41 Ų4155.8 Ų55.822%0.21932%0.317CS..G310 helixtrans-97.4-3.7174.6-57.5-73000111.8M1 R5 Y247 Q248M1-D250 HydrophobicContact CE-CB 3.78Å; R5-D250 WeakPolarHBondContact CD-OD2 3.49Å; R5-D250 IonicContact NH1-OD2 3.62Å; R5-D250 PolarHBondContact NH1-OD2 3.18Å; R5-D250 VanDerWaalsContact NH1-OD2 3.14Å; Y247-D250 WeakPolarHBondContact CD1-OD2 3.5Å; Y247-D250 WeakPolarHBondContact O-CA 3.47Å; Y247-D250 WeakPolarHBondContact O-CB 3.43Å; Y247-D250 PolarHBondContact O-N 2.94Å; Q248-D250 PolarHBondContact O-N 2.87Å
251I87.7Confident86.8Confident12 Ų1256.3 Ų56.36%0.06231%0.313CS..SBendtrans-89.6138.9171.7-58.7172.8000108.4M1 R75 A78 V79 Y247 Q248 S253 V255M1-I251 HydrophobicContact CE-CG1 4.48Å; R75-I251 HydrophobicContact CG-CG1 4.45Å; A78-I251 HydrophobicContact CB-CD1 4.08Å; V79-I251 HydrophobicContact CG2-CD1 3.89Å; V79-I251 HydrophobicContact CG2-CG1 4.47Å; V79-I251 HydrophobicContact CG2-CG2 3.83Å; Y247-I251 PolarHBondContact O-N 2.91Å; Q248-I251 WeakPolarHBondContact O-CB 3.44Å; Q248-I251 PolarHBondContact O-N 2.96Å; Q248-I251 VanDerWaalsContact O-N 3.12Å; I251-S253 PolarHBondContact O-N 3.49Å; I251-V255 HydrophobicContact CG2-CB 4.16Å; I251-V255 HydrophobicContact CG2-CG1 4.15Å
252P89.7Confident87.1Confident58 Ų5857.9 Ų57.938%0.37732%0.321SS..  trans-56.4135.1173.6-23.634000111.7T254 V255 L256P252-T254 VanDerWaalsContact C-N 3.25Å; P252-T254 PolarHBondContact O-N 2.98Å; P252-V255 HydrophobicContact CB-CB 4.48Å; P252-V255 HydrophobicContact CB-CG2 4.11Å; P252-V255 HydrophobicContact CG-CG2 4.33Å; P252-V255 PolarHBondContact O-N 2.96Å; P252-V255 VanDerWaalsContact O-N 3.1Å; P252-L256 PolarHBondContact O-N 3.06Å
253S89.4Confident87.7Confident95 Ų9557.9 Ų57.966%0.66432%0.322SS*.Hα-helixtrans-59.2-34.1-176.652.20000113.5I251 L256 K257I251-S253 PolarHBondContact O-N 3.49Å; S253-L256 PolarHBondContact O-N 3.3Å; S253-K257 WeakPolarHBondContact O-CB 3.39Å; S253-K257 PolarHBondContact O-N 2.69Å
254T92.1Very high88.2Confident98 Ų9855.3 Ų55.360%0.60130%0.304SS*.Hα-helixtrans-62.7-45.7175.850.70000111.7P252 L256 K257 T258P252-T254 VanDerWaalsContact C-N 3.25Å; P252-T254 PolarHBondContact O-N 2.98Å; T254-L256 VanDerWaalsContact C-N 3.33Å; T254-L256 PolarHBondContact O-N 2.85Å; T254-K257 PolarHBondContact O-N 3.22Å; T254-T258 PolarHBondContact O-N 2.87Å; T254-T258 PolarHBondContact O-OG1 2.96Å; T254-T258 VanDerWaalsContact O-OG1 3.08Å
255V92Very high88.6Confident57 Ų5758.4 Ų58.435%0.34532%0.317SS..Hα-helixtrans-63.3-43.1176.6178.40000110.3V79 I251 P252 T258 T259V79-V255 HydrophobicContact CG1-CG1 4.45Å; V79-V255 HydrophobicContact CG2-CG1 3.83Å; I251-V255 HydrophobicContact CG2-CB 4.16Å; I251-V255 HydrophobicContact CG2-CG1 4.15Å; P252-V255 HydrophobicContact CB-CB 4.48Å; P252-V255 HydrophobicContact CB-CG2 4.11Å; P252-V255 HydrophobicContact CG-CG2 4.33Å; P252-V255 PolarHBondContact O-N 2.96Å; P252-V255 VanDerWaalsContact O-N 3.1Å; V255-T258 PolarHBondContact O-N 3.41Å; V255-T259 WeakPolarHBondContact O-CB 3.28Å; V255-T259 PolarHBondContact O-N 3.05Å; V255-T259 PolarHBondContact O-OG1 3.22Å
256L90.3Very high89.3Confident8 Ų862.8 Ų62.84%0.04233%0.333CS..Hα-helixtrans-61.8-46.1178.7-167.170000111.4F82 P239 A240 P252 S253 T254 T259 V260F82-L256 HydrophobicContact CD1-CD1 3.87Å; F82-L256 HydrophobicContact CD2-CD1 3.93Å; F82-L256 HydrophobicContact CE1-CD1 3.61Å; F82-L256 HydrophobicContact CE1-CG 4.43Å; F82-L256 HydrophobicContact CE2-CD1 3.67Å; F82-L256 HydrophobicContact CG-CD1 4.05Å; F82-L256 HydrophobicContact CZ-CD1 3.51Å; F82-L256 HydrophobicContact CZ-CG 4.18Å; P239-L256 HydrophobicContact CB-CD2 4Å; P239-L256 HydrophobicContact CB-CG 3.98Å; A240-L256 HydrophobicContact CB-CD2 4.27Å; P252-L256 PolarHBondContact O-N 3.06Å; S253-L256 PolarHBondContact O-N 3.3Å; T254-L256 VanDerWaalsContact C-N 3.33Å; T254-L256 PolarHBondContact O-N 2.85Å; L256-T259 PolarHBondContact O-N 3.18Å; L256-V260 WeakPolarHBondContact O-CG2 3.29Å; L256-V260 PolarHBondContact O-N 3.28Å
257K90.1Very high90Very high125 Ų12555.6 Ų55.654%0.54330%0.298SS..Hα-helixtrans-59.9-52.9177.5-177.1177.6177.6-178.30111.5P239 S253 T254 T259 V260 D261P239-K257 HydrophobicContact CG-CB 4.5Å; S253-K257 WeakPolarHBondContact O-CB 3.39Å; S253-K257 PolarHBondContact O-N 2.69Å; T254-K257 PolarHBondContact O-N 3.22Å; K257-T259 PolarHBondContact O-N 3.05Å; K257-V260 PolarHBondContact O-N 2.96Å; K257-V260 VanDerWaalsContact O-N 3.1Å; K257-D261 VanDerWaalsContact O-CG 3.26Å; K257-D261 PolarHBondContact O-N 3Å
258T91.8Very high90.5Very high88 Ų8851.5 Ų51.554%0.5428%0.282SS..Hα-helixtrans-57.5-37.2178-570000112T254 V255 T262T254-T258 PolarHBondContact O-N 2.87Å; T254-T258 PolarHBondContact O-OG1 2.96Å; T254-T258 VanDerWaalsContact O-OG1 3.08Å; V255-T258 PolarHBondContact O-N 3.41Å; T258-T262 WeakPolarHBondContact O-CB 3.42Å; T258-T262 PolarHBondContact O-N 3.38Å; T258-T262 PolarHBondContact O-OG1 3.19Å
259T92.3Very high90.8Very high19 Ų1952.1 Ų52.112%0.11729%0.287CS..Hα-helixtrans-66.2-45.6177-52.60000111.4V79 F82 A83 V255 L256 K257 T262 V263V79-T259 HydrophobicContact CG1-CG2 3.82Å; V79-T259 VanDerWaalsContact CG1-OG1 3.31Å; V79-T259 WeakPolarHBondContact CG1-OG1 3.32Å; F82-T259 HydrophobicContact CD1-CG2 3.93Å; F82-T259 HydrophobicContact CE1-CG2 4.22Å; A83-T259 HydrophobicContact CB-CG2 3.79Å; V255-T259 WeakPolarHBondContact O-CB 3.28Å; V255-T259 PolarHBondContact O-N 3.05Å; V255-T259 PolarHBondContact O-OG1 3.22Å; L256-T259 PolarHBondContact O-N 3.18Å; K257-T259 PolarHBondContact O-N 3.05Å; T259-T262 PolarHBondContact O-N 2.69Å; T259-V263 HydrophobicContact CG2-CG2 4.42Å; T259-V263 VanDerWaalsContact O-CG2 3.28Å; T259-V263 WeakPolarHBondContact O-CG2 3.35Å; T259-V263 PolarHBondContact O-N 3.3Å
260V90.9Very high91.1Very high10 Ų1053.3 Ų53.36%0.06129%0.291CS..Hα-helixtrans-60.2-50.8175.2172.40000110.7F82 L86 P239 L242 L256 K257 T262 V263 V264F82-V260 HydrophobicContact CE1-CG2 3.62Å; F82-V260 HydrophobicContact CZ-CG2 3.58Å; L86-V260 HydrophobicContact CD2-CB 4.2Å; L86-V260 HydrophobicContact CD2-CG1 4.19Å; L86-V260 HydrophobicContact CD2-CG2 3.77Å; P239-V260 HydrophobicContact CB-CB 4.24Å; P239-V260 HydrophobicContact CB-CG2 3.55Å; P239-V260 HydrophobicContact CG-CB 3.96Å; P239-V260 HydrophobicContact CG-CG1 4.17Å; P239-V260 HydrophobicContact CG-CG2 3.83Å; L242-V260 HydrophobicContact CD1-CG2 4.5Å; L256-V260 WeakPolarHBondContact O-CG2 3.29Å; L256-V260 PolarHBondContact O-N 3.28Å; K257-V260 PolarHBondContact O-N 2.96Å; K257-V260 VanDerWaalsContact O-N 3.1Å; V260-T262 PolarHBondContact O-N 3.49Å; V260-V263 PolarHBondContact O-N 3.26Å; V260-V263 VanDerWaalsContact O-N 3.16Å; V260-V264 HydrophobicContact CG1-CG2 3.93Å; V260-V264 WeakPolarHBondContact O-CB 3.47Å; V260-V264 VanDerWaalsContact O-CG2 3.23Å; V260-V264 WeakPolarHBondContact O-CG2 3.45Å; V260-V264 PolarHBondContact O-N 3.35Å
261D88.9Confident91.2Very high62 Ų6255.1 Ų55.133%0.33230%0.303SS..Hα-helixtrans-55.8-43.4-179.2-63.1-19.3000110.8K257 E265K257-D261 VanDerWaalsContact O-CG 3.26Å; K257-D261 PolarHBondContact O-N 3Å; D261-E265 WeakPolarHBondContact O-CB 3.2Å; D261-E265 PolarHBondContact O-N 3.2Å
262T92.3Very high91.3Very high65 Ų6555 Ų5540%0.39931%0.305SS..Hα-helixtrans-64.3-48177.7-55.10000112.1T258 T259 V260 V264 E265 Q266T258-T262 WeakPolarHBondContact O-CB 3.42Å; T258-T262 PolarHBondContact O-N 3.38Å; T258-T262 PolarHBondContact O-OG1 3.19Å; T259-T262 PolarHBondContact O-N 2.69Å; V260-T262 PolarHBondContact O-N 3.49Å; T262-V264 VanDerWaalsContact C-N 3.34Å; T262-E265 PolarHBondContact O-N 2.89Å; T262-Q266 VanDerWaalsContact O-CG 3.29Å; T262-Q266 WeakPolarHBondContact O-CG 3.39Å; T262-Q266 PolarHBondContact O-N 3.16Å
263V94.2Very high91.5Very high5 Ų552.4 Ų52.43%0.0329%0.288CS..Hα-helixtrans-66.8-39.1-178.6172.60000110.9A83 L86 E87 L90 T259 V260 Q266 C267A83-V263 HydrophobicContact CB-CG2 3.74Å; L86-V263 HydrophobicContact CB-CG1 4.15Å; L86-V263 HydrophobicContact CD2-CB 4.05Å; L86-V263 HydrophobicContact CD2-CG1 3.98Å; L86-V263 HydrophobicContact CG-CB 4.48Å; L86-V263 HydrophobicContact CG-CG1 3.85Å; E87-V263 HydrophobicContact CB-CG1 3.9Å; L90-V263 HydrophobicContact CD1-CG1 4.14Å; T259-V263 HydrophobicContact CG2-CG2 4.42Å; T259-V263 VanDerWaalsContact O-CG2 3.28Å; T259-V263 WeakPolarHBondContact O-CG2 3.35Å; T259-V263 PolarHBondContact O-N 3.3Å; V260-V263 PolarHBondContact O-N 3.26Å; V260-V263 VanDerWaalsContact O-N 3.16Å; V263-Q266 PolarHBondContact O-N 3.07Å; V263-C267 WeakPolarHBondContact O-CB 3.39Å; V263-C267 PolarHBondContact O-N 3.5Å; V263-C267 PolarHBondContact O-SG 3.33Å
264V91.2Very high91.6Very high3 Ų349.5 Ų49.52%0.01827%0.265CS..Hα-helixtrans-64.4-47.7176.2174.80000110.2L90 I235 V260 T262 Q266 C267 V268 H285L90-V264 HydrophobicContact CD1-CB 4.49Å; L90-V264 HydrophobicContact CD1-CG2 3.75Å; I235-V264 HydrophobicContact CG2-CB 4.38Å; I235-V264 HydrophobicContact CG2-CG1 3.51Å; I235-V264 HydrophobicContact CG2-CG2 3.84Å; V260-V264 HydrophobicContact CG1-CG2 3.93Å; V260-V264 WeakPolarHBondContact O-CB 3.47Å; V260-V264 VanDerWaalsContact O-CG2 3.23Å; V260-V264 WeakPolarHBondContact O-CG2 3.45Å; V260-V264 PolarHBondContact O-N 3.35Å; T262-V264 VanDerWaalsContact C-N 3.34Å; V264-Q266 VanDerWaalsContact C-N 3.3Å; V264-Q266 PolarHBondContact O-N 2.9Å; V264-C267 PolarHBondContact O-N 3.14Å; V264-V268 HydrophobicContact CG1-CG2 4.05Å; V264-V268 WeakPolarHBondContact O-CB 3.45Å; V264-V268 VanDerWaalsContact O-CG2 3.24Å; V264-V268 WeakPolarHBondContact O-CG2 3.33Å; V264-V268 PolarHBondContact O-N 2.85Å; V264-H285 HydrophobicContact CG1-CB 3.83Å; V264-H285 VanDerWaalsContact CG1-CG 3.45Å
265E91.3Very high91.7Very high83 Ų8344.9 Ų44.939%0.38824%0.237SC..Hα-helixtrans-57.1-43.8175.6-178.3176.1-174.300111.5D261 T262 V268 S269 T287D261-E265 WeakPolarHBondContact O-CB 3.2Å; D261-E265 PolarHBondContact O-N 3.2Å; T262-E265 PolarHBondContact O-N 2.89Å; E265-V268 PolarHBondContact O-N 3.47Å; E265-S269 VanDerWaalsContact O-CB 3.25Å; E265-S269 WeakPolarHBondContact O-CB 3.49Å; E265-S269 PolarHBondContact O-N 2.96Å; E265-S269 PolarHBondContact O-OG 3.27Å; E265-S269 VanDerWaalsContact O-OG 3.12Å; E265-T287 PolarHBondContact OE1-OG1 2.79Å
266Q93.7Very high91.7Very high108 Ų10843.3 Ų43.351%0.50523%0.226SC..Hα-helixtrans-60.5-46.9175.8-74.2174.4-28.200112.2T262 V263 V264 S269 F270T262-Q266 VanDerWaalsContact O-CG 3.29Å; T262-Q266 WeakPolarHBondContact O-CG 3.39Å; T262-Q266 PolarHBondContact O-N 3.16Å; V263-Q266 PolarHBondContact O-N 3.07Å; V264-Q266 VanDerWaalsContact C-N 3.3Å; V264-Q266 PolarHBondContact O-N 2.9Å; Q266-S269 PolarHBondContact O-N 3.47Å; Q266-F270 VanDerWaalsContact O-CB 3.27Å; Q266-F270 WeakPolarHBondContact O-CB 3.42Å; Q266-F270 PolarHBondContact O-N 3.33Å
267C93.6Very high91.6Very high1 Ų148 Ų481%0.00726%0.255CS..Hα-helixtrans-65.4-43.6179.4-66.40000111.8L90 L91 L231 V263 V264 F270 V271L90-C267 HydrophobicContact CB-CB 4.27Å; L90-C267 HydrophobicContact CD1-CB 4.28Å; L91-C267 HydrophobicContact CD2-CB 3.98Å; L91-C267 HydrophobicContact CG-CB 4.48Å; L231-C267 HydrophobicContact CD1-CB 3.92Å; V263-C267 WeakPolarHBondContact O-CB 3.39Å; V263-C267 PolarHBondContact O-N 3.5Å; V263-C267 PolarHBondContact O-SG 3.33Å; V264-C267 PolarHBondContact O-N 3.14Å; C267-F270 PolarHBondContact O-N 2.83Å; C267-V271 WeakPolarHBondContact O-CG2 3.39Å; C267-V271 PolarHBondContact O-N 3.12Å
268V91.7Very high91.5Very high0 Ų042.4 Ų42.40%023%0.232CC..Hα-helixtrans-63.4-44.4178.3169.40000110.7L231 V264 E265 F270 G272 V273 L282 H285 V286L231-V268 HydrophobicContact CD1-CG2 4.25Å; L231-V268 HydrophobicContact CD2-CG2 4.07Å; L231-V268 HydrophobicContact CG-CG2 4.46Å; V264-V268 HydrophobicContact CG1-CG2 4.05Å; V264-V268 WeakPolarHBondContact O-CB 3.45Å; V264-V268 VanDerWaalsContact O-CG2 3.24Å; V264-V268 WeakPolarHBondContact O-CG2 3.33Å; V264-V268 PolarHBondContact O-N 2.85Å; E265-V268 PolarHBondContact O-N 3.47Å; V268-F270 VanDerWaalsContact C-N 3.34Å; V268-F270 PolarHBondContact O-N 3.42Å; V268-G272 VanDerWaalsContact O-CA 3.3Å; V268-G272 WeakPolarHBondContact O-CA 3.21Å; V268-G272 PolarHBondContact O-N 3.49Å; V268-V273 HydrophobicContact CG1-CG1 3.71Å; V268-L282 HydrophobicContact CG2-CD1 3.71Å; V268-H285 HydrophobicContact CB-CB 4.43Å; V268-H285 HydrophobicContact CG1-CB 4.5Å; V268-H285 HydrophobicContact CG2-CB 3.98Å; V268-V286 HydrophobicContact CG1-CG2 3.79Å
269S90.1Very high91.3Very high23 Ų2340.2 Ų40.216%0.16122%0.22CC..Hα-helixtrans-67.6-33.8176.5-70.20000112.5E265 Q266 T287 F330E265-S269 VanDerWaalsContact O-CB 3.25Å; E265-S269 WeakPolarHBondContact O-CB 3.49Å; E265-S269 PolarHBondContact O-N 2.96Å; E265-S269 PolarHBondContact O-OG 3.27Å; E265-S269 VanDerWaalsContact O-OG 3.12Å; Q266-S269 PolarHBondContact O-N 3.47Å; S269-T287 PolarHBondContact OG-OG1 2.97Å; S269-F330 VanDerWaalsContact O-CD1 3.24Å; S269-F330 WeakPolarHBondContact O-CD1 3.43Å
270F91.6Very high91.2Very high158 Ų15841 Ų4169%0.69323%0.225SC*.Hα-helixtrans-69.3-47.5176.2-179.9-103000112.6L91 Q266 C267 V268L91-F270 HydrophobicContact CD1-CD1 4.36Å; L91-F270 HydrophobicContact CD2-CD1 4.03Å; Q266-F270 VanDerWaalsContact O-CB 3.27Å; Q266-F270 WeakPolarHBondContact O-CB 3.42Å; Q266-F270 PolarHBondContact O-N 3.33Å; C267-F270 PolarHBondContact O-N 2.83Å; V268-F270 VanDerWaalsContact C-N 3.34Å; V268-F270 PolarHBondContact O-N 3.42Å
271V89.7Confident91Very high79 Ų7943.2 Ų43.248%0.47924%0.237SC..Hα-helixtrans-76.8-37.1-177.9178.60000111.4L91 L231 C267L91-V271 HydrophobicContact CD2-CG2 3.63Å; L231-V271 HydrophobicContact CD2-CB 4.48Å; L231-V271 HydrophobicContact CD2-CG2 4.49Å; C267-V271 WeakPolarHBondContact O-CG2 3.39Å; C267-V271 PolarHBondContact O-N 3.12Å
272G91.6Very high91Very high10 Ų1040.8 Ų40.810%0.10322%0.223CC..  trans75.7166.6-16500000112.4V268 F330V268-G272 VanDerWaalsContact O-CA 3.3Å; V268-G272 WeakPolarHBondContact O-CA 3.21Å; V268-G272 PolarHBondContact O-N 3.49Å; G272-F330 CarbonylContact C-O 3.57Å; G272-F330 WeakPolarHBondContact CA-O 3.31Å
273V92.6Very high91Very high4 Ų437.7 Ų37.72%0.02420%0.204CC..EExtended strand (participates in β ladder)trans-129.1137.2-178-58.70000111.1V268 V275 C278 L282 L283 V286 F330 V331 R332V268-V273 HydrophobicContact CG1-CG1 3.71Å; V273-V275 PolarHBondContact O-N 3.36Å; V273-C278 HydrophobicContact CB-CB 4.33Å; V273-L282 HydrophobicContact CB-CD2 4.35Å; V273-L282 HydrophobicContact CG1-CD2 3.72Å; V273-L282 HydrophobicContact CG1-CG 3.84Å; V273-L283 HydrophobicContact CG2-CD2 4.12Å; V273-V286 HydrophobicContact CB-CG2 4.47Å; V273-V286 HydrophobicContact CG1-CG2 4.08Å; V273-V286 HydrophobicContact CG2-CG2 3.52Å; V273-F330 PolarHBondContact N-O 3.27Å; V273-V331 HydrophobicContact CG2-CG2 4.3Å; V273-V331 CarbonylContact O-C 3.53Å; V273-R332 PolarHBondContact O-N 3.06Å
274D92.3Very high91Very high34 Ų3440.1 Ų40.118%0.18222%0.216CC..EExtended strand (participates in β ladder)trans-78.3108.4170.1176.7-0.3000109.7N276 T277 C278 R332 H334D274-N276 PolarHBondContact O-N 3.1Å; D274-N276 VanDerWaalsContact O-N 3.1Å; D274-N276 WeakPolarHBondContact OD1-CB 3.4Å; D274-N276 PolarHBondContact OD1-N 3.06Å; D274-T277 VanDerWaalsContact CB-OG1 3.32Å; D274-T277 WeakPolarHBondContact CB-OG1 3.37Å; D274-T277 PolarHBondContact O-N 3.08Å; D274-T277 VanDerWaalsContact O-N 3.1Å; D274-T277 PolarHBondContact OD2-OG1 3.26Å; D274-C278 WeakPolarHBondContact O-CB 3.43Å; D274-C278 PolarHBondContact O-N 3.23Å; D274-C278 PolarHBondContact O-SG 3.38Å; D274-R332 WeakPolarHBondContact CA-O 3.06Å; D274-H334 IonicContact OD2-CD2 3.73Å
275V94.4Very high91Very high0 Ų041.6 Ų41.60%022%0.222CC..THydrogen-bonded Turntrans-63.3-19.4-175.266.40000113.6V273 V297 R301 F307 L313 V331 R332 I333V273-V275 PolarHBondContact O-N 3.36Å; V275-V297 HydrophobicContact CG2-CG1 3.44Å; V275-V297 VanDerWaalsContact CG2-CG1 3.44Å; V275-R301 WeakPolarHBondContact O-CD 3.5Å; V275-R301 PolarHBondContact O-NH1 2.92Å; V275-F307 HydrophobicContact CB-CD2 4.44Å; V275-F307 HydrophobicContact CG1-CB 4.03Å; V275-F307 HydrophobicContact CG1-CD2 3.87Å; V275-F307 HydrophobicContact CG1-CG 4.14Å; V275-F307 HydrophobicContact CG2-CD2 3.8Å; V275-F307 HydrophobicContact CG2-CE2 3.78Å; V275-L313 HydrophobicContact CG2-CD2 4.22Å; V275-V331 HydrophobicContact CB-CG1 3.5Å; V275-V331 VanDerWaalsContact CB-CG1 3.5Å; V275-V331 HydrophobicContact CG1-CG1 3.63Å; V275-V331 HydrophobicContact CG2-CG1 4.25Å; V275-R332 PolarHBondContact N-O 2.91Å; V275-I333 HydrophobicContact CG1-CD1 4.22Å; V275-I333 HydrophobicContact CG1-CG1 3.59Å
276N92.3Very high91.1Very high25 Ų2537.7 Ų37.713%0.13420%0.204CC..THydrogen-bonded Turntrans-83.5-20.8179.2-71.5-34000113D274 R301 P306 F307D274-N276 PolarHBondContact O-N 3.1Å; D274-N276 VanDerWaalsContact O-N 3.1Å; D274-N276 WeakPolarHBondContact OD1-CB 3.4Å; D274-N276 PolarHBondContact OD1-N 3.06Å; N276-R301 PolarHBondContact O-NH1 3.14Å; N276-P306 HydrophobicContact CB-CB 4.41Å; N276-P306 WeakPolarHBondContact OD1-CA 3.23Å; N276-F307 PolarHBondContact ND2-O 3.04Å; N276-F307 WeakPolarHBondContact OD1-CB 3.45Å; N276-F307 WeakPolarHBondContact OD1-CD2 3.39Å; N276-F307 PolarHBondContact OD1-N 3.1Å
277T87.2Confident91Very high105 Ų10533.8 Ų33.864%0.64419%0.187SC*.THydrogen-bonded Turntrans-121.2-26-172.856.30000114.1D274D274-T277 VanDerWaalsContact CB-OG1 3.32Å; D274-T277 WeakPolarHBondContact CB-OG1 3.37Å; D274-T277 PolarHBondContact O-N 3.08Å; D274-T277 VanDerWaalsContact O-N 3.1Å; D274-T277 PolarHBondContact OD2-OG1 3.26Å
278C88.1Confident90.9Very high9 Ų935.3 Ų35.36%0.06120%0.204CC..  trans-63.7151.9-17759.80000113.9V273 D274 L282 L283 R301V273-C278 HydrophobicContact CB-CB 4.33Å; D274-C278 WeakPolarHBondContact O-CB 3.43Å; D274-C278 PolarHBondContact O-N 3.23Å; D274-C278 PolarHBondContact O-SG 3.38Å; C278-L282 HydrophobicContact CB-CB 4.44Å; C278-L282 HydrophobicContact CB-CD2 3.93Å; C278-L283 HydrophobicContact CB-CG 4.46Å; C278-L283 WeakPolarHBondContact SG-CD2 3.39Å; C278-L283 WeakPolarHBondContact SG-CG 3.45Å; C278-R301 VanDerWaalsContact O-CZ 3.25Å; C278-R301 PolarHBondContact O-NH1 3.14Å; C278-R301 PolarHBondContact O-NH2 3.25Å
279S88Confident91Very high41 Ų4136.3 Ų36.329%0.28721%0.209SC..  trans-77166.5175.866.40000112.1D281 L282 L283S279-D281 VanDerWaalsContact C-N 3.25Å; S279-D281 PolarHBondContact O-N 3.44Å; S279-L282 PolarHBondContact O-N 2.87Å; S279-L282 PolarHBondContact OG-N 2.79Å; S279-L283 WeakPolarHBondContact O-CB 3.31Å; S279-L283 WeakPolarHBondContact O-CG 3.41Å; S279-L283 PolarHBondContact O-N 3.5Å
280V90Very high91.2Very high37 Ų3739.2 Ų39.222%0.22422%0.223CC..Hα-helixtrans-58.7-41.3170.9176.90000110.6L282 L283 E284 A294 C298V280-L282 VanDerWaalsContact C-N 3.31Å; V280-L282 PolarHBondContact O-N 3.47Å; V280-L283 PolarHBondContact O-N 2.88Å; V280-E284 PolarHBondContact O-N 2.91Å; V280-A294 HydrophobicContact CG1-CB 3.98Å; V280-C298 HydrophobicContact CG2-CB 3.94Å; V280-C298 VanDerWaalsContact CG2-SG 3.58Å
281D86.6Confident91.2Very high56 Ų5638.3 Ų38.330%0.29922%0.218SC..Hα-helixtrans-62.3-36.5-179.4-50.4-79.7000112.2I235 S279 E284 H285I235-D281 HydrophobicContact CD1-CB 4.14Å; S279-D281 VanDerWaalsContact C-N 3.25Å; S279-D281 PolarHBondContact O-N 3.44Å; D281-E284 VanDerWaalsContact O-CG 3.25Å; D281-E284 WeakPolarHBondContact O-CG 3.22Å; D281-H285 PolarHBondContact O-CD2 2.94Å
282L89.4Confident91.5Very high10 Ų1042.6 Ų42.65%0.05223%0.231CC..Hα-helixtrans-76-38.9175.5-168.868.4000111.6L231 I235 V268 V273 C278 S279 V280 E284 H285L231-L282 HydrophobicContact CD2-CD1 4.1Å; L231-L282 HydrophobicContact CG-CD1 3.95Å; I235-L282 HydrophobicContact CD1-CB 4.02Å; I235-L282 HydrophobicContact CD1-CD1 3.79Å; V268-L282 HydrophobicContact CG2-CD1 3.71Å; V273-L282 HydrophobicContact CB-CD2 4.35Å; V273-L282 HydrophobicContact CG1-CD2 3.72Å; V273-L282 HydrophobicContact CG1-CG 3.84Å; C278-L282 HydrophobicContact CB-CB 4.44Å; C278-L282 HydrophobicContact CB-CD2 3.93Å; S279-L282 PolarHBondContact O-N 2.87Å; S279-L282 PolarHBondContact OG-N 2.79Å; V280-L282 VanDerWaalsContact C-N 3.31Å; V280-L282 PolarHBondContact O-N 3.47Å; L282-E284 VanDerWaalsContact C-N 3.33Å; L282-E284 PolarHBondContact O-N 3.36Å; L282-H285 PolarHBondContact O-N 3.46Å
283L92.7Very high91.7Very high0 Ų042.7 Ų42.70%023%0.229CC..Hα-helixtrans-64.2-34.6179.8-82.3169000113.3V273 C278 S279 V280 H285 V286 L289 A294 V297 C298V273-L283 HydrophobicContact CG2-CD2 4.12Å; C278-L283 HydrophobicContact CB-CG 4.46Å; C278-L283 WeakPolarHBondContact SG-CD2 3.39Å; C278-L283 WeakPolarHBondContact SG-CG 3.45Å; S279-L283 WeakPolarHBondContact O-CB 3.31Å; S279-L283 WeakPolarHBondContact O-CG 3.41Å; S279-L283 PolarHBondContact O-N 3.5Å; V280-L283 PolarHBondContact O-N 2.88Å; L283-H285 PolarHBondContact O-N 3.25Å; L283-V286 HydrophobicContact CD2-CG2 4.39Å; L283-V286 WeakPolarHBondContact O-CB 3.31Å; L283-V286 PolarHBondContact O-N 3.37Å; L283-V286 VanDerWaalsContact O-N 3.08Å; L283-L289 HydrophobicContact CD2-CD1 4.1Å; L283-L289 WeakPolarHBondContact O-CB 3.09Å; L283-A294 HydrophobicContact CB-CB 3.59Å; L283-V297 HydrophobicContact CD1-CB 4.33Å; L283-V297 HydrophobicContact CD1-CG1 3.95Å; L283-C298 VanDerWaalsContact CD1-SG 3.59Å
284E92.3Very high91.9Very high57 Ų5742.5 Ų42.527%0.26623%0.228SC..THydrogen-bonded Turntrans-67.1-16.3179.866.2172-152.800113.6V280 D281 L282 K291 A294V280-E284 PolarHBondContact O-N 2.91Å; D281-E284 VanDerWaalsContact O-CG 3.25Å; D281-E284 WeakPolarHBondContact O-CG 3.22Å; L282-E284 VanDerWaalsContact C-N 3.33Å; L282-E284 PolarHBondContact O-N 3.36Å; E284-K291 VanDerWaalsContact OE2-CB 3.28Å; E284-K291 WeakPolarHBondContact OE2-CB 3.4Å; E284-K291 WeakPolarHBondContact OE2-CG 3.42Å; E284-A294 HydrophobicContact CB-CB 4.09Å
285H91.6Very high92.1Very high34 Ų3443.1 Ų43.116%0.15723%0.233CC..THydrogen-bonded Turntrans-92.50174.5-66.3-63.9000113.8V264 V268 D281 L282 L283V264-H285 HydrophobicContact CG1-CB 3.83Å; V264-H285 VanDerWaalsContact CG1-CG 3.45Å; V268-H285 HydrophobicContact CB-CB 4.43Å; V268-H285 HydrophobicContact CG1-CB 4.5Å; V268-H285 HydrophobicContact CG2-CB 3.98Å; D281-H285 PolarHBondContact O-CD2 2.94Å; L282-H285 PolarHBondContact O-N 3.46Å; L283-H285 PolarHBondContact O-N 3.25Å
286V93.5Very high92.2Very high1 Ų143.8 Ų43.81%0.00624%0.239CC..SBendtrans-75.2129172.2178.10000109.1V268 V273 L283 G288 L289 C327 F330V268-V286 HydrophobicContact CG1-CG2 3.79Å; V273-V286 HydrophobicContact CB-CG2 4.47Å; V273-V286 HydrophobicContact CG1-CG2 4.08Å; V273-V286 HydrophobicContact CG2-CG2 3.52Å; L283-V286 HydrophobicContact CD2-CG2 4.39Å; L283-V286 WeakPolarHBondContact O-CB 3.31Å; L283-V286 PolarHBondContact O-N 3.37Å; L283-V286 VanDerWaalsContact O-N 3.08Å; V286-G288 PolarHBondContact O-N 2.89Å; V286-L289 HydrophobicContact CB-CB 4.4Å; V286-L289 HydrophobicContact CB-CD1 3.95Å; V286-L289 HydrophobicContact CB-CG 4.15Å; V286-L289 HydrophobicContact CG1-CD1 4.25Å; V286-L289 HydrophobicContact CG1-CG 4.32Å; V286-L289 HydrophobicContact CG2-CD1 4.49Å; V286-L289 WeakPolarHBondContact O-CB 3.41Å; V286-L289 PolarHBondContact O-N 3.17Å; V286-C327 HydrophobicContact CG1-CB 3.89Å; V286-F330 HydrophobicContact CG1-CB 3.99Å
287T92Very high92.4Very high25 Ų2542.6 Ų42.615%0.15323%0.232CC..THydrogen-bonded Turntrans-52127.2177.7-59.10000111.3E265 S269 M326 C327 F330E265-T287 PolarHBondContact OE1-OG1 2.79Å; S269-T287 PolarHBondContact OG-OG1 2.97Å; T287-M326 HydrophobicContact CG2-CE 3.62Å; T287-M326 CarbonylContact O-C 3.57Å; T287-C327 VanDerWaalsContact O-CA 3.23Å; T287-C327 WeakPolarHBondContact O-CA 3.46Å; T287-C327 VanDerWaalsContact O-CB 3.31Å; T287-C327 WeakPolarHBondContact O-CB 3.43Å; T287-C327 PolarHBondContact O-N 3.26Å; T287-F330 HydrophobicContact CG2-CE2 4.4Å
288G91.9Very high92.7Very high34 Ų3438 Ų3835%0.35121%0.205SC..THydrogen-bonded Turntrans90.9-8.7-176.600000115.2V286 A323V286-G288 PolarHBondContact O-N 2.89Å; G288-A323 WeakPolarHBondContact O-CB 3.4Å
289L94.3Very high93.1Very high20 Ų2043 Ų4311%0.10523%0.227CC..  trans-103.5162.8172.5-56.2-170.9000111.3L283 V286 T293 L319 C327L283-L289 HydrophobicContact CD2-CD1 4.1Å; L283-L289 WeakPolarHBondContact O-CB 3.09Å; V286-L289 HydrophobicContact CB-CB 4.4Å; V286-L289 HydrophobicContact CB-CD1 3.95Å; V286-L289 HydrophobicContact CB-CG 4.15Å; V286-L289 HydrophobicContact CG1-CD1 4.25Å; V286-L289 HydrophobicContact CG1-CG 4.32Å; V286-L289 HydrophobicContact CG2-CD1 4.49Å; V286-L289 WeakPolarHBondContact O-CB 3.41Å; V286-L289 PolarHBondContact O-N 3.17Å; L289-T293 WeakPolarHBondContact CA-OG1 3.42Å; L289-L319 HydrophobicContact CD2-CD1 3.89Å; L289-C327 HydrophobicContact CD2-CB 4.04Å; L289-C327 HydrophobicContact CG-CB 3.99Å
290N92.9Very high93.4Very high85 Ų8542.7 Ų42.746%0.45522%0.221SC..  trans-142177.6168.660.454.3000108.6K292 T293 A294N290-K292 VanDerWaalsContact C-N 3.26Å; N290-K292 PolarHBondContact O-N 3.24Å; N290-K292 VanDerWaalsContact O-N 3.14Å; N290-K292 WeakPolarHBondContact OD1-CA 3.47Å; N290-K292 WeakPolarHBondContact OD1-CB 3.45Å; N290-K292 PolarHBondContact OD1-N 3.25Å; N290-T293 PolarHBondContact N-OG1 2.88Å; N290-T293 PolarHBondContact O-N 3.4Å; N290-T293 VanDerWaalsContact O-N 3.15Å; N290-T293 PolarHBondContact O-OG1 3.43Å; N290-T293 VanDerWaalsContact O-OG1 3.05Å; N290-T293 PolarHBondContact OD1-N 3.31Å; N290-T293 VanDerWaalsContact OD1-N 3.09Å; N290-A294 VanDerWaalsContact O-CB 3.23Å; N290-A294 WeakPolarHBondContact O-CB 3.44Å; N290-A294 PolarHBondContact O-N 2.9Å
291K92.8Very high93.6Very high138 Ų13843 Ų4360%0.622%0.218SC*.Hα-helixtrans-48.1-45179.1-169.5164.3-173.8162.60114.1E284 T295E284-K291 VanDerWaalsContact OE2-CB 3.28Å; E284-K291 WeakPolarHBondContact OE2-CB 3.4Å; E284-K291 WeakPolarHBondContact OE2-CG 3.42Å; K291-T295 PolarHBondContact O-N 2.89Å; K291-T295 PolarHBondContact O-OG1 2.77Å
292K96Very high93.8Very high170 Ų17047.8 Ų47.874%0.73924%0.238SC*.Hα-helixtrans-67.2-45.9-177.9-175.1-177.8178.7-178.80111.8N290 A296N290-K292 VanDerWaalsContact C-N 3.26Å; N290-K292 PolarHBondContact O-N 3.24Å; N290-K292 VanDerWaalsContact O-N 3.14Å; N290-K292 WeakPolarHBondContact OD1-CA 3.47Å; N290-K292 WeakPolarHBondContact OD1-CB 3.45Å; N290-K292 PolarHBondContact OD1-N 3.25Å; K292-A296 PolarHBondContact O-N 3.05Å; K292-A296 VanDerWaalsContact O-N 3.1Å
293T96.1Very high94Very high11 Ų1155.8 Ų55.87%0.06727%0.273CS..Hα-helixtrans-71.8-35.3178.656.10000111.6L289 N290 A296 V297L289-T293 WeakPolarHBondContact CA-OG1 3.42Å; N290-T293 PolarHBondContact N-OG1 2.88Å; N290-T293 PolarHBondContact O-N 3.4Å; N290-T293 VanDerWaalsContact O-N 3.15Å; N290-T293 PolarHBondContact O-OG1 3.43Å; N290-T293 VanDerWaalsContact O-OG1 3.05Å; N290-T293 PolarHBondContact OD1-N 3.31Å; N290-T293 VanDerWaalsContact OD1-N 3.09Å; T293-A296 PolarHBondContact O-N 3.27Å; T293-V297 VanDerWaalsContact O-CG2 3.31Å; T293-V297 WeakPolarHBondContact O-CG2 3.39Å; T293-V297 PolarHBondContact O-N 3.43Å
294A95.4Very high93.9Very high0 Ų060.1 Ų60.10%030%0.295CS..Hα-helixtrans-61-46.7174.200000111.6V280 L283 E284 N290 A296 V297 C298V280-A294 HydrophobicContact CG1-CB 3.98Å; L283-A294 HydrophobicContact CB-CB 3.59Å; E284-A294 HydrophobicContact CB-CB 4.09Å; N290-A294 VanDerWaalsContact O-CB 3.23Å; N290-A294 WeakPolarHBondContact O-CB 3.44Å; N290-A294 PolarHBondContact O-N 2.9Å; A294-A296 VanDerWaalsContact C-N 3.34Å; A294-A296 PolarHBondContact O-N 2.89Å; A294-V297 PolarHBondContact O-N 3.35Å; A294-C298 PolarHBondContact O-N 2.97Å; A294-C298 VanDerWaalsContact O-N 3.14Å
295T96.1Very high93.8Very high47 Ų4758.5 Ų58.529%0.28830%0.295SS..Hα-helixtrans-58.1-46.6172.2-590000111.2K291 V297 C298 E299K291-T295 PolarHBondContact O-N 2.89Å; K291-T295 PolarHBondContact O-OG1 2.77Å; T295-V297 VanDerWaalsContact C-N 3.31Å; T295-V297 PolarHBondContact O-N 3.44Å; T295-C298 PolarHBondContact O-N 2.9Å; T295-C298 VanDerWaalsContact O-N 3.17Å; T295-E299 HydrophobicContact CG2-CG 4.28Å; T295-E299 WeakPolarHBondContact CG2-OE1 3.38Å; T295-E299 WeakPolarHBondContact O-CG 3.48Å; T295-E299 PolarHBondContact O-N 2.99Å
296A96.7Very high93.8Very high15 Ų1559.2 Ų59.212%0.12430%0.302CS..Hα-helixtrans-62.5-35.1-18000000113.2K292 T293 A294 F300 V316K292-A296 PolarHBondContact O-N 3.05Å; K292-A296 VanDerWaalsContact O-N 3.1Å; T293-A296 PolarHBondContact O-N 3.27Å; A294-A296 VanDerWaalsContact C-N 3.34Å; A294-A296 PolarHBondContact O-N 2.89Å; A296-F300 VanDerWaalsContact O-CB 3.32Å; A296-F300 WeakPolarHBondContact O-CB 3.38Å; A296-F300 PolarHBondContact O-N 3.34Å; A296-V316 HydrophobicContact CB-CG1 3.75Å
297V96.6Very high93.9Very high0 Ų059.2 Ų59.20%030%0.302CS..Hα-helixtrans-64.2-46.2174168.60000110.6V275 L283 T293 A294 T295 F300 R301 F307 L313 V316 L319V275-V297 HydrophobicContact CG2-CG1 3.44Å; V275-V297 VanDerWaalsContact CG2-CG1 3.44Å; L283-V297 HydrophobicContact CD1-CB 4.33Å; L283-V297 HydrophobicContact CD1-CG1 3.95Å; T293-V297 VanDerWaalsContact O-CG2 3.31Å; T293-V297 WeakPolarHBondContact O-CG2 3.39Å; T293-V297 PolarHBondContact O-N 3.43Å; A294-V297 PolarHBondContact O-N 3.35Å; T295-V297 VanDerWaalsContact C-N 3.31Å; T295-V297 PolarHBondContact O-N 3.44Å; V297-F300 WeakPolarHBondContact O-CB 3.28Å; V297-F300 PolarHBondContact O-N 2.93Å; V297-R301 PolarHBondContact O-N 3.35Å; V297-R301 VanDerWaalsContact O-N 3.1Å; V297-F307 HydrophobicContact CG1-CE2 3.83Å; V297-F307 HydrophobicContact CG1-CZ 4.04Å; V297-L313 HydrophobicContact CG1-CD2 4.43Å; V297-L313 HydrophobicContact CG2-CD2 4.25Å; V297-V316 HydrophobicContact CG2-CG1 3.95Å; V297-V316 HydrophobicContact CG2-CG2 4.27Å; V297-L319 HydrophobicContact CG2-CD1 4.11Å
298C94.5Very high93.9Very high9 Ų958.1 Ų58.16%0.06130%0.295CS..Hα-helixtrans-63.2-44176.7-76.50000112.3V280 L283 A294 T295 F300 R301 Q302V280-C298 HydrophobicContact CG2-CB 3.94Å; V280-C298 VanDerWaalsContact CG2-SG 3.58Å; L283-C298 VanDerWaalsContact CD1-SG 3.59Å; A294-C298 PolarHBondContact O-N 2.97Å; A294-C298 VanDerWaalsContact O-N 3.14Å; T295-C298 PolarHBondContact O-N 2.9Å; T295-C298 VanDerWaalsContact O-N 3.17Å; C298-F300 VanDerWaalsContact C-N 3.31Å; C298-F300 PolarHBondContact O-N 3.18Å; C298-R301 WeakPolarHBondContact O-CG 3.43Å; C298-R301 PolarHBondContact O-N 3.16Å; C298-Q302 VanDerWaalsContact O-CG 3.32Å; C298-Q302 WeakPolarHBondContact O-CG 3.44Å; C298-Q302 PolarHBondContact O-N 2.73Å
299E95.5Very high94Very high114 Ų11456.8 Ų56.853%0.53328%0.28SS..Hα-helixtrans-61.3-40.5174.7-72.5174.3176.800111.4T295 Q302 K303T295-E299 HydrophobicContact CG2-CG 4.28Å; T295-E299 WeakPolarHBondContact CG2-OE1 3.38Å; T295-E299 WeakPolarHBondContact O-CG 3.48Å; T295-E299 PolarHBondContact O-N 2.99Å; E299-Q302 PolarHBondContact O-N 2.97Å; E299-K303 WeakPolarHBondContact O-CB 3.44Å; E299-K303 PolarHBondContact O-N 3.13Å
300F95.6Very high94Very high34 Ų3455.8 Ų55.815%0.14928%0.275CS..Hα-helixtrans-60.8-48177.8-176.7-81.7000111.5A296 V297 C298 Q302 K303 N304 F307 C315 V316A296-F300 VanDerWaalsContact O-CB 3.32Å; A296-F300 WeakPolarHBondContact O-CB 3.38Å; A296-F300 PolarHBondContact O-N 3.34Å; V297-F300 WeakPolarHBondContact O-CB 3.28Å; V297-F300 PolarHBondContact O-N 2.93Å; C298-F300 VanDerWaalsContact C-N 3.31Å; C298-F300 PolarHBondContact O-N 3.18Å; F300-Q302 VanDerWaalsContact C-N 3.34Å; F300-Q302 PolarHBondContact O-N 2.89Å; F300-K303 PolarHBondContact O-N 3.43Å; F300-N304 HydrophobicContact CD1-CB 4.39Å; F300-N304 WeakPolarHBondContact CD2-ND2 3.23Å; F300-N304 HydrophobicContact CE1-CB 4.04Å; F300-N304 HydrophobicContact CZ-CB 4.2Å; F300-N304 WeakPolarHBondContact O-CB 3.46Å; F300-N304 PolarHBondContact O-N 3.4Å; F300-N304 PolarHBondContact O-ND2 2.99Å; F300-F307 HydrophobicContact CB-CZ 4.16Å; F300-F307 HydrophobicContact CD1-CD1 4.2Å; F300-F307 AromaticContact CD1-CE1 3.37Å; F300-F307 HydrophobicContact CD1-CE1 3.37Å; F300-F307 HydrophobicContact CD1-CE2 4.1Å; F300-F307 AromaticContact CD1-CZ 3.31Å; F300-F307 HydrophobicContact CD1-CZ 3.31Å; F300-F307 HydrophobicContact CE1-CD1 4.07Å; F300-F307 AromaticContact CE1-CE1 3.54Å; F300-F307 HydrophobicContact CE1-CE1 3.54Å; F300-F307 AromaticContact CE1-CZ 3.99Å; F300-F307 HydrophobicContact CE1-CZ 3.99Å; F300-F307 HydrophobicContact CG-CE1 4.25Å; F300-F307 AromaticContact CG-CZ 3.99Å; F300-F307 HydrophobicContact CG-CZ 3.99Å; F300-C315 HydrophobicContact CE2-CB 3.7Å; F300-C315 HydrophobicContact CZ-CB 3.96Å; F300-V316 HydrophobicContact CB-CG2 3.99Å; F300-V316 HydrophobicContact CD1-CG2 4.37Å; F300-V316 HydrophobicContact CD2-CG2 4.07Å; F300-V316 HydrophobicContact CG-CG2 3.88Å
301R93.1Very high94.1Very high44 Ų4455.8 Ų55.817%0.16627%0.271CS..Hα-helixtrans-69.6-30.2179.467.8176-170.4-155.32.9113.3V275 N276 C278 V297 C298 G305 F307V275-R301 WeakPolarHBondContact O-CD 3.5Å; V275-R301 PolarHBondContact O-NH1 2.92Å; N276-R301 PolarHBondContact O-NH1 3.14Å; C278-R301 VanDerWaalsContact O-CZ 3.25Å; C278-R301 PolarHBondContact O-NH1 3.14Å; C278-R301 PolarHBondContact O-NH2 3.25Å; V297-R301 PolarHBondContact O-N 3.35Å; V297-R301 VanDerWaalsContact O-N 3.1Å; C298-R301 WeakPolarHBondContact O-CG 3.43Å; C298-R301 PolarHBondContact O-N 3.16Å; R301-G305 VanDerWaalsContact CA-O 3.27Å; R301-G305 WeakPolarHBondContact CA-O 3.48Å; R301-G305 CarbonylContact O-C 3.46Å; R301-G305 WeakPolarHBondContact O-CA 3.47Å; R301-G305 PolarHBondContact O-N 3.13Å; R301-G305 VanDerWaalsContact O-N 3.09Å; R301-G305 VanDerWaalsContact O-O 3.1Å; R301-F307 HydrophobicContact CB-CD2 4.03Å; R301-F307 HydrophobicContact CB-CE2 3.81Å
302Q91Very high94.2Very high155 Ų15550.2 Ų50.272%0.72425%0.248SC*.Hα-helixtrans-67.4-39.5174-75.6174-3.100111.4C298 E299 F300C298-Q302 VanDerWaalsContact O-CG 3.32Å; C298-Q302 WeakPolarHBondContact O-CG 3.44Å; C298-Q302 PolarHBondContact O-N 2.73Å; E299-Q302 PolarHBondContact O-N 2.97Å; F300-Q302 VanDerWaalsContact C-N 3.34Å; F300-Q302 PolarHBondContact O-N 2.89Å
303K93.1Very high94.1Very high179 Ų17942.2 Ų42.278%0.77821%0.213SC*.Hα-helixtrans-82.1-40.3-177.3-175.5176.6178.1-179.80113.9E299 F300E299-K303 WeakPolarHBondContact O-CB 3.44Å; E299-K303 PolarHBondContact O-N 3.13Å; F300-K303 PolarHBondContact O-N 3.43Å
304N90.9Very high94.1Very high90 Ų9046.2 Ų46.248%0.48123%0.229SC..Hα-helixtrans-105.40.6-171.4-54.6-81000113.2F300F300-N304 HydrophobicContact CD1-CB 4.39Å; F300-N304 WeakPolarHBondContact CD2-ND2 3.23Å; F300-N304 HydrophobicContact CE1-CB 4.04Å; F300-N304 HydrophobicContact CZ-CB 4.2Å; F300-N304 WeakPolarHBondContact O-CB 3.46Å; F300-N304 PolarHBondContact O-N 3.4Å; F300-N304 PolarHBondContact O-ND2 2.99Å
305G90.2Very high94Very high24 Ų2449.2 Ų49.225%0.24725%0.25CC..  trans81.1179.7-169.500000112.8R301R301-G305 VanDerWaalsContact CA-O 3.27Å; R301-G305 WeakPolarHBondContact CA-O 3.48Å; R301-G305 CarbonylContact O-C 3.46Å; R301-G305 WeakPolarHBondContact O-CA 3.47Å; R301-G305 PolarHBondContact O-N 3.13Å; R301-G305 VanDerWaalsContact O-N 3.09Å; R301-G305 VanDerWaalsContact O-O 3.1Å
306P92.2Very high94Very high48 Ų4847.2 Ų47.231%0.31224%0.237SC..SBendtrans-61.6147-17726.2-34.4000111.9N276 V308 N339N276-P306 HydrophobicContact CB-CB 4.41Å; N276-P306 WeakPolarHBondContact OD1-CA 3.23Å; P306-V308 PolarHBondContact O-N 3.14Å; P306-N339 PolarHBondContact O-ND2 3.37Å
307F94.5Very high93.8Very high1 Ų155.7 Ų55.70%0.00427%0.271CS..  trans-63.1127.8170.7-67.6-86.9000110V275 N276 V297 F300 R301 Q312 L313 V316 I333V275-F307 HydrophobicContact CB-CD2 4.44Å; V275-F307 HydrophobicContact CG1-CB 4.03Å; V275-F307 HydrophobicContact CG1-CD2 3.87Å; V275-F307 HydrophobicContact CG1-CG 4.14Å; V275-F307 HydrophobicContact CG2-CD2 3.8Å; V275-F307 HydrophobicContact CG2-CE2 3.78Å; N276-F307 PolarHBondContact ND2-O 3.04Å; N276-F307 WeakPolarHBondContact OD1-CB 3.45Å; N276-F307 WeakPolarHBondContact OD1-CD2 3.39Å; N276-F307 PolarHBondContact OD1-N 3.1Å; V297-F307 HydrophobicContact CG1-CE2 3.83Å; V297-F307 HydrophobicContact CG1-CZ 4.04Å; F300-F307 HydrophobicContact CB-CZ 4.16Å; F300-F307 HydrophobicContact CD1-CD1 4.2Å; F300-F307 AromaticContact CD1-CE1 3.37Å; F300-F307 HydrophobicContact CD1-CE1 3.37Å; F300-F307 HydrophobicContact CD1-CE2 4.1Å; F300-F307 AromaticContact CD1-CZ 3.31Å; F300-F307 HydrophobicContact CD1-CZ 3.31Å; F300-F307 HydrophobicContact CE1-CD1 4.07Å; F300-F307 AromaticContact CE1-CE1 3.54Å; F300-F307 HydrophobicContact CE1-CE1 3.54Å; F300-F307 AromaticContact CE1-CZ 3.99Å; F300-F307 HydrophobicContact CE1-CZ 3.99Å; F300-F307 HydrophobicContact CG-CE1 4.25Å; F300-F307 AromaticContact CG-CZ 3.99Å; F300-F307 HydrophobicContact CG-CZ 3.99Å; R301-F307 HydrophobicContact CB-CD2 4.03Å; R301-F307 HydrophobicContact CB-CE2 3.81Å; F307-Q312 HydrophobicContact CD1-CB 3.78Å; F307-Q312 HydrophobicContact CE1-CB 4.28Å; F307-L313 HydrophobicContact CD1-CD2 4.38Å; F307-L313 HydrophobicContact CE1-CD2 3.85Å; F307-L313 HydrophobicContact CE1-CG 4.39Å; F307-L313 HydrophobicContact CZ-CD2 3.95Å; F307-V316 HydrophobicContact CE1-CG2 3.98Å; F307-V316 HydrophobicContact CZ-CG2 3.85Å; F307-I333 HydrophobicContact CB-CD1 3.86Å; F307-I333 HydrophobicContact CB-CG1 4.38Å; F307-I333 VanDerWaalsContact O-CG2 3.29Å; F307-I333 WeakPolarHBondContact O-CG2 3.28Å
308V93.6Very high93.7Very high3 Ų358.7 Ų58.72%0.01830%0.302CS..SBendtrans-87.5-37.7177.6-175.10000110.9P306 Q337 N339 P346P306-V308 PolarHBondContact O-N 3.14Å; V308-Q337 HydrophobicContact CB-CB 4.32Å; V308-Q337 HydrophobicContact CG1-CB 4.33Å; V308-Q337 HydrophobicContact CG2-CB 3.94Å; V308-N339 HydrophobicContact CG2-CB 4.48Å; V308-P346 HydrophobicContact CG1-CB 4.38Å; V308-P346 HydrophobicContact CG1-CG 3.69Å
309C93.2Very high93.7Very high5 Ų559 Ų593%0.03430%0.303CS..SBendtrans-149.2161.8177.269.10000112.3F311 Q312 I333 R345 D350C309-F311 VanDerWaalsContact C-N 3.25Å; C309-F311 PolarHBondContact O-N 3.41Å; C309-Q312 PolarHBondContact O-N 3.39Å; C309-I333 VanDerWaalsContact CA-CD1 3.48Å; C309-R345 WeakPolarHBondContact CB-O 3.3Å; C309-D350 WeakPolarHBondContact CA-OD2 3.46Å; C309-D350 WeakPolarHBondContact CB-OD2 3.49Å
310R95.2Very high93.6Very high0 Ų056.6 Ų56.60%030%0.299CS..G310 helixtrans-59.6-35-177.2-75175178.8163.3-2.1112.9Q312 L313 F324 S328 V331 I333 D350 T352 I354 P356 Y359R310-Q312 PolarHBondContact O-N 3.4Å; R310-Q312 VanDerWaalsContact O-N 3.12Å; R310-L313 WeakPolarHBondContact O-CB 3.21Å; R310-L313 WeakPolarHBondContact O-CG 2.98Å; R310-L313 PolarHBondContact O-N 2.91Å; R310-F324 HydrophobicContact CB-CE2 4.47Å; R310-F324 VanDerWaalsContact O-CE2 3.29Å; R310-F324 WeakPolarHBondContact O-CE2 3.3Å; R310-S328 VanDerWaalsContact CD-O 3.25Å; R310-S328 WeakPolarHBondContact CD-O 3.37Å; R310-S328 PolarHBondContact NE-O 3.4Å; R310-V331 PolarHBondContact NE-O 3.47Å; R310-V331 PolarHBondContact NH2-O 2.91Å; R310-I333 HydrophobicContact CG-CD1 4.3Å; R310-D350 WeakPolarHBondContact CD-OD1 3.44Å; R310-D350 HydrophobicContact CG-CB 4.16Å; R310-D350 PolarHBondContact N-OD2 3.15Å; R310-D350 IonicContact NE-OD1 3.92Å; R310-D350 PolarHBondContact NH2-O 3.32Å; R310-T352 PolarHBondContact NH2-O 3.39Å; R310-I354 PolarHBondContact NH1-O 3.5Å; R310-P356 HydrophobicContact CB-CG 4.47Å; R310-Y359 PolarHBondContact NH1-OH 3.39Å
311F94.2Very high93.6Very high84 Ų8461.6 Ų61.637%0.36832%0.323SS..G310 helixtrans-62.3-22.4-177-66.9-75.3000113.7C309 L313 K314 F324 Y344 P356 Y359C309-F311 VanDerWaalsContact C-N 3.25Å; C309-F311 PolarHBondContact O-N 3.41Å; F311-L313 PolarHBondContact O-N 2.98Å; F311-K314 WeakPolarHBondContact O-CB 3.42Å; F311-K314 PolarHBondContact O-N 3.38Å; F311-K314 VanDerWaalsContact O-N 3.09Å; F311-F324 HydrophobicContact CD1-CE1 4.36Å; F311-F324 AromaticContact CD1-CZ 3.91Å; F311-F324 HydrophobicContact CD1-CZ 3.91Å; F311-F324 HydrophobicContact CE1-CE1 4.42Å; F311-F324 HydrophobicContact CE1-CZ 4.2Å; F311-Y344 HydrophobicContact CB-CD1 4.43Å; F311-Y344 HydrophobicContact CB-CE1 4.24Å; F311-P356 HydrophobicContact CE1-CB 4.38Å; F311-P356 HydrophobicContact CZ-CB 4Å; F311-Y359 HydrophobicContact CE2-CD2 4.29Å; F311-Y359 HydrophobicContact CE2-CE2 4.27Å
312Q93.7Very high93.7Very high22 Ų2265.8 Ų65.810%0.10334%0.344CS..G310 helixtrans-65-19.4172.7-73.8179.3-61.100113.2F307 C309 R310 K314 C315 Y344F307-Q312 HydrophobicContact CD1-CB 3.78Å; F307-Q312 HydrophobicContact CE1-CB 4.28Å; C309-Q312 PolarHBondContact O-N 3.39Å; R310-Q312 PolarHBondContact O-N 3.4Å; R310-Q312 VanDerWaalsContact O-N 3.12Å; Q312-K314 PolarHBondContact O-N 3.47Å; Q312-C315 VanDerWaalsContact O-CB 3.31Å; Q312-C315 WeakPolarHBondContact O-CB 3.4Å; Q312-C315 PolarHBondContact O-N 3.25Å; Q312-Y344 HydrophobicContact CB-CD1 4.46Å; Q312-Y344 HydrophobicContact CG-CD1 3.36Å; Q312-Y344 HydrophobicContact CG-CD2 3.75Å; Q312-Y344 HydrophobicContact CG-CE1 3.74Å; Q312-Y344 HydrophobicContact CG-CE2 4.11Å; Q312-Y344 HydrophobicContact CG-CG 3.35Å
313L95.1Very high93.9Very high2 Ų258.9 Ų58.91%0.0131%0.314CS..G310 helixtrans-58.7-27.7171.7-70.6169.9000112.1V275 V297 F307 R310 F311 C315 V316 F324 V331V275-L313 HydrophobicContact CG2-CD2 4.22Å; V297-L313 HydrophobicContact CG1-CD2 4.43Å; V297-L313 HydrophobicContact CG2-CD2 4.25Å; F307-L313 HydrophobicContact CD1-CD2 4.38Å; F307-L313 HydrophobicContact CE1-CD2 3.85Å; F307-L313 HydrophobicContact CE1-CG 4.39Å; F307-L313 HydrophobicContact CZ-CD2 3.95Å; R310-L313 WeakPolarHBondContact O-CB 3.21Å; R310-L313 WeakPolarHBondContact O-CG 2.98Å; R310-L313 PolarHBondContact O-N 2.91Å; F311-L313 PolarHBondContact O-N 2.98Å; L313-C315 PolarHBondContact O-N 3.38Å; L313-V316 HydrophobicContact CD2-CG2 4.43Å; L313-V316 WeakPolarHBondContact O-CB 3.26Å; L313-V316 WeakPolarHBondContact O-CG2 3.39Å; L313-V316 PolarHBondContact O-N 3.4Å; L313-F324 HydrophobicContact CB-CD2 3.85Å; L313-F324 HydrophobicContact CB-CE2 4.15Å; L313-F324 HydrophobicContact CD1-CD2 4.45Å; L313-F324 HydrophobicContact CD1-CE2 4.44Å; L313-V331 HydrophobicContact CD1-CB 4.38Å; L313-V331 HydrophobicContact CD1-CG1 4.16Å; L313-V331 HydrophobicContact CD1-CG2 4.38Å
314K95Very high94Very high95 Ų9551 Ų5141%0.41328%0.279SS..G310 helixtrans-64.9-18.8174.3-63.5-167.9176-1610113.1F311 Q312 V316 E321 F324F311-K314 WeakPolarHBondContact O-CB 3.42Å; F311-K314 PolarHBondContact O-N 3.38Å; F311-K314 VanDerWaalsContact O-N 3.09Å; Q312-K314 PolarHBondContact O-N 3.47Å; K314-V316 VanDerWaalsContact C-N 3.33Å; K314-E321 IonicContact NZ-OE1 3.91Å; K314-E321 PolarHBondContact NZ-OE1 3.47Å; K314-F324 HydrophobicContact CD-CD1 4.38Å; K314-F324 VanDerWaalsContact CE-CE1 3.41Å; K314-F324 HydrophobicContact CG-CB 4.44Å; K314-F324 HydrophobicContact CG-CD1 4.14Å; K314-F324 HydrophobicContact CG-CD2 4.04Å; K314-F324 HydrophobicContact CG-CE1 4.44Å; K314-F324 HydrophobicContact CG-CE2 4.36Å; K314-F324 HydrophobicContact CG-CG 3.92Å
315C94Very high94.3Very high63 Ų6352.5 Ų52.543%0.42628%0.281SS..G310 helixtrans-84.3-7.5175.1-59.20000113.2F300 Q312 L313 K317 Y344F300-C315 HydrophobicContact CE2-CB 3.7Å; F300-C315 HydrophobicContact CZ-CB 3.96Å; Q312-C315 VanDerWaalsContact O-CB 3.31Å; Q312-C315 WeakPolarHBondContact O-CB 3.4Å; Q312-C315 PolarHBondContact O-N 3.25Å; L313-C315 PolarHBondContact O-N 3.38Å; C315-K317 PolarHBondContact O-N 3.46Å; C315-Y344 PolarHBondContact SG-OH 3.12Å
316V95.8Very high94.5Very high4 Ų455 Ų552%0.02429%0.287CS..SBendtrans-75.1125.2-179.2179.30000109.9A296 V297 F300 F307 L313 K314 G318 L319A296-V316 HydrophobicContact CB-CG1 3.75Å; V297-V316 HydrophobicContact CG2-CG1 3.95Å; V297-V316 HydrophobicContact CG2-CG2 4.27Å; F300-V316 HydrophobicContact CB-CG2 3.99Å; F300-V316 HydrophobicContact CD1-CG2 4.37Å; F300-V316 HydrophobicContact CD2-CG2 4.07Å; F300-V316 HydrophobicContact CG-CG2 3.88Å; F307-V316 HydrophobicContact CE1-CG2 3.98Å; F307-V316 HydrophobicContact CZ-CG2 3.85Å; L313-V316 HydrophobicContact CD2-CG2 4.43Å; L313-V316 WeakPolarHBondContact O-CB 3.26Å; L313-V316 WeakPolarHBondContact O-CG2 3.39Å; L313-V316 PolarHBondContact O-N 3.4Å; K314-V316 VanDerWaalsContact C-N 3.33Å; V316-G318 PolarHBondContact O-N 3.28Å; V316-L319 HydrophobicContact CB-CB 4.05Å; V316-L319 HydrophobicContact CB-CD1 4.36Å; V316-L319 HydrophobicContact CG1-CB 4.31Å; V316-L319 WeakPolarHBondContact O-CB 3.18Å; V316-L319 PolarHBondContact O-N 3.48Å; V316-L319 VanDerWaalsContact O-N 3.13Å
317K93.5Very high94.6Very high194 Ų19452.7 Ų52.784%0.84327%0.273SS*.THydrogen-bonded Turntrans-59.4124.2-178.7-174.3180179.6-179.30111.1C315 L319C315-K317 PolarHBondContact O-N 3.46Å; K317-L319 VanDerWaalsContact C-N 3.33Å
318G93.2Very high94.7Very high63 Ų6352.7 Ų52.765%0.64927%0.273SS*.THydrogen-bonded Turntrans85.6-1.8177.700000115V316 S320V316-G318 PolarHBondContact O-N 3.28Å; G318-S320 PolarHBondContact O-N 2.99Å
319L94.8Very high94.7Very high14 Ų1453 Ų537%0.07328%0.276CS..  trans-86.9106.2171.8-163.5149.5000108.7L289 V297 V316 K317 A323 F324L289-L319 HydrophobicContact CD2-CD1 3.89Å; V297-L319 HydrophobicContact CG2-CD1 4.11Å; V316-L319 HydrophobicContact CB-CB 4.05Å; V316-L319 HydrophobicContact CB-CD1 4.36Å; V316-L319 HydrophobicContact CG1-CB 4.31Å; V316-L319 WeakPolarHBondContact O-CB 3.18Å; V316-L319 PolarHBondContact O-N 3.48Å; V316-L319 VanDerWaalsContact O-N 3.13Å; K317-L319 VanDerWaalsContact C-N 3.33Å; L319-A323 HydrophobicContact CD2-CB 4.39Å; L319-A323 HydrophobicContact CG-CB 4.27Å; L319-F324 HydrophobicContact CD2-CB 3.64Å
320S94.7Very high94.8Very high65 Ų6555.7 Ų55.746%0.45529%0.288SS..  trans-73.6162.4-179.169.10000111.9G318 H322 A323 F324G318-S320 PolarHBondContact O-N 2.99Å; S320-H322 PolarHBondContact O-N 3.41Å; S320-A323 WeakPolarHBondContact O-CB 3.41Å; S320-A323 PolarHBondContact O-N 2.85Å; S320-A323 WeakPolarHBondContact OG-CB 3.32Å; S320-A323 PolarHBondContact OG-N 3.46Å; S320-A323 VanDerWaalsContact OG-N 3.1Å; S320-F324 PolarHBondContact O-N 3.21Å
321E94.5Very high94.8Very high138 Ų13855.7 Ų55.765%0.64529%0.288SS*.Hα-helixtrans-61.1-35175.9-175152.3-132.700112.6K314 F324 K325K314-E321 IonicContact NZ-OE1 3.91Å; K314-E321 PolarHBondContact NZ-OE1 3.47Å; E321-F324 PolarHBondContact O-N 3.13Å; E321-K325 PolarHBondContact O-N 3.41Å
322H94.9Very high94.8Very high133 Ų13352.9 Ų52.962%0.61628%0.275SS*.Hα-helixtrans-63.2-45.3170.9-178.7-85.7000111.7S320 F324 K325 M326S320-H322 PolarHBondContact O-N 3.41Å; H322-F324 VanDerWaalsContact C-N 3.33Å; H322-F324 PolarHBondContact O-N 2.95Å; H322-K325 PolarHBondContact O-N 3.37Å; H322-M326 WeakPolarHBondContact O-CG 3.36Å; H322-M326 PolarHBondContact O-N 3.47Å
323A94.9Very high94.8Very high10 Ų1052.2 Ų52.28%0.08327%0.272CS..Hα-helixtrans-61.8-41.417700000111.7G288 L319 S320 M326 C327G288-A323 WeakPolarHBondContact O-CB 3.4Å; L319-A323 HydrophobicContact CD2-CB 4.39Å; L319-A323 HydrophobicContact CG-CB 4.27Å; S320-A323 WeakPolarHBondContact O-CB 3.41Å; S320-A323 PolarHBondContact O-N 2.85Å; S320-A323 WeakPolarHBondContact OG-CB 3.32Å; S320-A323 PolarHBondContact OG-N 3.46Å; S320-A323 VanDerWaalsContact OG-N 3.1Å; A323-M326 PolarHBondContact O-N 3.29Å; A323-C327 PolarHBondContact O-N 3.49Å; A323-C327 PolarHBondContact O-SG 3.46Å
324F96.7Very high94.5Very high13 Ų1356.6 Ų56.66%0.05729%0.292CS..Hα-helixtrans-57.8-48.6173.1172.8-103.6000111.7R310 F311 L313 K314 L319 S320 E321 H322 M326 C327 S328R310-F324 HydrophobicContact CB-CE2 4.47Å; R310-F324 VanDerWaalsContact O-CE2 3.29Å; R310-F324 WeakPolarHBondContact O-CE2 3.3Å; F311-F324 HydrophobicContact CD1-CE1 4.36Å; F311-F324 AromaticContact CD1-CZ 3.91Å; F311-F324 HydrophobicContact CD1-CZ 3.91Å; F311-F324 HydrophobicContact CE1-CE1 4.42Å; F311-F324 HydrophobicContact CE1-CZ 4.2Å; L313-F324 HydrophobicContact CB-CD2 3.85Å; L313-F324 HydrophobicContact CB-CE2 4.15Å; L313-F324 HydrophobicContact CD1-CD2 4.45Å; L313-F324 HydrophobicContact CD1-CE2 4.44Å; K314-F324 HydrophobicContact CD-CD1 4.38Å; K314-F324 VanDerWaalsContact CE-CE1 3.41Å; K314-F324 HydrophobicContact CG-CB 4.44Å; K314-F324 HydrophobicContact CG-CD1 4.14Å; K314-F324 HydrophobicContact CG-CD2 4.04Å; K314-F324 HydrophobicContact CG-CE1 4.44Å; K314-F324 HydrophobicContact CG-CE2 4.36Å; K314-F324 HydrophobicContact CG-CG 3.92Å; L319-F324 HydrophobicContact CD2-CB 3.64Å; S320-F324 PolarHBondContact O-N 3.21Å; E321-F324 PolarHBondContact O-N 3.13Å; H322-F324 VanDerWaalsContact C-N 3.33Å; H322-F324 PolarHBondContact O-N 2.95Å; F324-M326 VanDerWaalsContact C-N 3.26Å; F324-M326 PolarHBondContact O-N 3.06Å; F324-C327 PolarHBondContact O-N 3.14Å; F324-S328 WeakPolarHBondContact O-CB 3.46Å; F324-S328 PolarHBondContact O-N 3.23Å; F324-S328 PolarHBondContact O-OG 3.48Å; F324-S328 VanDerWaalsContact O-OG 3.12Å
325K95.8Very high93.5Very high121 Ų12155.1 Ų55.153%0.52630%0.304SS..Hα-helixtrans-58.3-41177.1-173176.5-1791770111.4E321 H322 H355 E357E321-K325 PolarHBondContact O-N 3.41Å; H322-K325 PolarHBondContact O-N 3.37Å; K325-H355 PolarHBondContact O-NE2 2.92Å; K325-E357 WeakPolarHBondContact CE-OE2 3.33Å; K325-E357 IonicContact NZ-OE2 3.07Å
326M94.9Very high92.2Very high76 Ų7661 Ų6137%0.37432%0.322SS..Hα-helixtrans-70.5-40.7179.1-66.8-57.8-62.900113T287 H322 A323 F324 F330T287-M326 HydrophobicContact CG2-CE 3.62Å; T287-M326 CarbonylContact O-C 3.57Å; H322-M326 WeakPolarHBondContact O-CG 3.36Å; H322-M326 PolarHBondContact O-N 3.47Å; A323-M326 PolarHBondContact O-N 3.29Å; F324-M326 VanDerWaalsContact C-N 3.26Å; F324-M326 PolarHBondContact O-N 3.06Å; M326-F330 VanDerWaalsContact O-CD2 3.3Å; M326-F330 WeakPolarHBondContact O-CD2 3.39Å; M326-F330 VanDerWaalsContact O-CE2 3.24Å; M326-F330 WeakPolarHBondContact O-CE2 3.38Å
327C95.4Very high90.9Very high1 Ų162.9 Ų62.91%0.00733%0.331CS..Hα-helixtrans-90.3-25.6-171.573.90000114.4V286 T287 L289 A323 F324 G329 F330 V331V286-C327 HydrophobicContact CG1-CB 3.89Å; T287-C327 VanDerWaalsContact O-CA 3.23Å; T287-C327 WeakPolarHBondContact O-CA 3.46Å; T287-C327 VanDerWaalsContact O-CB 3.31Å; T287-C327 WeakPolarHBondContact O-CB 3.43Å; T287-C327 PolarHBondContact O-N 3.26Å; L289-C327 HydrophobicContact CD2-CB 4.04Å; L289-C327 HydrophobicContact CG-CB 3.99Å; A323-C327 PolarHBondContact O-N 3.49Å; A323-C327 PolarHBondContact O-SG 3.46Å; F324-C327 PolarHBondContact O-N 3.14Å; C327-G329 VanDerWaalsContact C-N 3.25Å; C327-G329 PolarHBondContact O-N 3.41Å; C327-G329 VanDerWaalsContact O-N 3.15Å; C327-F330 PolarHBondContact O-N 3.06Å; C327-V331 PolarHBondContact O-N 3.45Å
328S95.2Very high89.7Confident0 Ų061.4 Ų61.40%033%0.332CS..THydrogen-bonded Turntrans-65.4-24-167.168.90000114.4R310 F324 F330 H355 P356R310-S328 VanDerWaalsContact CD-O 3.25Å; R310-S328 WeakPolarHBondContact CD-O 3.37Å; R310-S328 PolarHBondContact NE-O 3.4Å; F324-S328 WeakPolarHBondContact O-CB 3.46Å; F324-S328 PolarHBondContact O-N 3.23Å; F324-S328 PolarHBondContact O-OG 3.48Å; F324-S328 VanDerWaalsContact O-OG 3.12Å; S328-F330 VanDerWaalsContact C-N 3.33Å; S328-H355 PolarHBondContact OG-NE2 3.35Å; S328-P356 WeakPolarHBondContact OG-CD 3.47Å
329G94.5Very high88.6Confident9 Ų961.1 Ų61.19%0.09332%0.315CS..THydrogen-bonded Turntrans-73.7-20.6173.500000114.8C327 R332 H355C327-G329 VanDerWaalsContact C-N 3.25Å; C327-G329 PolarHBondContact O-N 3.41Å; C327-G329 VanDerWaalsContact O-N 3.15Å; G329-R332 PolarHBondContact O-NH1 2.88Å; G329-H355 PolarHBondContact N-CD2 2.79Å
330F95.3Very high87.7Confident62 Ų6263.5 Ų63.527%0.27233%0.333SS..THydrogen-bonded Turntrans-102.4-16.6-176.2-53.5-64.1000112.6S269 G272 V273 V286 T287 M326 C327 S328S269-F330 VanDerWaalsContact O-CD1 3.24Å; S269-F330 WeakPolarHBondContact O-CD1 3.43Å; G272-F330 CarbonylContact C-O 3.57Å; G272-F330 WeakPolarHBondContact CA-O 3.31Å; V273-F330 PolarHBondContact N-O 3.27Å; V286-F330 HydrophobicContact CG1-CB 3.99Å; T287-F330 HydrophobicContact CG2-CE2 4.4Å; M326-F330 VanDerWaalsContact O-CD2 3.3Å; M326-F330 WeakPolarHBondContact O-CD2 3.39Å; M326-F330 VanDerWaalsContact O-CE2 3.24Å; M326-F330 WeakPolarHBondContact O-CE2 3.38Å; C327-F330 PolarHBondContact O-N 3.06Å; S328-F330 VanDerWaalsContact C-N 3.33Å
331V95Very high87Confident1 Ų163.8 Ų63.81%0.00633%0.332CS..EExtended strand (participates in β ladder)trans-83.6132.9175168.30000110.9V273 V275 R310 L313 C327V273-V331 HydrophobicContact CG2-CG2 4.3Å; V273-V331 CarbonylContact O-C 3.53Å; V275-V331 HydrophobicContact CB-CG1 3.5Å; V275-V331 VanDerWaalsContact CB-CG1 3.5Å; V275-V331 HydrophobicContact CG1-CG1 3.63Å; V275-V331 HydrophobicContact CG2-CG1 4.25Å; R310-V331 PolarHBondContact NE-O 3.47Å; R310-V331 PolarHBondContact NH2-O 2.91Å; L313-V331 HydrophobicContact CD1-CB 4.38Å; L313-V331 HydrophobicContact CD1-CG1 4.16Å; L313-V331 HydrophobicContact CD1-CG2 4.38Å; C327-V331 PolarHBondContact O-N 3.45Å
332R94.6Very high86.2Confident25 Ų2561.8 Ų61.89%0.09434%0.34CS..EExtended strand (participates in β ladder)trans-110.9145.9174.6-59.2-70.2-179.3-95.6-12.5110V273 D274 V275 G329 D350 A351 T352 S353V273-R332 PolarHBondContact O-N 3.06Å; D274-R332 WeakPolarHBondContact CA-O 3.06Å; V275-R332 PolarHBondContact N-O 2.91Å; G329-R332 PolarHBondContact O-NH1 2.88Å; R332-D350 WeakPolarHBondContact CA-O 3.34Å; R332-A351 WeakPolarHBondContact CD-O 3.34Å; R332-T352 PolarHBondContact NE-O 3.31Å; R332-T352 PolarHBondContact NH1-O 3.17Å; R332-S353 VanDerWaalsContact CZ-CA 3.41Å; R332-S353 VanDerWaalsContact NH2-CB 3.29Å
333I93.8Very high85.6Confident8 Ų859.2 Ų59.24%0.04134%0.341CS..  trans-126116168.5-65.7169.4000106.8V275 F307 C309 R310 D350V275-I333 HydrophobicContact CG1-CD1 4.22Å; V275-I333 HydrophobicContact CG1-CG1 3.59Å; F307-I333 HydrophobicContact CB-CD1 3.86Å; F307-I333 HydrophobicContact CB-CG1 4.38Å; F307-I333 VanDerWaalsContact O-CG2 3.29Å; F307-I333 WeakPolarHBondContact O-CG2 3.28Å; C309-I333 VanDerWaalsContact CA-CD1 3.48Å; R310-I333 HydrophobicContact CG-CD1 4.3Å; I333-D350 HydrophobicContact CB-CB 4.18Å; I333-D350 PolarHBondContact N-O 3.43Å; I333-D350 VanDerWaalsContact N-O 3.12Å
334H87.5Confident85.2Confident93 Ų9361.8 Ų61.843%0.43135%0.349SS..  trans-103.1149.4178.9-62-63.6000111.4D274 Q337D274-H334 IonicContact OD2-CD2 3.73Å; H334-Q337 PolarHBondContact O-NE2 2.95Å
335G74Confident84.8Confident64 Ų6469.7 Ų69.766%0.6638%0.379SS*.SBendtrans81.8163.8179.700000113.8
336K66.5Low84.5Confident188 Ų18866.5 Ų66.582%0.81737%0.37SS*.  trans-87.2124.7166.2-72.2-176.7178.2-179.40107.4
337Q69.2Low84.3Confident43 Ų4364.8 Ų64.820%0.20136%0.363CS..  trans-98.8127.8179.1-58.3-61.8-22.400108.5V308 H334 N339V308-Q337 HydrophobicContact CB-CB 4.32Å; V308-Q337 HydrophobicContact CG1-CB 4.33Å; V308-Q337 HydrophobicContact CG2-CB 3.94Å; H334-Q337 PolarHBondContact O-NE2 2.95Å; Q337-N339 WeakPolarHBondContact CB-OD1 3.48Å; Q337-N339 PolarHBondContact O-N 3.42Å
338D67.9Low84.1Confident163 Ų16370 Ų7087%0.87240%0.396SS*.SBendtrans-73-12.7-172.8-77.5-23.5000113.7S340D338-S340 PolarHBondContact O-N 2.83Å
339N71.5Confident84Confident56 Ų5671.2 Ų71.230%0.29940%0.403SS..  trans-86.631.3-179.445.8-28.8000113.4P306 V308 Q337P306-N339 PolarHBondContact O-ND2 3.37Å; V308-N339 HydrophobicContact CG2-CB 4.48Å; Q337-N339 WeakPolarHBondContact CB-OD1 3.48Å; Q337-N339 PolarHBondContact O-N 3.42Å
340S75.3Confident84Confident65 Ų6570.9 Ų70.946%0.45540%0.399SS..  trans-66144.9174.573.30000112.1D338 Y344D338-S340 PolarHBondContact O-N 2.83Å; S340-Y344 WeakPolarHBondContact CA-O 3.2Å
341T80.3Confident83.9Confident70 Ų7069.9 Ų69.943%0.42940%0.402SS..  trans-126170.5175.2620000110A343 Y344T341-A343 PolarHBondContact O-N 3.3Å; T341-A343 VanDerWaalsContact O-N 3.16Å; T341-Y344 PolarHBondContact N-O 3.44Å; T341-Y344 CarbonylContact O-C 3.4Å; T341-Y344 PolarHBondContact O-N 3.48Å; T341-Y344 VanDerWaalsContact O-N 3.16Å; T341-Y344 VanDerWaalsContact O-O 3.1Å; T341-Y344 PolarHBondContact OG1-N 2.85Å; T341-Y344 VanDerWaalsContact OG1-N 3.17Å
342A76.7Confident83.8Confident97 Ų9772 Ų7280%0.80242%0.415SS*.SBendtrans-55.2-33.3174.600000112.5
343A81.9Confident83.7Confident78 Ų7875.2 Ų75.265%0.64544%0.442SS*.SBendtrans-84.6-28179.200000114T341T341-A343 PolarHBondContact O-N 3.3Å; T341-A343 VanDerWaalsContact O-N 3.16Å
344Y87.8Confident83.7Confident65 Ų6577.5 Ų77.526%0.25545%0.453SS..  trans-131.8104.7-173.6-58.7-64.2000110.8F311 Q312 C315 S340 T341F311-Y344 HydrophobicContact CB-CD1 4.43Å; F311-Y344 HydrophobicContact CB-CE1 4.24Å; Q312-Y344 HydrophobicContact CB-CD1 4.46Å; Q312-Y344 HydrophobicContact CG-CD1 3.36Å; Q312-Y344 HydrophobicContact CG-CD2 3.75Å; Q312-Y344 HydrophobicContact CG-CE1 3.74Å; Q312-Y344 HydrophobicContact CG-CE2 4.11Å; Q312-Y344 HydrophobicContact CG-CG 3.35Å; C315-Y344 PolarHBondContact SG-OH 3.12Å; S340-Y344 WeakPolarHBondContact CA-O 3.2Å; T341-Y344 PolarHBondContact N-O 3.44Å; T341-Y344 CarbonylContact O-C 3.4Å; T341-Y344 PolarHBondContact O-N 3.48Å; T341-Y344 VanDerWaalsContact O-N 3.16Å; T341-Y344 VanDerWaalsContact O-O 3.1Å; T341-Y344 PolarHBondContact OG1-N 2.85Å; T341-Y344 VanDerWaalsContact OG1-N 3.17Å
345R87.7Confident84.1Confident179 Ų17974.8 Ų74.868%0.67544%0.441SS*.  trans-114.2147.1179.5-62-173.8-175.5-155.20.4110.6C309 N347C309-R345 WeakPolarHBondContact CB-O 3.3Å; R345-N347 PolarHBondContact O-N 2.93Å
346P89.3Confident85.1Confident54 Ų5472.2 Ų72.235%0.35141%0.412SS..  trans-57.7130.4174.2-19.628.9000110.8V308V308-P346 HydrophobicContact CG1-CB 4.38Å; V308-P346 HydrophobicContact CG1-CG 3.69Å
347N90.2Very high86.4Confident40 Ų4069 Ų6921%0.21440%0.4CS..  trans-115.5121.2173.3-171.9-29000109.4R345 L349 D350 Y359R345-N347 PolarHBondContact O-N 2.93Å; N347-L349 PolarHBondContact O-N 2.94Å; N347-L349 VanDerWaalsContact O-N 3.09Å; N347-L349 WeakPolarHBondContact OD1-CB 3.29Å; N347-L349 WeakPolarHBondContact OD1-CG 3.47Å; N347-L349 PolarHBondContact OD1-N 3.19Å; N347-D350 WeakPolarHBondContact O-CB 3.45Å; N347-D350 PolarHBondContact O-N 3.32Å; N347-Y359 WeakPolarHBondContact ND2-CD2 3.38Å; N347-Y359 WeakPolarHBondContact ND2-CE2 3.32Å
348P91.1Very high87.7Confident110 Ų11068.7 Ų68.771%0.71440%0.403SS*.G310 helixtrans-54.1-28.8177-26.134.8000114.3D350 A351P348-D350 PolarHBondContact O-N 3.36Å; P348-A351 PolarHBondContact O-N 3.01Å
349L94.1Very high89Confident26 Ų2661.4 Ų61.414%0.13636%0.363CS..G310 helixtrans-67.5-22.1178.3-56.5-179.5000112.8N347 A351 T352 I354 Y359 V362N347-L349 PolarHBondContact O-N 2.94Å; N347-L349 VanDerWaalsContact O-N 3.09Å; N347-L349 WeakPolarHBondContact OD1-CB 3.29Å; N347-L349 WeakPolarHBondContact OD1-CG 3.47Å; N347-L349 PolarHBondContact OD1-N 3.19Å; L349-A351 PolarHBondContact O-N 2.97Å; L349-T352 WeakPolarHBondContact O-CB 3.44Å; L349-T352 PolarHBondContact O-N 3.45Å; L349-T352 PolarHBondContact O-OG1 2.99Å; L349-I354 HydrophobicContact CD2-CD1 4.11Å; L349-Y359 HydrophobicContact CB-CD1 4.08Å; L349-Y359 HydrophobicContact CB-CE1 3.57Å; L349-Y359 HydrophobicContact CB-CE2 4.33Å; L349-Y359 HydrophobicContact CD1-CD1 3.59Å; L349-Y359 HydrophobicContact CD1-CD2 4.43Å; L349-Y359 HydrophobicContact CD1-CE1 3.99Å; L349-Y359 HydrophobicContact CD1-CG 3.84Å; L349-Y359 HydrophobicContact CG-CD1 4.5Å; L349-Y359 HydrophobicContact CG-CE1 4.44Å; L349-V362 HydrophobicContact CD1-CB 4.08Å; L349-V362 HydrophobicContact CD1-CG1 4.02Å; L349-V362 HydrophobicContact CD2-CG1 3.9Å
350D94.8Very high90.1Very high1 Ų162.2 Ų62.21%0.00537%0.371CS..G310 helixtrans-66.3-18.6178.1-69.4-15.5000112.3C309 R310 R332 I333 N347 P348 T352 Y359C309-D350 WeakPolarHBondContact CA-OD2 3.46Å; C309-D350 WeakPolarHBondContact CB-OD2 3.49Å; R310-D350 WeakPolarHBondContact CD-OD1 3.44Å; R310-D350 HydrophobicContact CG-CB 4.16Å; R310-D350 PolarHBondContact N-OD2 3.15Å; R310-D350 IonicContact NE-OD1 3.92Å; R310-D350 PolarHBondContact NH2-O 3.32Å; R332-D350 WeakPolarHBondContact CA-O 3.34Å; I333-D350 HydrophobicContact CB-CB 4.18Å; I333-D350 PolarHBondContact N-O 3.43Å; I333-D350 VanDerWaalsContact N-O 3.12Å; N347-D350 WeakPolarHBondContact O-CB 3.45Å; N347-D350 PolarHBondContact O-N 3.32Å; P348-D350 PolarHBondContact O-N 3.36Å; D350-T352 VanDerWaalsContact C-N 3.33Å; D350-Y359 WeakPolarHBondContact OD1-CE2 3.44Å; D350-Y359 PolarHBondContact OD1-OH 3.34Å
351A93.3Very high91Very high41 Ų4164.6 Ų64.634%0.33938%0.378SS..G310 helixtrans-85.3-1.3172.100000113.6R332 P348 L349R332-A351 WeakPolarHBondContact CD-O 3.34Å; P348-A351 PolarHBondContact O-N 3.01Å; L349-A351 PolarHBondContact O-N 2.97Å
352T93.1Very high91.5Very high47 Ų4764.6 Ų64.629%0.28838%0.378SS..SBendtrans-114.3167.5-175.477.80000112.1R310 R332 L349 D350 I354R310-T352 PolarHBondContact NH2-O 3.39Å; R332-T352 PolarHBondContact NE-O 3.31Å; R332-T352 PolarHBondContact NH1-O 3.17Å; L349-T352 WeakPolarHBondContact O-CB 3.44Å; L349-T352 PolarHBondContact O-N 3.45Å; L349-T352 PolarHBondContact O-OG1 2.99Å; D350-T352 VanDerWaalsContact C-N 3.33Å; T352-I354 PolarHBondContact O-N 2.79Å; T352-I354 WeakPolarHBondContact OG1-CB 3.5Å; T352-I354 WeakPolarHBondContact OG1-CG1 3.5Å; T352-I354 PolarHBondContact OG1-N 3.29Å
353S92.3Very high91.8Very high92 Ų9266.8 Ų66.864%0.64337%0.372SS*.SBendtrans-73.4-1.4173.154.50000115.5R332 H355R332-S353 VanDerWaalsContact CZ-CA 3.41Å; R332-S353 VanDerWaalsContact NH2-CB 3.29Å; S353-H355 PolarHBondContact O-N 3.02Å
354I94.2Very high91.6Very high56 Ų5675.7 Ų75.729%0.28739%0.388SS..  trans-68123.5-179.7-61.2170.8000108.2R310 L349 T352 Y359 V362R310-I354 PolarHBondContact NH1-O 3.5Å; L349-I354 HydrophobicContact CD2-CD1 4.11Å; T352-I354 PolarHBondContact O-N 2.79Å; T352-I354 WeakPolarHBondContact OG1-CB 3.5Å; T352-I354 WeakPolarHBondContact OG1-CG1 3.5Å; T352-I354 PolarHBondContact OG1-N 3.29Å; I354-Y359 HydrophobicContact CG2-CD1 4.06Å; I354-Y359 HydrophobicContact CG2-CE1 4.13Å; I354-Y359 WeakPolarHBondContact O-CE1 3.36Å; I354-V362 HydrophobicContact CD1-CG2 4.22Å; I354-V362 HydrophobicContact CG2-CG2 4.1Å
355H95.5Very high91.8Very high36 Ų3676.2 Ų76.217%0.16740%0.395CS..  trans-71.3143.8179.2-171-92000110.7K325 S328 G329 S353 E357 S358 Y359K325-H355 PolarHBondContact O-NE2 2.92Å; S328-H355 PolarHBondContact OG-NE2 3.35Å; G329-H355 PolarHBondContact N-CD2 2.79Å; S353-H355 PolarHBondContact O-N 3.02Å; H355-E357 HydrophobicContact CB-CG 4.31Å; H355-E357 IonicContact CE1-OE2 3.98Å; H355-E357 WeakPolarHBondContact ND1-CB 3.5Å; H355-E357 WeakPolarHBondContact ND1-CG 3.4Å; H355-E357 PolarHBondContact ND1-N 3.36Å; H355-E357 VanDerWaalsContact ND1-N 3.16Å; H355-E357 IonicContact ND1-OE1 3.14Å; H355-E357 IonicContact ND1-OE2 3.18Å; H355-E357 PolarHBondContact O-N 3.38Å; H355-S358 PolarHBondContact O-N 2.84Å; H355-Y359 WeakPolarHBondContact O-CD1 3.25Å
356P95Very high92.1Very high10 Ų1070.8 Ų70.87%0.06538%0.38CS..G310 helixtrans-53.5-26.6178.6-30.337.6000115.5R310 F311 S328 S358 Y359R310-P356 HydrophobicContact CB-CG 4.47Å; F311-P356 HydrophobicContact CE1-CB 4.38Å; F311-P356 HydrophobicContact CZ-CB 4Å; S328-P356 WeakPolarHBondContact OG-CD 3.47Å; P356-S358 PolarHBondContact O-N 3.29Å; P356-Y359 HydrophobicContact CB-CD2 4.44Å; P356-Y359 HydrophobicContact CB-CE1 4.47Å; P356-Y359 HydrophobicContact CB-CE2 4.22Å; P356-Y359 HydrophobicContact CG-CE1 4.47Å; P356-Y359 HydrophobicContact CG-CE2 4.41Å; P356-Y359 PolarHBondContact O-N 2.97Å
357E94.3Very high92.2Very high119 Ų11971.7 Ų71.756%0.55638%0.382SS*.G310 helixtrans-64.1-22.2175.480.9-167.3167.500113.5K325 H355K325-E357 WeakPolarHBondContact CE-OE2 3.33Å; K325-E357 IonicContact NZ-OE2 3.07Å; H355-E357 HydrophobicContact CB-CG 4.31Å; H355-E357 IonicContact CE1-OE2 3.98Å; H355-E357 WeakPolarHBondContact ND1-CB 3.5Å; H355-E357 WeakPolarHBondContact ND1-CG 3.4Å; H355-E357 PolarHBondContact ND1-N 3.36Å; H355-E357 VanDerWaalsContact ND1-N 3.16Å; H355-E357 IonicContact ND1-OE1 3.14Å; H355-E357 IonicContact ND1-OE2 3.18Å; H355-E357 PolarHBondContact O-N 3.38Å
358S95.4Very high92.3Very high38 Ų3873.6 Ų73.627%0.26639%0.392SS..G310 helixtrans-98.5-1.6179-52.30000113.3H355 P356 P360 I361 V362H355-S358 PolarHBondContact O-N 2.84Å; P356-S358 PolarHBondContact O-N 3.29Å; S358-P360 VanDerWaalsContact C-CD 3.48Å; S358-P360 VanDerWaalsContact C-N 3.34Å; S358-I361 WeakPolarHBondContact O-CB 3.48Å; S358-I361 PolarHBondContact O-N 3.21Å; S358-V362 PolarHBondContact O-N 2.9Å
359Y95.2Very high92.4Very high9 Ų971.3 Ų71.34%0.03537%0.372CS..Hα-helixtrans-55.7-43.6178.8-70.55000112.6R310 F311 N347 L349 D350 I354 H355 P356 I361 V362 E363R310-Y359 PolarHBondContact NH1-OH 3.39Å; F311-Y359 HydrophobicContact CE2-CD2 4.29Å; F311-Y359 HydrophobicContact CE2-CE2 4.27Å; N347-Y359 WeakPolarHBondContact ND2-CD2 3.38Å; N347-Y359 WeakPolarHBondContact ND2-CE2 3.32Å; L349-Y359 HydrophobicContact CB-CD1 4.08Å; L349-Y359 HydrophobicContact CB-CE1 3.57Å; L349-Y359 HydrophobicContact CB-CE2 4.33Å; L349-Y359 HydrophobicContact CD1-CD1 3.59Å; L349-Y359 HydrophobicContact CD1-CD2 4.43Å; L349-Y359 HydrophobicContact CD1-CE1 3.99Å; L349-Y359 HydrophobicContact CD1-CG 3.84Å; L349-Y359 HydrophobicContact CG-CD1 4.5Å; L349-Y359 HydrophobicContact CG-CE1 4.44Å; D350-Y359 WeakPolarHBondContact OD1-CE2 3.44Å; D350-Y359 PolarHBondContact OD1-OH 3.34Å; I354-Y359 HydrophobicContact CG2-CD1 4.06Å; I354-Y359 HydrophobicContact CG2-CE1 4.13Å; I354-Y359 WeakPolarHBondContact O-CE1 3.36Å; H355-Y359 WeakPolarHBondContact O-CD1 3.25Å; P356-Y359 HydrophobicContact CB-CD2 4.44Å; P356-Y359 HydrophobicContact CB-CE1 4.47Å; P356-Y359 HydrophobicContact CB-CE2 4.22Å; P356-Y359 HydrophobicContact CG-CE1 4.47Å; P356-Y359 HydrophobicContact CG-CE2 4.41Å; P356-Y359 PolarHBondContact O-N 2.97Å; Y359-I361 PolarHBondContact O-N 3.48Å; Y359-I361 VanDerWaalsContact O-N 3.12Å; Y359-V362 PolarHBondContact O-N 3.32Å; Y359-E363 WeakPolarHBondContact O-CG 3.45Å; Y359-E363 PolarHBondContact O-N 3.38Å
360P94.1Very high92.3Very high73 Ų7374.3 Ų74.347%0.47439%0.387SS..Hα-helixtrans-63.9-19.3176.9-22.134.4000114.3S358 R364S358-P360 VanDerWaalsContact C-CD 3.48Å; S358-P360 VanDerWaalsContact C-N 3.34Å; P360-R364 WeakPolarHBondContact O-CG 3.45Å
361I93.9Very high92.1Very high116 Ų11679.6 Ų79.660%0.59541%0.414SS*.Hα-helixtrans-79.9-36.1175.5-63.4163.1000110.1S358 Y359S358-I361 WeakPolarHBondContact O-CB 3.48Å; S358-I361 PolarHBondContact O-N 3.21Å; Y359-I361 PolarHBondContact O-N 3.48Å; Y359-I361 VanDerWaalsContact O-N 3.12Å
362V91.2Very high92Very high69 Ų6982.5 Ų82.542%0.41842%0.42SS..Hα-helixtrans-78-28.1-179.1-178.70000112.3L349 I354 S358 Y359 R364L349-V362 HydrophobicContact CD1-CB 4.08Å; L349-V362 HydrophobicContact CD1-CG1 4.02Å; L349-V362 HydrophobicContact CD2-CG1 3.9Å; I354-V362 HydrophobicContact CD1-CG2 4.22Å; I354-V362 HydrophobicContact CG2-CG2 4.1Å; S358-V362 PolarHBondContact O-N 2.9Å; Y359-V362 PolarHBondContact O-N 3.32Å; V362-R364 VanDerWaalsContact C-N 3.28Å
363E83.4Confident91.9Very high144 Ų14485.5 Ų85.567%0.67343%0.431SS*.  trans-77.6-10.6177.2-70.7175.2176.400113.8Y359Y359-E363 WeakPolarHBondContact O-CG 3.45Å; Y359-E363 PolarHBondContact O-N 3.38Å
364R79Confident91.9Very high264 Ų26484.9 Ų84.9100%0.99641%0.412SS*.  trans-86.80172.5-72.2175.8-174.2-173.81.6110.6P360 V362P360-R364 WeakPolarHBondContact O-CG 3.45Å; V362-R364 VanDerWaalsContact C-N 3.28Å

Retrieved 364 of 364 residues in 67.5 ms (Link to these results)

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