A0A087YEM2_POEFO Loading...

Lysine demethylase 7A

AlphaFold DB , UniProt , Accession A0A087YEM2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 809 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
1M49Very low85.1Confident243 Ų24392.1 Ų92.1100%1.19754%0.542SS*.  0139.40-65.8166.1176.700107.3
2A61.8Low85.8Confident99 Ų9992.8 Ų92.882%0.81854%0.536SS*.PPolyproline II helixtrans-70.1145.4165.800000108.8
3A77.3Confident86.5Confident95 Ų9590.4 Ų90.479%0.78553%0.525SS*.PPolyproline II helixtrans-69.1141.317000000109.3
4A83.4Confident86.9Confident65 Ų6594.1 Ų94.154%0.53753%0.527SS..PPolyproline II helixtrans-60.5137.3174.900000110.1L6 P13A4-L6 PolarHBondContact O-N 3.02Å; A4-P13 HydrophobicContact CB-CB 4.43Å
5P89.4Confident87.2Confident84 Ų8491.7 Ų91.755%0.54551%0.513SS..PPolyproline II helixtrans-55.5130.8175.6-27.135.8000111.7Y7P5-Y7 HydrophobicContact CB-CE2 3.79Å; P5-Y7 WeakPolarHBondContact O-CE2 3.47Å
6L94.9Very high87.4Confident95 Ų9593.7 Ų93.750%0.49753%0.528SS..EExtended strand (participates in β ladder)trans-106.2123.3-179.3-59.4-179000110.2A4 Q12 P13A4-L6 PolarHBondContact O-N 3.02Å; L6-Q12 WeakPolarHBondContact CA-O 3.39Å; L6-P13 HydrophobicContact CD2-CB 4.42Å
7Y95.7Very high87.4Confident68 Ų6894.2 Ų94.227%0.26754%0.539SS..EExtended strand (participates in β ladder)trans-110.4168.9-174.9-57.8-81.1000111.6P5 R11 Q12 W29P5-Y7 HydrophobicContact CB-CE2 3.79Å; P5-Y7 WeakPolarHBondContact O-CE2 3.47Å; Y7-R11 WeakPolarHBondContact O-CA 3.44Å; Y7-R11 PolarHBondContact O-N 3.08Å; Y7-Q12 PolarHBondContact N-O 3.35Å; Y7-Q12 PolarHBondContact O-N 3.3Å; Y7-W29 HydrophobicContact CD1-CB 4Å; Y7-W29 HydrophobicContact CG-CB 4.41Å
8C96.9Very high87.5Confident0 Ų093.4 Ų93.40%053%0.526CS..THydrogen-bonded Turntrans65.4169.6170.4-167.80000114.2C10 R11 M20 D28 W29 F30 H31 C34C8-C10 PolarHBondContact O-N 3.27Å; C8-R11 WeakPolarHBondContact O-CD 3.33Å; C8-R11 PolarHBondContact O-N 2.79Å; C8-R11 VanDerWaalsContact O-N 3.15Å; C8-R11 PolarHBondContact O-NH1 3.12Å; C8-M20 HydrophobicContact CB-CE 4.39Å; C8-D28 PolarHBondContact N-OD1 3.37Å; C8-D28 VanDerWaalsContact N-OD1 3.13Å; C8-W29 WeakPolarHBondContact CA-O 3.37Å; C8-W29 VanDerWaalsContact CB-O 3.32Å; C8-W29 WeakPolarHBondContact CB-O 3.18Å; C8-W29 PolarHBondContact N-O 3.23Å; C8-F30 HydrophobicContact CB-CD1 4.48Å; C8-H31 PolarHBondContact SG-N 2.93Å; C8-C34 VanDerWaalsContact SG-CB 3.59Å
9V96.1Very high87.7Confident80 Ų8091.8 Ų91.849%0.48551%0.512SS..THydrogen-bonded Turntrans-58.5-25.5172.8-620000113.2F30 C34V9-F30 HydrophobicContact CG1-CD1 4.24Å; V9-F30 HydrophobicContact CG1-CE1 3.9Å; V9-C34 HydrophobicContact CG2-CB 4.06Å
10C96.1Very high88.1Confident44 Ų4488.1 Ų88.130%0.29749%0.491SS..THydrogen-bonded Turntrans-83.6-5179.762.60000114.7C8 Q12 H31C8-C10 PolarHBondContact O-N 3.27Å; C10-Q12 VanDerWaalsContact C-N 3.32Å; C10-Q12 HydrophobicContact CB-CG 4.26Å; C10-Q12 PolarHBondContact O-N 3.26Å; C10-Q12 PolarHBondContact O-NE2 3.32Å; C10-H31 PolarHBondContact SG-ND1 2.66Å; C10-H31 VanDerWaalsContact SG-ND1 3.38Å
11R95.1Very high88.5Confident140 Ų14084.9 Ų84.953%0.52847%0.473SS..THydrogen-bonded Turntrans46.152179.5-60.6-58.2-177.3-151.80.1113.5Y7 C8 D28Y7-R11 WeakPolarHBondContact O-CA 3.44Å; Y7-R11 PolarHBondContact O-N 3.08Å; C8-R11 WeakPolarHBondContact O-CD 3.33Å; C8-R11 PolarHBondContact O-N 2.79Å; C8-R11 VanDerWaalsContact O-N 3.15Å; C8-R11 PolarHBondContact O-NH1 3.12Å; R11-D28 IonicContact CZ-OD2 3.81Å; R11-D28 IonicContact NH1-OD2 2.82Å; R11-D28 PolarHBondContact NH1-OD2 2.86Å; R11-D28 IonicContact NH2-OD2 3.9Å
12Q94.4Very high90.8Very high101 Ų10176.3 Ų76.347%0.47243%0.43SS..EExtended strand (participates in β ladder)trans-106.5156.1175.4-65.9-53.8-57.500110.1L6 Y7 C10L6-Q12 WeakPolarHBondContact CA-O 3.39Å; Y7-Q12 PolarHBondContact N-O 3.35Å; Y7-Q12 PolarHBondContact O-N 3.3Å; C10-Q12 VanDerWaalsContact C-N 3.32Å; C10-Q12 HydrophobicContact CB-CG 4.26Å; C10-Q12 PolarHBondContact O-N 3.26Å; C10-Q12 PolarHBondContact O-NE2 3.32Å
13P93.9Very high92.5Very high61 Ų6171.6 Ų71.640%0.39639%0.391SS..EExtended strand (participates in β ladder)trans-62.6166168.229.6-36.3000111.3A4 L6A4-P13 HydrophobicContact CB-CB 4.43Å; L6-P13 HydrophobicContact CD2-CB 4.42Å
14Y93.1Very high93.5Very high142 Ų14270.1 Ų70.156%0.55737%0.37SS*.  trans-63138.6174.5176.3-115.7000111.9V16 M20Y14-V16 HydrophobicContact CD1-CG2 4.3Å; Y14-V16 HydrophobicContact CE1-CG2 3.6Å; Y14-M20 HydrophobicContact CD2-SD 3.68Å; Y14-M20 HydrophobicContact CE2-SD 4.03Å
15D90.9Very high94.2Very high58 Ų5870.4 Ų70.431%0.3136%0.361SS..  trans-131.4111-178.8178.7-5.9000109.5S17 R18D15-S17 VanDerWaalsContact CG-OG 3.28Å; D15-S17 PolarHBondContact O-N 3.39Å; D15-S17 VanDerWaalsContact O-N 3.16Å; D15-S17 WeakPolarHBondContact OD1-CB 3.26Å; D15-S17 PolarHBondContact OD1-N 2.78Å; D15-S17 PolarHBondContact OD1-OG 3.08Å; D15-S17 PolarHBondContact OD2-OG 2.6Å; D15-R18 HydrophobicContact CB-CB 4.45Å; D15-R18 HydrophobicContact CB-CG 4.29Å; D15-R18 PolarHBondContact O-N 3.17Å; D15-R18 VanDerWaalsContact O-N 3.14Å; D15-R18 WeakPolarHBondContact OD2-CD 3.49Å; D15-R18 WeakPolarHBondContact OD2-CG 3.48Å
16V89.7Confident94.5Very high124 Ų12469.1 Ų69.175%0.75235%0.354SS*.THydrogen-bonded Turntrans-61.2-22.8-178.1-179.20000112.4Y14 R18Y14-V16 HydrophobicContact CD1-CG2 4.3Å; Y14-V16 HydrophobicContact CE1-CG2 3.6Å; V16-R18 VanDerWaalsContact C-N 3.28Å; V16-R18 PolarHBondContact O-N 3.45Å
17S87.4Confident94.6Very high102 Ų10270 Ų7071%0.71335%0.354SS*.THydrogen-bonded Turntrans-80.2-6-179.773.60000114D15D15-S17 VanDerWaalsContact CG-OG 3.28Å; D15-S17 PolarHBondContact O-N 3.39Å; D15-S17 VanDerWaalsContact O-N 3.16Å; D15-S17 WeakPolarHBondContact OD1-CB 3.26Å; D15-S17 PolarHBondContact OD1-N 2.78Å; D15-S17 PolarHBondContact OD1-OG 3.08Å; D15-S17 PolarHBondContact OD2-OG 2.6Å
18R89.6Confident94.7Very high80 Ų8068.2 Ų68.230%0.30235%0.349SS..SBendtrans-119.7124.9-172.2-64.2179.366.9-167.8-0.2111.7D15 V16 M20 H31D15-R18 HydrophobicContact CB-CB 4.45Å; D15-R18 HydrophobicContact CB-CG 4.29Å; D15-R18 PolarHBondContact O-N 3.17Å; D15-R18 VanDerWaalsContact O-N 3.14Å; D15-R18 WeakPolarHBondContact OD2-CD 3.49Å; D15-R18 WeakPolarHBondContact OD2-CG 3.48Å; V16-R18 VanDerWaalsContact C-N 3.28Å; V16-R18 PolarHBondContact O-N 3.45Å; R18-M20 WeakPolarHBondContact O-CG 3.4Å; R18-M20 PolarHBondContact O-N 3.07Å; R18-H31 VanDerWaalsContact CZ-CD2 3.48Å; R18-H31 PolarHBondContact NH1-CE1 3.49Å; R18-H31 PolarHBondContact NH1-NE2 2.82Å
19F92Very high94.7Very high63 Ų6373 Ų7328%0.27637%0.367SS..  trans-55128.8170.4165.6-110.8000111.5I21 H31 G32 V37 E39 A42F19-I21 HydrophobicContact CZ-CB 3.98Å; F19-I21 HydrophobicContact CZ-CG2 4.43Å; F19-H31 WeakPolarHBondContact O-CA 3.32Å; F19-G32 PolarHBondContact O-N 3.2Å; F19-V37 HydrophobicContact CE1-CB 4.44Å; F19-V37 HydrophobicContact CE1-CG1 4.02Å; F19-V37 WeakPolarHBondContact CE1-O 3.25Å; F19-V37 HydrophobicContact CZ-CG1 4.28Å; F19-E39 HydrophobicContact CD1-CB 4.49Å; F19-E39 HydrophobicContact CG-CB 4.4Å; F19-A42 HydrophobicContact CE1-CB 4.31Å; F19-A42 HydrophobicContact CE2-CB 3.76Å; F19-A42 HydrophobicContact CZ-CB 3.4Å
20M95.4Very high94.8Very high17 Ų1769.5 Ų69.58%0.08435%0.345CS..EExtended strand (participates in β ladder)trans-131.9153.1176.3-57.6-166.877.300111.7C8 Y14 R18 W29 F30C8-M20 HydrophobicContact CB-CE 4.39Å; Y14-M20 HydrophobicContact CD2-SD 3.68Å; Y14-M20 HydrophobicContact CE2-SD 4.03Å; R18-M20 WeakPolarHBondContact O-CG 3.4Å; R18-M20 PolarHBondContact O-N 3.07Å; M20-W29 HydrophobicContact CB-CE3 3.9Å; M20-W29 HydrophobicContact CE-CB 3.87Å; M20-W29 WeakPolarHBondContact CE-O 3.09Å; M20-F30 CarbonylContact C-O 3.49Å; M20-F30 WeakPolarHBondContact CA-O 3.3Å
21I96.6Very high94.8Very high21 Ų2167.4 Ų67.411%0.10833%0.331CS..EExtended strand (participates in β ladder)trans-133.8137.3178.4-172.4168.1000111.1F19 F30 V37 I45 Y48F19-I21 HydrophobicContact CZ-CB 3.98Å; F19-I21 HydrophobicContact CZ-CG2 4.43Å; I21-F30 PolarHBondContact N-O 3.38Å; I21-F30 PolarHBondContact O-N 2.68Å; I21-V37 HydrophobicContact CD1-CG1 4.43Å; I21-I45 HydrophobicContact CD1-CD1 3.83Å; I21-Y48 HydrophobicContact CB-CD1 4.33Å; I21-Y48 HydrophobicContact CD1-CD1 4.12Å; I21-Y48 HydrophobicContact CD1-CD2 4.07Å; I21-Y48 HydrophobicContact CD1-CG 3.71Å; I21-Y48 HydrophobicContact CG1-CD1 3.79Å; I21-Y48 HydrophobicContact CG1-CE1 4.49Å; I21-Y48 HydrophobicContact CG1-CG 3.87Å; I21-Y48 HydrophobicContact CG2-CD1 3.82Å; I21-Y48 HydrophobicContact CG2-CE1 3.63Å; I21-Y48 HydrophobicContact CG2-CG 4.36Å
22E97.4Very high94.7Very high63 Ų6360.8 Ų60.829%0.29431%0.307SS..EExtended strand (participates in β ladder)trans-83.9131.9-179.4-169.5-170.7124.800111.7K27 W29 Y48E22-K27 WeakPolarHBondContact OE1-CD 3.25Å; E22-K27 WeakPolarHBondContact OE1-CE 3.32Å; E22-K27 IonicContact OE1-NZ 3.32Å; E22-K27 PolarHBondContact OE1-NZ 3.05Å; E22-W29 HydrophobicContact CB-CD2 3.94Å; E22-W29 HydrophobicContact CB-CE3 4.34Å; E22-W29 HydrophobicContact CB-CG 4.44Å; E22-W29 HydrophobicContact CB-CH2 4.19Å; E22-W29 HydrophobicContact CB-CZ2 3.76Å; E22-W29 HydrophobicContact CB-CZ3 4.45Å; E22-W29 HydrophobicContact CG-CD2 4.43Å; E22-W29 HydrophobicContact CG-CZ2 4.26Å; E22-W29 WeakPolarHBondContact OE2-CZ2 3.49Å; E22-W29 PolarHBondContact OE2-NE1 3.38Å; E22-Y48 WeakPolarHBondContact O-CD1 3.38Å
23C97.8Very high94.5Very high0 Ų060 Ų600%031%0.312CS..  trans-82.6121.8173.3177.30000111.8I25 C26 K27 D28 F30 Y48 C50C23-I25 PolarHBondContact O-N 3.11Å; C23-C26 VanDerWaalsContact CB-SG 3.55Å; C23-C26 PolarHBondContact O-N 3.34Å; C23-K27 VanDerWaalsContact O-CA 3.32Å; C23-K27 WeakPolarHBondContact O-CA 3.33Å; C23-K27 PolarHBondContact O-N 2.74Å; C23-D28 PolarHBondContact N-O 3.5Å; C23-F30 HydrophobicContact CB-CD2 3.99Å; C23-F30 HydrophobicContact CB-CE2 3.56Å; C23-Y48 CarbonylContact C-O 3.56Å; C23-Y48 WeakPolarHBondContact CA-O 3.46Å; C23-Y48 HydrophobicContact CB-CD1 4.22Å; C23-Y48 HydrophobicContact CB-CE1 4.34Å; C23-C50 HydrophobicContact CB-CB 3.93Å; C23-C50 PolarHBondContact SG-N 3.47Å
24D97.8Very high94.5Very high65 Ų6559.1 Ų59.135%0.34831%0.307SS..THydrogen-bonded Turntrans-65.2-22.6-176.2-85.8-62.9000115.4K27 V47 Y48D24-K27 WeakPolarHBondContact O-CE 3.42Å; D24-K27 IonicContact OD1-NZ 2.83Å; D24-K27 PolarHBondContact OD1-NZ 3.16Å; D24-V47 HydrophobicContact CB-CG1 3.57Å; D24-V47 WeakPolarHBondContact OD2-CA 3.44Å; D24-V47 WeakPolarHBondContact OD2-CG1 3.43Å; D24-Y48 PolarHBondContact N-O 2.96Å; D24-Y48 PolarHBondContact OD2-N 2.92Å; D24-Y48 VanDerWaalsContact OD2-N 3.14Å
25I97.6Very high94.6Very high70 Ų7053.1 Ų53.136%0.35929%0.285SS..THydrogen-bonded Turntrans-84.7-45.8179.4-59.1-58.6000111.9C23 C53 H57C23-I25 PolarHBondContact O-N 3.11Å; I25-C53 HydrophobicContact CB-CB 3.87Å; I25-C53 HydrophobicContact CG1-CB 4.12Å; I25-C53 HydrophobicContact CG2-CB 4.06Å; I25-H57 HydrophobicContact CD1-CB 4.1Å; I25-H57 HydrophobicContact CG1-CB 4.15Å
26C96.9Very high94.6Very high58 Ų5858.6 Ų58.639%0.39231%0.308SS..THydrogen-bonded Turntrans-107.5-9.4-17269.90000115C23 D28C23-C26 VanDerWaalsContact CB-SG 3.55Å; C23-C26 PolarHBondContact O-N 3.34Å; C26-D28 PolarHBondContact O-N 3.16Å; C26-D28 VanDerWaalsContact O-N 3.12Å
27K97.1Very high94.7Very high114 Ų11453.6 Ų53.650%0.49628%0.278SS..  trans56.624.9178.2-54.3-63.9177.6-175.80114.3E22 C23 D24E22-K27 WeakPolarHBondContact OE1-CD 3.25Å; E22-K27 WeakPolarHBondContact OE1-CE 3.32Å; E22-K27 IonicContact OE1-NZ 3.32Å; E22-K27 PolarHBondContact OE1-NZ 3.05Å; C23-K27 VanDerWaalsContact O-CA 3.32Å; C23-K27 WeakPolarHBondContact O-CA 3.33Å; C23-K27 PolarHBondContact O-N 2.74Å; D24-K27 WeakPolarHBondContact O-CE 3.42Å; D24-K27 IonicContact OD1-NZ 2.83Å; D24-K27 PolarHBondContact OD1-NZ 3.16Å
28D97.1Very high94.7Very high30 Ų3050.8 Ų50.816%0.1625%0.254CS..  trans-93.9153.2166.3-166.2-10000108.9C8 R11 C23 C26 F30C8-D28 PolarHBondContact N-OD1 3.37Å; C8-D28 VanDerWaalsContact N-OD1 3.13Å; R11-D28 IonicContact CZ-OD2 3.81Å; R11-D28 IonicContact NH1-OD2 2.82Å; R11-D28 PolarHBondContact NH1-OD2 2.86Å; R11-D28 IonicContact NH2-OD2 3.9Å; C23-D28 PolarHBondContact N-O 3.5Å; C26-D28 PolarHBondContact O-N 3.16Å; C26-D28 VanDerWaalsContact O-N 3.12Å; D28-F30 HydrophobicContact CB-CE2 3.83Å; D28-F30 HydrophobicContact CB-CZ 3.96Å; D28-F30 WeakPolarHBondContact O-CD2 3.38Å; D28-F30 WeakPolarHBondContact O-CE2 3.24Å
29W97.3Very high94.6Very high101 Ų10151 Ų5138%0.38326%0.258SS..EExtended strand (participates in β ladder)trans-105.2134.8-176.1-78.973.1000110.6Y7 C8 M20 E22Y7-W29 HydrophobicContact CD1-CB 4Å; Y7-W29 HydrophobicContact CG-CB 4.41Å; C8-W29 WeakPolarHBondContact CA-O 3.37Å; C8-W29 VanDerWaalsContact CB-O 3.32Å; C8-W29 WeakPolarHBondContact CB-O 3.18Å; C8-W29 PolarHBondContact N-O 3.23Å; M20-W29 HydrophobicContact CB-CE3 3.9Å; M20-W29 HydrophobicContact CE-CB 3.87Å; M20-W29 WeakPolarHBondContact CE-O 3.09Å; E22-W29 HydrophobicContact CB-CD2 3.94Å; E22-W29 HydrophobicContact CB-CE3 4.34Å; E22-W29 HydrophobicContact CB-CG 4.44Å; E22-W29 HydrophobicContact CB-CH2 4.19Å; E22-W29 HydrophobicContact CB-CZ2 3.76Å; E22-W29 HydrophobicContact CB-CZ3 4.45Å; E22-W29 HydrophobicContact CG-CD2 4.43Å; E22-W29 HydrophobicContact CG-CZ2 4.26Å; E22-W29 WeakPolarHBondContact OE2-CZ2 3.49Å; E22-W29 PolarHBondContact OE2-NE1 3.38Å
30F97.5Very high94.1Very high5 Ų548.3 Ų48.32%0.02225%0.246CC..EExtended strand (participates in β ladder)trans-120.9123.6-172.5-64.1-92.1000110.9C8 V9 M20 I21 C23 D28 G32 V35 Y48 C50C8-F30 HydrophobicContact CB-CD1 4.48Å; V9-F30 HydrophobicContact CG1-CD1 4.24Å; V9-F30 HydrophobicContact CG1-CE1 3.9Å; M20-F30 CarbonylContact C-O 3.49Å; M20-F30 WeakPolarHBondContact CA-O 3.3Å; I21-F30 PolarHBondContact N-O 3.38Å; I21-F30 PolarHBondContact O-N 2.68Å; C23-F30 HydrophobicContact CB-CD2 3.99Å; C23-F30 HydrophobicContact CB-CE2 3.56Å; D28-F30 HydrophobicContact CB-CE2 3.83Å; D28-F30 HydrophobicContact CB-CZ 3.96Å; D28-F30 WeakPolarHBondContact O-CD2 3.38Å; D28-F30 WeakPolarHBondContact O-CE2 3.24Å; F30-G32 PolarHBondContact O-N 3.32Å; F30-V35 HydrophobicContact CB-CG1 3.78Å; F30-V35 HydrophobicContact CB-CG2 4.07Å; F30-V35 HydrophobicContact CD1-CG1 3.76Å; F30-V35 HydrophobicContact CG-CG1 4.04Å; F30-Y48 HydrophobicContact CB-CE1 4.38Å; F30-Y48 HydrophobicContact CD2-CE1 4.09Å; F30-Y48 HydrophobicContact CG-CE1 4.42Å; F30-C50 HydrophobicContact CD1-CB 4.15Å; F30-C50 HydrophobicContact CD2-CB 3.81Å; F30-C50 HydrophobicContact CE1-CB 3.89Å; F30-C50 HydrophobicContact CE2-CB 3.53Å; F30-C50 HydrophobicContact CG-CB 4.14Å; F30-C50 HydrophobicContact CZ-CB 3.59Å; F30-C50 WeakPolarHBondContact CZ-SG 3.28Å
31H95.8Very high93.7Very high1 Ų150 Ų501%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-58.3127.1168.4-59111.1000109.2C8 C10 R18 F19 S33 C34 V35C8-H31 PolarHBondContact SG-N 2.93Å; C10-H31 PolarHBondContact SG-ND1 2.66Å; C10-H31 VanDerWaalsContact SG-ND1 3.38Å; R18-H31 VanDerWaalsContact CZ-CD2 3.48Å; R18-H31 PolarHBondContact NH1-CE1 3.49Å; R18-H31 PolarHBondContact NH1-NE2 2.82Å; F19-H31 WeakPolarHBondContact O-CA 3.32Å; H31-S33 PolarHBondContact O-N 3.05Å; H31-S33 VanDerWaalsContact O-N 3.17Å; H31-C34 HydrophobicContact CB-CB 4.19Å; H31-C34 WeakPolarHBondContact O-CA 3.47Å; H31-C34 WeakPolarHBondContact O-CB 3.34Å; H31-C34 PolarHBondContact O-N 3.34Å; H31-V35 PolarHBondContact O-N 2.99Å
32G92.9Very high93.3Very high1 Ų150.2 Ų50.21%0.0126%0.258CS..Hα-helixtrans-53.6-41.5-175.600000113.3F19 F30 C34 V35 H36 V37F19-G32 PolarHBondContact O-N 3.2Å; F30-G32 PolarHBondContact O-N 3.32Å; G32-C34 PolarHBondContact O-N 3.44Å; G32-V35 CarbonylContact O-C 3.58Å; G32-V35 WeakPolarHBondContact O-CG2 3.44Å; G32-V35 PolarHBondContact O-N 3.04Å; G32-V35 VanDerWaalsContact O-N 3.07Å; G32-H36 PolarHBondContact O-N 3.13Å; G32-V37 CarbonylContact C-O 3.59Å; G32-V37 VanDerWaalsContact C-O 3.27Å; G32-V37 WeakPolarHBondContact CA-O 3.24Å; G32-V37 PolarHBondContact O-N 2.95Å
33S91.1Very high92.9Very high84 Ų8449.5 Ų49.559%0.58726%0.258SS*.Hα-helixtrans-66.5-16.717654.70000115.4H31H31-S33 PolarHBondContact O-N 3.05Å; H31-S33 VanDerWaalsContact O-N 3.17Å
34C94.3Very high92.6Very high43 Ų4350 Ų5029%0.29126%0.261SS..Hα-helixtrans-90.8-8173.4-64.10000113.5C8 V9 H31 G32C8-C34 VanDerWaalsContact SG-CB 3.59Å; V9-C34 HydrophobicContact CG2-CB 4.06Å; H31-C34 HydrophobicContact CB-CB 4.19Å; H31-C34 WeakPolarHBondContact O-CA 3.47Å; H31-C34 WeakPolarHBondContact O-CB 3.34Å; H31-C34 PolarHBondContact O-N 3.34Å; G32-C34 PolarHBondContact O-N 3.44Å
35V94.8Very high92.4Very high15 Ų1547.9 Ų47.99%0.09125%0.25CC..Hα-helixtrans-131.67.2-178.5-65.70000113.4F30 H31 G32 V37 Y48 P51F30-V35 HydrophobicContact CB-CG1 3.78Å; F30-V35 HydrophobicContact CB-CG2 4.07Å; F30-V35 HydrophobicContact CD1-CG1 3.76Å; F30-V35 HydrophobicContact CG-CG1 4.04Å; H31-V35 PolarHBondContact O-N 2.99Å; G32-V35 CarbonylContact O-C 3.58Å; G32-V35 WeakPolarHBondContact O-CG2 3.44Å; G32-V35 PolarHBondContact O-N 3.04Å; G32-V35 VanDerWaalsContact O-N 3.07Å; V35-V37 VanDerWaalsContact C-N 3.3Å; V35-V37 HydrophobicContact CG2-CB 4.25Å; V35-V37 HydrophobicContact CG2-CG2 3.97Å; V35-V37 PolarHBondContact O-N 2.82Å; V35-Y48 VanDerWaalsContact CB-OH 3.29Å; V35-Y48 WeakPolarHBondContact CB-OH 3.27Å; V35-Y48 VanDerWaalsContact CG2-OH 3.29Å; V35-Y48 WeakPolarHBondContact CG2-OH 3.44Å; V35-P51 HydrophobicContact CG1-CG 4.31Å
36H90.5Very high92.3Very high174 Ų17449.5 Ų49.581%0.80626%0.259SS*.THydrogen-bonded Turntrans58.235.1-177.9-50.5-58.1000114.7G32G32-H36 PolarHBondContact O-N 3.13Å
37V91.4Very high92.1Very high19 Ų1948.5 Ų48.512%0.11525%0.251CS..  trans-101.6113.1167.4-179.10000108.2F19 I21 G32 V35 I45 Y48F19-V37 HydrophobicContact CE1-CB 4.44Å; F19-V37 HydrophobicContact CE1-CG1 4.02Å; F19-V37 WeakPolarHBondContact CE1-O 3.25Å; F19-V37 HydrophobicContact CZ-CG1 4.28Å; I21-V37 HydrophobicContact CD1-CG1 4.43Å; G32-V37 CarbonylContact C-O 3.59Å; G32-V37 VanDerWaalsContact C-O 3.27Å; G32-V37 WeakPolarHBondContact CA-O 3.24Å; G32-V37 PolarHBondContact O-N 2.95Å; V35-V37 VanDerWaalsContact C-N 3.3Å; V35-V37 HydrophobicContact CG2-CB 4.25Å; V35-V37 HydrophobicContact CG2-CG2 3.97Å; V35-V37 PolarHBondContact O-N 2.82Å; V37-I45 HydrophobicContact CG1-CD1 3.97Å; V37-I45 HydrophobicContact CG2-CD1 4.49Å; V37-Y48 HydrophobicContact CG2-CE2 3.89Å
38E87.5Confident92.2Very high43 Ų4343.6 Ų43.620%0.20123%0.23CC..  trans-82151.4174.4-58.1159.5-166.100109.6H40 H41 A42 M173E38-H40 VanDerWaalsContact C-N 3.31Å; E38-H40 PolarHBondContact O-N 3.24Å; E38-H40 IonicContact OE2-CE1 2.66Å; E38-H40 PolarHBondContact OE2-CE1 2.88Å; E38-H40 IonicContact OE2-NE2 3.28Å; E38-H41 WeakPolarHBondContact O-CB 3.33Å; E38-H41 PolarHBondContact O-N 3.16Å; E38-H41 IonicContact OE2-CE1 2.7Å; E38-H41 PolarHBondContact OE2-CE1 2.89Å; E38-H41 VanDerWaalsContact OE2-CE1 3.3Å; E38-H41 IonicContact OE2-ND1 3.14Å; E38-H41 PolarHBondContact OE2-ND1 2.87Å; E38-A42 PolarHBondContact O-N 3.41Å; E38-M173 WeakPolarHBondContact OE2-CE 3.46Å
39E87.7Confident92.2Very high84 Ų8442.9 Ų42.939%0.39323%0.225SC..Hα-helixtrans-55.5-42.2-172.3-176.3175.8-131.900113F19 H41 A42 K172F19-E39 HydrophobicContact CD1-CB 4.49Å; F19-E39 HydrophobicContact CG-CB 4.4Å; E39-H41 VanDerWaalsContact C-N 3.26Å; E39-H41 PolarHBondContact O-N 3.41Å; E39-A42 VanDerWaalsContact O-CB 3.28Å; E39-A42 WeakPolarHBondContact O-CB 3.07Å; E39-A42 PolarHBondContact O-N 2.91Å; E39-A42 VanDerWaalsContact O-N 3.16Å; E39-K172 PolarHBondContact OE2-N 3.35Å
40H82.4Confident92.2Very high6 Ų638.1 Ų38.13%0.02821%0.207CC..Hα-helixtrans-71.8-14178.873.4-104.4000114.6E38 K189E38-H40 VanDerWaalsContact C-N 3.31Å; E38-H40 PolarHBondContact O-N 3.24Å; E38-H40 IonicContact OE2-CE1 2.66Å; E38-H40 PolarHBondContact OE2-CE1 2.88Å; E38-H40 IonicContact OE2-NE2 3.28Å; H40-K189 PolarHBondContact O-NZ 2.86Å
41H86.3Confident92.2Very high54 Ų5441.1 Ų41.125%0.2523%0.227CC..Hα-helixtrans-85.5-23.8171.9-72110.5000111.7E38 E39 V43 D44E38-H41 WeakPolarHBondContact O-CB 3.33Å; E38-H41 PolarHBondContact O-N 3.16Å; E38-H41 IonicContact OE2-CE1 2.7Å; E38-H41 PolarHBondContact OE2-CE1 2.89Å; E38-H41 VanDerWaalsContact OE2-CE1 3.3Å; E38-H41 IonicContact OE2-ND1 3.14Å; E38-H41 PolarHBondContact OE2-ND1 2.87Å; E39-H41 VanDerWaalsContact C-N 3.26Å; E39-H41 PolarHBondContact O-N 3.41Å; H41-V43 VanDerWaalsContact C-N 3.27Å; H41-V43 PolarHBondContact O-N 3.07Å; H41-D44 WeakPolarHBondContact O-CB 3.33Å; H41-D44 PolarHBondContact O-N 3.1Å
42A88.6Confident92.2Very high24 Ų2446.4 Ų46.420%0.19826%0.256CS..Hα-helixtrans-60.1-36.3-176.500000113F19 E38 E39 D44 I45F19-A42 HydrophobicContact CE1-CB 4.31Å; F19-A42 HydrophobicContact CE2-CB 3.76Å; F19-A42 HydrophobicContact CZ-CB 3.4Å; E38-A42 PolarHBondContact O-N 3.41Å; E39-A42 VanDerWaalsContact O-CB 3.28Å; E39-A42 WeakPolarHBondContact O-CB 3.07Å; E39-A42 PolarHBondContact O-N 2.91Å; E39-A42 VanDerWaalsContact O-N 3.16Å; A42-D44 PolarHBondContact O-N 3.24Å; A42-I45 PolarHBondContact O-N 3.07Å
43V89.4Confident92.4Very high48 Ų4847 Ų4729%0.29126%0.259SS..THydrogen-bonded Turntrans-65.9-25.5176.671.20000112.9H41 K63H41-V43 VanDerWaalsContact C-N 3.27Å; H41-V43 PolarHBondContact O-N 3.07Å; V43-K63 WeakPolarHBondContact O-CD 3.36Å; V43-K63 PolarHBondContact O-NZ 3.36Å
44D91.6Very high92.6Very high12 Ų1246 Ų466%0.06425%0.247CC..THydrogen-bonded Turntrans-83.5-17.2-176.6-50.5-38.6000112.4H41 A42 M62 K63 Y73 K189H41-D44 WeakPolarHBondContact O-CB 3.33Å; H41-D44 PolarHBondContact O-N 3.1Å; A42-D44 PolarHBondContact O-N 3.24Å; D44-M62 HydrophobicContact CB-CE 3.6Å; D44-K63 WeakPolarHBondContact O-CB 3.1Å; D44-K63 PolarHBondContact O-N 3.26Å; D44-Y73 VanDerWaalsContact CA-OH 3.25Å; D44-Y73 WeakPolarHBondContact CA-OH 3.36Å; D44-Y73 VanDerWaalsContact CB-OH 3.31Å; D44-Y73 WeakPolarHBondContact CB-OH 3.49Å; D44-Y73 PolarHBondContact OD1-OH 3.06Å; D44-K189 VanDerWaalsContact CG-CE 3.47Å; D44-K189 VanDerWaalsContact OD1-CE 3.23Å; D44-K189 WeakPolarHBondContact OD1-CE 3.44Å; D44-K189 IonicContact OD1-NZ 3.79Å; D44-K189 PolarHBondContact OD1-NZ 3.43Å; D44-K189 WeakPolarHBondContact OD2-CE 3.42Å; D44-K189 IonicContact OD2-NZ 3.66Å; D44-K189 PolarHBondContact OD2-NZ 2.99Å
45I93.5Very high92.7Very high20 Ų2050 Ų5010%0.10327%0.27CS..EExtended strand (participates in β ladder)trans-80.4134.6178.5-59166.5000108.9I21 V37 A42 Y48 M62 K63I21-I45 HydrophobicContact CD1-CD1 3.83Å; V37-I45 HydrophobicContact CG1-CD1 3.97Å; V37-I45 HydrophobicContact CG2-CD1 4.49Å; A42-I45 PolarHBondContact O-N 3.07Å; I45-Y48 HydrophobicContact CD1-CD2 4.23Å; I45-M62 HydrophobicContact CG1-CE 3.87Å; I45-M62 HydrophobicContact CG1-SD 3.84Å; I45-K63 WeakPolarHBondContact O-CE 3.33Å; I45-K63 PolarHBondContact O-NZ 3.49Å
46D93.6Very high92.8Very high103 Ų10357.2 Ų57.255%0.55130%0.3SS*.EExtended strand (participates in β ladder)trans-97.5-41.5175.6-160.447.2000111L61 K63D46-L61 WeakPolarHBondContact CB-O 3.32Å; D46-L61 PolarHBondContact N-O 2.92Å; D46-K63 HydrophobicContact CB-CG 3.64Å
47V94.6Very high93.1Very high38 Ų3854 Ų5423%0.2329%0.285CS..EExtended strand (participates in β ladder)trans-139.4117.8177.5-178.20000107.9D24 S60 L61D24-V47 HydrophobicContact CB-CG1 3.57Å; D24-V47 WeakPolarHBondContact OD2-CA 3.44Å; D24-V47 WeakPolarHBondContact OD2-CG1 3.43Å; V47-S60 CarbonylContact O-C 3.55Å; V47-S60 WeakPolarHBondContact O-CA 3.29Å; V47-L61 HydrophobicContact CB-CB 4Å; V47-L61 HydrophobicContact CB-CD1 4.12Å; V47-L61 HydrophobicContact CB-CG 4.13Å; V47-L61 HydrophobicContact CG2-CB 4.38Å; V47-L61 HydrophobicContact CG2-CD1 4.06Å; V47-L61 PolarHBondContact N-O 2.72Å; V47-L61 PolarHBondContact O-N 3.03Å
48Y97.6Very high93.2Very high11 Ų1154.5 Ų54.54%0.04330%0.295CS..  trans-93.5126.4-176.5176.4-116.9000111.8I21 E22 C23 D24 F30 V35 V37 I45 C50 S60I21-Y48 HydrophobicContact CB-CD1 4.33Å; I21-Y48 HydrophobicContact CD1-CD1 4.12Å; I21-Y48 HydrophobicContact CD1-CD2 4.07Å; I21-Y48 HydrophobicContact CD1-CG 3.71Å; I21-Y48 HydrophobicContact CG1-CD1 3.79Å; I21-Y48 HydrophobicContact CG1-CE1 4.49Å; I21-Y48 HydrophobicContact CG1-CG 3.87Å; I21-Y48 HydrophobicContact CG2-CD1 3.82Å; I21-Y48 HydrophobicContact CG2-CE1 3.63Å; I21-Y48 HydrophobicContact CG2-CG 4.36Å; E22-Y48 WeakPolarHBondContact O-CD1 3.38Å; C23-Y48 CarbonylContact C-O 3.56Å; C23-Y48 WeakPolarHBondContact CA-O 3.46Å; C23-Y48 HydrophobicContact CB-CD1 4.22Å; C23-Y48 HydrophobicContact CB-CE1 4.34Å; D24-Y48 PolarHBondContact N-O 2.96Å; D24-Y48 PolarHBondContact OD2-N 2.92Å; D24-Y48 VanDerWaalsContact OD2-N 3.14Å; F30-Y48 HydrophobicContact CB-CE1 4.38Å; F30-Y48 HydrophobicContact CD2-CE1 4.09Å; F30-Y48 HydrophobicContact CG-CE1 4.42Å; V35-Y48 VanDerWaalsContact CB-OH 3.29Å; V35-Y48 WeakPolarHBondContact CB-OH 3.27Å; V35-Y48 VanDerWaalsContact CG2-OH 3.29Å; V35-Y48 WeakPolarHBondContact CG2-OH 3.44Å; V37-Y48 HydrophobicContact CG2-CE2 3.89Å; I45-Y48 HydrophobicContact CD1-CD2 4.23Å; Y48-C50 HydrophobicContact CE1-CB 3.97Å; Y48-C50 WeakPolarHBondContact OH-CA 3.45Å; Y48-S60 VanDerWaalsContact CD2-OG 3.26Å; Y48-S60 WeakPolarHBondContact CD2-OG 3.43Å
49H97.6Very high93.6Very high15 Ų1556.6 Ų56.67%0.06931%0.312CS..  trans-111.9117.7171.5-62.7168.8000109.2G58 P59 S60H49-G58 PolarHBondContact ND1-O 2.86Å; H49-P59 PolarHBondContact ND1-O 3.29Å; H49-S60 PolarHBondContact N-OG 3.2Å; H49-S60 PolarHBondContact O-OG 2.85Å
50C97.1Very high94Very high1 Ų154 Ų541%0.00730%0.303CS..  trans-69.2161.3174.675.50000111.8C23 F30 Y48 N52 C53 D54C23-C50 HydrophobicContact CB-CB 3.93Å; C23-C50 PolarHBondContact SG-N 3.47Å; F30-C50 HydrophobicContact CD1-CB 4.15Å; F30-C50 HydrophobicContact CD2-CB 3.81Å; F30-C50 HydrophobicContact CE1-CB 3.89Å; F30-C50 HydrophobicContact CE2-CB 3.53Å; F30-C50 HydrophobicContact CG-CB 4.14Å; F30-C50 HydrophobicContact CZ-CB 3.59Å; F30-C50 WeakPolarHBondContact CZ-SG 3.28Å; Y48-C50 HydrophobicContact CE1-CB 3.97Å; Y48-C50 WeakPolarHBondContact OH-CA 3.45Å; C50-N52 PolarHBondContact O-N 3.08Å; C50-C53 WeakPolarHBondContact O-CA 3.12Å; C50-C53 PolarHBondContact O-N 3.32Å; C50-D54 PolarHBondContact O-N 2.78Å
51P96.8Very high94.6Very high68 Ų6858.1 Ų58.144%0.44233%0.325SS..Hα-helixtrans-54.8-27.9-173.2-3036.3000115.9V35V35-P51 HydrophobicContact CG1-CG 4.31Å
52N96.7Very high94.9Very high112 Ų11260.7 Ų60.760%0.59934%0.338SS*.Hα-helixtrans-78.8-22.1176.5-69.8-33000113.9C50C50-N52 PolarHBondContact O-N 3.08Å
53C97.7Very high95.1Very high13 Ų1362.8 Ų62.89%0.08834%0.343CS..Hα-helixtrans-95-35.2178.5-70.10000111.5I25 C50 V55 K56 H57I25-C53 HydrophobicContact CB-CB 3.87Å; I25-C53 HydrophobicContact CG1-CB 4.12Å; I25-C53 HydrophobicContact CG2-CB 4.06Å; C50-C53 WeakPolarHBondContact O-CA 3.12Å; C50-C53 PolarHBondContact O-N 3.32Å; C53-V55 VanDerWaalsContact C-N 3.34Å; C53-V55 PolarHBondContact O-N 3.43Å; C53-K56 PolarHBondContact O-N 3.2Å; C53-H57 PolarHBondContact O-CD2 3.25Å; C53-H57 VanDerWaalsContact O-CD2 3.31Å; C53-H57 PolarHBondContact O-N 3Å
54D95.7Very high95.3Very high62 Ų6270 Ų7033%0.33237%0.365SS..Hα-helixtrans-47-55.2175.8-170-40.7000111.6C50 K56 H57 G58 P59C50-D54 PolarHBondContact O-N 2.78Å; D54-K56 PolarHBondContact O-N 2.86Å; D54-H57 PolarHBondContact O-N 3.08Å; D54-H57 VanDerWaalsContact O-N 3.17Å; D54-G58 WeakPolarHBondContact CA-O 3.44Å; D54-G58 CarbonylContact O-C 3.59Å; D54-G58 WeakPolarHBondContact O-CA 3.41Å; D54-G58 PolarHBondContact O-N 3.11Å; D54-P59 WeakPolarHBondContact OD2-CA 3.38Å
55V96.3Very high95.5Very high128 Ų12874 Ų7478%0.77638%0.379SS*.Hα-helixtrans-53.8-19.6178.8178.60000114.3C53C53-V55 VanDerWaalsContact C-N 3.34Å; C53-V55 PolarHBondContact O-N 3.43Å
56K96.4Very high95.6Very high167 Ų16776.4 Ų76.473%0.72639%0.392SS*.Hα-helixtrans-113.5-24.3-177.3-65.2175.7-177.2173.70114.3C53 D54C53-K56 PolarHBondContact O-N 3.2Å; D54-K56 PolarHBondContact O-N 2.86Å
57H95.5Very high95.7Very high105 Ų10571.5 Ų71.549%0.48637%0.366SS..Hα-helixtrans-124.40-170.4-60.8-81.2000113.4I25 C53 D54I25-H57 HydrophobicContact CD1-CB 4.1Å; I25-H57 HydrophobicContact CG1-CB 4.15Å; C53-H57 PolarHBondContact O-CD2 3.25Å; C53-H57 VanDerWaalsContact O-CD2 3.31Å; C53-H57 PolarHBondContact O-N 3Å; D54-H57 PolarHBondContact O-N 3.08Å; D54-H57 VanDerWaalsContact O-N 3.17Å
58G95.3Very high95.9Very high31 Ų3176.5 Ų76.532%0.3238%0.381SS..  trans84.2168.9-170.600000112H49 D54H49-G58 PolarHBondContact ND1-O 2.86Å; D54-G58 WeakPolarHBondContact CA-O 3.44Å; D54-G58 CarbonylContact O-C 3.59Å; D54-G58 WeakPolarHBondContact O-CA 3.41Å; D54-G58 PolarHBondContact O-N 3.11Å
59P95.8Very high95.8Very high87 Ų8776.8 Ų76.857%0.56538%0.383SS*.SBendtrans-65167.3-178.428.1-36.4000113H49 D54H49-P59 PolarHBondContact ND1-O 3.29Å; D54-P59 WeakPolarHBondContact OD2-CA 3.38Å
60S95.6Very high95.9Very high28 Ų2877 Ų7720%0.19638%0.383CS..PPolyproline II helixtrans-53.6139.4172.5-63.50000111.3V47 Y48 H49V47-S60 CarbonylContact O-C 3.55Å; V47-S60 WeakPolarHBondContact O-CA 3.29Å; Y48-S60 VanDerWaalsContact CD2-OG 3.26Å; Y48-S60 WeakPolarHBondContact CD2-OG 3.43Å; H49-S60 PolarHBondContact N-OG 3.2Å; H49-S60 PolarHBondContact O-OG 2.85Å
61L94.3Very high95.8Very high94 Ų9478.5 Ų78.549%0.49239%0.39SS..EExtended strand (participates in β ladder)trans-85.5124.3178-53.1-177.7000109.3D46 V47D46-L61 WeakPolarHBondContact CB-O 3.32Å; D46-L61 PolarHBondContact N-O 2.92Å; V47-L61 HydrophobicContact CB-CB 4Å; V47-L61 HydrophobicContact CB-CD1 4.12Å; V47-L61 HydrophobicContact CB-CG 4.13Å; V47-L61 HydrophobicContact CG2-CB 4.38Å; V47-L61 HydrophobicContact CG2-CD1 4.06Å; V47-L61 PolarHBondContact N-O 2.72Å; V47-L61 PolarHBondContact O-N 3.03Å
62M93.3Very high95.8Very high107 Ų10779 Ų7953%0.52739%0.388SS..EExtended strand (participates in β ladder)trans-90.2142177.2-54.2-54.3-66.800110.6D44 I45 R64D44-M62 HydrophobicContact CB-CE 3.6Å; I45-M62 HydrophobicContact CG1-CE 3.87Å; I45-M62 HydrophobicContact CG1-SD 3.84Å; M62-R64 PolarHBondContact O-N 3.44Å
63K93.5Very high95.7Very high68 Ų6874.9 Ų74.930%0.29637%0.365SS..PPolyproline II helixtrans-58.9130.1174.1-71.7177-175.4154.90110.3V43 D44 I45 D46 R65 Y73 T74V43-K63 WeakPolarHBondContact O-CD 3.36Å; V43-K63 PolarHBondContact O-NZ 3.36Å; D44-K63 WeakPolarHBondContact O-CB 3.1Å; D44-K63 PolarHBondContact O-N 3.26Å; I45-K63 WeakPolarHBondContact O-CE 3.33Å; I45-K63 PolarHBondContact O-NZ 3.49Å; D46-K63 HydrophobicContact CB-CG 3.64Å; K63-R65 PolarHBondContact O-N 2.92Å; K63-Y73 HydrophobicContact CB-CE2 3.88Å; K63-Y73 WeakPolarHBondContact O-CE2 3.45Å; K63-T74 HydrophobicContact CB-CG2 3.83Å; K63-T74 HydrophobicContact CD-CG2 4.17Å; K63-T74 HydrophobicContact CG-CG2 4.38Å
64R93.4Very high95.6Very high199 Ų19976.3 Ų76.375%0.75137%0.373SS*.PPolyproline II helixtrans-69.9127.8178.4-177.8177.7175.3160.40.3110.7M62 N66M62-R64 PolarHBondContact O-N 3.44Å; R64-N66 PolarHBondContact O-N 3.4Å
65R94.4Very high95.6Very high96 Ų9675.4 Ų75.436%0.36237%0.367SS..PPolyproline II helixtrans-68.7120.2165.6-177.7168.6-69.5-86.30.9110.3K63 N67 W68 Y73K63-R65 PolarHBondContact O-N 2.92Å; R65-N67 VanDerWaalsContact CG-O 3.24Å; R65-N67 WeakPolarHBondContact CG-O 3.21Å; R65-N67 PolarHBondContact NH1-O 3.35Å; R65-W68 VanDerWaalsContact CD-CH2 3.44Å; R65-W68 HydrophobicContact CG-CZ2 4.46Å; R65-Y73 HydrophobicContact CB-CD2 4.13Å; R65-Y73 HydrophobicContact CG-CD2 4.49Å
66N96Very high95.5Very high72 Ų7273.4 Ų73.439%0.38536%0.357SS..  trans-107.5-34.5176-65.7-28.3000111.3R64 Y73 T74R64-N66 PolarHBondContact O-N 3.4Å; N66-Y73 PolarHBondContact N-O 2.94Å; N66-T74 PolarHBondContact ND2-O 2.92Å
67N96.9Very high95.5Very high0 Ų069.8 Ų69.80%035%0.345CS..  trans-129.5172.8179.380.374.3000114R65 H69 R70 D72 Y73 E75 D77R65-N67 VanDerWaalsContact CG-O 3.24Å; R65-N67 WeakPolarHBondContact CG-O 3.21Å; R65-N67 PolarHBondContact NH1-O 3.35Å; N67-H69 PolarHBondContact OD1-N 3.16Å; N67-H69 VanDerWaalsContact OD1-N 3.07Å; N67-R70 WeakPolarHBondContact OD1-CB 3.47Å; N67-R70 PolarHBondContact OD1-N 3.07Å; N67-D72 PolarHBondContact ND2-O 3.18Å; N67-Y73 PolarHBondContact N-O 2.72Å; N67-Y73 VanDerWaalsContact N-O 3.1Å; N67-Y73 VanDerWaalsContact ND2-C 3.34Å; N67-Y73 WeakPolarHBondContact ND2-CA 3.46Å; N67-Y73 PolarHBondContact ND2-O 2.82Å; N67-E75 PolarHBondContact ND2-N 3.47Å; N67-E75 PolarHBondContact ND2-O 3.28Å; N67-D77 HydrophobicContact CB-CB 3.79Å
68W97Very high95.3Very high143 Ų14369.8 Ų69.854%0.54235%0.349SS..SBendtrans-124.32.6179.5-63.896.5000114.7R65 S88 V89R65-W68 VanDerWaalsContact CD-CH2 3.44Å; R65-W68 HydrophobicContact CG-CZ2 4.46Å; W68-S88 PolarHBondContact O-OG 3.26Å; W68-V89 HydrophobicContact CB-CG2 3.81Å; W68-V89 WeakPolarHBondContact O-CG2 3.41Å; W68-V89 PolarHBondContact O-N 2.81Å
69H97.4Very high95Very high16 Ų1671.5 Ų71.57%0.07437%0.366CS..SBendtrans-122.1-5.2-166.677.4-98.7000114.3N67 D77 K81 V83 Q84 V89N67-H69 PolarHBondContact OD1-N 3.16Å; N67-H69 VanDerWaalsContact OD1-N 3.07Å; H69-D77 IonicContact CE1-OD1 2.77Å; H69-D77 PolarHBondContact CE1-OD1 3.48Å; H69-D77 IonicContact ND1-OD1 3.3Å; H69-D77 PolarHBondContact ND1-OD1 2.99Å; H69-K81 PolarHBondContact NE2-O 3.01Å; H69-V83 HydrophobicContact CB-CG1 4.35Å; H69-V83 HydrophobicContact CB-CG2 4.26Å; H69-V83 CarbonylContact O-C 3.58Å; H69-V83 WeakPolarHBondContact O-CA 3.22Å; H69-Q84 PolarHBondContact O-N 3.26Å; H69-V89 HydrophobicContact CB-CB 3.92Å; H69-V89 HydrophobicContact CB-CG1 4.22Å; H69-V89 HydrophobicContact CB-CG2 4.03Å
70R97.8Very high94.9Very high19 Ų1971.5 Ų71.57%0.07237%0.369CS..SBendtrans-114157.5177.1-54.8-62.1-64.51704.3111.6N67 D72 E75 P82 Q84 E293N67-R70 WeakPolarHBondContact OD1-CB 3.47Å; N67-R70 PolarHBondContact OD1-N 3.07Å; R70-D72 WeakPolarHBondContact CB-O 3.44Å; R70-E75 HydrophobicContact CG-CB 4.37Å; R70-E75 WeakPolarHBondContact CG-OE2 3.43Å; R70-E75 IonicContact CZ-OE2 3.46Å; R70-E75 IonicContact NE-OE2 2.82Å; R70-E75 PolarHBondContact NE-OE2 2.97Å; R70-E75 IonicContact NH2-OE2 3.22Å; R70-P82 WeakPolarHBondContact CD-O 3.43Å; R70-P82 PolarHBondContact NH1-O 3.25Å; R70-Q84 VanDerWaalsContact CZ-CD 3.48Å; R70-Q84 VanDerWaalsContact CZ-OE1 3.23Å; R70-E293 IonicContact CZ-OE1 2.84Å; R70-E293 VanDerWaalsContact CZ-OE1 3.28Å; R70-E293 IonicContact NH1-OE1 2.87Å; R70-E293 PolarHBondContact NH1-OE1 3.32Å; R70-E293 IonicContact NH2-OE1 2.74Å; R70-E293 PolarHBondContact NH2-OE1 2.98Å
71H96.8Very high94.9Very high34 Ų3474.2 Ų74.216%0.15738%0.377CS..SBendtrans-67.6-41.8171-67.6167.5000111.6Y73 Q84 A85 A166H71-Y73 PolarHBondContact O-N 3.34Å; H71-Q84 PolarHBondContact ND1-NE2 2.76Å; H71-A85 PolarHBondContact NE2-O 3.39Å; H71-A166 PolarHBondContact CD2-O 3.1Å; H71-A166 VanDerWaalsContact CD2-O 3.3Å
72D95.7Very high95.1Very high77 Ų7772.5 Ų72.541%0.41237%0.372SS..SBendtrans-84.2100.9163.6-175.3-13.2000109.1N67 R70 T74 E75N67-D72 PolarHBondContact ND2-O 3.18Å; R70-D72 WeakPolarHBondContact CB-O 3.44Å; D72-T74 PolarHBondContact O-N 2.83Å; D72-T74 WeakPolarHBondContact OD1-CA 3.42Å; D72-T74 VanDerWaalsContact OD1-CB 3.29Å; D72-T74 WeakPolarHBondContact OD1-CB 3.23Å; D72-T74 PolarHBondContact OD1-N 3.33Å; D72-T74 PolarHBondContact OD1-OG1 2.94Å; D72-T74 PolarHBondContact OD2-OG1 2.74Å; D72-E75 HydrophobicContact CB-CG 3.9Å; D72-E75 WeakPolarHBondContact O-CG 3.24Å; D72-E75 PolarHBondContact O-N 3.18Å
73Y95.1Very high95.3Very high26 Ų2669 Ų6910%0.10236%0.356CS..THydrogen-bonded Turntrans-70.5-5.4-179.262.5-113000114.3D44 K63 R65 N66 N67 H71D44-Y73 VanDerWaalsContact CA-OH 3.25Å; D44-Y73 WeakPolarHBondContact CA-OH 3.36Å; D44-Y73 VanDerWaalsContact CB-OH 3.31Å; D44-Y73 WeakPolarHBondContact CB-OH 3.49Å; D44-Y73 PolarHBondContact OD1-OH 3.06Å; K63-Y73 HydrophobicContact CB-CE2 3.88Å; K63-Y73 WeakPolarHBondContact O-CE2 3.45Å; R65-Y73 HydrophobicContact CB-CD2 4.13Å; R65-Y73 HydrophobicContact CG-CD2 4.49Å; N66-Y73 PolarHBondContact N-O 2.94Å; N67-Y73 PolarHBondContact N-O 2.72Å; N67-Y73 VanDerWaalsContact N-O 3.1Å; N67-Y73 VanDerWaalsContact ND2-C 3.34Å; N67-Y73 WeakPolarHBondContact ND2-CA 3.46Å; N67-Y73 PolarHBondContact ND2-O 2.82Å; H71-Y73 PolarHBondContact O-N 3.34Å
74T95.6Very high95.5Very high44 Ų4466.6 Ų66.627%0.2735%0.346SS..THydrogen-bonded Turntrans-89.6-14.4177.275.90000112.7K63 N66 D72K63-T74 HydrophobicContact CB-CG2 3.83Å; K63-T74 HydrophobicContact CD-CG2 4.17Å; K63-T74 HydrophobicContact CG-CG2 4.38Å; N66-T74 PolarHBondContact ND2-O 2.92Å; D72-T74 PolarHBondContact O-N 2.83Å; D72-T74 WeakPolarHBondContact OD1-CA 3.42Å; D72-T74 VanDerWaalsContact OD1-CB 3.29Å; D72-T74 WeakPolarHBondContact OD1-CB 3.23Å; D72-T74 PolarHBondContact OD1-N 3.33Å; D72-T74 PolarHBondContact OD1-OG1 2.94Å; D72-T74 PolarHBondContact OD2-OG1 2.74Å
75E95.8Very high95.7Very high42 Ų4257.2 Ų57.220%0.19631%0.311CS..SBendtrans-57.7146.6173.8-60.3-167135.200111.2N67 R70 D72 K81N67-E75 PolarHBondContact ND2-N 3.47Å; N67-E75 PolarHBondContact ND2-O 3.28Å; R70-E75 HydrophobicContact CG-CB 4.37Å; R70-E75 WeakPolarHBondContact CG-OE2 3.43Å; R70-E75 IonicContact CZ-OE2 3.46Å; R70-E75 IonicContact NE-OE2 2.82Å; R70-E75 PolarHBondContact NE-OE2 2.97Å; R70-E75 IonicContact NH2-OE2 3.22Å; D72-E75 HydrophobicContact CB-CG 3.9Å; D72-E75 WeakPolarHBondContact O-CG 3.24Å; D72-E75 PolarHBondContact O-N 3.18Å; E75-K81 IonicContact OE1-NZ 2.88Å; E75-K81 PolarHBondContact OE1-NZ 2.67Å; E75-K81 WeakPolarHBondContact OE2-CD 3.37Å; E75-K81 IonicContact OE2-NZ 3.79Å; E75-K81 PolarHBondContact OE2-NZ 2.93Å
76P94.8Very high95.9Very high86 Ų8652.9 Ų52.956%0.55830%0.297SS*.  trans-57.8140.2176.7-24.134.5000112.9D78P76-D78 HydrophobicContact CB-CB 4.32Å; P76-D78 PolarHBondContact O-N 3.22Å
77D95.2Very high96Very high92 Ų9249.6 Ų49.649%0.49228%0.279SS..  trans-90.656.9173.5-145.88.6000109.5N67 H69N67-D77 HydrophobicContact CB-CB 3.79Å; H69-D77 IonicContact CE1-OD1 2.77Å; H69-D77 PolarHBondContact CE1-OD1 3.48Å; H69-D77 IonicContact ND1-OD1 3.3Å; H69-D77 PolarHBondContact ND1-OD1 2.99Å
78D91.8Very high96Very high104 Ų10451.9 Ų51.956%0.55630%0.295SS*.SBendtrans-98.42-174.266.68.4000114P76 S80P76-D78 HydrophobicContact CB-CB 4.32Å; P76-D78 PolarHBondContact O-N 3.22Å; D78-S80 PolarHBondContact O-N 2.84Å; D78-S80 WeakPolarHBondContact OD1-CB 3.26Å; D78-S80 PolarHBondContact OD1-N 2.88Å; D78-S80 PolarHBondContact OD1-OG 2.85Å
79G89.7Confident96.1Very high67 Ų6747 Ų4769%0.69128%0.281SS*.SBendtrans75.13-178.100000115.2K81G79-K81 VanDerWaalsContact C-N 3.28Å; G79-K81 PolarHBondContact O-N 2.84Å
80S93.1Very high96.2Very high88 Ų8847 Ų4762%0.61528%0.281SS*.  trans-72.8-17.8-179.666.90000114.3D78D78-S80 PolarHBondContact O-N 2.84Å; D78-S80 WeakPolarHBondContact OD1-CB 3.26Å; D78-S80 PolarHBondContact OD1-N 2.88Å; D78-S80 PolarHBondContact OD1-OG 2.85Å
81K95.6Very high96.2Very high84 Ų8446.3 Ų46.337%0.36528%0.279SS..SBendtrans-118.7147.5-175.2-64.3-163.4-178.4-1630112.5H69 E75 G79H69-K81 PolarHBondContact NE2-O 3.01Å; E75-K81 IonicContact OE1-NZ 2.88Å; E75-K81 PolarHBondContact OE1-NZ 2.67Å; E75-K81 WeakPolarHBondContact OE2-CD 3.37Å; E75-K81 IonicContact OE2-NZ 3.79Å; E75-K81 PolarHBondContact OE2-NZ 2.93Å; G79-K81 VanDerWaalsContact C-N 3.28Å; G79-K81 PolarHBondContact O-N 2.84Å
82P97.1Very high96.3Very high59 Ų5951.1 Ų51.138%0.38330%0.299SS..PPolyproline II helixtrans-75.1165.2176.932.8-37.2000112.3R70 E293R70-P82 WeakPolarHBondContact CD-O 3.43Å; R70-P82 PolarHBondContact NH1-O 3.25Å; P82-E293 HydrophobicContact CB-CB 4.33Å; P82-E293 HydrophobicContact CG-CB 3.68Å; P82-E293 HydrophobicContact CG-CG 3.72Å
83V98.1Very high96.4Very high34 Ų3451.7 Ų51.721%0.20630%0.299CS..PPolyproline II helixtrans-71.3135.2175.3-174.70000110.5H69 V89 F90H69-V83 HydrophobicContact CB-CG1 4.35Å; H69-V83 HydrophobicContact CB-CG2 4.26Å; H69-V83 CarbonylContact O-C 3.58Å; H69-V83 WeakPolarHBondContact O-CA 3.22Å; V83-V89 HydrophobicContact CG1-CB 4.18Å; V83-V89 HydrophobicContact CG1-CG1 3.92Å; V83-V89 HydrophobicContact CG2-CG1 3.9Å; V83-F90 HydrophobicContact CG1-CB 3.77Å
84Q98.5Very high96.5Very high16 Ų1650.5 Ų50.58%0.07530%0.295CS..PPolyproline II helixtrans-101146.4178.1-67.4-174.5-82.600113.9H69 R70 H71 T87 F90 S292 E293H69-Q84 PolarHBondContact O-N 3.26Å; R70-Q84 VanDerWaalsContact CZ-CD 3.48Å; R70-Q84 VanDerWaalsContact CZ-OE1 3.23Å; H71-Q84 PolarHBondContact ND1-NE2 2.76Å; Q84-T87 HydrophobicContact CB-CG2 4.07Å; Q84-T87 WeakPolarHBondContact O-CB 3.12Å; Q84-T87 VanDerWaalsContact O-CG2 3.24Å; Q84-T87 WeakPolarHBondContact O-CG2 3.46Å; Q84-T87 PolarHBondContact O-N 3.31Å; Q84-T87 PolarHBondContact O-OG1 3.35Å; Q84-F90 WeakPolarHBondContact O-CB 3.28Å; Q84-S292 CarbonylContact C-O 3.59Å; Q84-S292 WeakPolarHBondContact CA-O 3.39Å; Q84-S292 PolarHBondContact NE2-OG 3.17Å; Q84-E293 HydrophobicContact CG-CG 3.94Å
85A98.3Very high96.6Very high3 Ų351.8 Ų51.83%0.02530%0.298CS..THydrogen-bonded Turntrans-51139.8178.100000113.1H71 T87 F90 Q168 Y246 D248 S292H71-A85 PolarHBondContact NE2-O 3.39Å; A85-T87 PolarHBondContact O-N 3.45Å; A85-F90 HydrophobicContact CB-CE2 4.22Å; A85-F90 HydrophobicContact CB-CZ 4.26Å; A85-Q168 HydrophobicContact CB-CG 4.41Å; A85-Q168 WeakPolarHBondContact O-CG 3.49Å; A85-Y246 HydrophobicContact CB-CE1 4.34Å; A85-D248 WeakPolarHBondContact CB-OD2 3.48Å; A85-S292 PolarHBondContact N-O 3.13Å
86G97.9Very high96.7Very high5 Ų557.3 Ų57.35%0.05232%0.323CS..THydrogen-bonded Turntrans74-9.9-179.400000116.3V165G86-V165 CarbonylContact C-O 3.6Å; G86-V165 WeakPolarHBondContact CA-O 3.35Å
87T98.3Very high96.8Very high3 Ų356.9 Ų56.92%0.01831%0.31CS..SBendtrans-68.7159.3175.466.30000112.2Q84 A85 V89 F90 V91Q84-T87 HydrophobicContact CB-CG2 4.07Å; Q84-T87 WeakPolarHBondContact O-CB 3.12Å; Q84-T87 VanDerWaalsContact O-CG2 3.24Å; Q84-T87 WeakPolarHBondContact O-CG2 3.46Å; Q84-T87 PolarHBondContact O-N 3.31Å; Q84-T87 PolarHBondContact O-OG1 3.35Å; A85-T87 PolarHBondContact O-N 3.45Å; T87-V89 VanDerWaalsContact C-N 3.26Å; T87-V89 PolarHBondContact O-N 2.85Å; T87-F90 WeakPolarHBondContact O-CA 3.16Å; T87-F90 WeakPolarHBondContact O-CB 3.3Å; T87-F90 PolarHBondContact O-N 3.14Å; T87-F90 WeakPolarHBondContact OG1-CB 3.28Å; T87-F90 PolarHBondContact OG1-N 2.88Å; T87-V91 PolarHBondContact O-N 2.9Å
88S97.4Very high96.9Very high47 Ų4759.1 Ų59.133%0.32933%0.328SS..Hα-helixtrans-63.9-29.2-177.368.70000113.9W68 K92W68-S88 PolarHBondContact O-OG 3.26Å; S88-K92 VanDerWaalsContact O-CG 3.31Å; S88-K92 WeakPolarHBondContact O-CG 3.42Å; S88-K92 PolarHBondContact O-N 3.46Å
89V98.1Very high97.3Very high42 Ų4256.2 Ų56.226%0.25531%0.31SS..Hα-helixtrans-72.9-41171.8172.90000110.7W68 H69 V83 T87 K92 Q93W68-V89 HydrophobicContact CB-CG2 3.81Å; W68-V89 WeakPolarHBondContact O-CG2 3.41Å; W68-V89 PolarHBondContact O-N 2.81Å; H69-V89 HydrophobicContact CB-CB 3.92Å; H69-V89 HydrophobicContact CB-CG1 4.22Å; H69-V89 HydrophobicContact CB-CG2 4.03Å; V83-V89 HydrophobicContact CG1-CB 4.18Å; V83-V89 HydrophobicContact CG1-CG1 3.92Å; V83-V89 HydrophobicContact CG2-CG1 3.9Å; T87-V89 VanDerWaalsContact C-N 3.26Å; T87-V89 PolarHBondContact O-N 2.85Å; V89-K92 PolarHBondContact O-N 2.91Å; V89-Q93 WeakPolarHBondContact O-CG 3.46Å; V89-Q93 PolarHBondContact O-N 3.03Å
90F98.6Very high97.7Very high15 Ų1555 Ų557%0.06629%0.29CS..Hα-helixtrans-59.5-48.9174.9174.6-89.7000112.3V83 Q84 A85 T87 K92 Q93 L94 Y246 F295V83-F90 HydrophobicContact CG1-CB 3.77Å; Q84-F90 WeakPolarHBondContact O-CB 3.28Å; A85-F90 HydrophobicContact CB-CE2 4.22Å; A85-F90 HydrophobicContact CB-CZ 4.26Å; T87-F90 WeakPolarHBondContact O-CA 3.16Å; T87-F90 WeakPolarHBondContact O-CB 3.3Å; T87-F90 PolarHBondContact O-N 3.14Å; T87-F90 WeakPolarHBondContact OG1-CB 3.28Å; T87-F90 PolarHBondContact OG1-N 2.88Å; F90-K92 VanDerWaalsContact C-N 3.33Å; F90-K92 PolarHBondContact O-N 3.44Å; F90-Q93 PolarHBondContact O-N 3.08Å; F90-Q93 VanDerWaalsContact O-N 3.17Å; F90-L94 HydrophobicContact CE1-CB 4.46Å; F90-L94 HydrophobicContact CE1-CD2 3.81Å; F90-L94 HydrophobicContact CZ-CD2 4.32Å; F90-L94 WeakPolarHBondContact O-CB 3.43Å; F90-L94 PolarHBondContact O-N 2.83Å; F90-Y246 HydrophobicContact CD1-CD1 4.35Å; F90-Y246 HydrophobicContact CD1-CE1 4.43Å; F90-Y246 AromaticContact CE1-CD1 3.57Å; F90-Y246 HydrophobicContact CE1-CD1 3.57Å; F90-Y246 HydrophobicContact CE1-CD2 4.13Å; F90-Y246 AromaticContact CE1-CE1 3.33Å; F90-Y246 HydrophobicContact CE1-CE1 3.33Å; F90-Y246 AromaticContact CE1-CE2 3.96Å; F90-Y246 HydrophobicContact CE1-CE2 3.96Å; F90-Y246 AromaticContact CE1-CG 3.95Å; F90-Y246 HydrophobicContact CE1-CG 3.95Å; F90-Y246 AromaticContact CE1-CZ 3.55Å; F90-Y246 HydrophobicContact CZ-CD1 4.25Å; F90-Y246 AromaticContact CZ-CE1 3.55Å; F90-Y246 HydrophobicContact CZ-CE1 3.55Å; F90-Y246 HydrophobicContact CZ-CE2 4.33Å; F90-Y246 AromaticContact CZ-CZ 3.6Å; F90-F295 AromaticContact CE2-CD2 3.87Å; F90-F295 HydrophobicContact CE2-CD2 3.87Å; F90-F295 AromaticContact CZ-CD2 3.78Å; F90-F295 HydrophobicContact CZ-CD2 3.78Å; F90-F295 HydrophobicContact CZ-CE2 4.23Å
91V98.5Very high97.9Very high5 Ų553.6 Ų53.63%0.0328%0.28CS..Hα-helixtrans-63.6-40.8-178.3176.20000111T87 L94 Q95 D244 L325T87-V91 PolarHBondContact O-N 2.9Å; V91-L94 PolarHBondContact O-N 2.94Å; V91-Q95 HydrophobicContact CG1-CG 4.44Å; V91-Q95 VanDerWaalsContact O-CG 3.29Å; V91-Q95 WeakPolarHBondContact O-CG 3.34Å; V91-Q95 PolarHBondContact O-N 3.27Å; V91-D244 HydrophobicContact CG1-CB 3.92Å; V91-L325 HydrophobicContact CG1-CD1 3.77Å
92K98.2Very high98Very high134 Ų13449.6 Ų49.658%0.58326%0.263SS*.Hα-helixtrans-59.2-47.6172.2-75.1174.8179.5-178.60111.9S88 V89 F90 L94 Q95 H96S88-K92 VanDerWaalsContact O-CG 3.31Å; S88-K92 WeakPolarHBondContact O-CG 3.42Å; S88-K92 PolarHBondContact O-N 3.46Å; V89-K92 PolarHBondContact O-N 2.91Å; F90-K92 VanDerWaalsContact C-N 3.33Å; F90-K92 PolarHBondContact O-N 3.44Å; K92-L94 VanDerWaalsContact C-N 3.33Å; K92-L94 PolarHBondContact O-N 3.36Å; K92-Q95 PolarHBondContact O-N 3.22Å; K92-H96 PolarHBondContact O-N 2.96Å; K92-H96 PolarHBondContact O-ND1 2.77Å
93Q98.3Very high98Very high90 Ų9051.6 Ų51.642%0.42127%0.267SS..Hα-helixtrans-61.5-41.7176.2-72.2177.6-2.700111.7V89 F90 Q95 H96 R97V89-Q93 WeakPolarHBondContact O-CG 3.46Å; V89-Q93 PolarHBondContact O-N 3.03Å; F90-Q93 PolarHBondContact O-N 3.08Å; F90-Q93 VanDerWaalsContact O-N 3.17Å; Q93-Q95 VanDerWaalsContact C-N 3.33Å; Q93-Q95 PolarHBondContact O-N 2.8Å; Q93-H96 PolarHBondContact O-N 3.49Å; Q93-R97 WeakPolarHBondContact O-CG 3.28Å; Q93-R97 PolarHBondContact O-N 2.87Å
94L98.4Very high98Very high1 Ų155 Ų551%0.00528%0.28CS..Hα-helixtrans-62.3-36.8177.9-177.757.3000113.4F90 V91 K92 H96 F99 Y246 Y270 F295 L325F90-L94 HydrophobicContact CE1-CB 4.46Å; F90-L94 HydrophobicContact CE1-CD2 3.81Å; F90-L94 HydrophobicContact CZ-CD2 4.32Å; F90-L94 WeakPolarHBondContact O-CB 3.43Å; F90-L94 PolarHBondContact O-N 2.83Å; V91-L94 PolarHBondContact O-N 2.94Å; K92-L94 VanDerWaalsContact C-N 3.33Å; K92-L94 PolarHBondContact O-N 3.36Å; L94-H96 VanDerWaalsContact C-N 3.34Å; L94-F99 HydrophobicContact CD1-CE2 4.22Å; L94-F99 HydrophobicContact CD1-CZ 3.82Å; L94-Y246 HydrophobicContact CD2-CD2 3.66Å; L94-Y246 HydrophobicContact CD2-CE2 3.41Å; L94-Y246 VanDerWaalsContact CD2-CE2 3.41Å; L94-Y270 HydrophobicContact CD1-CE1 3.89Å; L94-Y270 HydrophobicContact CD1-CE2 4.06Å; L94-Y270 HydrophobicContact CD2-CE2 3.94Å; L94-Y270 HydrophobicContact CG-CE2 4.17Å; L94-F295 HydrophobicContact CD1-CE2 3.51Å; L94-F295 HydrophobicContact CD1-CZ 3.68Å; L94-L325 HydrophobicContact CD2-CB 4.38Å; L94-L325 HydrophobicContact CD2-CD2 4.32Å; L94-L325 HydrophobicContact CG-CD2 4.41Å
95Q97.4Very high97.9Very high71 Ų7154.9 Ų54.933%0.33228%0.281SS..Hα-helixtrans-68.2-31.4175.8-73.9165.6-10.700112.8V91 K92 Q93 D244 L325V91-Q95 HydrophobicContact CG1-CG 4.44Å; V91-Q95 VanDerWaalsContact O-CG 3.29Å; V91-Q95 WeakPolarHBondContact O-CG 3.34Å; V91-Q95 PolarHBondContact O-N 3.27Å; K92-Q95 PolarHBondContact O-N 3.22Å; Q93-Q95 VanDerWaalsContact C-N 3.33Å; Q93-Q95 PolarHBondContact O-N 2.8Å; Q95-D244 PolarHBondContact NE2-OD1 2.99Å; Q95-L325 HydrophobicContact CG-CD2 3.86Å
96H97.1Very high97.9Very high157 Ų15755.8 Ų55.873%0.72729%0.285SS*.Hα-helixtrans-91.5-11.2179.4-66.279.4000114.2K92 Q93 L94K92-H96 PolarHBondContact O-N 2.96Å; K92-H96 PolarHBondContact O-ND1 2.77Å; Q93-H96 PolarHBondContact O-N 3.49Å; L94-H96 VanDerWaalsContact C-N 3.34Å
97R97.6Very high97.9Very high78 Ų7858 Ų5829%0.29430%0.295SS..  trans-67.8136.1176.6-82.9165.8174.6-103.89.3111.5Q93 F99 F295 D298Q93-R97 WeakPolarHBondContact O-CG 3.28Å; Q93-R97 PolarHBondContact O-N 2.87Å; R97-F99 HydrophobicContact CB-CD2 4.27Å; R97-F99 HydrophobicContact CB-CE2 3.41Å; R97-F99 VanDerWaalsContact CB-CE2 3.41Å; R97-F99 HydrophobicContact CB-CZ 3.75Å; R97-F99 WeakPolarHBondContact O-CD2 3.36Å; R97-F99 WeakPolarHBondContact O-CE2 3.27Å; R97-F295 VanDerWaalsContact NH1-CD1 3.28Å; R97-D298 IonicContact CZ-OD1 2.86Å; R97-D298 IonicContact CZ-OD2 3.83Å; R97-D298 VanDerWaalsContact CZ-OD2 3.31Å; R97-D298 IonicContact NH1-OD1 3.79Å; R97-D298 PolarHBondContact NH1-OD1 3.28Å; R97-D298 IonicContact NH1-OD2 2.79Å; R97-D298 PolarHBondContact NH1-OD2 3.07Å; R97-D298 IonicContact NH2-OD2 3.02Å; R97-D298 PolarHBondContact NH2-OD2 3.17Å
98T97.8Very high97.9Very high139 Ų13964.5 Ų64.585%0.85332%0.319SS*.  trans-83.7141.5172.150.80000111.3
99F98.5Very high97.8Very high43 Ų4363 Ų6319%0.18931%0.307CS..  trans-142.1150-179.4-64.3-89.8000110.3L94 R97 Y270 F295 C303 K305L94-F99 HydrophobicContact CD1-CE2 4.22Å; L94-F99 HydrophobicContact CD1-CZ 3.82Å; R97-F99 HydrophobicContact CB-CD2 4.27Å; R97-F99 HydrophobicContact CB-CE2 3.41Å; R97-F99 VanDerWaalsContact CB-CE2 3.41Å; R97-F99 HydrophobicContact CB-CZ 3.75Å; R97-F99 WeakPolarHBondContact O-CD2 3.36Å; R97-F99 WeakPolarHBondContact O-CE2 3.27Å; F99-Y270 HydrophobicContact CD1-CD1 4.14Å; F99-Y270 HydrophobicContact CD1-CE1 4.42Å; F99-Y270 HydrophobicContact CD2-CD1 4.37Å; F99-Y270 AromaticContact CD2-CE1 3.86Å; F99-Y270 HydrophobicContact CD2-CE1 3.86Å; F99-Y270 AromaticContact CE1-CD1 3.78Å; F99-Y270 HydrophobicContact CE1-CD1 3.78Å; F99-Y270 HydrophobicContact CE1-CE1 4.04Å; F99-Y270 HydrophobicContact CE2-CD1 4.05Å; F99-Y270 AromaticContact CE2-CE1 3.43Å; F99-Y270 HydrophobicContact CE2-CE1 3.43Å; F99-Y270 VanDerWaalsContact CE2-CE1 3.43Å; F99-Y270 HydrophobicContact CG-CD1 4.41Å; F99-Y270 HydrophobicContact CG-CE1 4.35Å; F99-Y270 AromaticContact CZ-CD1 3.74Å; F99-Y270 HydrophobicContact CZ-CD1 3.74Å; F99-Y270 AromaticContact CZ-CE1 3.52Å; F99-Y270 HydrophobicContact CZ-CE1 3.52Å; F99-F295 AromaticContact CE1-CE1 3.84Å; F99-F295 HydrophobicContact CE1-CE1 3.84Å; F99-F295 AromaticContact CE1-CZ 3.84Å; F99-F295 HydrophobicContact CE1-CZ 3.84Å; F99-F295 HydrophobicContact CZ-CE1 4.01Å; F99-F295 AromaticContact CZ-CZ 3.74Å; F99-F295 HydrophobicContact CZ-CZ 3.74Å; F99-C303 HydrophobicContact CD1-CB 4.45Å; F99-C303 WeakPolarHBondContact CD1-O 3.15Å; F99-K305 HydrophobicContact CB-CB 3.7Å; F99-K305 HydrophobicContact CD2-CB 4.41Å; F99-K305 HydrophobicContact CD2-CD 4.31Å; F99-K305 HydrophobicContact CG-CB 4.19Å
100P98.3Very high97.7Very high40 Ų4065.6 Ų65.626%0.2632%0.315SS..  trans-58.8146.6164.825.9-33.8000110.9E104 K302 C303 Y304 K305P100-E104 WeakPolarHBondContact CB-OE1 3.32Å; P100-K302 HydrophobicContact CG-CB 4.45Å; P100-K302 HydrophobicContact CG-CG 4.47Å; P100-C303 WeakPolarHBondContact CD-O 3.39Å; P100-C303 WeakPolarHBondContact CG-O 3.31Å; P100-Y304 HydrophobicContact CB-CD1 3.98Å; P100-Y304 HydrophobicContact CB-CE1 4.29Å; P100-Y304 HydrophobicContact CG-CD1 4.02Å; P100-Y304 HydrophobicContact CG-CE1 4.43Å; P100-Y304 HydrophobicContact CG-CG 4.46Å; P100-Y304 WeakPolarHBondContact O-CA 3.02Å; P100-K305 PolarHBondContact O-N 3.28Å
101S98.4Very high97.5Very high59 Ų5965 Ų6541%0.41331%0.313SS..BIsolated β-bridgetrans-76.9138.2-178.3-175.90000111E103 E104 Y304S101-E103 PolarHBondContact O-N 3.01Å; S101-E103 VanDerWaalsContact O-N 3.13Å; S101-E103 WeakPolarHBondContact OG-CG 3.46Å; S101-E103 PolarHBondContact OG-N 3.22Å; S101-E104 PolarHBondContact O-N 2.83Å; S101-E104 VanDerWaalsContact O-N 3.17Å; S101-Y304 WeakPolarHBondContact O-CD1 3.47Å
102A97.9Very high97.4Very high1 Ų169.7 Ų69.71%0.00834%0.335CS..G310 helixtrans-63.9-14.3174.700000113.6E104 I105 L106 K305 C306A102-E104 PolarHBondContact O-N 3.3Å; A102-E104 VanDerWaalsContact O-N 3.07Å; A102-I105 HydrophobicContact CB-CG1 4.43Å; A102-I105 CarbonylContact O-C 3.6Å; A102-I105 VanDerWaalsContact O-CG1 3.24Å; A102-I105 WeakPolarHBondContact O-CG1 3.35Å; A102-I105 PolarHBondContact O-N 3.25Å; A102-L106 HydrophobicContact CB-CD1 3.66Å; A102-L106 HydrophobicContact CB-CG 3.91Å; A102-L106 WeakPolarHBondContact O-CB 3.17Å; A102-L106 VanDerWaalsContact O-CG 3.24Å; A102-L106 WeakPolarHBondContact O-CG 3.33Å; A102-L106 PolarHBondContact O-N 3.47Å; A102-K305 WeakPolarHBondContact CB-O 3.07Å; A102-K305 PolarHBondContact N-O 2.82Å; A102-C306 HydrophobicContact CB-CB 3.5Å; A102-C306 VanDerWaalsContact CB-CB 3.5Å
103E97.1Very high97.3Very high100 Ų10068.2 Ų68.247%0.46733%0.33SS..G310 helixtrans-55.8-22.5170.5-58.9-53.312700113.3S101 I105 R108S101-E103 PolarHBondContact O-N 3.01Å; S101-E103 VanDerWaalsContact O-N 3.13Å; S101-E103 WeakPolarHBondContact OG-CG 3.46Å; S101-E103 PolarHBondContact OG-N 3.22Å; E103-I105 PolarHBondContact O-N 3.18Å; E103-R108 IonicContact OE1-CZ 2.68Å; E103-R108 IonicContact OE1-NE 3.85Å; E103-R108 IonicContact OE1-NH2 3.8Å; E103-R108 PolarHBondContact OE1-NH2 3Å; E103-R108 IonicContact OE2-CZ 2.7Å; E103-R108 VanDerWaalsContact OE2-CZ 3.3Å; E103-R108 IonicContact OE2-NE 2.74Å; E103-R108 PolarHBondContact OE2-NE 2.8Å; E103-R108 IonicContact OE2-NH2 3.77Å; E103-R108 PolarHBondContact OE2-NH2 3.03Å
104E97.3Very high97.2Very high105 Ų10564.3 Ų64.349%0.49131%0.312SS..G310 helixtrans-66.6-19.1172.3-66.7-179.5-135.400114.1P100 S101 A102 K302 Y304P100-E104 WeakPolarHBondContact CB-OE1 3.32Å; S101-E104 PolarHBondContact O-N 2.83Å; S101-E104 VanDerWaalsContact O-N 3.17Å; A102-E104 PolarHBondContact O-N 3.3Å; A102-E104 VanDerWaalsContact O-N 3.07Å; E104-K302 IonicContact OE2-NZ 2.6Å; E104-K302 PolarHBondContact OE2-NZ 2.81Å; E104-Y304 HydrophobicContact CB-CD1 4.35Å; E104-Y304 HydrophobicContact CB-CE1 3.86Å; E104-Y304 HydrophobicContact CG-CE1 4.5Å
105I97.7Very high97.1Very high15 Ų1567.2 Ų67.28%0.07733%0.33CS..THydrogen-bonded Turntrans-133.8-13-171.757.9158.2000114.9A102 E103 Y126 L271 Y304 W320A102-I105 HydrophobicContact CB-CG1 4.43Å; A102-I105 CarbonylContact O-C 3.6Å; A102-I105 VanDerWaalsContact O-CG1 3.24Å; A102-I105 WeakPolarHBondContact O-CG1 3.35Å; A102-I105 PolarHBondContact O-N 3.25Å; E103-I105 PolarHBondContact O-N 3.18Å; I105-Y126 HydrophobicContact CB-CD1 4.22Å; I105-Y126 HydrophobicContact CG2-CE1 4.46Å; I105-L271 HydrophobicContact CD1-CB 4.48Å; I105-Y304 HydrophobicContact CD1-CD1 4.32Å; I105-Y304 HydrophobicContact CD1-CD2 3.52Å; I105-Y304 HydrophobicContact CD1-CE2 3.98Å; I105-Y304 HydrophobicContact CD1-CG 3.7Å; I105-Y304 HydrophobicContact CG1-CD1 4.18Å; I105-Y304 HydrophobicContact CG1-CD2 4.23Å; I105-Y304 HydrophobicContact CG1-CE1 4.43Å; I105-Y304 HydrophobicContact CG1-CE2 4.48Å; I105-Y304 HydrophobicContact CG1-CG 4.06Å; I105-Y304 HydrophobicContact CG2-CD1 4.39Å; I105-Y304 HydrophobicContact CG2-CD2 4.43Å; I105-Y304 HydrophobicContact CG2-CE1 3.8Å; I105-Y304 HydrophobicContact CG2-CE2 3.86Å; I105-Y304 VanDerWaalsContact CG2-CZ 3.48Å; I105-W320 HydrophobicContact CD1-CH2 3.6Å; I105-W320 HydrophobicContact CD1-CZ3 3.57Å
106L97.5Very high97Very high21 Ų2165.6 Ų65.611%0.1133%0.325CS..  trans-76.9131.6-177.8-75.6170.5000111.8A102 P127 V129 L314A102-L106 HydrophobicContact CB-CD1 3.66Å; A102-L106 HydrophobicContact CB-CG 3.91Å; A102-L106 WeakPolarHBondContact O-CB 3.17Å; A102-L106 VanDerWaalsContact O-CG 3.24Å; A102-L106 WeakPolarHBondContact O-CG 3.33Å; A102-L106 PolarHBondContact O-N 3.47Å; L106-P127 HydrophobicContact CD2-CB 3.94Å; L106-V129 HydrophobicContact CB-CG1 4.19Å; L106-V129 HydrophobicContact CD1-CG1 4.28Å; L106-V129 HydrophobicContact CD2-CB 4.27Å; L106-V129 HydrophobicContact CD2-CG1 4.39Å; L106-L314 HydrophobicContact CD2-CD1 3.97Å
107I97.9Very high96.8Very high53 Ų5364 Ų6427%0.27231%0.313SS..EExtended strand (participates in β ladder)trans-90.9107.3169-52.4-179.7000107.9M109 P127 V128 V129I107-M109 HydrophobicContact CG2-CG 3.87Å; I107-M109 HydrophobicContact CG2-SD 4Å; I107-P127 PolarHBondContact N-O 2.89Å; I107-V128 HydrophobicContact CB-CG2 4.28Å; I107-V128 CarbonylContact O-C 3.58Å; I107-V128 WeakPolarHBondContact O-CA 3.41Å; I107-V128 WeakPolarHBondContact O-CG1 3.23Å; I107-V129 PolarHBondContact O-N 2.81Å
108R97.2Very high96.7Very high139 Ų13963.6 Ų63.653%0.52531%0.312SS..EExtended strand (participates in β ladder)trans-79.5125.8175.5-70.8-178.5168.5-79.8-6.7110.4E103 V129E103-R108 IonicContact OE1-CZ 2.68Å; E103-R108 IonicContact OE1-NE 3.85Å; E103-R108 IonicContact OE1-NH2 3.8Å; E103-R108 PolarHBondContact OE1-NH2 3Å; E103-R108 IonicContact OE2-CZ 2.7Å; E103-R108 VanDerWaalsContact OE2-CZ 3.3Å; E103-R108 IonicContact OE2-NE 2.74Å; E103-R108 PolarHBondContact OE2-NE 2.8Å; E103-R108 IonicContact OE2-NH2 3.77Å; E103-R108 PolarHBondContact OE2-NH2 3.03Å; R108-V129 HydrophobicContact CB-CG1 4.43Å; R108-V129 HydrophobicContact CG-CG1 3.61Å
109M96.1Very high96.6Very high14 Ų1457.1 Ų57.17%0.06927%0.272CS..  trans-141.5149.7-177.9-61.8-174.668.100111.9I107 Q113 V114 Y118 V128 V129I107-M109 HydrophobicContact CG2-CG 3.87Å; I107-M109 HydrophobicContact CG2-SD 4Å; M109-Q113 VanDerWaalsContact CE-C 3.44Å; M109-Q113 HydrophobicContact CE-CB 3.57Å; M109-Q113 VanDerWaalsContact CE-O 3.29Å; M109-Q113 WeakPolarHBondContact CE-O 3.36Å; M109-V114 HydrophobicContact CB-CG2 3.73Å; M109-V114 HydrophobicContact CE-CG2 4.04Å; M109-V114 HydrophobicContact CG-CG2 4.49Å; M109-V114 HydrophobicContact SD-CG2 4.09Å; M109-Y118 HydrophobicContact CE-CD1 3.58Å; M109-Y118 HydrophobicContact CE-CD2 4.11Å; M109-Y118 HydrophobicContact CE-CE1 3.55Å; M109-Y118 HydrophobicContact CE-CE2 4.07Å; M109-Y118 HydrophobicContact CE-CG 3.87Å; M109-Y118 HydrophobicContact SD-CD1 4.05Å; M109-Y118 HydrophobicContact SD-CE1 3.59Å; M109-Y118 VanDerWaalsContact SD-CE1 3.59Å; M109-V128 HydrophobicContact CB-CG1 4.06Å; M109-V128 HydrophobicContact CG-CG1 3.82Å; M109-V128 HydrophobicContact SD-CG1 3.58Å; M109-V128 VanDerWaalsContact SD-CG1 3.58Å; M109-V129 PolarHBondContact N-O 2.88Å; M109-V129 VanDerWaalsContact N-O 3.08Å
110K96.3Very high96.3Very high97 Ų9759.7 Ų59.742%0.42228%0.284SS..  trans-81.8152.1161.7-69.6-175.7162.4-83.10110.3E112 Q113 E132K110-E112 VanDerWaalsContact C-N 3.32Å; K110-E112 VanDerWaalsContact CB-OE2 3.25Å; K110-E112 WeakPolarHBondContact CB-OE2 3.42Å; K110-E112 PolarHBondContact O-N 3.41Å; K110-Q113 HydrophobicContact CB-CG 4.32Å; K110-Q113 VanDerWaalsContact O-CB 3.3Å; K110-Q113 WeakPolarHBondContact O-CB 3.49Å; K110-Q113 PolarHBondContact O-N 2.93Å; K110-E132 IonicContact NZ-OE1 2.72Å; K110-E132 IonicContact NZ-OE2 3.3Å; K110-E132 PolarHBondContact NZ-OE2 3.47Å
111G95Very high96.1Very high3 Ų367.6 Ų67.63%0.03131%0.309CS..G310 helixtrans-58.2-37.7-172.100000114.4Q113 V114 E134 G135G111-Q113 PolarHBondContact O-N 3.29Å; G111-Q113 VanDerWaalsContact O-N 3.16Å; G111-V114 PolarHBondContact O-N 3.14Å; G111-V114 VanDerWaalsContact O-N 3.07Å; G111-E134 VanDerWaalsContact CA-O 3.28Å; G111-E134 WeakPolarHBondContact CA-O 3.31Å; G111-G135 CarbonylContact C-O 3.49Å
112E95.9Very high95.9Very high104 Ų10470 Ų7049%0.48631%0.313SS..G310 helixtrans-63.9-22.2177.8-43.179.6172.600112.8K110 T115K110-E112 VanDerWaalsContact C-N 3.32Å; K110-E112 VanDerWaalsContact CB-OE2 3.25Å; K110-E112 WeakPolarHBondContact CB-OE2 3.42Å; K110-E112 PolarHBondContact O-N 3.41Å; E112-T115 WeakPolarHBondContact O-CG2 3.29Å
113Q95.9Very high95.8Very high103 Ų10371 Ų7148%0.48132%0.324SS..G310 helixtrans-81.9-25.7178.8-55.6176.6-39.100111.5M109 K110 G111 T115M109-Q113 VanDerWaalsContact CE-C 3.44Å; M109-Q113 HydrophobicContact CE-CB 3.57Å; M109-Q113 VanDerWaalsContact CE-O 3.29Å; M109-Q113 WeakPolarHBondContact CE-O 3.36Å; K110-Q113 HydrophobicContact CB-CG 4.32Å; K110-Q113 VanDerWaalsContact O-CB 3.3Å; K110-Q113 WeakPolarHBondContact O-CB 3.49Å; K110-Q113 PolarHBondContact O-N 2.93Å; G111-Q113 PolarHBondContact O-N 3.29Å; G111-Q113 VanDerWaalsContact O-N 3.16Å; Q113-T115 PolarHBondContact O-N 2.88Å
114V96.3Very high95.8Very high8 Ų866.3 Ų66.35%0.04830%0.302CS..  trans-77.968.9-176.4-169.70000110.5M109 G111 V128 I130 L136 V212 L315M109-V114 HydrophobicContact CB-CG2 3.73Å; M109-V114 HydrophobicContact CE-CG2 4.04Å; M109-V114 HydrophobicContact CG-CG2 4.49Å; M109-V114 HydrophobicContact SD-CG2 4.09Å; G111-V114 PolarHBondContact O-N 3.14Å; G111-V114 VanDerWaalsContact O-N 3.07Å; V114-V128 HydrophobicContact CG2-CG1 4.36Å; V114-I130 HydrophobicContact CG2-CD1 4.28Å; V114-I130 HydrophobicContact CG2-CG1 3.84Å; V114-L136 HydrophobicContact CB-CD1 3.9Å; V114-L136 HydrophobicContact CG1-CD1 4.09Å; V114-L136 HydrophobicContact CG2-CD1 4.32Å; V114-V212 HydrophobicContact CG1-CB 4.33Å; V114-V212 HydrophobicContact CG1-CG1 3.96Å; V114-V212 HydrophobicContact CG1-CG2 4.43Å; V114-L315 HydrophobicContact CG1-CD1 3.67Å
115T95.9Very high95.8Very high61 Ų6165 Ų6537%0.37430%0.298SS..  trans-103.9152.5-178.760.80000111.3E112 Q113 R117 Y118 L119E112-T115 WeakPolarHBondContact O-CG2 3.29Å; Q113-T115 PolarHBondContact O-N 2.88Å; T115-R117 PolarHBondContact O-N 3.15Å; T115-Y118 WeakPolarHBondContact O-CB 3.33Å; T115-Y118 PolarHBondContact O-N 2.93Å; T115-Y118 WeakPolarHBondContact OG1-CB 3.29Å; T115-Y118 PolarHBondContact OG1-N 2.86Å; T115-L119 PolarHBondContact O-N 3.11Å
116T94.6Very high95.8Very high38 Ų3868.3 Ų68.323%0.23331%0.31CS..Hα-helixtrans-53.3-44.1173.364.80000110.9Y118 L119 E120 V212 K215 M216T116-Y118 VanDerWaalsContact C-N 3.29Å; T116-Y118 PolarHBondContact O-N 3.22Å; T116-L119 CarbonylContact O-C 3.6Å; T116-L119 PolarHBondContact O-N 3.42Å; T116-L119 VanDerWaalsContact O-N 3.11Å; T116-E120 WeakPolarHBondContact O-CB 3.28Å; T116-E120 VanDerWaalsContact O-CG 3.27Å; T116-E120 WeakPolarHBondContact O-CG 3.33Å; T116-E120 PolarHBondContact O-N 2.57Å; T116-V212 HydrophobicContact CG2-CG2 4.43Å; T116-K215 HydrophobicContact CG2-CB 3.6Å; T116-K215 HydrophobicContact CG2-CD 4.28Å; T116-M216 HydrophobicContact CG2-CG 3.64Å; T116-M216 HydrophobicContact CG2-SD 4.05Å
117R92.7Very high95.9Very high123 Ų12367.3 Ų67.346%0.46431%0.305SS..Hα-helixtrans-59.9-31.6177.2176.3176.4169.3-177.3-3.7114T115 R121 E474T115-R117 PolarHBondContact O-N 3.15Å; R117-R121 WeakPolarHBondContact O-CB 3.41Å; R117-R121 PolarHBondContact O-N 2.88Å; R117-E474 IonicContact CZ-OE1 3.05Å; R117-E474 IonicContact NH1-OE1 3.58Å; R117-E474 PolarHBondContact NH1-OE1 2.68Å
118Y95.9Very high95.9Very high70 Ų7064.9 Ų64.928%0.27529%0.293SS..Hα-helixtrans-69.1-50.7172.7178.7-89.2000110M109 T115 T116 E120 R121 H122M109-Y118 HydrophobicContact CE-CD1 3.58Å; M109-Y118 HydrophobicContact CE-CD2 4.11Å; M109-Y118 HydrophobicContact CE-CE1 3.55Å; M109-Y118 HydrophobicContact CE-CE2 4.07Å; M109-Y118 HydrophobicContact CE-CG 3.87Å; M109-Y118 HydrophobicContact SD-CD1 4.05Å; M109-Y118 HydrophobicContact SD-CE1 3.59Å; M109-Y118 VanDerWaalsContact SD-CE1 3.59Å; T115-Y118 WeakPolarHBondContact O-CB 3.33Å; T115-Y118 PolarHBondContact O-N 2.93Å; T115-Y118 WeakPolarHBondContact OG1-CB 3.29Å; T115-Y118 PolarHBondContact OG1-N 2.86Å; T116-Y118 VanDerWaalsContact C-N 3.29Å; T116-Y118 PolarHBondContact O-N 3.22Å; Y118-E120 PolarHBondContact O-N 3.08Å; Y118-R121 PolarHBondContact O-N 3.44Å; Y118-R121 VanDerWaalsContact O-N 3.08Å; Y118-H122 AromaticContact CD2-CD2 3.61Å; Y118-H122 HydrophobicContact CE1-CB 4.23Å; Y118-H122 AromaticContact CE2-CD2 3.61Å; Y118-H122 PolarHBondContact O-CD2 3.25Å; Y118-H122 PolarHBondContact O-N 3.48Å
119L96.3Very high96Very high3 Ų358.6 Ų58.62%0.01627%0.27CS..Hα-helixtrans-66.9-32.4-179.6-59.6-179.9000113.2T115 T116 R121 G123 F124 V212 M216 L341T115-L119 PolarHBondContact O-N 3.11Å; T116-L119 CarbonylContact O-C 3.6Å; T116-L119 PolarHBondContact O-N 3.42Å; T116-L119 VanDerWaalsContact O-N 3.11Å; L119-R121 VanDerWaalsContact C-N 3.29Å; L119-R121 PolarHBondContact O-N 2.9Å; L119-G123 CarbonylContact O-C 3.55Å; L119-G123 WeakPolarHBondContact O-CA 3.24Å; L119-G123 PolarHBondContact O-N 3.35Å; L119-F124 HydrophobicContact CB-CB 4.27Å; L119-F124 HydrophobicContact CD1-CB 4.29Å; L119-F124 HydrophobicContact CD1-CD1 4.27Å; L119-F124 HydrophobicContact CD1-CG 4.15Å; L119-F124 HydrophobicContact CD2-CB 4Å; L119-F124 HydrophobicContact CD2-CD2 4.14Å; L119-F124 HydrophobicContact CD2-CG 4.17Å; L119-F124 HydrophobicContact CG-CB 4.42Å; L119-V212 HydrophobicContact CD1-CG2 3.6Å; L119-M216 HydrophobicContact CD1-CE 4.32Å; L119-M216 HydrophobicContact CD1-SD 3.92Å; L119-L341 HydrophobicContact CB-CD1 3.77Å
120E92.5Very high96.1Very high96 Ų9657.9 Ų57.945%0.44927%0.266SS..Hα-helixtrans-67.1-28171.7-71.7175.9137.700112.7T116 Y118 L341 Y395T116-E120 WeakPolarHBondContact O-CB 3.28Å; T116-E120 VanDerWaalsContact O-CG 3.27Å; T116-E120 WeakPolarHBondContact O-CG 3.33Å; T116-E120 PolarHBondContact O-N 2.57Å; Y118-E120 PolarHBondContact O-N 3.08Å; E120-L341 HydrophobicContact CG-CD2 4.05Å; E120-Y395 WeakPolarHBondContact CG-OH 3.45Å
121R93.2Very high95.9Very high207 Ų20757 Ų5778%0.78127%0.269SS*.Hα-helixtrans-91.8-37.9-178.8-174.8179.1-171.4-168.92.4113.4R117 Y118 L119R117-R121 WeakPolarHBondContact O-CB 3.41Å; R117-R121 PolarHBondContact O-N 2.88Å; Y118-R121 PolarHBondContact O-N 3.44Å; Y118-R121 VanDerWaalsContact O-N 3.08Å; L119-R121 VanDerWaalsContact C-N 3.29Å; L119-R121 PolarHBondContact O-N 2.9Å
122H94.3Very high95.7Very high109 Ų10961.4 Ų61.451%0.50529%0.289SS..Hα-helixtrans-105.4-11.1-174.1-65-85000113.1Y118Y118-H122 AromaticContact CD2-CD2 3.61Å; Y118-H122 HydrophobicContact CE1-CB 4.23Å; Y118-H122 AromaticContact CE2-CD2 3.61Å; Y118-H122 PolarHBondContact O-CD2 3.25Å; Y118-H122 PolarHBondContact O-N 3.48Å
123G95.4Very high95.5Very high22 Ų2261.2 Ų61.223%0.22729%0.289CS..  trans80.5157.1-171.600000112.4L119L119-G123 CarbonylContact O-C 3.55Å; L119-G123 WeakPolarHBondContact O-CA 3.24Å; L119-G123 PolarHBondContact O-N 3.35Å
124F97.8Very high95.5Very high2 Ų262.9 Ų62.91%0.00930%0.297CS..SBendtrans-116.182.6169.4-174-151.6000108.2L119 V128 L315 P317 F337 H339 L341 N342L119-F124 HydrophobicContact CB-CB 4.27Å; L119-F124 HydrophobicContact CD1-CB 4.29Å; L119-F124 HydrophobicContact CD1-CD1 4.27Å; L119-F124 HydrophobicContact CD1-CG 4.15Å; L119-F124 HydrophobicContact CD2-CB 4Å; L119-F124 HydrophobicContact CD2-CD2 4.14Å; L119-F124 HydrophobicContact CD2-CG 4.17Å; L119-F124 HydrophobicContact CG-CB 4.42Å; F124-V128 HydrophobicContact CD2-CG2 4.2Å; F124-V128 HydrophobicContact CE2-CG2 3.99Å; F124-L315 HydrophobicContact CE2-CB 4.17Å; F124-L315 HydrophobicContact CZ-CB 3.82Å; F124-P317 HydrophobicContact CD1-CB 3.91Å; F124-P317 HydrophobicContact CD2-CB 3.73Å; F124-P317 HydrophobicContact CD2-CG 4.01Å; F124-P317 HydrophobicContact CE1-CB 3.88Å; F124-P317 HydrophobicContact CE2-CB 3.68Å; F124-P317 HydrophobicContact CE2-CG 3.83Å; F124-P317 HydrophobicContact CG-CB 3.82Å; F124-P317 HydrophobicContact CZ-CB 3.75Å; F124-P317 HydrophobicContact CZ-CG 4.26Å; F124-P317 VanDerWaalsContact O-CB 3.24Å; F124-P317 WeakPolarHBondContact O-CB 3.44Å; F124-F337 HydrophobicContact CE1-CZ 4.26Å; F124-H339 AromaticContact CD1-NE2 3.48Å; F124-H339 WeakPolarHBondContact CD1-NE2 3.32Å; F124-L341 HydrophobicContact CB-CD1 3.74Å; F124-N342 PolarHBondContact O-ND2 2.79Å; F124-N342 VanDerWaalsContact O-ND2 3.14Å
125N97.2Very high95.4Very high76 Ų7664.3 Ų64.341%0.40631%0.313SS..  trans-124.6-11.8-169.1-63.4-45.2000113.5W320 N342N125-W320 PolarHBondContact O-NE1 3.08Å; N125-N342 PolarHBondContact OD1-ND2 3.46Å
126Y98.3Very high95.4Very high86 Ų8661.5 Ų61.534%0.33730%0.296SS..SBendtrans-130.7154.4175.9-68.1-81.5000109.2I105 K273 W320I105-Y126 HydrophobicContact CB-CD1 4.22Å; I105-Y126 HydrophobicContact CG2-CE1 4.46Å; Y126-K273 HydrophobicContact CE1-CD 4.19Å; Y126-K273 PolarHBondContact OH-NZ 2.88Å; Y126-W320 HydrophobicContact CD1-CH2 4.09Å; Y126-W320 AromaticContact CD1-CZ2 3.75Å; Y126-W320 HydrophobicContact CD1-CZ2 3.75Å; Y126-W320 HydrophobicContact CE1-CZ2 4.38Å; Y126-W320 HydrophobicContact CG-CZ2 4.46Å
127P98.6Very high95.6Very high0 Ų061.7 Ų61.70%031%0.305CS..  trans-68.7139.4-178.3-7.923.3000111.1L106 I107 L271 L314 L315 W320L106-P127 HydrophobicContact CD2-CB 3.94Å; I107-P127 PolarHBondContact N-O 2.89Å; P127-L271 HydrophobicContact CB-CD1 4.48Å; P127-L271 HydrophobicContact CG-CD1 3.99Å; P127-L314 HydrophobicContact CB-CD1 4.01Å; P127-L315 CarbonylContact C-O 3.55Å; P127-L315 VanDerWaalsContact CA-O 3.23Å; P127-L315 WeakPolarHBondContact CA-O 3.37Å; P127-W320 HydrophobicContact CG-CD2 4.39Å; P127-W320 HydrophobicContact CG-CE3 4.25Å; P127-W320 HydrophobicContact CG-CH2 4.3Å; P127-W320 HydrophobicContact CG-CZ2 4.44Å; P127-W320 HydrophobicContact CG-CZ3 4.2Å
128V98.6Very high95.8Very high1 Ų156.6 Ų56.61%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-106.1129.8179.6-1760000108.3I107 M109 V114 F124 I130 L315I107-V128 HydrophobicContact CB-CG2 4.28Å; I107-V128 CarbonylContact O-C 3.58Å; I107-V128 WeakPolarHBondContact O-CA 3.41Å; I107-V128 WeakPolarHBondContact O-CG1 3.23Å; M109-V128 HydrophobicContact CB-CG1 4.06Å; M109-V128 HydrophobicContact CG-CG1 3.82Å; M109-V128 HydrophobicContact SD-CG1 3.58Å; M109-V128 VanDerWaalsContact SD-CG1 3.58Å; V114-V128 HydrophobicContact CG2-CG1 4.36Å; F124-V128 HydrophobicContact CD2-CG2 4.2Å; F124-V128 HydrophobicContact CE2-CG2 3.99Å; V128-I130 HydrophobicContact CG1-CD1 3.92Å; V128-I130 HydrophobicContact CG1-CG1 4.41Å; V128-L315 HydrophobicContact CB-CB 4.23Å; V128-L315 HydrophobicContact CB-CD1 4.46Å; V128-L315 PolarHBondContact N-O 2.81Å; V128-L315 PolarHBondContact O-N 2.72Å
129V98.3Very high95.9Very high7 Ų758.4 Ų58.44%0.04230%0.296CS..EExtended strand (participates in β ladder)trans-115134.2177.168.70000110.8L106 I107 R108 M109 T312 L314L106-V129 HydrophobicContact CB-CG1 4.19Å; L106-V129 HydrophobicContact CD1-CG1 4.28Å; L106-V129 HydrophobicContact CD2-CB 4.27Å; L106-V129 HydrophobicContact CD2-CG1 4.39Å; I107-V129 PolarHBondContact O-N 2.81Å; R108-V129 HydrophobicContact CB-CG1 4.43Å; R108-V129 HydrophobicContact CG-CG1 3.61Å; M109-V129 PolarHBondContact N-O 2.88Å; M109-V129 VanDerWaalsContact N-O 3.08Å; V129-T312 HydrophobicContact CG2-CG2 3.45Å; V129-T312 VanDerWaalsContact CG2-CG2 3.45Å; V129-L314 HydrophobicContact CB-CD1 4.4Å
130I98.2Very high96Very high0 Ų059.4 Ų59.40%030%0.302CS..EExtended strand (participates in β ladder)trans-127.8115.2-176-53.291000107.7V114 V128 E132 T313 L315V114-I130 HydrophobicContact CG2-CD1 4.28Å; V114-I130 HydrophobicContact CG2-CG1 3.84Å; V128-I130 HydrophobicContact CG1-CD1 3.92Å; V128-I130 HydrophobicContact CG1-CG1 4.41Å; I130-E132 WeakPolarHBondContact CG2-O 3.44Å; I130-T313 PolarHBondContact N-O 2.68Å; I130-T313 PolarHBondContact O-N 2.96Å; I130-L315 HydrophobicContact CD1-CD1 4.04Å; I130-L315 HydrophobicContact CD1-CG 3.92Å
131T93.5Very high96.3Very high78 Ų7855.3 Ų55.348%0.47928%0.283SS..SBendtrans-86.7-15.3-177.250.50000113.9
132E90.8Very high96.5Very high96 Ų9649.1 Ų49.145%0.44927%0.27SS..  trans-129.1118.4-178.7-69.1160.6-151.700108.1K110 I130 E134K110-E132 IonicContact NZ-OE1 2.72Å; K110-E132 IonicContact NZ-OE2 3.3Å; K110-E132 PolarHBondContact NZ-OE2 3.47Å; I130-E132 WeakPolarHBondContact CG2-O 3.44Å; E132-E134 PolarHBondContact O-N 3.46Å
133M91.5Very high96.6Very high100 Ų10048 Ų4849%0.49327%0.272SS..  trans-68.4-11-178.466.7-176.3177.800114.5L136 L138M133-L136 VanDerWaalsContact O-CB 3.27Å; M133-L136 WeakPolarHBondContact O-CB 3.36Å; M133-L136 PolarHBondContact O-N 2.93Å; M133-L138 HydrophobicContact CB-CD2 4.35Å
134E95Very high96.7Very high138 Ų13852.9 Ų52.965%0.64530%0.298SS*.THydrogen-bonded Turntrans-58.8140.4-179.8-166.355.3-140.800111.2G111 E132 L136G111-E134 VanDerWaalsContact CA-O 3.28Å; G111-E134 WeakPolarHBondContact CA-O 3.31Å; E132-E134 PolarHBondContact O-N 3.46Å; E134-L136 PolarHBondContact O-N 3.1Å
135G95.2Very high96.7Very high37 Ų3753.3 Ų53.338%0.38130%0.3SS..THydrogen-bonded Turntrans72.8-13.5-176.500000116.6G111 G137G111-G135 CarbonylContact C-O 3.49Å; G135-G137 VanDerWaalsContact C-N 3.28Å; G135-G137 PolarHBondContact O-N 2.93Å
136L96.6Very high96.8Very high3 Ų351.6 Ų51.62%0.01629%0.293CS..SBendtrans-77.4-12.8-178.4-167.661.2000113.3V114 M133 E134 L138 P210 D211 T313V114-L136 HydrophobicContact CB-CD1 3.9Å; V114-L136 HydrophobicContact CG1-CD1 4.09Å; V114-L136 HydrophobicContact CG2-CD1 4.32Å; M133-L136 VanDerWaalsContact O-CB 3.27Å; M133-L136 WeakPolarHBondContact O-CB 3.36Å; M133-L136 PolarHBondContact O-N 2.93Å; E134-L136 PolarHBondContact O-N 3.1Å; L136-L138 HydrophobicContact CB-CB 4.41Å; L136-L138 HydrophobicContact CD2-CB 4.23Å; L136-L138 HydrophobicContact CD2-CD2 4.35Å; L136-L138 HydrophobicContact CG-CB 4.33Å; L136-L138 PolarHBondContact O-N 3.05Å; L136-L138 VanDerWaalsContact O-N 3.15Å; L136-P210 HydrophobicContact CD1-CB 4.5Å; L136-P210 HydrophobicContact CG-CB 4.18Å; L136-D211 WeakPolarHBondContact O-CB 3.48Å; L136-D211 PolarHBondContact O-N 3.47Å; L136-T313 HydrophobicContact CD2-CG2 3.94Å
137G97.3Very high96.8Very high42 Ų4247.9 Ų47.943%0.43328%0.28SS..  trans66.83.9-173.900000115G135 K139G135-G137 VanDerWaalsContact C-N 3.28Å; G135-G137 PolarHBondContact O-N 2.93Å; G137-K139 PolarHBondContact O-N 3.39Å
138L98.1Very high96.7Very high16 Ų1653.9 Ų53.98%0.08431%0.306CS..  trans-65.3125.2169.3175.969.9000109.2M133 L136 L140 P210 W259 H261 T313M133-L138 HydrophobicContact CB-CD2 4.35Å; L136-L138 HydrophobicContact CB-CB 4.41Å; L136-L138 HydrophobicContact CD2-CB 4.23Å; L136-L138 HydrophobicContact CD2-CD2 4.35Å; L136-L138 HydrophobicContact CG-CB 4.33Å; L136-L138 PolarHBondContact O-N 3.05Å; L136-L138 VanDerWaalsContact O-N 3.15Å; L138-L140 HydrophobicContact CD1-CD1 4.37Å; L138-L140 HydrophobicContact CD1-CD2 4.18Å; L138-L140 HydrophobicContact CD1-CG 4.05Å; L138-L140 HydrophobicContact CD2-CD1 4.01Å; L138-L140 HydrophobicContact CD2-CG 4.39Å; L138-L140 HydrophobicContact CG-CD1 4.25Å; L138-L140 HydrophobicContact CG-CG 4.07Å; L138-P210 HydrophobicContact CB-CG 4.35Å; L138-P210 HydrophobicContact CD1-CG 4Å; L138-W259 HydrophobicContact CD1-CE3 4.17Å; L138-W259 HydrophobicContact CD1-CH2 4.08Å; L138-W259 HydrophobicContact CD1-CZ3 3.63Å; L138-H261 HydrophobicContact CD2-CB 4.15Å; L138-T313 HydrophobicContact CD2-CG2 4.49Å
139K98.1Very high96.7Very high107 Ų10756.1 Ų56.147%0.46532%0.318SS..BIsolated β-bridgetrans-113.6135168.1-179.1-162.6166.9-163.10108G137 E205 L206 V207 E208G137-K139 PolarHBondContact O-N 3.39Å; K139-E205 PolarHBondContact NZ-O 3.16Å; K139-L206 WeakPolarHBondContact CE-O 3.37Å; K139-V207 VanDerWaalsContact O-CA 3.28Å; K139-V207 WeakPolarHBondContact O-CA 3.34Å; K139-E208 HydrophobicContact CB-CB 3.82Å; K139-E208 HydrophobicContact CB-CG 4.37Å; K139-E208 HydrophobicContact CD-CG 4.44Å; K139-E208 PolarHBondContact N-O 2.97Å; K139-E208 PolarHBondContact O-N 2.86Å
140L98.3Very high96.8Very high25 Ų2555.8 Ų55.813%0.13132%0.316CS..  trans-135.1162.8176.6-70.7178.8000110.5L138 V207 H261 F333L138-L140 HydrophobicContact CD1-CD1 4.37Å; L138-L140 HydrophobicContact CD1-CD2 4.18Å; L138-L140 HydrophobicContact CD1-CG 4.05Å; L138-L140 HydrophobicContact CD2-CD1 4.01Å; L138-L140 HydrophobicContact CD2-CG 4.39Å; L138-L140 HydrophobicContact CG-CD1 4.25Å; L138-L140 HydrophobicContact CG-CG 4.07Å; L140-V207 HydrophobicContact CD2-CB 4.44Å; L140-V207 HydrophobicContact CD2-CG1 3.91Å; L140-V207 HydrophobicContact CD2-CG2 3.87Å; L140-H261 HydrophobicContact CD1-CB 4.09Å; L140-H261 WeakPolarHBondContact CD1-CD2 3.46Å; L140-F333 HydrophobicContact CD1-CD2 4.44Å; L140-F333 HydrophobicContact CD2-CB 3.77Å; L140-F333 HydrophobicContact CD2-CD1 4.48Å; L140-F333 HydrophobicContact CD2-CD2 3.72Å; L140-F333 HydrophobicContact CD2-CE2 4.45Å; L140-F333 HydrophobicContact CD2-CG 3.73Å
141P98.1Very high96.8Very high9 Ų958.7 Ų58.76%0.05833%0.329CS..  trans-60.5162162.629.4-37.2000111.4F145 L206 L263 F333P141-F145 HydrophobicContact CB-CB 3.75Å; P141-F145 HydrophobicContact CB-CD1 3.9Å; P141-F145 HydrophobicContact CB-CD2 3.58Å; P141-F145 HydrophobicContact CB-CE1 4.36Å; P141-F145 HydrophobicContact CB-CE2 4.05Å; P141-F145 HydrophobicContact CB-CG 3.5Å; P141-F145 HydrophobicContact CB-CZ 4.43Å; P141-F145 HydrophobicContact CG-CB 4.12Å; P141-F145 HydrophobicContact CG-CD1 3.61Å; P141-F145 HydrophobicContact CG-CD2 4.22Å; P141-F145 HydrophobicContact CG-CE1 3.97Å; P141-F145 HydrophobicContact CG-CG 3.76Å; P141-F145 HydrophobicContact CG-CZ 4.41Å; P141-L206 HydrophobicContact CB-CD1 4.33Å; P141-L263 WeakPolarHBondContact O-CD1 3.47Å; P141-F333 HydrophobicContact CG-CE2 3.82Å; P141-F333 HydrophobicContact CG-CZ 3.88Å
142P97.1Very high97Very high77 Ų7762.1 Ų62.150%0.534%0.34SS..  trans-63.7157.4-177.927.6-36.4000112.2T144 F145P142-T144 PolarHBondContact O-N 3.2Å; P142-F145 WeakPolarHBondContact O-CB 3.38Å; P142-F145 PolarHBondContact O-N 2.77Å
143P96.4Very high97.4Very high85 Ų8561.6 Ų61.655%0.55234%0.335SS*.THydrogen-bonded Turntrans-58.9-15.3179.6-26.735.8000115.8F145P143-F145 VanDerWaalsContact C-N 3.35Å
144T97.4Very high97.7Very high125 Ų12557.7 Ų57.777%0.76732%0.316SS*.THydrogen-bonded Turntrans-81.7-8.9173.8510000114.1P142 S146P142-T144 PolarHBondContact O-N 3.2Å; T144-S146 PolarHBondContact O-N 3.16Å
145F98.6Very high97.8Very high12 Ų1252.6 Ų52.65%0.05330%0.301CS..  trans-64.4124.3-179.7-173.1-97.8000110.2P141 P142 P143 D149 V150 Y153 M203 L206 L263 W264 M331 F333P141-F145 HydrophobicContact CB-CB 3.75Å; P141-F145 HydrophobicContact CB-CD1 3.9Å; P141-F145 HydrophobicContact CB-CD2 3.58Å; P141-F145 HydrophobicContact CB-CE1 4.36Å; P141-F145 HydrophobicContact CB-CE2 4.05Å; P141-F145 HydrophobicContact CB-CG 3.5Å; P141-F145 HydrophobicContact CB-CZ 4.43Å; P141-F145 HydrophobicContact CG-CB 4.12Å; P141-F145 HydrophobicContact CG-CD1 3.61Å; P141-F145 HydrophobicContact CG-CD2 4.22Å; P141-F145 HydrophobicContact CG-CE1 3.97Å; P141-F145 HydrophobicContact CG-CG 3.76Å; P141-F145 HydrophobicContact CG-CZ 4.41Å; P142-F145 WeakPolarHBondContact O-CB 3.38Å; P142-F145 PolarHBondContact O-N 2.77Å; P143-F145 VanDerWaalsContact C-N 3.35Å; F145-D149 HydrophobicContact CD1-CB 4.34Å; F145-D149 HydrophobicContact CD2-CB 3.48Å; F145-D149 VanDerWaalsContact CD2-CB 3.48Å; F145-D149 HydrophobicContact CE1-CB 4.18Å; F145-D149 HydrophobicContact CE2-CB 3.31Å; F145-D149 HydrophobicContact CG-CB 4.02Å; F145-D149 HydrophobicContact CZ-CB 3.67Å; F145-V150 HydrophobicContact CE1-CG2 3.78Å; F145-Y153 AromaticContact CE2-CD2 3.93Å; F145-Y153 HydrophobicContact CE2-CD2 3.93Å; F145-Y153 AromaticContact CE2-CE2 3.99Å; F145-Y153 HydrophobicContact CE2-CE2 3.99Å; F145-Y153 HydrophobicContact CZ-CD2 4.17Å; F145-M203 HydrophobicContact CE1-SD 4.03Å; F145-M203 HydrophobicContact CZ-CG 4.4Å; F145-M203 HydrophobicContact CZ-SD 3.95Å; F145-L206 HydrophobicContact CE2-CD1 3.57Å; F145-L206 HydrophobicContact CZ-CD1 3.79Å; F145-L263 HydrophobicContact CB-CD2 4.04Å; F145-W264 PolarHBondContact O-NE1 3.06Å; F145-M331 HydrophobicContact CD1-CE 3.71Å; F145-M331 HydrophobicContact CE1-CE 4.37Å; F145-M331 WeakPolarHBondContact O-CE 3.19Å; F145-F333 HydrophobicContact CD1-CZ 4.48Å; F145-F333 HydrophobicContact CE1-CZ 4.25Å
146S98.3Very high97.9Very high39 Ų3951.6 Ų51.627%0.27329%0.29SS..  trans-108.3170.8-16880.90000112.3T144 K148 D149 V150T144-S146 PolarHBondContact O-N 3.16Å; S146-K148 PolarHBondContact O-N 3.02Å; S146-K148 VanDerWaalsContact O-N 3.16Å; S146-K148 PolarHBondContact OG-N 3.43Å; S146-D149 WeakPolarHBondContact CA-OD2 3.38Å; S146-D149 VanDerWaalsContact CB-OD2 3.24Å; S146-D149 WeakPolarHBondContact CB-OD2 3.46Å; S146-D149 PolarHBondContact N-OD2 3.3Å; S146-D149 WeakPolarHBondContact O-CB 3.39Å; S146-D149 PolarHBondContact O-N 3.19Å; S146-D149 PolarHBondContact OG-OD2 2.94Å; S146-V150 PolarHBondContact O-N 3.31Å
147V98.2Very high97.9Very high8 Ų857 Ų575%0.04832%0.319CS..Hα-helixtrans-60.7-22.8174.3-49.70000112.7E151 I179 F182 T183 M240 W264 M331V147-E151 PolarHBondContact O-N 3.23Å; V147-I179 HydrophobicContact CB-CD1 3.63Å; V147-I179 HydrophobicContact CG2-CD1 3.98Å; V147-I179 HydrophobicContact CG2-CG2 4.26Å; V147-I179 WeakPolarHBondContact O-CD1 3.28Å; V147-F182 HydrophobicContact CG1-CD1 3.95Å; V147-F182 HydrophobicContact CG1-CE1 3.82Å; V147-F182 HydrophobicContact CG1-CG 4.41Å; V147-F182 HydrophobicContact CG1-CZ 4.17Å; V147-F182 HydrophobicContact CG2-CD1 3.99Å; V147-F182 HydrophobicContact CG2-CG 4.48Å; V147-T183 HydrophobicContact CG2-CG2 4.09Å; V147-M240 HydrophobicContact CB-SD 3.66Å; V147-M240 HydrophobicContact CG1-CG 4.36Å; V147-M240 HydrophobicContact CG1-SD 3.59Å; V147-M240 VanDerWaalsContact CG1-SD 3.59Å; V147-W264 HydrophobicContact CG1-CH2 3.57Å; V147-W264 HydrophobicContact CG1-CZ2 3.65Å; V147-M331 HydrophobicContact CG1-SD 4.4Å
148K98.3Very high97.8Very high126 Ų12657.6 Ų57.655%0.54831%0.31SS..Hα-helixtrans-76.3-32.3174-64.4-178.3178.9178.80112.5S146 V150 E151 Q152 I179S146-K148 PolarHBondContact O-N 3.02Å; S146-K148 VanDerWaalsContact O-N 3.16Å; S146-K148 PolarHBondContact OG-N 3.43Å; K148-V150 VanDerWaalsContact C-N 3.31Å; K148-E151 VanDerWaalsContact O-CB 3.27Å; K148-E151 WeakPolarHBondContact O-CB 3.46Å; K148-E151 PolarHBondContact O-N 2.83Å; K148-Q152 PolarHBondContact O-N 2.87Å; K148-I179 HydrophobicContact CG-CG2 4.21Å
149D98.6Very high97.7Very high48 Ų4861.1 Ų61.126%0.25733%0.332SS..Hα-helixtrans-68.4-36.4174.6-54.1-89.7000110F145 S146 E151 Q152 Y153F145-D149 HydrophobicContact CD1-CB 4.34Å; F145-D149 HydrophobicContact CD2-CB 3.48Å; F145-D149 VanDerWaalsContact CD2-CB 3.48Å; F145-D149 HydrophobicContact CE1-CB 4.18Å; F145-D149 HydrophobicContact CE2-CB 3.31Å; F145-D149 HydrophobicContact CG-CB 4.02Å; F145-D149 HydrophobicContact CZ-CB 3.67Å; S146-D149 WeakPolarHBondContact CA-OD2 3.38Å; S146-D149 VanDerWaalsContact CB-OD2 3.24Å; S146-D149 WeakPolarHBondContact CB-OD2 3.46Å; S146-D149 PolarHBondContact N-OD2 3.3Å; S146-D149 WeakPolarHBondContact O-CB 3.39Å; S146-D149 PolarHBondContact O-N 3.19Å; S146-D149 PolarHBondContact OG-OD2 2.94Å; D149-E151 VanDerWaalsContact C-N 3.31Å; D149-E151 PolarHBondContact O-N 3.33Å; D149-Q152 PolarHBondContact O-N 2.82Å; D149-Q152 VanDerWaalsContact O-N 3.13Å; D149-Y153 WeakPolarHBondContact O-CD2 3.39Å; D149-Y153 PolarHBondContact O-N 3.13Å
150V98.6Very high97.5Very high0 Ų056.4 Ų56.40%031%0.311CS..Hα-helixtrans-55.7-46.5168.5-177.60000110.7F145 S146 K148 Q152 Y153 V154 L175 L196 M203 M240 M331F145-V150 HydrophobicContact CE1-CG2 3.78Å; S146-V150 PolarHBondContact O-N 3.31Å; K148-V150 VanDerWaalsContact C-N 3.31Å; V150-Q152 VanDerWaalsContact C-N 3.31Å; V150-Q152 PolarHBondContact O-N 3.13Å; V150-Y153 PolarHBondContact O-N 3.36Å; V150-V154 HydrophobicContact CG1-CG2 3.95Å; V150-V154 WeakPolarHBondContact O-CB 3.33Å; V150-V154 WeakPolarHBondContact O-CG2 3.48Å; V150-V154 PolarHBondContact O-N 3.44Å; V150-L175 HydrophobicContact CG1-CD2 4.35Å; V150-L196 HydrophobicContact CG1-CD2 3.97Å; V150-M203 HydrophobicContact CB-SD 4.29Å; V150-M203 HydrophobicContact CG1-CE 4.07Å; V150-M203 HydrophobicContact CG1-SD 4.09Å; V150-M203 HydrophobicContact CG2-SD 4.08Å; V150-M240 HydrophobicContact CB-CE 4.34Å; V150-M240 HydrophobicContact CB-SD 4.4Å; V150-M240 HydrophobicContact CG1-CE 3.88Å; V150-M240 HydrophobicContact CG2-SD 4.15Å; V150-M331 HydrophobicContact CG2-CE 4.41Å; V150-M331 HydrophobicContact CG2-SD 3.68Å
151E98.3Very high97.3Very high61 Ų6157 Ų5729%0.28532%0.315SS..Hα-helixtrans-57.1-41.7175.2-155.3-175.5169.100112.8V147 K148 D149 G155 G156 S176 I179V147-E151 PolarHBondContact O-N 3.23Å; K148-E151 VanDerWaalsContact O-CB 3.27Å; K148-E151 WeakPolarHBondContact O-CB 3.46Å; K148-E151 PolarHBondContact O-N 2.83Å; D149-E151 VanDerWaalsContact C-N 3.31Å; D149-E151 PolarHBondContact O-N 3.33Å; E151-G155 CarbonylContact O-C 3.51Å; E151-G155 WeakPolarHBondContact O-CA 3.33Å; E151-G155 PolarHBondContact O-N 2.9Å; E151-G156 PolarHBondContact O-N 3.38Å; E151-S176 WeakPolarHBondContact OE1-CA 3.49Å; E151-S176 WeakPolarHBondContact OE1-CB 3.3Å; E151-I179 HydrophobicContact CB-CG1 4.17Å; E151-I179 HydrophobicContact CG-CG1 4.33Å; E151-I179 WeakPolarHBondContact OE2-CG2 3.14Å
152Q98.2Very high97.2Very high151 Ų15156.6 Ų56.671%0.70631%0.312SS*.Hα-helixtrans-70.8-38.2-179.3-178.2175.9-17.600113.3K148 D149 V150K148-Q152 PolarHBondContact O-N 2.87Å; D149-Q152 PolarHBondContact O-N 2.82Å; D149-Q152 VanDerWaalsContact O-N 3.13Å; V150-Q152 VanDerWaalsContact C-N 3.31Å; V150-Q152 PolarHBondContact O-N 3.13Å
153Y98.4Very high97.2Very high85 Ų8553.9 Ų53.933%0.33329%0.293SS..Hα-helixtrans-87.8-29-178-81.2-89.1000113.9F145 D149 V150 K202 L206F145-Y153 AromaticContact CE2-CD2 3.93Å; F145-Y153 HydrophobicContact CE2-CD2 3.93Å; F145-Y153 AromaticContact CE2-CE2 3.99Å; F145-Y153 HydrophobicContact CE2-CE2 3.99Å; F145-Y153 HydrophobicContact CZ-CD2 4.17Å; D149-Y153 WeakPolarHBondContact O-CD2 3.39Å; D149-Y153 PolarHBondContact O-N 3.13Å; V150-Y153 PolarHBondContact O-N 3.36Å; Y153-K202 HydrophobicContact CD1-CB 4.15Å; Y153-L206 HydrophobicContact CD1-CD1 3.99Å; Y153-L206 HydrophobicContact CD1-CG 4.38Å; Y153-L206 HydrophobicContact CD2-CD1 4.08Å; Y153-L206 HydrophobicContact CE1-CD1 3.89Å; Y153-L206 HydrophobicContact CE1-CD2 4.02Å; Y153-L206 HydrophobicContact CE1-CG 4.16Å; Y153-L206 HydrophobicContact CE2-CD1 3.99Å; Y153-L206 HydrophobicContact CG-CD1 4.09Å
154V98.3Very high97.2Very high18 Ų1850 Ų5011%0.10927%0.268CS..Hα-helixtrans-90.8-34.4177.6174.40000112V150 K158 L175 L196 F198 T201 M203V150-V154 HydrophobicContact CG1-CG2 3.95Å; V150-V154 WeakPolarHBondContact O-CB 3.33Å; V150-V154 WeakPolarHBondContact O-CG2 3.48Å; V150-V154 PolarHBondContact O-N 3.44Å; V154-K158 HydrophobicContact CG1-CB 3.99Å; V154-K158 HydrophobicContact CG1-CD 3.52Å; V154-K158 HydrophobicContact CG1-CG 4.32Å; V154-L175 HydrophobicContact CB-CD2 3.68Å; V154-L175 HydrophobicContact CG1-CD2 3.6Å; V154-L196 HydrophobicContact CG1-CD1 4.11Å; V154-F198 HydrophobicContact CG2-CB 4.39Å; V154-T201 HydrophobicContact CB-CG2 4.44Å; V154-T201 HydrophobicContact CG1-CG2 4.15Å; V154-T201 HydrophobicContact CG2-CG2 4.39Å; V154-M203 HydrophobicContact CG2-CB 4.18Å; V154-M203 HydrophobicContact CG2-CE 3.64Å; V154-M203 HydrophobicContact CG2-SD 4.01Å
155G97.8Very high97.2Very high31 Ų3144 Ų4432%0.3223%0.231SC..  trans94.7118.5-17300000112E151 D157 K158E151-G155 CarbonylContact O-C 3.51Å; E151-G155 WeakPolarHBondContact O-CA 3.33Å; E151-G155 PolarHBondContact O-N 2.9Å; G155-D157 PolarHBondContact O-N 3.28Å; G155-K158 PolarHBondContact O-N 3.14Å
156G96.6Very high97.1Very high15 Ų1544.8 Ų44.816%0.15524%0.24CC..THydrogen-bonded Turntrans-60.6-13.5-176.400000116.2E151 S176E151-G156 PolarHBondContact O-N 3.38Å; G156-S176 VanDerWaalsContact O-CB 3.23Å; G156-S176 WeakPolarHBondContact O-CB 3.43Å; G156-S176 PolarHBondContact O-N 2.9Å; G156-S176 PolarHBondContact O-OG 2.99Å
157D96.1Very high97Very high117 Ų11746.5 Ų46.563%0.62624%0.24SC*.THydrogen-bonded Turntrans-86.9-8174-78.9-54.9000114.3G155 V159 K174G155-D157 PolarHBondContact O-N 3.28Å; D157-V159 PolarHBondContact O-N 2.94Å; D157-K174 WeakPolarHBondContact OD1-CE 3.45Å; D157-K174 IonicContact OD1-NZ 2.64Å; D157-K174 PolarHBondContact OD1-NZ 2.88Å
158K96.3Very high96.9Very high55 Ų5549 Ų4924%0.23925%0.251CS..  trans-61.6122.8176-164.4173.7-168.4177.40108.8V154 G155 L175 L196 E197 D200V154-K158 HydrophobicContact CG1-CB 3.99Å; V154-K158 HydrophobicContact CG1-CD 3.52Å; V154-K158 HydrophobicContact CG1-CG 4.32Å; G155-K158 PolarHBondContact O-N 3.14Å; K158-L175 PolarHBondContact O-N 2.96Å; K158-L196 HydrophobicContact CD-CD1 4.16Å; K158-E197 PolarHBondContact NZ-O 3.24Å; K158-D200 IonicContact NZ-OD1 3.98Å; K158-D200 PolarHBondContact NZ-OD1 3.02Å; K158-D200 IonicContact NZ-OD2 2.72Å; K158-D200 PolarHBondContact NZ-OD2 3.29Å
159V94.9Very high96.7Very high90 Ų9044.2 Ų44.255%0.54524%0.235SC..EExtended strand (participates in β ladder)trans-73.2134.6173.5179.90000108.4D157 K172 M173D157-V159 PolarHBondContact O-N 2.94Å; V159-K172 HydrophobicContact CG1-CB 4.05Å; V159-K172 HydrophobicContact CG1-CD 4.33Å; V159-K172 HydrophobicContact CG1-CG 4.48Å; V159-M173 WeakPolarHBondContact CA-O 3.2Å
160I95.7Very high96.3Very high7 Ų746 Ų464%0.03625%0.245CC..EExtended strand (participates in β ladder)trans-131.1151.3-176.151.8165.2000110.7V162 K172 M173 L175 F178 L193 L196I160-V162 HydrophobicContact CD1-CG2 3.68Å; I160-V162 HydrophobicContact CG1-CG2 3.94Å; I160-K172 WeakPolarHBondContact O-CA 3.45Å; I160-M173 HydrophobicContact CG1-CG 4.36Å; I160-M173 VanDerWaalsContact CG1-O 3.29Å; I160-M173 WeakPolarHBondContact CG1-O 3.31Å; I160-M173 PolarHBondContact N-O 2.55Å; I160-M173 PolarHBondContact O-N 3.47Å; I160-L175 HydrophobicContact CD1-CB 4.39Å; I160-L175 HydrophobicContact CD1-CD1 4.13Å; I160-F178 HydrophobicContact CD1-CB 3.69Å; I160-F178 HydrophobicContact CD1-CD1 4.4Å; I160-F178 HydrophobicContact CD1-CG 4.03Å; I160-L193 HydrophobicContact CB-CD1 4.02Å; I160-L193 HydrophobicContact CD1-CD1 4.09Å; I160-L193 HydrophobicContact CD1-CD2 3.76Å; I160-L193 HydrophobicContact CD1-CG 4.5Å; I160-L196 HydrophobicContact CG2-CD1 4.01Å
161D93.8Very high95.9Very high39 Ų3946.3 Ų46.321%0.20925%0.247CC..EExtended strand (participates in β ladder)trans-90.4120.7173.9-76.2-77.1000110.1K172 L193 S195D161-K172 IonicContact OD1-NZ 2.72Å; D161-K172 PolarHBondContact OD1-NZ 3.4Å; D161-K172 IonicContact OD2-NZ 3.1Å; D161-K172 PolarHBondContact OD2-NZ 3.3Å; D161-L193 WeakPolarHBondContact O-CD1 3.36Å; D161-S195 PolarHBondContact O-OG 2.97Å
162V95.6Very high95.5Very high0 Ų048.2 Ų48.20%026%0.255CS..EExtended strand (participates in β ladder)trans-128.1128.2-172.3176.70000110I160 S171 M173 F178 L191 L193I160-V162 HydrophobicContact CD1-CG2 3.68Å; I160-V162 HydrophobicContact CG1-CG2 3.94Å; V162-S171 PolarHBondContact N-O 2.94Å; V162-S171 PolarHBondContact O-N 3.34Å; V162-S171 PolarHBondContact O-OG 2.88Å; V162-M173 HydrophobicContact CB-CG 4.35Å; V162-M173 HydrophobicContact CB-SD 4.05Å; V162-M173 HydrophobicContact CG1-SD 4.07Å; V162-M173 HydrophobicContact CG2-CG 3.85Å; V162-M173 HydrophobicContact CG2-SD 3.89Å; V162-F178 HydrophobicContact CG1-CD2 3.88Å; V162-F178 HydrophobicContact CG1-CE2 3.97Å; V162-F178 HydrophobicContact CG2-CD2 3.88Å; V162-F178 HydrophobicContact CG2-CE2 4.42Å; V162-F178 HydrophobicContact CG2-CG 4.44Å; V162-L191 HydrophobicContact CG1-CB 3.75Å; V162-L191 HydrophobicContact CG1-CD1 4.27Å; V162-L191 HydrophobicContact CG1-CD2 4.48Å; V162-L191 HydrophobicContact CG1-CG 4.39Å; V162-L193 HydrophobicContact CG2-CD1 4.25Å
163I96.1Very high95.3Very high20 Ų2041.4 Ų41.410%0.10322%0.223CC..EExtended strand (participates in β ladder)trans-87.9123.4-176-57.6166.1000109.9V165 D170 L191 N192 I194I163-V165 HydrophobicContact CG2-CG2 4.35Å; I163-V165 PolarHBondContact O-N 3.08Å; I163-D170 WeakPolarHBondContact CG1-OD1 3.47Å; I163-L191 WeakPolarHBondContact O-CA 3.41Å; I163-N192 HydrophobicContact CB-CB 4.48Å; I163-N192 PolarHBondContact N-O 2.88Å; I163-N192 PolarHBondContact O-N 2.86Å; I163-N192 VanDerWaalsContact O-N 3.1Å; I163-I194 HydrophobicContact CD1-CD1 3.67Å; I163-I194 HydrophobicContact CD1-CG1 3.92Å
164D97Very high95.2Very high3 Ų340.9 Ų40.92%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-75.295.4160.8-174.7-18.6000108.2A166 R167 Q168 A169 K189 L191D164-A166 PolarHBondContact O-N 3.03Å; D164-A166 PolarHBondContact OD1-N 2.93Å; D164-R167 HydrophobicContact CB-CB 4.34Å; D164-R167 CarbonylContact O-C 3.58Å; D164-R167 PolarHBondContact O-N 2.87Å; D164-R167 WeakPolarHBondContact OD2-CD 3.42Å; D164-R167 IonicContact OD2-NH1 3.36Å; D164-Q168 PolarHBondContact O-N 3.38Å; D164-A169 PolarHBondContact N-O 3.48Å; D164-A169 PolarHBondContact O-N 2.81Å; D164-K189 WeakPolarHBondContact OD2-CD 3.4Å; D164-K189 WeakPolarHBondContact OD2-CE 3.41Å; D164-K189 IonicContact OD2-NZ 3.67Å; D164-K189 PolarHBondContact OD2-NZ 3.35Å; D164-L191 HydrophobicContact CB-CD2 4.29Å
165V97.8Very high95.1Very high0 Ų040 Ų400%022%0.217CC..G310 helixtrans-60.4-36.5-169171.40000111.7G86 I163 R167 Q168 V190 N192 Y246G86-V165 CarbonylContact C-O 3.6Å; G86-V165 WeakPolarHBondContact CA-O 3.35Å; I163-V165 HydrophobicContact CG2-CG2 4.35Å; I163-V165 PolarHBondContact O-N 3.08Å; V165-R167 PolarHBondContact O-N 3.27Å; V165-Q168 PolarHBondContact O-N 3.19Å; V165-Q168 PolarHBondContact O-NE2 2.96Å; V165-V190 HydrophobicContact CB-CB 4.12Å; V165-V190 HydrophobicContact CB-CG1 3.77Å; V165-V190 WeakPolarHBondContact CB-O 3.47Å; V165-V190 HydrophobicContact CG1-CG1 4.08Å; V165-V190 HydrophobicContact CG2-CG1 3.91Å; V165-V190 PolarHBondContact N-O 3.04Å; V165-N192 HydrophobicContact CG2-CB 3.63Å; V165-Y246 VanDerWaalsContact CG1-N 3.33Å
166A97.1Very high95.1Very high28 Ų2840 Ų4023%0.23121%0.212CC..G310 helixtrans-70.1-13.218000000113.4H71 D164H71-A166 PolarHBondContact CD2-O 3.1Å; H71-A166 VanDerWaalsContact CD2-O 3.3Å; D164-A166 PolarHBondContact O-N 3.03Å; D164-A166 PolarHBondContact OD1-N 2.93Å
167R96.3Very high95Very high74 Ų7442 Ų4228%0.27922%0.217SC..G310 helixtrans-115.5-6.9177.6-65.4-177.455.4-108.7-5.8113.6D164 V165 A169D164-R167 HydrophobicContact CB-CB 4.34Å; D164-R167 CarbonylContact O-C 3.58Å; D164-R167 PolarHBondContact O-N 2.87Å; D164-R167 WeakPolarHBondContact OD2-CD 3.42Å; D164-R167 IonicContact OD2-NH1 3.36Å; V165-R167 PolarHBondContact O-N 3.27Å; R167-A169 HydrophobicContact CB-CB 4.19Å; R167-A169 PolarHBondContact O-N 2.91Å
168Q96.4Very high95.1Very high61 Ų6136.4 Ų36.429%0.28519%0.187SC..THydrogen-bonded Turntrans4548.3-169.9-64.7-68.8-75.500112A85 D164 V165 Y246A85-Q168 HydrophobicContact CB-CG 4.41Å; A85-Q168 WeakPolarHBondContact O-CG 3.49Å; D164-Q168 PolarHBondContact O-N 3.38Å; V165-Q168 PolarHBondContact O-N 3.19Å; V165-Q168 PolarHBondContact O-NE2 2.96Å; Q168-Y246 PolarHBondContact NE2-O 3.32Å
169A93.6Very high95.2Very high25 Ų2534 Ų3421%0.20718%0.177CC..EExtended strand (participates in β ladder)trans-134.5133.8-175.100000111.5D164 R167D164-A169 PolarHBondContact N-O 3.48Å; D164-A169 PolarHBondContact O-N 2.81Å; R167-A169 HydrophobicContact CB-CB 4.19Å; R167-A169 PolarHBondContact O-N 2.91Å
170D90.1Very high95.2Very high85 Ų8536.3 Ų36.346%0.45518%0.18SC..EExtended strand (participates in β ladder)trans-72.1157.8174.2-55.1-77.2000112.5I163I163-D170 WeakPolarHBondContact CG1-OD1 3.47Å
171S90.3Very high95.2Very high8 Ų836.3 Ų36.36%0.05618%0.18CC..EExtended strand (participates in β ladder)trans-155.4154.217462.10000109.9V162V162-S171 PolarHBondContact N-O 2.94Å; V162-S171 PolarHBondContact O-N 3.34Å; V162-S171 PolarHBondContact O-OG 2.88Å
172K90.1Very high95.4Very high101 Ų10135.1 Ų35.144%0.43917%0.173SC..EExtended strand (participates in β ladder)trans-102.6133.3176.9-66.4-172.1-174-590111.5E39 V159 I160 D161E39-K172 PolarHBondContact OE2-N 3.35Å; V159-K172 HydrophobicContact CG1-CB 4.05Å; V159-K172 HydrophobicContact CG1-CD 4.33Å; V159-K172 HydrophobicContact CG1-CG 4.48Å; I160-K172 WeakPolarHBondContact O-CA 3.45Å; D161-K172 IonicContact OD1-NZ 2.72Å; D161-K172 PolarHBondContact OD1-NZ 3.4Å; D161-K172 IonicContact OD2-NZ 3.1Å; D161-K172 PolarHBondContact OD2-NZ 3.3Å
173M93.2Very high95.4Very high7 Ų738.6 Ų38.63%0.03419%0.194CC..EExtended strand (participates in β ladder)trans-147.4170.1172.468.3-167.2-50.600110.7E38 V159 I160 V162 E177 F178 L191E38-M173 WeakPolarHBondContact OE2-CE 3.46Å; V159-M173 WeakPolarHBondContact CA-O 3.2Å; I160-M173 HydrophobicContact CG1-CG 4.36Å; I160-M173 VanDerWaalsContact CG1-O 3.29Å; I160-M173 WeakPolarHBondContact CG1-O 3.31Å; I160-M173 PolarHBondContact N-O 2.55Å; I160-M173 PolarHBondContact O-N 3.47Å; V162-M173 HydrophobicContact CB-CG 4.35Å; V162-M173 HydrophobicContact CB-SD 4.05Å; V162-M173 HydrophobicContact CG1-SD 4.07Å; V162-M173 HydrophobicContact CG2-CG 3.85Å; V162-M173 HydrophobicContact CG2-SD 3.89Å; M173-E177 HydrophobicContact CE-CB 3.74Å; M173-F178 HydrophobicContact CE-CB 4.46Å; M173-F178 HydrophobicContact CG-CB 4.37Å; M173-F178 HydrophobicContact SD-CB 4.07Å; M173-F178 HydrophobicContact SD-CD2 4.27Å; M173-L191 HydrophobicContact SD-CD1 4.41Å
174K95.7Very high95.3Very high75 Ų7541.6 Ų41.633%0.32621%0.206SC..EExtended strand (participates in β ladder)trans-75.7150.5171.6-66.7-175.5172.6-168.60111.3D157 S176 E177 F178D157-K174 WeakPolarHBondContact OD1-CE 3.45Å; D157-K174 IonicContact OD1-NZ 2.64Å; D157-K174 PolarHBondContact OD1-NZ 2.88Å; K174-S176 VanDerWaalsContact C-N 3.31Å; K174-S176 PolarHBondContact O-N 2.98Å; K174-E177 HydrophobicContact CB-CB 4.31Å; K174-E177 HydrophobicContact CB-CG 3.99Å; K174-E177 WeakPolarHBondContact CB-OE2 3.3Å; K174-E177 PolarHBondContact N-OE2 2.91Å; K174-E177 WeakPolarHBondContact O-CB 3.44Å; K174-E177 PolarHBondContact O-N 2.98Å; K174-E177 VanDerWaalsContact O-N 3.11Å; K174-F178 PolarHBondContact O-N 3.1Å
175L97.9Very high95Very high0 Ų048.3 Ų48.30%025%0.25CC..Hα-helixtrans-54-47.3170.7178.759.9000111.5V150 V154 K158 I160 E177 F178 I179 L196 M240V150-L175 HydrophobicContact CG1-CD2 4.35Å; V154-L175 HydrophobicContact CB-CD2 3.68Å; V154-L175 HydrophobicContact CG1-CD2 3.6Å; K158-L175 PolarHBondContact O-N 2.96Å; I160-L175 HydrophobicContact CD1-CB 4.39Å; I160-L175 HydrophobicContact CD1-CD1 4.13Å; L175-E177 VanDerWaalsContact C-N 3.27Å; L175-E177 PolarHBondContact O-N 3.46Å; L175-F178 CarbonylContact O-C 3.52Å; L175-F178 PolarHBondContact O-N 3.27Å; L175-F178 VanDerWaalsContact O-N 3.1Å; L175-I179 HydrophobicContact CD1-CD1 4.09Å; L175-I179 HydrophobicContact CD1-CG1 3.93Å; L175-I179 HydrophobicContact CG-CG1 4.17Å; L175-I179 VanDerWaalsContact O-CG1 3.29Å; L175-I179 WeakPolarHBondContact O-CG1 3.18Å; L175-I179 PolarHBondContact O-N 3.41Å; L175-L196 HydrophobicContact CD1-CD2 4.3Å; L175-M240 HydrophobicContact CD1-CE 3.96Å
176S97.1Very high94.7Very high31 Ų3155.3 Ų55.322%0.21728%0.282CS..Hα-helixtrans-56-37176.451.20000113.9E151 G156 K174 K180E151-S176 WeakPolarHBondContact OE1-CA 3.49Å; E151-S176 WeakPolarHBondContact OE1-CB 3.3Å; G156-S176 VanDerWaalsContact O-CB 3.23Å; G156-S176 WeakPolarHBondContact O-CB 3.43Å; G156-S176 PolarHBondContact O-N 2.9Å; G156-S176 PolarHBondContact O-OG 2.99Å; K174-S176 VanDerWaalsContact C-N 3.31Å; K174-S176 PolarHBondContact O-N 2.98Å; S176-K180 WeakPolarHBondContact O-CB 3.46Å; S176-K180 PolarHBondContact O-N 3.4Å
177E94.9Very high94.5Very high55 Ų5557.3 Ų57.326%0.25728%0.284SS..Hα-helixtrans-69.5-42.8176.7-66.4162169.500110.6M173 K174 L175 K180 Y181M173-E177 HydrophobicContact CE-CB 3.74Å; K174-E177 HydrophobicContact CB-CB 4.31Å; K174-E177 HydrophobicContact CB-CG 3.99Å; K174-E177 WeakPolarHBondContact CB-OE2 3.3Å; K174-E177 PolarHBondContact N-OE2 2.91Å; K174-E177 WeakPolarHBondContact O-CB 3.44Å; K174-E177 PolarHBondContact O-N 2.98Å; K174-E177 VanDerWaalsContact O-N 3.11Å; L175-E177 VanDerWaalsContact C-N 3.27Å; L175-E177 PolarHBondContact O-N 3.46Å; E177-K180 PolarHBondContact O-N 2.84Å; E177-Y181 PolarHBondContact O-N 2.8Å
178F97.2Very high94.1Very high0 Ų058 Ų580%030%0.298CS..Hα-helixtrans-65-41.1174-179.8-95.4000112.6I160 V162 M173 K174 L175 Y181 F182 L191 L193 M240I160-F178 HydrophobicContact CD1-CB 3.69Å; I160-F178 HydrophobicContact CD1-CD1 4.4Å; I160-F178 HydrophobicContact CD1-CG 4.03Å; V162-F178 HydrophobicContact CG1-CD2 3.88Å; V162-F178 HydrophobicContact CG1-CE2 3.97Å; V162-F178 HydrophobicContact CG2-CD2 3.88Å; V162-F178 HydrophobicContact CG2-CE2 4.42Å; V162-F178 HydrophobicContact CG2-CG 4.44Å; M173-F178 HydrophobicContact CE-CB 4.46Å; M173-F178 HydrophobicContact CG-CB 4.37Å; M173-F178 HydrophobicContact SD-CB 4.07Å; M173-F178 HydrophobicContact SD-CD2 4.27Å; K174-F178 PolarHBondContact O-N 3.1Å; L175-F178 CarbonylContact O-C 3.52Å; L175-F178 PolarHBondContact O-N 3.27Å; L175-F178 VanDerWaalsContact O-N 3.1Å; F178-Y181 HydrophobicContact CD2-CD1 4.21Å; F178-Y181 HydrophobicContact CE2-CD1 4.21Å; F178-Y181 HydrophobicContact CE2-CE1 4.36Å; F178-Y181 CarbonylContact O-C 3.57Å; F178-Y181 WeakPolarHBondContact O-CA 3.31Å; F178-Y181 WeakPolarHBondContact O-CB 3.46Å; F178-Y181 PolarHBondContact O-N 3.14Å; F178-Y181 VanDerWaalsContact O-N 3.13Å; F178-F182 HydrophobicContact CE1-CD2 4.05Å; F178-F182 HydrophobicContact CZ-CD2 4.06Å; F178-F182 WeakPolarHBondContact O-CB 3.5Å; F178-F182 PolarHBondContact O-N 3.23Å; F178-L191 HydrophobicContact CE2-CB 4.15Å; F178-L193 HydrophobicContact CD1-CD2 4.26Å; F178-L193 HydrophobicContact CE1-CB 4.07Å; F178-L193 HydrophobicContact CE1-CD2 4.19Å; F178-L193 HydrophobicContact CE2-CB 4.15Å; F178-L193 HydrophobicContact CZ-CB 3.78Å; F178-M240 HydrophobicContact CD1-CE 4.31Å; F178-M240 HydrophobicContact CE1-CB 3.8Å; F178-M240 HydrophobicContact CE1-CE 4.11Å; F178-M240 HydrophobicContact CZ-CB 4.21Å; F178-M240 WeakPolarHBondContact CZ-O 3.48Å
179I97.7Very high93.9Very high4 Ų456.5 Ų56.52%0.02129%0.291CS..Hα-helixtrans-65.4-40.6176-64-51.9000111.2V147 K148 E151 L175 Y181 F182 T183 M240V147-I179 HydrophobicContact CB-CD1 3.63Å; V147-I179 HydrophobicContact CG2-CD1 3.98Å; V147-I179 HydrophobicContact CG2-CG2 4.26Å; V147-I179 WeakPolarHBondContact O-CD1 3.28Å; K148-I179 HydrophobicContact CG-CG2 4.21Å; E151-I179 HydrophobicContact CB-CG1 4.17Å; E151-I179 HydrophobicContact CG-CG1 4.33Å; E151-I179 WeakPolarHBondContact OE2-CG2 3.14Å; L175-I179 HydrophobicContact CD1-CD1 4.09Å; L175-I179 HydrophobicContact CD1-CG1 3.93Å; L175-I179 HydrophobicContact CG-CG1 4.17Å; L175-I179 VanDerWaalsContact O-CG1 3.29Å; L175-I179 WeakPolarHBondContact O-CG1 3.18Å; L175-I179 PolarHBondContact O-N 3.41Å; I179-Y181 VanDerWaalsContact C-N 3.28Å; I179-Y181 PolarHBondContact O-N 2.72Å; I179-F182 PolarHBondContact O-N 3.28Å; I179-T183 HydrophobicContact CG2-CG2 4.49Å; I179-T183 WeakPolarHBondContact O-CB 3.35Å; I179-T183 WeakPolarHBondContact O-CG2 3.19Å; I179-T183 PolarHBondContact O-N 2.79Å; I179-T183 PolarHBondContact O-OG1 2.88Å; I179-M240 HydrophobicContact CD1-CE 3.96Å; I179-M240 HydrophobicContact CD1-SD 4.1Å
180K96Very high94.1Very high139 Ų13957.4 Ų57.460%0.60429%0.293SS*.Hα-helixtrans-65.7-27.3171.4-177.6-176.1177.7-170.90112.9S176 E177 K184S176-K180 WeakPolarHBondContact O-CB 3.46Å; S176-K180 PolarHBondContact O-N 3.4Å; E177-K180 PolarHBondContact O-N 2.84Å; K180-K184 VanDerWaalsContact O-CE 3.3Å; K180-K184 WeakPolarHBondContact O-CE 3.38Å; K180-K184 WeakPolarHBondContact O-CG 3.37Å
181Y96Very high94.4Very high8 Ų853.4 Ų53.43%0.03127%0.272CS..Hα-helixtrans-73-50.7168.6155.9-88.7000111.2E177 F178 I179 T183 K184 R187 K189 L191 V242E177-Y181 PolarHBondContact O-N 2.8Å; F178-Y181 HydrophobicContact CD2-CD1 4.21Å; F178-Y181 HydrophobicContact CE2-CD1 4.21Å; F178-Y181 HydrophobicContact CE2-CE1 4.36Å; F178-Y181 CarbonylContact O-C 3.57Å; F178-Y181 WeakPolarHBondContact O-CA 3.31Å; F178-Y181 WeakPolarHBondContact O-CB 3.46Å; F178-Y181 PolarHBondContact O-N 3.14Å; F178-Y181 VanDerWaalsContact O-N 3.13Å; I179-Y181 VanDerWaalsContact C-N 3.28Å; I179-Y181 PolarHBondContact O-N 2.72Å; Y181-T183 VanDerWaalsContact C-N 3.29Å; Y181-T183 PolarHBondContact O-N 3.49Å; Y181-K184 WeakPolarHBondContact O-CB 3.41Å; Y181-K184 PolarHBondContact O-N 3.36Å; Y181-K184 VanDerWaalsContact O-N 3.14Å; Y181-R187 HydrophobicContact CE2-CB 3.83Å; Y181-R187 HydrophobicContact CE2-CG 4.2Å; Y181-K189 WeakPolarHBondContact CE2-O 3.28Å; Y181-K189 PolarHBondContact OH-O 2.83Å; Y181-L191 HydrophobicContact CD1-CB 4.25Å; Y181-L191 HydrophobicContact CD1-CD1 4.05Å; Y181-L191 HydrophobicContact CD2-CD1 3.81Å; Y181-L191 HydrophobicContact CD2-CG 4.36Å; Y181-L191 HydrophobicContact CE1-CB 3.63Å; Y181-L191 HydrophobicContact CE1-CD1 4.1Å; Y181-L191 HydrophobicContact CE1-CG 4.05Å; Y181-L191 HydrophobicContact CE2-CB 4.34Å; Y181-L191 HydrophobicContact CE2-CD1 3.82Å; Y181-L191 HydrophobicContact CE2-CG 3.85Å; Y181-L191 HydrophobicContact CG-CD1 3.94Å; Y181-L191 PolarHBondContact OH-N 2.93Å; Y181-V242 HydrophobicContact CE1-CG1 3.82Å
182F97.5Very high94.8Very high14 Ų1453 Ų536%0.06127%0.269CS..Hα-helixtrans-61.4-39-174.4-164.4-76.5000111.1V147 F178 I179 K184 R187 M240 V242 W264 D329V147-F182 HydrophobicContact CG1-CD1 3.95Å; V147-F182 HydrophobicContact CG1-CE1 3.82Å; V147-F182 HydrophobicContact CG1-CG 4.41Å; V147-F182 HydrophobicContact CG1-CZ 4.17Å; V147-F182 HydrophobicContact CG2-CD1 3.99Å; V147-F182 HydrophobicContact CG2-CG 4.48Å; F178-F182 HydrophobicContact CE1-CD2 4.05Å; F178-F182 HydrophobicContact CZ-CD2 4.06Å; F178-F182 WeakPolarHBondContact O-CB 3.5Å; F178-F182 PolarHBondContact O-N 3.23Å; I179-F182 PolarHBondContact O-N 3.28Å; F182-K184 VanDerWaalsContact C-N 3.29Å; F182-K184 PolarHBondContact O-N 2.9Å; F182-R187 VanDerWaalsContact O-CZ 3.32Å; F182-R187 PolarHBondContact O-NE 3.47Å; F182-R187 PolarHBondContact O-NH2 3.32Å; F182-M240 HydrophobicContact CE2-CB 4.43Å; F182-V242 HydrophobicContact CD2-CG1 3.65Å; F182-V242 HydrophobicContact CE2-CG1 3.71Å; F182-V242 HydrophobicContact CG-CG1 4.38Å; F182-V242 HydrophobicContact CZ-CG1 4.46Å; F182-W264 AromaticContact CE1-CH2 3.97Å; F182-W264 HydrophobicContact CE1-CH2 3.97Å; F182-W264 HydrophobicContact CE1-CZ3 4.41Å; F182-W264 AromaticContact CZ-CH2 3.86Å; F182-W264 HydrophobicContact CZ-CH2 3.86Å; F182-W264 HydrophobicContact CZ-CZ3 4.11Å; F182-D329 HydrophobicContact CZ-CB 4.19Å
183T96.2Very high95.2Very high73 Ų7348.2 Ų48.245%0.44825%0.248SC..THydrogen-bonded Turntrans-78.70.5-179.3530000115.2V147 I179 Y181V147-T183 HydrophobicContact CG2-CG2 4.09Å; I179-T183 HydrophobicContact CG2-CG2 4.49Å; I179-T183 WeakPolarHBondContact O-CB 3.35Å; I179-T183 WeakPolarHBondContact O-CG2 3.19Å; I179-T183 PolarHBondContact O-N 2.79Å; I179-T183 PolarHBondContact O-OG1 2.88Å; Y181-T183 VanDerWaalsContact C-N 3.29Å; Y181-T183 PolarHBondContact O-N 3.49Å
184K94.3Very high95.4Very high82 Ų8250.5 Ų50.536%0.35726%0.26SS..  trans-76.2138.2171.7-71.9163.7-172.6169.60111.1K180 Y181 F182 H186K180-K184 VanDerWaalsContact O-CE 3.3Å; K180-K184 WeakPolarHBondContact O-CE 3.38Å; K180-K184 WeakPolarHBondContact O-CG 3.37Å; Y181-K184 WeakPolarHBondContact O-CB 3.41Å; Y181-K184 PolarHBondContact O-N 3.36Å; Y181-K184 VanDerWaalsContact O-N 3.14Å; F182-K184 VanDerWaalsContact C-N 3.29Å; F182-K184 PolarHBondContact O-N 2.9Å; K184-H186 VanDerWaalsContact C-N 3.29Å; K184-H186 PolarHBondContact O-N 3.03Å
185P88.9Confident95.4Very high144 Ų14449.6 Ų49.694%0.93526%0.263SS*.SBendtrans-71.9-22.3175.230.1-35.8000113.2
186H92.1Very high95.3Very high148 Ų14849.9 Ų49.969%0.68527%0.265SS*.SBendtrans-123.1121.9172.8-179.3-78.5000109.6K184K184-H186 VanDerWaalsContact C-N 3.29Å; K184-H186 PolarHBondContact O-N 3.03Å
187R93.1Very high95.4Very high69 Ų6949.7 Ų49.726%0.2626%0.26SS..  trans-112.9119.1-176.7-56.5-174.4-167.4123.1-3.4109Y181 F182 K189 D329Y181-R187 HydrophobicContact CE2-CB 3.83Å; Y181-R187 HydrophobicContact CE2-CG 4.2Å; F182-R187 VanDerWaalsContact O-CZ 3.32Å; F182-R187 PolarHBondContact O-NE 3.47Å; F182-R187 PolarHBondContact O-NH2 3.32Å; R187-K189 VanDerWaalsContact C-N 3.27Å; R187-K189 PolarHBondContact O-N 3.32Å; R187-D329 IonicContact CZ-OD1 2.78Å; R187-D329 IonicContact CZ-OD2 2.81Å; R187-D329 VanDerWaalsContact CZ-OD2 3.26Å; R187-D329 IonicContact NH1-OD1 2.87Å; R187-D329 PolarHBondContact NH1-OD1 2.95Å; R187-D329 IonicContact NH1-OD2 2.77Å; R187-D329 PolarHBondContact NH1-OD2 3.41Å; R187-D329 IonicContact NH2-OD1 2.66Å; R187-D329 IonicContact NH2-OD2 2.64Å; R187-D329 PolarHBondContact NH2-OD2 3.25Å
188P87.3Confident95.5Very high89 Ų8947 Ų4758%0.57825%0.248SC*.SBendtrans-75.6-17-174.331.2-36.1000113.5
189K93.3Very high95.5Very high30 Ų3048.4 Ų48.413%0.1326%0.257CS..SBendtrans-133.9162.8174.8-71.1-168.5170.6-169.50110H40 D44 D164 Y181 R187 L191H40-K189 PolarHBondContact O-NZ 2.86Å; D44-K189 VanDerWaalsContact CG-CE 3.47Å; D44-K189 VanDerWaalsContact OD1-CE 3.23Å; D44-K189 WeakPolarHBondContact OD1-CE 3.44Å; D44-K189 IonicContact OD1-NZ 3.79Å; D44-K189 PolarHBondContact OD1-NZ 3.43Å; D44-K189 WeakPolarHBondContact OD2-CE 3.42Å; D44-K189 IonicContact OD2-NZ 3.66Å; D44-K189 PolarHBondContact OD2-NZ 2.99Å; D164-K189 WeakPolarHBondContact OD2-CD 3.4Å; D164-K189 WeakPolarHBondContact OD2-CE 3.41Å; D164-K189 IonicContact OD2-NZ 3.67Å; D164-K189 PolarHBondContact OD2-NZ 3.35Å; Y181-K189 WeakPolarHBondContact CE2-O 3.28Å; Y181-K189 PolarHBondContact OH-O 2.83Å; R187-K189 VanDerWaalsContact C-N 3.27Å; R187-K189 PolarHBondContact O-N 3.32Å; K189-L191 HydrophobicContact CB-CD2 4.12Å; K189-L191 HydrophobicContact CB-CG 4.37Å
190V97Very high95.4Very high44 Ų4453.8 Ų53.827%0.26729%0.286SS..  trans-97.5108.4168.8178.80000107.3V165 V242 S245V165-V190 HydrophobicContact CB-CB 4.12Å; V165-V190 HydrophobicContact CB-CG1 3.77Å; V165-V190 WeakPolarHBondContact CB-O 3.47Å; V165-V190 HydrophobicContact CG1-CG1 4.08Å; V165-V190 HydrophobicContact CG2-CG1 3.91Å; V165-V190 PolarHBondContact N-O 3.04Å; V190-V242 HydrophobicContact CB-CG2 4.47Å; V190-V242 HydrophobicContact CG1-CG2 3.84Å; V190-S245 WeakPolarHBondContact CG1-OG 3.36Å
191L97.4Very high95.5Very high0 Ų048.2 Ų48.20%026%0.264CS..EExtended strand (participates in β ladder)trans-112.6137179.1-56.2-177.4000110.6V162 I163 D164 M173 F178 Y181 K189V162-L191 HydrophobicContact CG1-CB 3.75Å; V162-L191 HydrophobicContact CG1-CD1 4.27Å; V162-L191 HydrophobicContact CG1-CD2 4.48Å; V162-L191 HydrophobicContact CG1-CG 4.39Å; I163-L191 WeakPolarHBondContact O-CA 3.41Å; D164-L191 HydrophobicContact CB-CD2 4.29Å; M173-L191 HydrophobicContact SD-CD1 4.41Å; F178-L191 HydrophobicContact CE2-CB 4.15Å; Y181-L191 HydrophobicContact CD1-CB 4.25Å; Y181-L191 HydrophobicContact CD1-CD1 4.05Å; Y181-L191 HydrophobicContact CD2-CD1 3.81Å; Y181-L191 HydrophobicContact CD2-CG 4.36Å; Y181-L191 HydrophobicContact CE1-CB 3.63Å; Y181-L191 HydrophobicContact CE1-CD1 4.1Å; Y181-L191 HydrophobicContact CE1-CG 4.05Å; Y181-L191 HydrophobicContact CE2-CB 4.34Å; Y181-L191 HydrophobicContact CE2-CD1 3.82Å; Y181-L191 HydrophobicContact CE2-CG 3.85Å; Y181-L191 HydrophobicContact CG-CD1 3.94Å; Y181-L191 PolarHBondContact OH-N 2.93Å; K189-L191 HydrophobicContact CB-CD2 4.12Å; K189-L191 HydrophobicContact CB-CG 4.37Å
192N98.2Very high95.5Very high1 Ų155 Ų551%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-129.6129.7-174.9-171.431.2000110.7I163 V165 I194 G241 T247I163-N192 HydrophobicContact CB-CB 4.48Å; I163-N192 PolarHBondContact N-O 2.88Å; I163-N192 PolarHBondContact O-N 2.86Å; I163-N192 VanDerWaalsContact O-N 3.1Å; V165-N192 HydrophobicContact CG2-CB 3.63Å; N192-I194 WeakPolarHBondContact ND2-CG2 3.34Å; N192-G241 VanDerWaalsContact OD1-CA 3.28Å; N192-G241 WeakPolarHBondContact OD1-CA 3.4Å; N192-T247 PolarHBondContact ND2-OG1 2.95Å
193L98.3Very high95.6Very high0 Ų054.3 Ų54.30%029%0.291CS..EExtended strand (participates in β ladder)trans-110.5116175.5175.762.7000109.3I160 D161 V162 F178 L196 L239 M240I160-L193 HydrophobicContact CB-CD1 4.02Å; I160-L193 HydrophobicContact CD1-CD1 4.09Å; I160-L193 HydrophobicContact CD1-CD2 3.76Å; I160-L193 HydrophobicContact CD1-CG 4.5Å; D161-L193 WeakPolarHBondContact O-CD1 3.36Å; V162-L193 HydrophobicContact CG2-CD1 4.25Å; F178-L193 HydrophobicContact CD1-CD2 4.26Å; F178-L193 HydrophobicContact CE1-CB 4.07Å; F178-L193 HydrophobicContact CE1-CD2 4.19Å; F178-L193 HydrophobicContact CE2-CB 4.15Å; F178-L193 HydrophobicContact CZ-CB 3.78Å; L193-L196 HydrophobicContact CD1-CB 4.09Å; L193-L196 HydrophobicContact CD2-CB 3.96Å; L193-L196 HydrophobicContact CD2-CD2 3.95Å; L193-L196 HydrophobicContact CG-CB 4.12Å; L193-L239 CarbonylContact O-C 3.6Å; L193-L239 WeakPolarHBondContact O-CA 3.47Å; L193-M240 HydrophobicContact CB-CB 4.5Å; L193-M240 HydrophobicContact CD2-CE 3.65Å; L193-M240 PolarHBondContact N-O 2.92Å; L193-M240 PolarHBondContact O-N 3.49Å
194I96.9Very high95.6Very high55 Ų5551.6 Ų51.628%0.28228%0.276SS..EExtended strand (participates in β ladder)trans-120.9-14-178.162.5170.5000114.2I163 N192 L239 T247I163-I194 HydrophobicContact CD1-CD1 3.67Å; I163-I194 HydrophobicContact CD1-CG1 3.92Å; N192-I194 WeakPolarHBondContact ND2-CG2 3.34Å; I194-L239 HydrophobicContact CB-CD2 3.97Å; I194-L239 HydrophobicContact CG2-CD2 4.17Å; I194-T247 HydrophobicContact CD1-CG2 4.46Å
195S95.3Very high95.8Very high55 Ų5554.6 Ų54.639%0.38529%0.291SS..EExtended strand (participates in β ladder)trans-113.58.6-164.450.70000114.5D161 E197D161-S195 PolarHBondContact O-OG 2.97Å; S195-E197 VanDerWaalsContact C-N 3.34Å; S195-E197 PolarHBondContact O-N 2.89Å
196L97.8Very high96.3Very high6 Ų649.4 Ų49.43%0.03126%0.255CS..EExtended strand (participates in β ladder)trans-70.987.1177.217256000110.8V150 V154 K158 I160 L175 L193 Y237 C238 M240V150-L196 HydrophobicContact CG1-CD2 3.97Å; V154-L196 HydrophobicContact CG1-CD1 4.11Å; K158-L196 HydrophobicContact CD-CD1 4.16Å; I160-L196 HydrophobicContact CG2-CD1 4.01Å; L175-L196 HydrophobicContact CD1-CD2 4.3Å; L193-L196 HydrophobicContact CD1-CB 4.09Å; L193-L196 HydrophobicContact CD2-CB 3.96Å; L193-L196 HydrophobicContact CD2-CD2 3.95Å; L193-L196 HydrophobicContact CG-CB 4.12Å; L196-Y237 WeakPolarHBondContact O-CA 3.18Å; L196-C238 HydrophobicContact CD2-CB 4.33Å; L196-C238 HydrophobicContact CG-CB 4.4Å; L196-C238 PolarHBondContact O-N 2.82Å; L196-M240 HydrophobicContact CD2-CE 4.32Å
197E97.7Very high96.6Very high27 Ų2742.3 Ų42.313%0.12622%0.222CC..EExtended strand (participates in β ladder)trans-73.1135.3165-131.9-75.3167.500109.3K158 S195 S199 Q235 K236 Y237K158-E197 PolarHBondContact NZ-O 3.24Å; S195-E197 VanDerWaalsContact C-N 3.34Å; S195-E197 PolarHBondContact O-N 2.89Å; E197-S199 VanDerWaalsContact CD-OG 3.31Å; E197-S199 PolarHBondContact OE1-OG 2.84Å; E197-S199 WeakPolarHBondContact OE2-CB 3.46Å; E197-S199 PolarHBondContact OE2-N 3.19Å; E197-S199 PolarHBondContact OE2-OG 2.81Å; E197-S199 VanDerWaalsContact OE2-OG 3.07Å; E197-Q235 PolarHBondContact OE1-N 3.45Å; E197-Q235 VanDerWaalsContact OE1-N 3.15Å; E197-K236 WeakPolarHBondContact CA-O 3.46Å; E197-K236 PolarHBondContact OE1-N 2.64Å; E197-Y237 HydrophobicContact CB-CD1 3.89Å; E197-Y237 HydrophobicContact CB-CE1 3.64Å; E197-Y237 HydrophobicContact CG-CD1 3.83Å; E197-Y237 HydrophobicContact CG-CE1 3.49Å; E197-Y237 VanDerWaalsContact CG-CE1 3.49Å; E197-Y237 HydrophobicContact CG-CE2 4.43Å; E197-Y237 HydrophobicContact CG-CG 4.43Å
198F98Very high96.8Very high0 Ų042.5 Ų42.50%023%0.226CC..  trans-132.211.3-170.969.6-96.2000114.5V154 D200 T201 M203 V207 K236 Y237 C238 F333V154-F198 HydrophobicContact CG2-CB 4.39Å; F198-D200 PolarHBondContact O-N 3.22Å; F198-D200 VanDerWaalsContact O-N 3.17Å; F198-T201 HydrophobicContact CB-CG2 4.33Å; F198-T201 PolarHBondContact O-N 2.86Å; F198-T201 PolarHBondContact O-OG1 3.15Å; F198-M203 HydrophobicContact CB-CE 3.74Å; F198-M203 HydrophobicContact CD1-CE 3.5Å; F198-M203 HydrophobicContact CD2-CB 3.66Å; F198-M203 HydrophobicContact CD2-CE 3.68Å; F198-M203 HydrophobicContact CD2-CG 3.93Å; F198-M203 HydrophobicContact CE1-CE 3.93Å; F198-M203 HydrophobicContact CE2-CB 4.17Å; F198-M203 HydrophobicContact CE2-CE 4.07Å; F198-M203 HydrophobicContact CE2-CG 4.01Å; F198-M203 WeakPolarHBondContact CE2-O 3.3Å; F198-M203 HydrophobicContact CG-CB 4.33Å; F198-M203 HydrophobicContact CG-CE 3.36Å; F198-M203 HydrophobicContact CZ-CE 4.19Å; F198-V207 HydrophobicContact CE2-CB 4.02Å; F198-V207 HydrophobicContact CE2-CG2 3.99Å; F198-V207 HydrophobicContact CZ-CB 3.96Å; F198-V207 HydrophobicContact CZ-CG1 4.19Å; F198-V207 HydrophobicContact CZ-CG2 3.78Å; F198-K236 HydrophobicContact CD1-CB 4.16Å; F198-K236 WeakPolarHBondContact CD1-O 3.38Å; F198-K236 HydrophobicContact CD2-CB 4.27Å; F198-K236 VanDerWaalsContact CE1-C 3.48Å; F198-K236 HydrophobicContact CE1-CB 3.81Å; F198-K236 WeakPolarHBondContact CE1-O 3.34Å; F198-K236 HydrophobicContact CE2-CB 3.95Å; F198-K236 HydrophobicContact CE2-CD 4.13Å; F198-K236 HydrophobicContact CG-CB 4.39Å; F198-K236 HydrophobicContact CZ-CB 3.7Å; F198-K236 HydrophobicContact CZ-CD 4.49Å; F198-K236 PolarHBondContact N-O 2.76Å; F198-Y237 VanDerWaalsContact CE1-C 3.49Å; F198-C238 HydrophobicContact CD1-CB 3.79Å; F198-C238 HydrophobicContact CE1-CB 3.88Å; F198-F333 AromaticContact CE1-CD1 3.71Å; F198-F333 HydrophobicContact CE1-CD1 3.71Å; F198-F333 AromaticContact CE1-CE1 3.83Å; F198-F333 HydrophobicContact CE1-CE1 3.83Å; F198-F333 AromaticContact CZ-CD1 3.69Å; F198-F333 HydrophobicContact CZ-CD1 3.69Å; F198-F333 AromaticContact CZ-CE1 3.73Å; F198-F333 HydrophobicContact CZ-CE1 3.73Å
199S96.7Very high97.3Very high28 Ų2839 Ų3920%0.19620%0.203CC..THydrogen-bonded Turntrans-60.1-21175.9-64.20000113.3E197E197-S199 VanDerWaalsContact CD-OG 3.31Å; E197-S199 PolarHBondContact OE1-OG 2.84Å; E197-S199 WeakPolarHBondContact OE2-CB 3.46Å; E197-S199 PolarHBondContact OE2-N 3.19Å; E197-S199 PolarHBondContact OE2-OG 2.81Å; E197-S199 VanDerWaalsContact OE2-OG 3.07Å
200D95.4Very high97.5Very high117 Ų11737.5 Ų37.563%0.62620%0.196SC*.THydrogen-bonded Turntrans-85.2-1174.165.6-23.6000114.2K158 F198K158-D200 IonicContact NZ-OD1 3.98Å; K158-D200 PolarHBondContact NZ-OD1 3.02Å; K158-D200 IonicContact NZ-OD2 2.72Å; K158-D200 PolarHBondContact NZ-OD2 3.29Å; F198-D200 PolarHBondContact O-N 3.22Å; F198-D200 VanDerWaalsContact O-N 3.17Å
201T97.4Very high97.6Very high23 Ų2338.5 Ų38.514%0.14120%0.2CC..SBendtrans-116.7168.4-172.775.90000113.8V154 F198 M203 A204V154-T201 HydrophobicContact CB-CG2 4.44Å; V154-T201 HydrophobicContact CG1-CG2 4.15Å; V154-T201 HydrophobicContact CG2-CG2 4.39Å; F198-T201 HydrophobicContact CB-CG2 4.33Å; F198-T201 PolarHBondContact O-N 2.86Å; F198-T201 PolarHBondContact O-OG1 3.15Å; T201-M203 PolarHBondContact O-N 2.91Å; T201-M203 VanDerWaalsContact O-N 3.16Å; T201-M203 WeakPolarHBondContact OG1-CB 3.35Å; T201-M203 PolarHBondContact OG1-N 3.42Å; T201-M203 VanDerWaalsContact OG1-N 3.16Å; T201-A204 WeakPolarHBondContact O-CB 3.28Å; T201-A204 PolarHBondContact O-N 3Å
202K97.6Very high97.6Very high150 Ų15038.7 Ų38.765%0.65220%0.201SC*.G310 helixtrans-60.6-22.4172-58175.5-177.21730112.8Y153 A204 E205Y153-K202 HydrophobicContact CD1-CB 4.15Å; K202-A204 PolarHBondContact O-N 2.8Å; K202-E205 PolarHBondContact O-N 3.5Å
203M98.3Very high97.5Very high0 Ų038.8 Ų38.80%020%0.202CC..G310 helixtrans-65.7-21.8175.8-159.5163.368.400112.2F145 V150 V154 F198 T201 E205 L206 C238 F333F145-M203 HydrophobicContact CE1-SD 4.03Å; F145-M203 HydrophobicContact CZ-CG 4.4Å; F145-M203 HydrophobicContact CZ-SD 3.95Å; V150-M203 HydrophobicContact CB-SD 4.29Å; V150-M203 HydrophobicContact CG1-CE 4.07Å; V150-M203 HydrophobicContact CG1-SD 4.09Å; V150-M203 HydrophobicContact CG2-SD 4.08Å; V154-M203 HydrophobicContact CG2-CB 4.18Å; V154-M203 HydrophobicContact CG2-CE 3.64Å; V154-M203 HydrophobicContact CG2-SD 4.01Å; F198-M203 HydrophobicContact CB-CE 3.74Å; F198-M203 HydrophobicContact CD1-CE 3.5Å; F198-M203 HydrophobicContact CD2-CB 3.66Å; F198-M203 HydrophobicContact CD2-CE 3.68Å; F198-M203 HydrophobicContact CD2-CG 3.93Å; F198-M203 HydrophobicContact CE1-CE 3.93Å; F198-M203 HydrophobicContact CE2-CB 4.17Å; F198-M203 HydrophobicContact CE2-CE 4.07Å; F198-M203 HydrophobicContact CE2-CG 4.01Å; F198-M203 WeakPolarHBondContact CE2-O 3.3Å; F198-M203 HydrophobicContact CG-CB 4.33Å; F198-M203 HydrophobicContact CG-CE 3.36Å; F198-M203 HydrophobicContact CZ-CE 4.19Å; T201-M203 PolarHBondContact O-N 2.91Å; T201-M203 VanDerWaalsContact O-N 3.16Å; T201-M203 WeakPolarHBondContact OG1-CB 3.35Å; T201-M203 PolarHBondContact OG1-N 3.42Å; T201-M203 VanDerWaalsContact OG1-N 3.16Å; M203-E205 PolarHBondContact O-N 3.42Å; M203-L206 HydrophobicContact CG-CD1 4.25Å; M203-L206 WeakPolarHBondContact O-CB 3.14Å; M203-L206 PolarHBondContact O-N 3.08Å; M203-L206 VanDerWaalsContact O-N 3.1Å; M203-C238 HydrophobicContact CE-CB 3.66Å; M203-F333 HydrophobicContact CE-CE1 4.3Å
204A97.8Very high97.5Very high16 Ų1642.4 Ų42.413%0.13222%0.218CC..G310 helixtrans-60.7-25.9177.800000113.4T201 K202 L206 V207 K236T201-A204 WeakPolarHBondContact O-CB 3.28Å; T201-A204 PolarHBondContact O-N 3Å; K202-A204 PolarHBondContact O-N 2.8Å; A204-L206 VanDerWaalsContact C-N 3.34Å; A204-V207 VanDerWaalsContact O-O 3.13Å; A204-K236 HydrophobicContact CB-CD 4.39Å; A204-K236 PolarHBondContact O-NZ 2.78Å
205E97.6Very high97.4Very high145 Ų14544.9 Ų44.968%0.67823%0.227SC*.G310 helixtrans-74.7-23.3178.6-60.6175.1-160.600112.8K139 K202 M203K139-E205 PolarHBondContact NZ-O 3.16Å; K202-E205 PolarHBondContact O-N 3.5Å; M203-E205 PolarHBondContact O-N 3.42Å
206L98.2Very high97.5Very high34 Ų3443.3 Ų43.318%0.17821%0.213CC..THydrogen-bonded Turntrans-77.5-27.5178.5-54.4-175000111.9K139 P141 F145 Y153 M203 A204K139-L206 WeakPolarHBondContact CE-O 3.37Å; P141-L206 HydrophobicContact CB-CD1 4.33Å; F145-L206 HydrophobicContact CE2-CD1 3.57Å; F145-L206 HydrophobicContact CZ-CD1 3.79Å; Y153-L206 HydrophobicContact CD1-CD1 3.99Å; Y153-L206 HydrophobicContact CD1-CG 4.38Å; Y153-L206 HydrophobicContact CD2-CD1 4.08Å; Y153-L206 HydrophobicContact CE1-CD1 3.89Å; Y153-L206 HydrophobicContact CE1-CD2 4.02Å; Y153-L206 HydrophobicContact CE1-CG 4.16Å; Y153-L206 HydrophobicContact CE2-CD1 3.99Å; Y153-L206 HydrophobicContact CG-CD1 4.09Å; M203-L206 HydrophobicContact CG-CD1 4.25Å; M203-L206 WeakPolarHBondContact O-CB 3.14Å; M203-L206 PolarHBondContact O-N 3.08Å; M203-L206 VanDerWaalsContact O-N 3.1Å; A204-L206 VanDerWaalsContact C-N 3.34Å
207V98.4Very high97.6Very high0 Ų043.2 Ų43.20%021%0.213CC..  trans-116.6119.9-168.9176.50000112.5K139 L140 F198 A204 K236 W259 F333K139-V207 VanDerWaalsContact O-CA 3.28Å; K139-V207 WeakPolarHBondContact O-CA 3.34Å; L140-V207 HydrophobicContact CD2-CB 4.44Å; L140-V207 HydrophobicContact CD2-CG1 3.91Å; L140-V207 HydrophobicContact CD2-CG2 3.87Å; F198-V207 HydrophobicContact CE2-CB 4.02Å; F198-V207 HydrophobicContact CE2-CG2 3.99Å; F198-V207 HydrophobicContact CZ-CB 3.96Å; F198-V207 HydrophobicContact CZ-CG1 4.19Å; F198-V207 HydrophobicContact CZ-CG2 3.78Å; A204-V207 VanDerWaalsContact O-O 3.13Å; V207-K236 VanDerWaalsContact O-CE 3.29Å; V207-K236 WeakPolarHBondContact O-CE 3.39Å; V207-K236 PolarHBondContact O-NZ 2.7Å; V207-W259 HydrophobicContact CG1-CH2 4.39Å; V207-F333 HydrophobicContact CG2-CD1 4.17Å; V207-F333 HydrophobicContact CG2-CE1 4.09Å
208E98.1Very high97.6Very high73 Ų7341.9 Ų41.934%0.34121%0.207SC..BIsolated β-bridgetrans-106.4131.3161.7-74.3-67.5150.600108.9K139 K214K139-E208 HydrophobicContact CB-CB 3.82Å; K139-E208 HydrophobicContact CB-CG 4.37Å; K139-E208 HydrophobicContact CD-CG 4.44Å; K139-E208 PolarHBondContact N-O 2.97Å; K139-E208 PolarHBondContact O-N 2.86Å; E208-K214 IonicContact OE2-NZ 2.95Å; E208-K214 PolarHBondContact OE2-NZ 3.07Å
209V98.2Very high97.6Very high14 Ų1442.1 Ų42.19%0.08521%0.208CC..  trans-72.7156.8-178.1-48.90000110.9D211 K214 Q235 K236 W259V209-D211 PolarHBondContact O-N 3.14Å; V209-K214 HydrophobicContact CG2-CB 3.9Å; V209-K214 HydrophobicContact CG2-CD 4.43Å; V209-K214 HydrophobicContact CG2-CG 4.3Å; V209-Q235 HydrophobicContact CG1-CB 4.36Å; V209-Q235 WeakPolarHBondContact CG1-O 3.34Å; V209-K236 HydrophobicContact CG1-CG 3.95Å; V209-W259 HydrophobicContact CB-CZ2 3.99Å; V209-W259 HydrophobicContact CG1-CZ2 3.76Å
210P98.3Very high97.5Very high0 Ų044.3 Ų44.30%022%0.216CC..  trans-50.1138179.8-29.937.4000113.1L136 L138 V212 A213 K214 W259L136-P210 HydrophobicContact CD1-CB 4.5Å; L136-P210 HydrophobicContact CG-CB 4.18Å; L138-P210 HydrophobicContact CB-CG 4.35Å; L138-P210 HydrophobicContact CD1-CG 4Å; P210-V212 HydrophobicContact CB-CG1 4.19Å; P210-V212 PolarHBondContact O-N 3.35Å; P210-V212 VanDerWaalsContact O-N 3.11Å; P210-A213 HydrophobicContact CB-CB 4.32Å; P210-A213 WeakPolarHBondContact O-CA 3.26Å; P210-A213 WeakPolarHBondContact O-CB 3.44Å; P210-A213 PolarHBondContact O-N 3.44Å; P210-K214 PolarHBondContact O-N 3.06Å; P210-W259 HydrophobicContact CG-CB 4Å; P210-W259 HydrophobicContact CG-CD2 3.69Å; P210-W259 HydrophobicContact CG-CE3 3.82Å; P210-W259 HydrophobicContact CG-CG 3.77Å
211D97.8Very high97.5Very high65 Ų6541.1 Ų41.135%0.34820%0.199SC..Hα-helixtrans-60.7-31.7-171.1-149.610.4000111.5L136 V209 K215L136-D211 WeakPolarHBondContact O-CB 3.48Å; L136-D211 PolarHBondContact O-N 3.47Å; V209-D211 PolarHBondContact O-N 3.14Å; D211-K215 VanDerWaalsContact CG-CE 3.45Å; D211-K215 VanDerWaalsContact O-CB 3.28Å; D211-K215 WeakPolarHBondContact O-CB 3.17Å; D211-K215 VanDerWaalsContact O-CD 3.28Å; D211-K215 WeakPolarHBondContact O-CD 3.28Å; D211-K215 WeakPolarHBondContact O-CG 3.34Å; D211-K215 PolarHBondContact O-N 2.96Å; D211-K215 WeakPolarHBondContact OD1-CE 3.48Å; D211-K215 IonicContact OD1-NZ 3.79Å; D211-K215 PolarHBondContact OD1-NZ 3.26Å; D211-K215 VanDerWaalsContact OD1-NZ 3.08Å; D211-K215 IonicContact OD2-NZ 3.74Å; D211-K215 PolarHBondContact OD2-NZ 3.17Å
212V97.1Very high97.4Very high4 Ų441 Ų412%0.02420%0.196CC..Hα-helixtrans-67.4-42.4172.969.30000113V114 T116 L119 P210 M216 L315V114-V212 HydrophobicContact CG1-CB 4.33Å; V114-V212 HydrophobicContact CG1-CG1 3.96Å; V114-V212 HydrophobicContact CG1-CG2 4.43Å; T116-V212 HydrophobicContact CG2-CG2 4.43Å; L119-V212 HydrophobicContact CD1-CG2 3.6Å; P210-V212 HydrophobicContact CB-CG1 4.19Å; P210-V212 PolarHBondContact O-N 3.35Å; P210-V212 VanDerWaalsContact O-N 3.11Å; V212-M216 HydrophobicContact CG2-SD 3.6Å; V212-M216 VanDerWaalsContact CG2-SD 3.6Å; V212-M216 VanDerWaalsContact O-CB 3.3Å; V212-M216 WeakPolarHBondContact O-CB 3.48Å; V212-M216 VanDerWaalsContact O-CG 3.3Å; V212-M216 WeakPolarHBondContact O-CG 3.44Å; V212-M216 PolarHBondContact O-N 3.46Å; V212-L315 HydrophobicContact CG1-CD1 4.08Å
213A97.5Very high97.3Very high3 Ų334.8 Ų34.83%0.02517%0.168CC..Hα-helixtrans-68.2-44.8178.800000110.4P210 K215 M216 S217 F337P210-A213 HydrophobicContact CB-CB 4.32Å; P210-A213 WeakPolarHBondContact O-CA 3.26Å; P210-A213 WeakPolarHBondContact O-CB 3.44Å; P210-A213 PolarHBondContact O-N 3.44Å; A213-K215 PolarHBondContact O-N 2.8Å; A213-M216 PolarHBondContact O-N 3.26Å; A213-S217 WeakPolarHBondContact O-CB 3.4Å; A213-S217 PolarHBondContact O-N 3.42Å; A213-F337 HydrophobicContact CB-CD1 3.84Å; A213-F337 HydrophobicContact CB-CD2 4.32Å; A213-F337 HydrophobicContact CB-CE1 3.76Å; A213-F337 HydrophobicContact CB-CE2 4.22Å; A213-F337 HydrophobicContact CB-CG 4.14Å; A213-F337 HydrophobicContact CB-CZ 3.96Å
214K96.4Very high97.1Very high76 Ų7636.1 Ų36.133%0.3318%0.177SC..Hα-helixtrans-58.4-48.2175.5-158.4169-170.9172.30111.7E208 V209 P210 M216E208-K214 IonicContact OE2-NZ 2.95Å; E208-K214 PolarHBondContact OE2-NZ 3.07Å; V209-K214 HydrophobicContact CG2-CB 3.9Å; V209-K214 HydrophobicContact CG2-CD 4.43Å; V209-K214 HydrophobicContact CG2-CG 4.3Å; P210-K214 PolarHBondContact O-N 3.06Å; K214-M216 PolarHBondContact O-N 2.88Å
215K96.8Very high96.8Very high107 Ų10742.4 Ų42.447%0.46521%0.208SC..Hα-helixtrans-71.2-26-178.9-70.7166.7-169.9165.90114.1T116 D211 A213 N221T116-K215 HydrophobicContact CG2-CB 3.6Å; T116-K215 HydrophobicContact CG2-CD 4.28Å; D211-K215 VanDerWaalsContact CG-CE 3.45Å; D211-K215 VanDerWaalsContact O-CB 3.28Å; D211-K215 WeakPolarHBondContact O-CB 3.17Å; D211-K215 VanDerWaalsContact O-CD 3.28Å; D211-K215 WeakPolarHBondContact O-CD 3.28Å; D211-K215 WeakPolarHBondContact O-CG 3.34Å; D211-K215 PolarHBondContact O-N 2.96Å; D211-K215 WeakPolarHBondContact OD1-CE 3.48Å; D211-K215 IonicContact OD1-NZ 3.79Å; D211-K215 PolarHBondContact OD1-NZ 3.26Å; D211-K215 VanDerWaalsContact OD1-NZ 3.08Å; D211-K215 IonicContact OD2-NZ 3.74Å; D211-K215 PolarHBondContact OD2-NZ 3.17Å; A213-K215 PolarHBondContact O-N 2.8Å; K215-N221 PolarHBondContact O-ND2 2.81Å
216M97.1Very high96.5Very high21 Ų2141.5 Ų41.510%0.10321%0.208CC..Hα-helixtrans-99-19.3-178.3-67.817564.800114.5T116 L119 V212 A213 K214 W218 F337 H339 L341T116-M216 HydrophobicContact CG2-CG 3.64Å; T116-M216 HydrophobicContact CG2-SD 4.05Å; L119-M216 HydrophobicContact CD1-CE 4.32Å; L119-M216 HydrophobicContact CD1-SD 3.92Å; V212-M216 HydrophobicContact CG2-SD 3.6Å; V212-M216 VanDerWaalsContact CG2-SD 3.6Å; V212-M216 VanDerWaalsContact O-CB 3.3Å; V212-M216 WeakPolarHBondContact O-CB 3.48Å; V212-M216 VanDerWaalsContact O-CG 3.3Å; V212-M216 WeakPolarHBondContact O-CG 3.44Å; V212-M216 PolarHBondContact O-N 3.46Å; A213-M216 PolarHBondContact O-N 3.26Å; K214-M216 PolarHBondContact O-N 2.88Å; M216-W218 PolarHBondContact O-N 3.15Å; M216-F337 HydrophobicContact CB-CD2 4.41Å; M216-F337 HydrophobicContact CB-CE2 4.32Å; M216-H339 HydrophobicContact CB-CB 4.07Å; M216-H339 HydrophobicContact CE-CB 4.22Å; M216-H339 WeakPolarHBondContact O-CB 3.16Å; M216-L341 HydrophobicContact CE-CD1 3.39Å; M216-L341 HydrophobicContact CE-CG 3.67Å
217S98.3Very high96.2Very high4 Ų441 Ų413%0.02821%0.207CC..  trans-57.3124.6-178.6173.20000112.1A213 V219 E220 N221 L338A213-S217 WeakPolarHBondContact O-CB 3.4Å; A213-S217 PolarHBondContact O-N 3.42Å; S217-V219 VanDerWaalsContact C-N 3.27Å; S217-V219 PolarHBondContact O-N 2.96Å; S217-V219 PolarHBondContact OG-N 3.3Å; S217-E220 PolarHBondContact O-N 2.92Å; S217-E220 PolarHBondContact OG-N 3.34Å; S217-N221 WeakPolarHBondContact O-CB 3.38Å; S217-N221 PolarHBondContact O-N 2.91Å; S217-N221 PolarHBondContact O-ND2 3.26Å; S217-L338 CarbonylContact C-O 3.57Å; S217-L338 WeakPolarHBondContact CA-O 3.47Å
218W98.5Very high95.8Very high0 Ų048.5 Ų48.50%024%0.24CC..Hα-helixtrans-57.6-39.4171.2-77.4-2.6000112.5M216 N221 Y222 L338 H339 N340 I343 I370 V374M216-W218 PolarHBondContact O-N 3.15Å; W218-N221 PolarHBondContact O-N 3.26Å; W218-Y222 HydrophobicContact CB-CD2 4.14Å; W218-Y222 AromaticContact CD1-CD2 3.89Å; W218-Y222 AromaticContact CD1-CE2 3.68Å; W218-Y222 HydrophobicContact CG-CD2 4.16Å; W218-Y222 HydrophobicContact CG-CE2 4.39Å; W218-Y222 WeakPolarHBondContact O-CA 3.15Å; W218-Y222 WeakPolarHBondContact O-CB 3.34Å; W218-Y222 PolarHBondContact O-N 2.99Å; W218-L338 HydrophobicContact CB-CB 4.08Å; W218-L338 HydrophobicContact CD2-CB 3.56Å; W218-L338 HydrophobicContact CE3-CB 3.38Å; W218-L338 HydrophobicContact CE3-CD1 3.57Å; W218-L338 HydrophobicContact CE3-CG 4.07Å; W218-L338 HydrophobicContact CG-CB 3.86Å; W218-L338 HydrophobicContact CZ3-CB 4.11Å; W218-L338 HydrophobicContact CZ3-CD1 3.94Å; W218-L338 PolarHBondContact N-O 2.92Å; W218-H339 VanDerWaalsContact NE1-C 3.27Å; W218-N340 PolarHBondContact NE1-OD1 3.15Å; W218-I343 HydrophobicContact CH2-CG2 4.05Å; W218-I343 HydrophobicContact CZ2-CB 4.48Å; W218-I343 HydrophobicContact CZ2-CD1 4.16Å; W218-I343 HydrophobicContact CZ2-CG1 3.99Å; W218-I343 HydrophobicContact CZ2-CG2 4.05Å; W218-I370 HydrophobicContact CB-CD1 4.04Å; W218-I370 HydrophobicContact CB-CG1 3.79Å; W218-I370 HydrophobicContact CE3-CG1 4.03Å; W218-I370 HydrophobicContact CE3-CG2 4.3Å; W218-V374 HydrophobicContact CB-CG2 4.06Å; W218-V374 HydrophobicContact CD2-CG1 4.49Å; W218-V374 HydrophobicContact CD2-CG2 3.36Å; W218-V374 HydrophobicContact CE3-CG2 3.68Å; W218-V374 HydrophobicContact CG-CG2 3.58Å; W218-V374 HydrophobicContact CH2-CG1 4.41Å; W218-V374 HydrophobicContact CH2-CG2 4.41Å; W218-V374 HydrophobicContact CZ2-CG1 3.85Å; W218-V374 HydrophobicContact CZ2-CG2 4.15Å; W218-V374 HydrophobicContact CZ3-CG2 4.2Å
219V97.3Very high95.6Very high4 Ų446.3 Ų46.32%0.02423%0.23CC..Hα-helixtrans-65.2-45-179.3172.30000110.4S217 W223 K231 P232 F364S217-V219 VanDerWaalsContact C-N 3.27Å; S217-V219 PolarHBondContact O-N 2.96Å; S217-V219 PolarHBondContact OG-N 3.3Å; V219-W223 HydrophobicContact CG1-CB 4.35Å; V219-W223 WeakPolarHBondContact O-CB 3.49Å; V219-W223 PolarHBondContact O-N 3.14Å; V219-K231 HydrophobicContact CG1-CD 4.24Å; V219-K231 HydrophobicContact CG1-CG 3.84Å; V219-P232 HydrophobicContact CG2-CB 4.34Å; V219-P232 HydrophobicContact CG2-CG 4.41Å; V219-F364 HydrophobicContact CG2-CE1 4.49Å; V219-F364 HydrophobicContact CG2-CZ 3.84Å
220E94.6Very high95.4Very high75 Ų7549.5 Ų49.535%0.3525%0.251SS..Hα-helixtrans-70.4-31.6178.9-65.9-64.189.800113.2S217 K231S217-E220 PolarHBondContact O-N 2.92Å; S217-E220 PolarHBondContact OG-N 3.34Å; E220-K231 WeakPolarHBondContact OE1-CE 3.46Å; E220-K231 IonicContact OE1-NZ 3.83Å; E220-K231 PolarHBondContact OE1-NZ 2.93Å
221N95.6Very high95.2Very high50 Ų5052.9 Ų52.927%0.26727%0.265SS..Hα-helixtrans-89.7-34.8-176.9-79.1-90.3000113.9K215 S217 W218 R488K215-N221 PolarHBondContact O-ND2 2.81Å; S217-N221 WeakPolarHBondContact O-CB 3.38Å; S217-N221 PolarHBondContact O-N 2.91Å; S217-N221 PolarHBondContact O-ND2 3.26Å; W218-N221 PolarHBondContact O-N 3.26Å; N221-R488 PolarHBondContact O-NH1 2.96Å; N221-R488 PolarHBondContact O-NH2 3.35Å
222Y95.8Very high95.1Very high21 Ų2150 Ų508%0.08225%0.25CC..Hα-helixtrans-128.1-14-162.3-50.3-49.8000115.4W218 P224 N340 V374 N377W218-Y222 HydrophobicContact CB-CD2 4.14Å; W218-Y222 AromaticContact CD1-CD2 3.89Å; W218-Y222 AromaticContact CD1-CE2 3.68Å; W218-Y222 HydrophobicContact CG-CD2 4.16Å; W218-Y222 HydrophobicContact CG-CE2 4.39Å; W218-Y222 WeakPolarHBondContact O-CA 3.15Å; W218-Y222 WeakPolarHBondContact O-CB 3.34Å; W218-Y222 PolarHBondContact O-N 2.99Å; Y222-P224 WeakPolarHBondContact O-CD 3.42Å; Y222-N340 PolarHBondContact OH-ND2 2.76Å; Y222-V374 HydrophobicContact CD2-CB 4.39Å; Y222-V374 HydrophobicContact CD2-CG2 3.59Å; Y222-V374 HydrophobicContact CE2-CG2 4.24Å; Y222-V374 HydrophobicContact CG-CG2 4.36Å; Y222-N377 HydrophobicContact CD1-CB 3.51Å; Y222-N377 HydrophobicContact CE1-CB 3.73Å; Y222-N377 HydrophobicContact CG-CB 4.25Å
223W96.3Very high95Very high19 Ų1954.9 Ų54.97%0.07227%0.271CS..  trans-70.9125.6173.7-162.2-81.7000110V219 F229 P230 K231 P232 Y366 A369 I370 Y373V219-W223 HydrophobicContact CG1-CB 4.35Å; V219-W223 WeakPolarHBondContact O-CB 3.49Å; V219-W223 PolarHBondContact O-N 3.14Å; W223-F229 HydrophobicContact CH2-CB 3.82Å; W223-F229 HydrophobicContact CZ2-CB 3.57Å; W223-F229 WeakPolarHBondContact CZ2-O 3.41Å; W223-P230 WeakPolarHBondContact CZ2-O 3.11Å; W223-K231 HydrophobicContact CG-CG 4.24Å; W223-P232 HydrophobicContact CE3-CG 4.02Å; W223-P232 HydrophobicContact CH2-CG 3.92Å; W223-P232 HydrophobicContact CZ2-CG 4.47Å; W223-P232 HydrophobicContact CZ3-CG 3.65Å; W223-Y366 HydrophobicContact CH2-CD2 4.24Å; W223-Y366 HydrophobicContact CH2-CG 4.19Å; W223-A369 HydrophobicContact CH2-CB 4.44Å; W223-I370 HydrophobicContact CE3-CB 4.06Å; W223-I370 HydrophobicContact CE3-CD1 4.09Å; W223-I370 HydrophobicContact CE3-CG1 4.46Å; W223-I370 HydrophobicContact CZ3-CB 3.99Å; W223-Y373 HydrophobicContact CD2-CE2 4.46Å; W223-Y373 HydrophobicContact CE3-CD2 4.36Å; W223-Y373 HydrophobicContact CE3-CE2 4.49Å
224P94.6Very high94.9Very high27 Ų2754.9 Ų54.918%0.17527%0.271CS..  trans-79142.8177.6-13.229.6000112.5Y222 D226 S227 Y373Y222-P224 WeakPolarHBondContact O-CD 3.42Å; P224-D226 WeakPolarHBondContact CB-OD1 3.46Å; P224-D226 PolarHBondContact O-N 3.04Å; P224-S227 WeakPolarHBondContact O-CB 3.15Å; P224-S227 PolarHBondContact O-N 3.22Å; P224-S227 VanDerWaalsContact O-N 3.17Å; P224-Y373 VanDerWaalsContact CD-CE2 3.47Å; P224-Y373 HydrophobicContact CG-CD1 3.81Å; P224-Y373 HydrophobicContact CG-CD2 4.43Å; P224-Y373 HydrophobicContact CG-CE1 3.51Å; P224-Y373 HydrophobicContact CG-CE2 4.16Å; P224-Y373 HydrophobicContact CG-CG 4.27Å
225D91.2Very high94.9Very high148 Ų14852.2 Ų52.279%0.79126%0.26SS*.THydrogen-bonded Turntrans-64.9-23.8172.9-52.5-52.5000112.2
226D90.9Very high95Very high126 Ų12648.4 Ų48.467%0.67424%0.243SC*.THydrogen-bonded Turntrans-94.618.5176.169.8-40.7000113.5P224P224-D226 WeakPolarHBondContact CB-OD1 3.46Å; P224-D226 PolarHBondContact O-N 3.04Å
227S91.9Very high95.1Very high24 Ų2449.1 Ų49.117%0.16825%0.245CC..  trans-65.5139.9176.4-168.40000112.2P224 F229 Y373P224-S227 WeakPolarHBondContact O-CB 3.15Å; P224-S227 PolarHBondContact O-N 3.22Å; P224-S227 VanDerWaalsContact O-N 3.17Å; S227-F229 VanDerWaalsContact C-N 3.26Å; S227-F229 WeakPolarHBondContact CB-O 3.43Å; S227-F229 PolarHBondContact OG-N 2.99Å; S227-F229 PolarHBondContact OG-O 3.47Å; S227-Y373 WeakPolarHBondContact CB-OH 3.31Å; S227-Y373 PolarHBondContact OG-OH 3.45Å
228F89.8Confident95.1Very high157 Ų15749 Ų4969%0.68924%0.244SC*.SBendtrans-65.3-31167.3173.8-99.3000112.3
229F92.9Very high95.1Very high28 Ų2849.8 Ų49.812%0.12325%0.248CC..SBendtrans-84.4139.9177.7-59.9-68.4000109.8W223 S227 Y366 A369 P423W223-F229 HydrophobicContact CH2-CB 3.82Å; W223-F229 HydrophobicContact CZ2-CB 3.57Å; W223-F229 WeakPolarHBondContact CZ2-O 3.41Å; S227-F229 VanDerWaalsContact C-N 3.26Å; S227-F229 WeakPolarHBondContact CB-O 3.43Å; S227-F229 PolarHBondContact OG-N 2.99Å; S227-F229 PolarHBondContact OG-O 3.47Å; F229-Y366 HydrophobicContact CB-CD1 4.17Å; F229-Y366 HydrophobicContact CB-CD2 4.46Å; F229-Y366 HydrophobicContact CB-CE1 4.41Å; F229-Y366 HydrophobicContact CB-CG 4.19Å; F229-Y366 AromaticContact CD1-CD1 3.58Å; F229-Y366 HydrophobicContact CD1-CD1 3.58Å; F229-Y366 AromaticContact CD1-CE1 3.62Å; F229-Y366 HydrophobicContact CD1-CE1 3.62Å; F229-Y366 HydrophobicContact CD1-CG 4.41Å; F229-Y366 HydrophobicContact CE1-CD1 4.21Å; F229-Y366 HydrophobicContact CE1-CE1 4.31Å; F229-Y366 HydrophobicContact CG-CD1 4.01Å; F229-Y366 HydrophobicContact CG-CE1 4.34Å; F229-Y366 HydrophobicContact CG-CG 4.43Å; F229-A369 HydrophobicContact CD2-CB 3.84Å; F229-A369 HydrophobicContact CE2-CB 3.97Å; F229-P423 HydrophobicContact CE2-CG 4.42Å
230P93.9Very high95.2Very high81 Ų8149.6 Ų49.653%0.52625%0.247SC..PPolyproline II helixtrans-67.2139.8175.327.4-32.2000110.6W223 Y366W223-P230 WeakPolarHBondContact CZ2-O 3.11Å; P230-Y366 HydrophobicContact CG-CE2 3.7Å
231K94.9Very high95.3Very high70 Ų7046 Ų4630%0.30423%0.23SC..PPolyproline II helixtrans-58.6127.7-177.6-174.2-179.7177.7-176.60110.8V219 E220 W223 F233V219-K231 HydrophobicContact CG1-CD 4.24Å; V219-K231 HydrophobicContact CG1-CG 3.84Å; E220-K231 WeakPolarHBondContact OE1-CE 3.46Å; E220-K231 IonicContact OE1-NZ 3.83Å; E220-K231 PolarHBondContact OE1-NZ 2.93Å; W223-K231 HydrophobicContact CG-CG 4.24Å; K231-F233 HydrophobicContact CB-CE2 4.3Å; K231-F233 HydrophobicContact CB-CZ 4.35Å; K231-F233 HydrophobicContact CD-CE1 4.28Å; K231-F233 HydrophobicContact CD-CZ 4.23Å; K231-F233 VanDerWaalsContact O-CD2 3.28Å; K231-F233 WeakPolarHBondContact O-CD2 3.37Å; K231-F233 PolarHBondContact O-N 3.27Å; K231-F233 VanDerWaalsContact O-N 3.1Å
232P95.7Very high95.5Very high4 Ų443.8 Ų43.83%0.02622%0.218CC..  trans-65.1110.5175.5-23.234.2000111.3V219 W223 Q235 F364 P365 Y366V219-P232 HydrophobicContact CG2-CB 4.34Å; V219-P232 HydrophobicContact CG2-CG 4.41Å; W223-P232 HydrophobicContact CE3-CG 4.02Å; W223-P232 HydrophobicContact CH2-CG 3.92Å; W223-P232 HydrophobicContact CZ2-CG 4.47Å; W223-P232 HydrophobicContact CZ3-CG 3.65Å; P232-Q235 PolarHBondContact O-NE2 2.8Å; P232-F364 HydrophobicContact CB-CE1 4.13Å; P232-F364 HydrophobicContact CB-CZ 4.24Å; P232-F364 HydrophobicContact CG-CE1 4.16Å; P232-P365 HydrophobicContact CB-CB 4.14Å; P232-P365 HydrophobicContact CB-CG 4.48Å; P232-P365 HydrophobicContact CG-CB 4.36Å; P232-P365 VanDerWaalsContact CG-O 3.28Å; P232-P365 WeakPolarHBondContact CG-O 3.42Å; P232-Y366 HydrophobicContact CG-CD2 4.46Å
233F95.1Very high95.6Very high108 Ų10847.9 Ų47.947%0.47424%0.237SC..  trans-91.8105169-66.8-72.3000108.9K231K231-F233 HydrophobicContact CB-CE2 4.3Å; K231-F233 HydrophobicContact CB-CZ 4.35Å; K231-F233 HydrophobicContact CD-CE1 4.28Å; K231-F233 HydrophobicContact CD-CZ 4.23Å; K231-F233 VanDerWaalsContact O-CD2 3.28Å; K231-F233 WeakPolarHBondContact O-CD2 3.37Å; K231-F233 PolarHBondContact O-N 3.27Å; K231-F233 VanDerWaalsContact O-N 3.1Å
234V96.6Very high95.7Very high3 Ų349.4 Ų49.42%0.01825%0.246CC..  trans-142.519.6178.8-61.70000110.7Y237 F253 N336 F364 P365V234-Y237 HydrophobicContact CB-CE2 4.18Å; V234-Y237 WeakPolarHBondContact CG1-OH 3.32Å; V234-Y237 WeakPolarHBondContact O-CE2 3.01Å; V234-F253 HydrophobicContact CB-CE2 4.02Å; V234-F253 HydrophobicContact CB-CZ 3.99Å; V234-F253 HydrophobicContact CG1-CE2 3.87Å; V234-F253 HydrophobicContact CG1-CZ 4.03Å; V234-F253 HydrophobicContact CG2-CE2 4.32Å; V234-N336 HydrophobicContact CG2-CB 4.44Å; V234-N336 PolarHBondContact O-N 3.18Å; V234-F364 HydrophobicContact CG2-CE2 3.84Å; V234-F364 HydrophobicContact CG2-CZ 4.3Å; V234-P365 HydrophobicContact CG1-CG 4.41Å
235Q96.3Very high95.9Very high19 Ų1948.1 Ų48.19%0.08924%0.238CC..SBendtrans-101.1-19.4-168.7-61.689.858.300113.3E197 V209 P232 W259E197-Q235 PolarHBondContact OE1-N 3.45Å; E197-Q235 VanDerWaalsContact OE1-N 3.15Å; V209-Q235 HydrophobicContact CG1-CB 4.36Å; V209-Q235 WeakPolarHBondContact CG1-O 3.34Å; P232-Q235 PolarHBondContact O-NE2 2.8Å; Q235-W259 WeakPolarHBondContact O-CZ2 3.27Å
236K98.5Very high96.2Very high28 Ų2841 Ų4112%0.12220%0.2CC..  trans-135.489.3-174.8-59.5-172.2-174.2-171.80110.4E197 F198 A204 V207 V209E197-K236 WeakPolarHBondContact CA-O 3.46Å; E197-K236 PolarHBondContact OE1-N 2.64Å; F198-K236 HydrophobicContact CD1-CB 4.16Å; F198-K236 WeakPolarHBondContact CD1-O 3.38Å; F198-K236 HydrophobicContact CD2-CB 4.27Å; F198-K236 VanDerWaalsContact CE1-C 3.48Å; F198-K236 HydrophobicContact CE1-CB 3.81Å; F198-K236 WeakPolarHBondContact CE1-O 3.34Å; F198-K236 HydrophobicContact CE2-CB 3.95Å; F198-K236 HydrophobicContact CE2-CD 4.13Å; F198-K236 HydrophobicContact CG-CB 4.39Å; F198-K236 HydrophobicContact CZ-CB 3.7Å; F198-K236 HydrophobicContact CZ-CD 4.49Å; F198-K236 PolarHBondContact N-O 2.76Å; A204-K236 HydrophobicContact CB-CD 4.39Å; A204-K236 PolarHBondContact O-NZ 2.78Å; V207-K236 VanDerWaalsContact O-CE 3.29Å; V207-K236 WeakPolarHBondContact O-CE 3.39Å; V207-K236 PolarHBondContact O-NZ 2.7Å; V209-K236 HydrophobicContact CG1-CG 3.95Å
237Y98.6Very high96.6Very high36 Ų3636.1 Ų36.114%0.14118%0.175CC..EExtended strand (participates in β ladder)trans-100.1136.9170.2-65.9-74.5000111.3L196 E197 F198 V234 F253 F333 G334L196-Y237 WeakPolarHBondContact O-CA 3.18Å; E197-Y237 HydrophobicContact CB-CD1 3.89Å; E197-Y237 HydrophobicContact CB-CE1 3.64Å; E197-Y237 HydrophobicContact CG-CD1 3.83Å; E197-Y237 HydrophobicContact CG-CE1 3.49Å; E197-Y237 VanDerWaalsContact CG-CE1 3.49Å; E197-Y237 HydrophobicContact CG-CE2 4.43Å; E197-Y237 HydrophobicContact CG-CG 4.43Å; F198-Y237 VanDerWaalsContact CE1-C 3.49Å; V234-Y237 HydrophobicContact CB-CE2 4.18Å; V234-Y237 WeakPolarHBondContact CG1-OH 3.32Å; V234-Y237 WeakPolarHBondContact O-CE2 3.01Å; Y237-F253 HydrophobicContact CE2-CZ 4.28Å; Y237-F333 WeakPolarHBondContact O-CA 3.03Å; Y237-G334 PolarHBondContact N-O 3.04Å; Y237-G334 PolarHBondContact O-N 3.37Å
238C98.8Very high96.9Very high0 Ų036 Ų360%017%0.172CC..EExtended strand (participates in β ladder)trans-105.8115.8168.4-1770000108.1L196 F198 M203 F333L196-C238 HydrophobicContact CD2-CB 4.33Å; L196-C238 HydrophobicContact CG-CB 4.4Å; L196-C238 PolarHBondContact O-N 2.82Å; F198-C238 HydrophobicContact CD1-CB 3.79Å; F198-C238 HydrophobicContact CE1-CB 3.88Å; M203-C238 HydrophobicContact CE-CB 3.66Å; C238-F333 HydrophobicContact CB-CD1 4.31Å; C238-F333 HydrophobicContact CB-CE1 3.99Å
239L98.7Very high97.3Very high18 Ų1828.7 Ų28.79%0.09414%0.14CC..EExtended strand (participates in β ladder)trans-106126.2-176.5-54.595.2000109.1L193 I194 Y260 M331 A332L193-L239 CarbonylContact O-C 3.6Å; L193-L239 WeakPolarHBondContact O-CA 3.47Å; I194-L239 HydrophobicContact CB-CD2 3.97Å; I194-L239 HydrophobicContact CG2-CD2 4.17Å; L239-Y260 HydrophobicContact CD1-CE2 4.13Å; L239-Y260 HydrophobicContact CD2-CE2 3.76Å; L239-M331 VanDerWaalsContact O-CA 3.29Å; L239-M331 WeakPolarHBondContact O-CA 3.4Å; L239-A332 HydrophobicContact CB-CB 4.44Å; L239-A332 PolarHBondContact N-O 3.47Å; L239-A332 PolarHBondContact O-N 2.98Å
240M98.6Very high97.6Very high0 Ų029.9 Ų29.90%015%0.146CC..EExtended strand (participates in β ladder)trans-128.5108.6179.1-69.7-175.2-70.600108.6V147 V150 L175 F178 I179 F182 L193 L196 M331V147-M240 HydrophobicContact CB-SD 3.66Å; V147-M240 HydrophobicContact CG1-CG 4.36Å; V147-M240 HydrophobicContact CG1-SD 3.59Å; V147-M240 VanDerWaalsContact CG1-SD 3.59Å; V150-M240 HydrophobicContact CB-CE 4.34Å; V150-M240 HydrophobicContact CB-SD 4.4Å; V150-M240 HydrophobicContact CG1-CE 3.88Å; V150-M240 HydrophobicContact CG2-SD 4.15Å; L175-M240 HydrophobicContact CD1-CE 3.96Å; F178-M240 HydrophobicContact CD1-CE 4.31Å; F178-M240 HydrophobicContact CE1-CB 3.8Å; F178-M240 HydrophobicContact CE1-CE 4.11Å; F178-M240 HydrophobicContact CZ-CB 4.21Å; F178-M240 WeakPolarHBondContact CZ-O 3.48Å; I179-M240 HydrophobicContact CD1-CE 3.96Å; I179-M240 HydrophobicContact CD1-SD 4.1Å; F182-M240 HydrophobicContact CE2-CB 4.43Å; L193-M240 HydrophobicContact CB-CB 4.5Å; L193-M240 HydrophobicContact CD2-CE 3.65Å; L193-M240 PolarHBondContact N-O 2.92Å; L193-M240 PolarHBondContact O-N 3.49Å; L196-M240 HydrophobicContact CD2-CE 4.32Å; M240-M331 HydrophobicContact CG-CB 4.32Å; M240-M331 HydrophobicContact CG-CG 3.79Å; M240-M331 HydrophobicContact CG-SD 3.84Å; M240-M331 HydrophobicContact SD-SD 3.89Å
241G97.6Very high97.8Very high0 Ų026.9 Ų26.90%013%0.125CC..EExtended strand (participates in β ladder)trans-124.6133-179.900000110.7N192 C330N192-G241 VanDerWaalsContact OD1-CA 3.28Å; N192-G241 WeakPolarHBondContact OD1-CA 3.4Å; G241-C330 PolarHBondContact N-O 3.28Å; G241-C330 PolarHBondContact O-N 2.81Å
242V98.3Very high98Very high3 Ų324.5 Ų24.52%0.01812%0.115CC..  trans-74.4161.6170.6-58.50000110.5Y181 F182 V190 S245 T326 D329Y181-V242 HydrophobicContact CE1-CG1 3.82Å; F182-V242 HydrophobicContact CD2-CG1 3.65Å; F182-V242 HydrophobicContact CE2-CG1 3.71Å; F182-V242 HydrophobicContact CG-CG1 4.38Å; F182-V242 HydrophobicContact CZ-CG1 4.46Å; V190-V242 HydrophobicContact CB-CG2 4.47Å; V190-V242 HydrophobicContact CG1-CG2 3.84Å; V242-S245 WeakPolarHBondContact CG2-OG 3.45Å; V242-S245 PolarHBondContact N-OG 3.27Å; V242-S245 WeakPolarHBondContact O-CB 3.34Å; V242-S245 PolarHBondContact O-N 3.39Å; V242-S245 VanDerWaalsContact O-N 3.09Å; V242-S245 PolarHBondContact O-OG 2.93Å; V242-T326 WeakPolarHBondContact O-CG2 3.28Å; V242-D329 VanDerWaalsContact CA-OD1 3.29Å; V242-D329 WeakPolarHBondContact CA-OD1 3.37Å
243K98.2Very high98.1Very high107 Ų10726.2 Ų26.247%0.46512%0.123SC..THydrogen-bonded Turntrans-47.9144170172.6169.8178.1179.90111.4S245 T326 S327 D329K243-S245 PolarHBondContact O-N 3.13Å; K243-T326 CarbonylContact C-O 3.57Å; K243-S327 WeakPolarHBondContact CD-O 3.49Å; K243-S327 WeakPolarHBondContact CG-O 3.48Å; K243-D329 PolarHBondContact N-OD1 2.91Å
244D98.3Very high98.2Very high50 Ų5021 Ų2127%0.26710%0.1SC..THydrogen-bonded Turntrans66.48.2-177.2-58.2-39.4000113.9V91 Q95 Y246 T326V91-D244 HydrophobicContact CG1-CB 3.92Å; Q95-D244 PolarHBondContact NE2-OD1 2.99Å; D244-Y246 PolarHBondContact O-N 2.78Å; D244-T326 PolarHBondContact N-O 3.17Å
245S98.7Very high98.3Very high0 Ų020.9 Ų20.90%010%0.099CC..  trans-66.7129.7170.7-62.60000111.9V190 V242 K243 L325 T326V190-S245 WeakPolarHBondContact CG1-OG 3.36Å; V242-S245 WeakPolarHBondContact CG2-OG 3.45Å; V242-S245 PolarHBondContact N-OG 3.27Å; V242-S245 WeakPolarHBondContact O-CB 3.34Å; V242-S245 PolarHBondContact O-N 3.39Å; V242-S245 VanDerWaalsContact O-N 3.09Å; V242-S245 PolarHBondContact O-OG 2.93Å; K243-S245 PolarHBondContact O-N 3.13Å; S245-L325 CarbonylContact O-C 3.53Å; S245-T326 VanDerWaalsContact O-CB 3.26Å; S245-T326 WeakPolarHBondContact O-CB 3.41Å; S245-T326 PolarHBondContact O-N 2.91Å; S245-T326 PolarHBondContact O-OG1 2.91Å
246Y98.8Very high98.4Very high0 Ų020 Ų200%010%0.095CC..EExtended strand (participates in β ladder)trans-128135.7-177.6-179-105.8000112.2A85 F90 L94 V165 Q168 D244 D248 V324 L325A85-Y246 HydrophobicContact CB-CE1 4.34Å; F90-Y246 HydrophobicContact CD1-CD1 4.35Å; F90-Y246 HydrophobicContact CD1-CE1 4.43Å; F90-Y246 AromaticContact CE1-CD1 3.57Å; F90-Y246 HydrophobicContact CE1-CD1 3.57Å; F90-Y246 HydrophobicContact CE1-CD2 4.13Å; F90-Y246 AromaticContact CE1-CE1 3.33Å; F90-Y246 HydrophobicContact CE1-CE1 3.33Å; F90-Y246 AromaticContact CE1-CE2 3.96Å; F90-Y246 HydrophobicContact CE1-CE2 3.96Å; F90-Y246 AromaticContact CE1-CG 3.95Å; F90-Y246 HydrophobicContact CE1-CG 3.95Å; F90-Y246 AromaticContact CE1-CZ 3.55Å; F90-Y246 HydrophobicContact CZ-CD1 4.25Å; F90-Y246 AromaticContact CZ-CE1 3.55Å; F90-Y246 HydrophobicContact CZ-CE1 3.55Å; F90-Y246 HydrophobicContact CZ-CE2 4.33Å; F90-Y246 AromaticContact CZ-CZ 3.6Å; L94-Y246 HydrophobicContact CD2-CD2 3.66Å; L94-Y246 HydrophobicContact CD2-CE2 3.41Å; L94-Y246 VanDerWaalsContact CD2-CE2 3.41Å; V165-Y246 VanDerWaalsContact CG1-N 3.33Å; Q168-Y246 PolarHBondContact NE2-O 3.32Å; D244-Y246 PolarHBondContact O-N 2.78Å; Y246-D248 VanDerWaalsContact CE1-CA 3.47Å; Y246-D248 HydrophobicContact CE1-CB 3.76Å; Y246-D248 PolarHBondContact OH-OD1 3.35Å; Y246-D248 VanDerWaalsContact OH-OD1 3.06Å; Y246-V324 WeakPolarHBondContact CA-O 3.29Å; Y246-V324 VanDerWaalsContact CD2-O 3.3Å; Y246-V324 WeakPolarHBondContact CD2-O 3.14Å; Y246-L325 HydrophobicContact CD2-CB 4.3Å
247T98.5Very high98.5Very high23 Ų2318.7 Ų18.714%0.1419%0.089CC..EExtended strand (participates in β ladder)trans-117.5123.6167.9-60.10000107.7N192 I194 G323 V324N192-T247 PolarHBondContact ND2-OG1 2.95Å; I194-T247 HydrophobicContact CD1-CG2 4.46Å; T247-G323 WeakPolarHBondContact O-CA 3.39Å; T247-V324 PolarHBondContact N-O 3.14Å; T247-V324 PolarHBondContact O-N 3.19Å
248D98.6Very high98.5Very high21 Ų2117.4 Ų17.411%0.1129%0.085CC..EExtended strand (participates in β ladder)trans-69172.4-176-151.2-11.5000112.9A85 Y246 H250A85-D248 WeakPolarHBondContact CB-OD2 3.48Å; Y246-D248 VanDerWaalsContact CE1-CA 3.47Å; Y246-D248 HydrophobicContact CE1-CB 3.76Å; Y246-D248 PolarHBondContact OH-OD1 3.35Å; Y246-D248 VanDerWaalsContact OH-OD1 3.06Å; D248-H250 PolarHBondContact O-N 3.26Å; D248-H250 PolarHBondContact O-ND1 3.38Å
249F98.8Very high98.5Very high4 Ų417.6 Ų17.62%0.0189%0.086CC..EExtended strand (participates in β ladder)trans-59.2123.5-177.9-69.2-86.2000111.9Y270 I272 W285 F295 F296 I321 H322F249-Y270 WeakPolarHBondContact CE1-O 3.48Å; F249-I272 HydrophobicContact CD1-CD1 3.7Å; F249-I272 HydrophobicContact CE1-CD1 3.44Å; F249-I272 VanDerWaalsContact CE1-CD1 3.44Å; F249-I272 HydrophobicContact CE1-CG1 4.21Å; F249-I272 HydrophobicContact CZ-CD1 4.21Å; F249-W285 HydrophobicContact CB-CH2 3.93Å; F249-W285 HydrophobicContact CB-CZ3 4.15Å; F249-W285 VanDerWaalsContact O-CH2 3.27Å; F249-W285 WeakPolarHBondContact O-CH2 3.28Å; F249-W285 WeakPolarHBondContact O-CZ3 3.39Å; F249-F295 HydrophobicContact CE2-CD1 4.49Å; F249-F295 AromaticContact CE2-CD2 3.83Å; F249-F295 HydrophobicContact CE2-CD2 3.83Å; F249-F295 HydrophobicContact CE2-CE1 4.18Å; F249-F295 AromaticContact CE2-CE2 3.46Å; F249-F295 HydrophobicContact CE2-CE2 3.46Å; F249-F295 VanDerWaalsContact CE2-CE2 3.46Å; F249-F295 HydrophobicContact CE2-CG 4.34Å; F249-F295 AromaticContact CE2-CZ 3.65Å; F249-F295 HydrophobicContact CE2-CZ 3.65Å; F249-F295 HydrophobicContact CZ-CE1 4.18Å; F249-F295 AromaticContact CZ-CE2 3.91Å; F249-F295 HydrophobicContact CZ-CE2 3.91Å; F249-F295 AromaticContact CZ-CZ 3.64Å; F249-F295 HydrophobicContact CZ-CZ 3.64Å; F249-F296 HydrophobicContact CB-CB 4.08Å; F249-F296 HydrophobicContact CB-CD1 4.12Å; F249-F296 HydrophobicContact CB-CG 4.46Å; F249-F296 HydrophobicContact CD1-CD1 4.24Å; F249-F296 HydrophobicContact CD2-CB 3.62Å; F249-F296 HydrophobicContact CE2-CB 4.18Å; F249-F296 HydrophobicContact CG-CB 3.91Å; F249-F296 HydrophobicContact CG-CD1 4.07Å; F249-F296 HydrophobicContact CG-CG 4.48Å; F249-I321 HydrophobicContact CB-CG2 4.19Å; F249-I321 HydrophobicContact CD1-CG2 4.27Å; F249-H322 WeakPolarHBondContact CA-O 3.47Å
250H98.7Very high98.5Very high53 Ų5317.6 Ų17.625%0.2459%0.085CC..EExtended strand (participates in β ladder)trans-143.5173.2177.262.2-72.5000111D248 Y282 I321 H322D248-H250 PolarHBondContact O-N 3.26Å; D248-H250 PolarHBondContact O-ND1 3.38Å; H250-Y282 WeakPolarHBondContact CA-OH 3.27Å; H250-I321 CarbonylContact O-C 3.54Å; H250-I321 WeakPolarHBondContact O-CA 3.26Å; H250-H322 AromaticContact CE1-CE1 3.92Å; H250-H322 AromaticContact CE1-NE2 3.62Å; H250-H322 PolarHBondContact N-O 3.3Å; H250-H322 PolarHBondContact ND1-O 2.97Å; H250-H322 VanDerWaalsContact ND1-O 3.15Å; H250-H322 AromaticContact NE2-CE1 3.57Å; H250-H322 AromaticContact NE2-NE2 3.56Å; H250-H322 PolarHBondContact O-N 2.69Å
251I98.8Very high98.5Very high18 Ų1817.9 Ų17.99%0.0929%0.086CC..  trans-115.2136.6165.1-61.3173.6000106.6L279 Y282 I321 C349 M352I251-L279 HydrophobicContact CD1-CD2 3.67Å; I251-Y282 HydrophobicContact CD1-CD1 3.79Å; I251-Y282 HydrophobicContact CD1-CE1 3.7Å; I251-Y282 HydrophobicContact CD1-CG 4.46Å; I251-Y282 HydrophobicContact CG1-CD1 4.34Å; I251-Y282 HydrophobicContact CG1-CE1 3.95Å; I251-Y282 HydrophobicContact CG1-CE2 4.48Å; I251-Y282 PolarHBondContact N-OH 2.85Å; I251-I321 HydrophobicContact CD1-CG1 3.71Å; I251-I321 HydrophobicContact CG1-CB 4.3Å; I251-I321 HydrophobicContact CG1-CG1 3.54Å; I251-C349 HydrophobicContact CG2-CB 4.46Å; I251-M352 HydrophobicContact CD1-SD 4.29Å
252D98.6Very high98.5Very high19 Ų1917.9 Ų17.910%0.1029%0.086CC..  trans-55.3139.6174.9-76.1-78.7000112.5G255 T256 V258 H322 N336D252-G255 WeakPolarHBondContact O-CA 3.44Å; D252-G255 PolarHBondContact O-N 3.2Å; D252-T256 WeakPolarHBondContact CB-OG1 3.28Å; D252-T256 PolarHBondContact O-N 2.94Å; D252-V258 WeakPolarHBondContact OD2-CG1 3.37Å; D252-H322 IonicContact OD2-CE1 3.17Å; D252-H322 PolarHBondContact OD2-CE1 3.38Å; D252-H322 VanDerWaalsContact OD2-CE1 3.28Å; D252-N336 PolarHBondContact OD1-ND2 2.93Å
253F97.7Very high98.5Very high40 Ų4018 Ų1818%0.1759%0.087CC..G310 helixtrans-55.8139.6-174.252.9-99.5000113.6V234 Y237 G255 T256 N336 F364V234-F253 HydrophobicContact CB-CE2 4.02Å; V234-F253 HydrophobicContact CB-CZ 3.99Å; V234-F253 HydrophobicContact CG1-CE2 3.87Å; V234-F253 HydrophobicContact CG1-CZ 4.03Å; V234-F253 HydrophobicContact CG2-CE2 4.32Å; Y237-F253 HydrophobicContact CE2-CZ 4.28Å; F253-G255 PolarHBondContact O-N 2.81Å; F253-T256 WeakPolarHBondContact O-CB 3.29Å; F253-T256 WeakPolarHBondContact O-CG2 3.49Å; F253-T256 PolarHBondContact O-N 2.82Å; F253-T256 VanDerWaalsContact O-N 3.13Å; F253-T256 PolarHBondContact O-OG1 2.84Å; F253-N336 HydrophobicContact CE1-CB 4.49Å; F253-N336 HydrophobicContact CE2-CB 3.89Å; F253-N336 HydrophobicContact CZ-CB 3.64Å; F253-F364 HydrophobicContact CD2-CB 3.9Å; F253-F364 AromaticContact CD2-CD2 3.83Å; F253-F364 HydrophobicContact CD2-CD2 3.83Å; F253-F364 HydrophobicContact CD2-CG 4.31Å; F253-F364 AromaticContact CE2-CD2 3.88Å; F253-F364 HydrophobicContact CE2-CD2 3.88Å
254G97.6Very high98.6Very high0 Ų015.2 Ų15.20%07%0.073CC..G310 helixtrans6610.6-170.300000114.1T256 E353 F367G254-T256 VanDerWaalsContact C-N 3.3Å; G254-E353 WeakPolarHBondContact CA-OE1 3.43Å; G254-E353 PolarHBondContact N-OE1 2.75Å; G254-E353 PolarHBondContact N-OE2 2.72Å; G254-F367 WeakPolarHBondContact O-CE2 3.47Å
255G98.4Very high98.6Very high0 Ų013.5 Ų13.50%07%0.068CC..G310 helixtrans60.236.6-164.800000112.9D252 F253 T318 E353D252-G255 WeakPolarHBondContact O-CA 3.44Å; D252-G255 PolarHBondContact O-N 3.2Å; F253-G255 PolarHBondContact O-N 2.81Å; G255-T318 WeakPolarHBondContact O-CG2 3.34Å; G255-E353 PolarHBondContact N-OE1 2.87Å
256T98.8Very high98.6Very high1 Ų115.4 Ų15.41%0.0068%0.077CC..  trans-59.7158.8-179.235.10000112.7D252 F253 G254 N336 L338 F364D252-T256 WeakPolarHBondContact CB-OG1 3.28Å; D252-T256 PolarHBondContact O-N 2.94Å; F253-T256 WeakPolarHBondContact O-CB 3.29Å; F253-T256 WeakPolarHBondContact O-CG2 3.49Å; F253-T256 PolarHBondContact O-N 2.82Å; F253-T256 VanDerWaalsContact O-N 3.13Å; F253-T256 PolarHBondContact O-OG1 2.84Å; G254-T256 VanDerWaalsContact C-N 3.3Å; T256-N336 HydrophobicContact CG2-CB 4.1Å; T256-N336 PolarHBondContact OG1-ND2 3.29Å; T256-L338 HydrophobicContact CG2-CD2 3.43Å; T256-L338 VanDerWaalsContact CG2-CD2 3.43Å; T256-L338 HydrophobicContact CG2-CG 3.66Å; T256-F364 HydrophobicContact CG2-CD2 3.65Å; T256-F364 HydrophobicContact CG2-CE2 3.83Å
257S98.9Very high98.5Very high0 Ų015.5 Ų15.50%08%0.077CC..EExtended strand (participates in β ladder)trans-89144.6158.4-61.40000108I316 T318 N336 F337 H339S257-I316 CarbonylContact C-O 3.57Å; S257-I316 WeakPolarHBondContact CA-O 3.46Å; S257-T318 PolarHBondContact OG-N 3.28Å; S257-T318 PolarHBondContact OG-OG1 3.31Å; S257-T318 VanDerWaalsContact OG-OG1 3.08Å; S257-N336 CarbonylContact O-C 3.54Å; S257-N336 WeakPolarHBondContact O-CA 3.47Å; S257-F337 PolarHBondContact N-O 2.83Å; S257-F337 WeakPolarHBondContact O-CD1 3.18Å; S257-F337 PolarHBondContact O-N 2.69Å; S257-H339 PolarHBondContact OG-CE1 2.95Å; S257-H339 PolarHBondContact OG-NE2 2.98Å
258V98.7Very high98.6Very high9 Ų915 Ų156%0.0557%0.074CC..EExtended strand (participates in β ladder)trans-123142.1-177.760.50000111.3D252 L315 I316 G335D252-V258 WeakPolarHBondContact OD2-CG1 3.37Å; V258-L315 WeakPolarHBondContact O-CA 3.36Å; V258-I316 HydrophobicContact CG1-CB 3.73Å; V258-I316 HydrophobicContact CG1-CD1 4.11Å; V258-I316 HydrophobicContact CG1-CG1 4.15Å; V258-I316 PolarHBondContact N-O 2.82Å; V258-I316 PolarHBondContact O-N 2.92Å; V258-G335 WeakPolarHBondContact CA-O 3.4Å
259W98.8Very high98.6Very high3 Ų314.1 Ų14.11%0.0117%0.069CC..EExtended strand (participates in β ladder)trans-104.7142.4164.570.1-89.4000109.5L138 V207 V209 P210 Q235 H261 L315 F333 G334 G335L138-W259 HydrophobicContact CD1-CE3 4.17Å; L138-W259 HydrophobicContact CD1-CH2 4.08Å; L138-W259 HydrophobicContact CD1-CZ3 3.63Å; V207-W259 HydrophobicContact CG1-CH2 4.39Å; V209-W259 HydrophobicContact CB-CZ2 3.99Å; V209-W259 HydrophobicContact CG1-CZ2 3.76Å; P210-W259 HydrophobicContact CG-CB 4Å; P210-W259 HydrophobicContact CG-CD2 3.69Å; P210-W259 HydrophobicContact CG-CE3 3.82Å; P210-W259 HydrophobicContact CG-CG 3.77Å; Q235-W259 WeakPolarHBondContact O-CZ2 3.27Å; W259-H261 HydrophobicContact CZ3-CB 4.41Å; W259-L315 HydrophobicContact CB-CD2 3.39Å; W259-F333 HydrophobicContact CH2-CB 4.02Å; W259-F333 HydrophobicContact CZ3-CB 4.13Å; W259-F333 WeakPolarHBondContact CZ3-O 3.43Å; W259-G334 VanDerWaalsContact CZ2-C 3.46Å; W259-G334 WeakPolarHBondContact CZ2-O 3.38Å; W259-G334 CarbonylContact O-C 3.5Å; W259-G334 WeakPolarHBondContact O-CA 3.24Å; W259-G335 PolarHBondContact N-O 3.11Å; W259-G335 VanDerWaalsContact NE1-CA 3.35Å; W259-G335 PolarHBondContact NE1-O 3.08Å; W259-G335 PolarHBondContact O-N 3.26Å
260Y98.8Very high98.6Very high18 Ų1814 Ų147%0.0717%0.068CC..EExtended strand (participates in β ladder)trans-145.2127.2-174.2-158.7-78.5000110.4L239 V262 K267 F269 T313 L314 A332 F333L239-Y260 HydrophobicContact CD1-CE2 4.13Å; L239-Y260 HydrophobicContact CD2-CE2 3.76Å; Y260-V262 HydrophobicContact CD1-CG2 4.32Å; Y260-V262 HydrophobicContact CE1-CG2 4Å; Y260-K267 HydrophobicContact CE1-CG 4Å; Y260-K267 WeakPolarHBondContact OH-CE 3.5Å; Y260-F269 HydrophobicContact CD1-CE2 4.22Å; Y260-F269 AromaticContact CD1-CZ 3.93Å; Y260-F269 HydrophobicContact CD1-CZ 3.93Å; Y260-F269 AromaticContact CD2-CZ 3.9Å; Y260-F269 HydrophobicContact CD2-CZ 3.9Å; Y260-F269 HydrophobicContact CE1-CE2 4.24Å; Y260-F269 HydrophobicContact CE1-CZ 4.03Å; Y260-F269 AromaticContact CE2-CZ 3.98Å; Y260-F269 HydrophobicContact CE2-CZ 3.98Å; Y260-F269 AromaticContact CG-CZ 3.87Å; Y260-F269 HydrophobicContact CG-CZ 3.87Å; Y260-T313 CarbonylContact O-C 3.58Å; Y260-T313 VanDerWaalsContact O-CA 3.28Å; Y260-T313 WeakPolarHBondContact O-CA 3.14Å; Y260-T313 WeakPolarHBondContact O-CG2 3.46Å; Y260-L314 PolarHBondContact N-O 3.38Å; Y260-L314 PolarHBondContact O-N 3.16Å; Y260-A332 HydrophobicContact CD1-CB 4.21Å; Y260-A332 HydrophobicContact CE1-CB 3.39Å; Y260-F333 CarbonylContact C-O 3.59Å
261H98.8Very high98.6Very high6 Ų611.5 Ų11.53%0.0286%0.056CC..EExtended strand (participates in β ladder)trans-130.8126179.3-176.8100.9000110.6L138 L140 W259 G311 T313 A332 F333L138-H261 HydrophobicContact CD2-CB 4.15Å; L140-H261 HydrophobicContact CD1-CB 4.09Å; L140-H261 WeakPolarHBondContact CD1-CD2 3.46Å; W259-H261 HydrophobicContact CZ3-CB 4.41Å; H261-G311 PolarHBondContact CE1-O 2.97Å; H261-T313 HydrophobicContact CB-CG2 4.26Å; H261-T313 PolarHBondContact ND1-OG1 3.28Å; H261-A332 CarbonylContact O-C 3.56Å; H261-A332 WeakPolarHBondContact O-CA 3.5Å; H261-A332 VanDerWaalsContact O-CB 3.27Å; H261-A332 WeakPolarHBondContact O-CB 3.36Å; H261-F333 PolarHBondContact N-O 2.83Å; H261-F333 PolarHBondContact O-N 3.22Å
262V98.8Very high98.6Very high0 Ų010.6 Ų10.60%05%0.052CC..EExtended strand (participates in β ladder)trans-88.4112177.9177.80000109.7Y260 W264 G265 K267 V308 Q310 G311 T312 A332Y260-V262 HydrophobicContact CD1-CG2 4.32Å; Y260-V262 HydrophobicContact CE1-CG2 4Å; V262-W264 WeakPolarHBondContact CG1-O 3.17Å; V262-G265 WeakPolarHBondContact CG1-O 3.2Å; V262-K267 HydrophobicContact CG2-CB 4.39Å; V262-K267 HydrophobicContact CG2-CG 4.11Å; V262-V308 HydrophobicContact CG2-CB 4.35Å; V262-V308 HydrophobicContact CG2-CG1 3.75Å; V262-Q310 WeakPolarHBondContact O-CA 3.41Å; V262-G311 PolarHBondContact O-N 2.88Å; V262-T312 PolarHBondContact N-O 3.3Å; V262-A332 HydrophobicContact CG2-CB 4.42Å
263L98.5Very high98.6Very high7 Ų713.3 Ų13.34%0.0376%0.063CC..EExtended strand (participates in β ladder)trans-74.8-39.7179.3-169.479.9000111.4P141 F145 Q310 M331 F333P141-L263 WeakPolarHBondContact O-CD1 3.47Å; F145-L263 HydrophobicContact CB-CD2 4.04Å; L263-Q310 VanDerWaalsContact O-CG 3.3Å; L263-Q310 WeakPolarHBondContact O-CG 3.26Å; L263-Q310 PolarHBondContact O-NE2 3.32Å; L263-M331 HydrophobicContact CD2-CE 3.7Å; L263-M331 PolarHBondContact N-O 2.77Å; L263-F333 HydrophobicContact CB-CD2 4.49Å; L263-F333 HydrophobicContact CB-CE2 4.5Å; L263-F333 HydrophobicContact CD2-CE2 4.25Å
264W98.6Very high98.7Very high47 Ų4712.2 Ų12.218%0.1786%0.06CC..EExtended strand (participates in β ladder)trans-157.3159.8170.145.9-104.7000111.3F145 V147 F182 V262 C330 M331F145-W264 PolarHBondContact O-NE1 3.06Å; V147-W264 HydrophobicContact CG1-CH2 3.57Å; V147-W264 HydrophobicContact CG1-CZ2 3.65Å; F182-W264 AromaticContact CE1-CH2 3.97Å; F182-W264 HydrophobicContact CE1-CH2 3.97Å; F182-W264 HydrophobicContact CE1-CZ3 4.41Å; F182-W264 AromaticContact CZ-CH2 3.86Å; F182-W264 HydrophobicContact CZ-CH2 3.86Å; F182-W264 HydrophobicContact CZ-CZ3 4.11Å; V262-W264 WeakPolarHBondContact CG1-O 3.17Å; W264-C330 WeakPolarHBondContact O-CA 3.16Å; W264-C330 PolarHBondContact O-SG 2.91Å; W264-M331 HydrophobicContact CD2-CB 3.98Å; W264-M331 HydrophobicContact CE3-CB 4.22Å; W264-M331 HydrophobicContact CH2-CB 3.62Å; W264-M331 HydrophobicContact CZ2-CB 3.34Å; W264-M331 HydrophobicContact CZ2-CE 4.01Å; W264-M331 HydrophobicContact CZ2-CG 4.32Å; W264-M331 HydrophobicContact CZ2-SD 4.13Å; W264-M331 HydrophobicContact CZ3-CB 4.06Å; W264-M331 PolarHBondContact N-O 2.91Å; W264-M331 PolarHBondContact O-N 2.81Å; W264-M331 VanDerWaalsContact O-N 3.13Å
265G98.3Very high98.7Very high15 Ų1514.2 Ų14.216%0.1557%0.072CC..SBendtrans81.6-154.9-169.700000112.7V262 Q310 D329V262-G265 WeakPolarHBondContact CG1-O 3.2Å; G265-Q310 PolarHBondContact O-N 2.88Å; G265-D329 WeakPolarHBondContact CA-O 3.29Å
266E98.6Very high98.7Very high39 Ų3918.8 Ų18.818%0.18210%0.102CC..EExtended strand (participates in β ladder)trans-149.4144-176.1-176.1-172.498.600111.5V307 T309 S327E266-V307 HydrophobicContact CG-CG1 3.76Å; E266-T309 HydrophobicContact CG-CG2 4.42Å; E266-S327 WeakPolarHBondContact CB-OG 3.45Å; E266-S327 VanDerWaalsContact CD-OG 3.26Å; E266-S327 WeakPolarHBondContact CG-OG 3.4Å; E266-S327 WeakPolarHBondContact OE1-CB 3.36Å; E266-S327 PolarHBondContact OE1-OG 2.98Å
267K98.6Very high98.7Very high3 Ų323 Ų231%0.01313%0.127CC..EExtended strand (participates in β ladder)trans-122.9143.5171.7-65.4-72.5-178.8171.40110.1Y260 V262 F269 V308 V324 T326 C330Y260-K267 HydrophobicContact CE1-CG 4Å; Y260-K267 WeakPolarHBondContact OH-CE 3.5Å; V262-K267 HydrophobicContact CG2-CB 4.39Å; V262-K267 HydrophobicContact CG2-CG 4.11Å; K267-F269 HydrophobicContact CB-CD2 4.29Å; K267-F269 HydrophobicContact CB-CE2 3.83Å; K267-V308 PolarHBondContact N-O 3.05Å; K267-V308 PolarHBondContact O-N 3.36Å; K267-V324 HydrophobicContact CB-CG1 4.4Å; K267-V324 HydrophobicContact CD-CG1 4.09Å; K267-T326 HydrophobicContact CD-CG2 4.15Å; K267-T326 PolarHBondContact NZ-OG1 3.24Å; K267-C330 WeakPolarHBondContact CE-SG 3.37Å
268I98.9Very high98.7Very high13 Ų1323.3 Ų23.37%0.06713%0.129CC..EExtended strand (participates in β ladder)trans-118.2112.8175.3-56-179.4000108.1Y270 K305 C306 V307 V324 L325I268-Y270 HydrophobicContact CG2-CE1 4.31Å; I268-Y270 HydrophobicContact CG2-CE2 4Å; I268-K305 HydrophobicContact CG2-CD 4.35Å; I268-K305 HydrophobicContact CG2-CG 3.73Å; I268-C306 CarbonylContact C-O 3.59Å; I268-C306 WeakPolarHBondContact CA-O 3.46Å; I268-V307 HydrophobicContact CG1-CG2 4.36Å; I268-V324 WeakPolarHBondContact O-CA 3.39Å; I268-L325 HydrophobicContact CB-CB 4.38Å; I268-L325 PolarHBondContact N-O 3.35Å; I268-L325 PolarHBondContact O-N 3.33Å
269F98.9Very high98.7Very high2 Ų223.2 Ų23.21%0.00913%0.128CC..EExtended strand (participates in β ladder)trans-93.2136.8176.4-71.8-105.9000110.4Y260 K267 L271 C306 V308 L314 I316 H322 V324Y260-F269 HydrophobicContact CD1-CE2 4.22Å; Y260-F269 AromaticContact CD1-CZ 3.93Å; Y260-F269 HydrophobicContact CD1-CZ 3.93Å; Y260-F269 AromaticContact CD2-CZ 3.9Å; Y260-F269 HydrophobicContact CD2-CZ 3.9Å; Y260-F269 HydrophobicContact CE1-CE2 4.24Å; Y260-F269 HydrophobicContact CE1-CZ 4.03Å; Y260-F269 AromaticContact CE2-CZ 3.98Å; Y260-F269 HydrophobicContact CE2-CZ 3.98Å; Y260-F269 AromaticContact CG-CZ 3.87Å; Y260-F269 HydrophobicContact CG-CZ 3.87Å; K267-F269 HydrophobicContact CB-CD2 4.29Å; K267-F269 HydrophobicContact CB-CE2 3.83Å; F269-L271 HydrophobicContact CB-CD2 3.84Å; F269-L271 HydrophobicContact CB-CG 4.02Å; F269-L271 HydrophobicContact CD1-CD2 4.33Å; F269-C306 HydrophobicContact CB-CB 4.17Å; F269-C306 PolarHBondContact N-O 2.92Å; F269-C306 PolarHBondContact O-N 3.31Å; F269-V308 HydrophobicContact CD2-CB 4.46Å; F269-V308 HydrophobicContact CD2-CG2 3.7Å; F269-V308 HydrophobicContact CE2-CB 4.39Å; F269-V308 HydrophobicContact CE2-CG2 3.92Å; F269-L314 HydrophobicContact CD1-CD2 4.31Å; F269-L314 HydrophobicContact CD2-CD2 4.09Å; F269-L314 HydrophobicContact CE1-CD2 4.48Å; F269-L314 HydrophobicContact CE2-CD2 4.26Å; F269-L314 HydrophobicContact CG-CD2 4.12Å; F269-L314 HydrophobicContact CZ-CD2 4.46Å; F269-I316 HydrophobicContact CD1-CD1 3.81Å; F269-I316 HydrophobicContact CE1-CD1 3.78Å; F269-H322 AromaticContact CD1-CD2 3.7Å; F269-H322 AromaticContact CE1-CD2 3.91Å; F269-V324 HydrophobicContact CD1-CG2 3.69Å; F269-V324 HydrophobicContact CE1-CG2 3.67Å; F269-V324 HydrophobicContact CE2-CG1 4.43Å; F269-V324 HydrophobicContact CG-CG2 4.33Å; F269-V324 HydrophobicContact CZ-CG1 4.4Å; F269-V324 HydrophobicContact CZ-CG2 4.31Å
270Y98.9Very high98.7Very high1 Ų126 Ų260%0.00415%0.152CC..EExtended strand (participates in β ladder)trans-107.693.2174.9-63.4-81.6000108.2L94 F99 F249 I268 Y304 K305 H322 G323 L325L94-Y270 HydrophobicContact CD1-CE1 3.89Å; L94-Y270 HydrophobicContact CD1-CE2 4.06Å; L94-Y270 HydrophobicContact CD2-CE2 3.94Å; L94-Y270 HydrophobicContact CG-CE2 4.17Å; F99-Y270 HydrophobicContact CD1-CD1 4.14Å; F99-Y270 HydrophobicContact CD1-CE1 4.42Å; F99-Y270 HydrophobicContact CD2-CD1 4.37Å; F99-Y270 AromaticContact CD2-CE1 3.86Å; F99-Y270 HydrophobicContact CD2-CE1 3.86Å; F99-Y270 AromaticContact CE1-CD1 3.78Å; F99-Y270 HydrophobicContact CE1-CD1 3.78Å; F99-Y270 HydrophobicContact CE1-CE1 4.04Å; F99-Y270 HydrophobicContact CE2-CD1 4.05Å; F99-Y270 AromaticContact CE2-CE1 3.43Å; F99-Y270 HydrophobicContact CE2-CE1 3.43Å; F99-Y270 VanDerWaalsContact CE2-CE1 3.43Å; F99-Y270 HydrophobicContact CG-CD1 4.41Å; F99-Y270 HydrophobicContact CG-CE1 4.35Å; F99-Y270 AromaticContact CZ-CD1 3.74Å; F99-Y270 HydrophobicContact CZ-CD1 3.74Å; F99-Y270 AromaticContact CZ-CE1 3.52Å; F99-Y270 HydrophobicContact CZ-CE1 3.52Å; F249-Y270 WeakPolarHBondContact CE1-O 3.48Å; I268-Y270 HydrophobicContact CG2-CE1 4.31Å; I268-Y270 HydrophobicContact CG2-CE2 4Å; Y270-Y304 CarbonylContact C-O 3.54Å; Y270-Y304 WeakPolarHBondContact CA-O 3.47Å; Y270-K305 HydrophobicContact CE1-CG 4.36Å; Y270-H322 VanDerWaalsContact O-CA 3.28Å; Y270-H322 WeakPolarHBondContact O-CA 3.45Å; Y270-G323 PolarHBondContact N-O 2.93Å; Y270-G323 PolarHBondContact O-N 3.13Å; Y270-L325 HydrophobicContact CE2-CB 3.81Å
271L98.9Very high98.7Very high0 Ų028.2 Ų28.20%016%0.164CC..EExtended strand (participates in β ladder)trans-94.4129.3-165.1-59.3175.3000111.6I105 P127 F269 Y304 C306 I316 W320 H322I105-L271 HydrophobicContact CD1-CB 4.48Å; P127-L271 HydrophobicContact CB-CD1 4.48Å; P127-L271 HydrophobicContact CG-CD1 3.99Å; F269-L271 HydrophobicContact CB-CD2 3.84Å; F269-L271 HydrophobicContact CB-CG 4.02Å; F269-L271 HydrophobicContact CD1-CD2 4.33Å; L271-Y304 PolarHBondContact N-O 3.26Å; L271-Y304 WeakPolarHBondContact O-CD2 3.36Å; L271-Y304 PolarHBondContact O-N 3.33Å; L271-C306 HydrophobicContact CD1-CB 3.62Å; L271-C306 HydrophobicContact CG-CB 4.22Å; L271-I316 HydrophobicContact CD2-CD1 4.15Å; L271-W320 HydrophobicContact CB-CE3 4.17Å; L271-W320 HydrophobicContact CB-CZ3 4.14Å; L271-H322 HydrophobicContact CD2-CB 3.79Å
272I98.9Very high98.7Very high0 Ų028.9 Ų28.90%017%0.167CC..EExtended strand (participates in β ladder)trans-125.8122.5179.4-64.6168000109.3F249 N278 F296 V300 C303 I321F249-I272 HydrophobicContact CD1-CD1 3.7Å; F249-I272 HydrophobicContact CE1-CD1 3.44Å; F249-I272 VanDerWaalsContact CE1-CD1 3.44Å; F249-I272 HydrophobicContact CE1-CG1 4.21Å; F249-I272 HydrophobicContact CZ-CD1 4.21Å; I272-N278 HydrophobicContact CG2-CB 4.16Å; I272-F296 HydrophobicContact CD1-CD1 3.59Å; I272-F296 HydrophobicContact CD1-CE1 3.72Å; I272-F296 HydrophobicContact CG2-CE1 4.42Å; I272-V300 HydrophobicContact CD1-CG2 3.74Å; I272-V300 HydrophobicContact CG1-CG2 3.96Å; I272-V300 HydrophobicContact CG2-CB 4.37Å; I272-V300 HydrophobicContact CG2-CG1 4.14Å; I272-V300 HydrophobicContact CG2-CG2 4.02Å; I272-C303 HydrophobicContact CD1-CB 4.15Å; I272-C303 HydrophobicContact CG1-CB 3.84Å; I272-I321 HydrophobicContact CB-CB 4.06Å; I272-I321 HydrophobicContact CB-CG2 4.43Å; I272-I321 HydrophobicContact CD1-CG2 4.47Å; I272-I321 HydrophobicContact CG2-CB 4.34Å; I272-I321 HydrophobicContact CG2-CD1 4.24Å; I272-I321 PolarHBondContact N-O 3.47Å; I272-I321 PolarHBondContact O-N 3.25Å; I272-I321 VanDerWaalsContact O-N 3.13Å
273K98.8Very high98.7Very high76 Ų7631 Ų3133%0.3318%0.177SC..  trans-65135.4-177-174.5175.5179.1179.20111.2Y126 T275 N278 W320Y126-K273 HydrophobicContact CE1-CD 4.19Å; Y126-K273 PolarHBondContact OH-NZ 2.88Å; K273-T275 HydrophobicContact CD-CG2 4.45Å; K273-T275 HydrophobicContact CG-CG2 4.28Å; K273-T275 PolarHBondContact O-N 3.21Å; K273-N278 WeakPolarHBondContact O-CB 3.31Å; K273-N278 PolarHBondContact O-ND2 3.28Å; K273-W320 HydrophobicContact CB-CH2 3.75Å; K273-W320 HydrophobicContact CB-CZ2 4.02Å; K273-W320 HydrophobicContact CB-CZ3 4.04Å; K273-W320 HydrophobicContact CD-CZ2 4.46Å; K273-W320 HydrophobicContact CG-CH2 4.04Å; K273-W320 HydrophobicContact CG-CZ2 3.83Å
274P98.6Very high98.7Very high17 Ų1733.7 Ų33.711%0.1120%0.2CC..  trans-80.264.3-177.232.1-35.1000112.6L279 G319 W320 M345P274-L279 HydrophobicContact CB-CD1 4.26Å; P274-L279 HydrophobicContact CB-CD2 4.09Å; P274-L279 HydrophobicContact CB-CG 4.22Å; P274-G319 WeakPolarHBondContact CB-O 3.5Å; P274-W320 VanDerWaalsContact CD-CD1 3.44Å; P274-W320 HydrophobicContact CG-CG 4.14Å; P274-M345 HydrophobicContact CB-CE 4.06Å; P274-M345 HydrophobicContact CG-CE 4.26Å; P274-M345 WeakPolarHBondContact O-CE 3.4Å
275T98.6Very high98.7Very high42 Ų4232.1 Ų32.126%0.25819%0.194SC..  trans-69.9155.8167.972.20000109.7K273 T277 N278 L279K273-T275 HydrophobicContact CD-CG2 4.45Å; K273-T275 HydrophobicContact CG-CG2 4.28Å; K273-T275 PolarHBondContact O-N 3.21Å; T275-T277 PolarHBondContact O-N 3.03Å; T275-N278 PolarHBondContact O-N 3.49Å; T275-N278 VanDerWaalsContact O-N 3.16Å; T275-N278 WeakPolarHBondContact OG1-CB 3.35Å; T275-N278 PolarHBondContact OG1-N 2.91Å; T275-N278 PolarHBondContact OG1-ND2 3.04Å; T275-N278 PolarHBondContact OG1-OD1 3.42Å; T275-L279 WeakPolarHBondContact O-CB 3.49Å; T275-L279 VanDerWaalsContact O-CG 3.31Å; T275-L279 WeakPolarHBondContact O-CG 3.24Å; T275-L279 PolarHBondContact O-N 3.37Å
276P98.4Very high98.6Very high96 Ų9632.9 Ų32.962%0.62320%0.197SC*.Hα-helixtrans-54.5-36.1173.7-26.435.7000113A280P276-A280 PolarHBondContact O-N 3.03Å; P276-A280 VanDerWaalsContact O-N 3.16Å
277T98.6Very high98.5Very high88 Ų8834.9 Ų34.954%0.5422%0.215SC..Hα-helixtrans-63.8-52174.7-43.50000111.7T275 L279 A280 L281T275-T277 PolarHBondContact O-N 3.03Å; T277-L279 VanDerWaalsContact C-N 3.31Å; T277-L279 PolarHBondContact O-N 3.38Å; T277-A280 PolarHBondContact O-N 2.86Å; T277-L281 HydrophobicContact CG2-CD1 4Å; T277-L281 WeakPolarHBondContact O-CG 3.37Å; T277-L281 PolarHBondContact O-N 2.87Å
278N98.8Very high98.4Very high8 Ų836.8 Ų36.84%0.04323%0.229CC..Hα-helixtrans-65.8-35.4-177.1-66.50000111.8I272 K273 T275 L281 Y282 V300 I321I272-N278 HydrophobicContact CG2-CB 4.16Å; K273-N278 WeakPolarHBondContact O-CB 3.31Å; K273-N278 PolarHBondContact O-ND2 3.28Å; T275-N278 PolarHBondContact O-N 3.49Å; T275-N278 VanDerWaalsContact O-N 3.16Å; T275-N278 WeakPolarHBondContact OG1-CB 3.35Å; T275-N278 PolarHBondContact OG1-N 2.91Å; T275-N278 PolarHBondContact OG1-ND2 3.04Å; T275-N278 PolarHBondContact OG1-OD1 3.42Å; N278-L281 PolarHBondContact O-N 2.82Å; N278-Y282 VanDerWaalsContact O-CB 3.23Å; N278-Y282 WeakPolarHBondContact O-CB 3.19Å; N278-Y282 PolarHBondContact O-N 2.82Å; N278-V300 HydrophobicContact CB-CG1 4.28Å; N278-I321 HydrophobicContact CB-CD1 4.18Å
279L98.8Very high98.3Very high6 Ų642 Ų423%0.03126%0.264CS..Hα-helixtrans-66-40.2174.6-69.9168.9000112.2I251 P274 T275 T277 Y282 E283 I321 M345 M352I251-L279 HydrophobicContact CD1-CD2 3.67Å; P274-L279 HydrophobicContact CB-CD1 4.26Å; P274-L279 HydrophobicContact CB-CD2 4.09Å; P274-L279 HydrophobicContact CB-CG 4.22Å; T275-L279 WeakPolarHBondContact O-CB 3.49Å; T275-L279 VanDerWaalsContact O-CG 3.31Å; T275-L279 WeakPolarHBondContact O-CG 3.24Å; T275-L279 PolarHBondContact O-N 3.37Å; T277-L279 VanDerWaalsContact C-N 3.31Å; T277-L279 PolarHBondContact O-N 3.38Å; L279-Y282 PolarHBondContact O-N 3.43Å; L279-E283 WeakPolarHBondContact O-CB 3.43Å; L279-E283 PolarHBondContact O-N 3.08Å; L279-I321 HydrophobicContact CD2-CD1 4.32Å; L279-M345 HydrophobicContact CD1-CE 4.02Å; L279-M345 HydrophobicContact CD1-SD 3.72Å; L279-M352 HydrophobicContact CB-CE 4.02Å; L279-M352 HydrophobicContact CD2-CE 4.2Å; L279-M352 WeakPolarHBondContact O-CE 3.37Å
280A98.6Very high98Very high61 Ų6145.5 Ų45.550%0.50428%0.282SS..Hα-helixtrans-69.4-38.7175.500000112.4P276 T277 A284P276-A280 PolarHBondContact O-N 3.03Å; P276-A280 VanDerWaalsContact O-N 3.16Å; T277-A280 PolarHBondContact O-N 2.86Å; A280-A284 WeakPolarHBondContact O-CB 3.46Å; A280-A284 PolarHBondContact O-N 3.01Å; A280-A284 VanDerWaalsContact O-N 3.08Å
281L98.8Very high97.9Very high65 Ų6548.4 Ų48.434%0.3430%0.296SS..Hα-helixtrans-63.8-42.6173.4-71.6164.4000111.6T277 N278 A284 W285 F296 K299 V300T277-L281 HydrophobicContact CG2-CD1 4Å; T277-L281 WeakPolarHBondContact O-CG 3.37Å; T277-L281 PolarHBondContact O-N 2.87Å; N278-L281 PolarHBondContact O-N 2.82Å; L281-A284 PolarHBondContact O-N 2.88Å; L281-W285 WeakPolarHBondContact O-CB 3.48Å; L281-W285 PolarHBondContact O-N 3.03Å; L281-F296 HydrophobicContact CB-CE2 3.97Å; L281-F296 HydrophobicContact CB-CZ 4.12Å; L281-K299 WeakPolarHBondContact CD1-O 3.39Å; L281-V300 HydrophobicContact CD1-CG1 4.18Å
282Y98.8Very high97.9Very high20 Ų2050 Ų508%0.07831%0.307CS..Hα-helixtrans-63.5-45.9177170.5-95.3000111.7H250 I251 N278 L279 A284 W285 S286 F296 I321 M352 L356H250-Y282 WeakPolarHBondContact CA-OH 3.27Å; I251-Y282 HydrophobicContact CD1-CD1 3.79Å; I251-Y282 HydrophobicContact CD1-CE1 3.7Å; I251-Y282 HydrophobicContact CD1-CG 4.46Å; I251-Y282 HydrophobicContact CG1-CD1 4.34Å; I251-Y282 HydrophobicContact CG1-CE1 3.95Å; I251-Y282 HydrophobicContact CG1-CE2 4.48Å; I251-Y282 PolarHBondContact N-OH 2.85Å; N278-Y282 VanDerWaalsContact O-CB 3.23Å; N278-Y282 WeakPolarHBondContact O-CB 3.19Å; N278-Y282 PolarHBondContact O-N 2.82Å; L279-Y282 PolarHBondContact O-N 3.43Å; Y282-A284 VanDerWaalsContact C-N 3.32Å; Y282-A284 PolarHBondContact O-N 2.96Å; Y282-W285 HydrophobicContact CD2-CE3 4.02Å; Y282-W285 HydrophobicContact CD2-CZ3 4.12Å; Y282-W285 HydrophobicContact CE2-CE3 4.17Å; Y282-W285 AromaticContact CE2-CZ3 3.86Å; Y282-W285 HydrophobicContact CE2-CZ3 3.86Å; Y282-W285 PolarHBondContact O-N 2.73Å; Y282-S286 VanDerWaalsContact O-CB 3.28Å; Y282-S286 WeakPolarHBondContact O-CB 3.16Å; Y282-S286 PolarHBondContact O-N 3.22Å; Y282-F296 HydrophobicContact CD2-CE1 4.38Å; Y282-I321 HydrophobicContact CD2-CD1 4.44Å; Y282-I321 HydrophobicContact CD2-CG1 4.17Å; Y282-I321 HydrophobicContact CD2-CG2 3.72Å; Y282-I321 HydrophobicContact CE2-CG2 4.12Å; Y282-I321 HydrophobicContact CG-CD1 4.12Å; Y282-I321 HydrophobicContact CG-CG1 4.13Å; Y282-I321 HydrophobicContact CG-CG2 4.47Å; Y282-M352 HydrophobicContact CD1-CE 4.45Å; Y282-M352 HydrophobicContact CD1-SD 3.6Å; Y282-M352 VanDerWaalsContact CD1-SD 3.6Å; Y282-M352 HydrophobicContact CE1-SD 3.73Å; Y282-L356 HydrophobicContact CE1-CD1 4.49Å
283E98.4Very high97.8Very high46 Ų4652.2 Ų52.222%0.21532%0.317CS..Hα-helixtrans-62.6-38.8177.3-170.9173.8168.400112L279 S287 M352 R355 L356L279-E283 WeakPolarHBondContact O-CB 3.43Å; L279-E283 PolarHBondContact O-N 3.08Å; E283-S287 PolarHBondContact O-N 2.91Å; E283-S287 PolarHBondContact O-OG 3.33Å; E283-M352 HydrophobicContact CB-CE 4.08Å; E283-M352 HydrophobicContact CB-CG 4.27Å; E283-M352 HydrophobicContact CB-SD 4.16Å; E283-M352 HydrophobicContact CG-CG 3.97Å; E283-R355 VanDerWaalsContact CD-NH2 3.28Å; E283-R355 IonicContact OE1-CZ 3.89Å; E283-R355 VanDerWaalsContact OE1-CZ 3.32Å; E283-R355 IonicContact OE1-NE 2.69Å; E283-R355 PolarHBondContact OE1-NE 2.9Å; E283-R355 IonicContact OE1-NH2 2.76Å; E283-R355 PolarHBondContact OE1-NH2 2.79Å; E283-R355 VanDerWaalsContact OE1-NH2 3.14Å; E283-R355 IonicContact OE2-CZ 3.24Å; E283-R355 IonicContact OE2-NE 2.79Å; E283-R355 IonicContact OE2-NH2 2.9Å; E283-R355 PolarHBondContact OE2-NH2 2.76Å; E283-L356 HydrophobicContact CG-CD2 4.1Å; E283-L356 HydrophobicContact CG-CG 4.41Å
284A98.3Very high97.8Very high63 Ų6350.6 Ų50.652%0.52131%0.314SS..Hα-helixtrans-70.9-32.2175.100000113.5A280 L281 Y282 S288A280-A284 WeakPolarHBondContact O-CB 3.46Å; A280-A284 PolarHBondContact O-N 3.01Å; A280-A284 VanDerWaalsContact O-N 3.08Å; L281-A284 PolarHBondContact O-N 2.88Å; Y282-A284 VanDerWaalsContact C-N 3.32Å; Y282-A284 PolarHBondContact O-N 2.96Å; A284-S288 PolarHBondContact O-N 2.99Å
285W98.5Very high97.8Very high14 Ų1450.3 Ų50.35%0.05331%0.311CS..Hα-helixtrans-75-45.2174.316783.9000111.9F249 L281 Y282 S287 S288 Q291 V294 F296F249-W285 HydrophobicContact CB-CH2 3.93Å; F249-W285 HydrophobicContact CB-CZ3 4.15Å; F249-W285 VanDerWaalsContact O-CH2 3.27Å; F249-W285 WeakPolarHBondContact O-CH2 3.28Å; F249-W285 WeakPolarHBondContact O-CZ3 3.39Å; L281-W285 WeakPolarHBondContact O-CB 3.48Å; L281-W285 PolarHBondContact O-N 3.03Å; Y282-W285 HydrophobicContact CD2-CE3 4.02Å; Y282-W285 HydrophobicContact CD2-CZ3 4.12Å; Y282-W285 HydrophobicContact CE2-CE3 4.17Å; Y282-W285 AromaticContact CE2-CZ3 3.86Å; Y282-W285 HydrophobicContact CE2-CZ3 3.86Å; Y282-W285 PolarHBondContact O-N 2.73Å; W285-S287 PolarHBondContact O-N 2.64Å; W285-S287 VanDerWaalsContact O-N 3.17Å; W285-S288 WeakPolarHBondContact O-CB 3.4Å; W285-S288 PolarHBondContact O-N 3.4Å; W285-Q291 HydrophobicContact CD2-CG 3.86Å; W285-Q291 VanDerWaalsContact CE2-CG 3.44Å; W285-Q291 HydrophobicContact CE3-CG 4.25Å; W285-Q291 HydrophobicContact CG-CG 4.44Å; W285-Q291 HydrophobicContact CH2-CG 3.96Å; W285-Q291 VanDerWaalsContact CH2-NE2 3.27Å; W285-Q291 HydrophobicContact CZ2-CG 3.52Å; W285-Q291 HydrophobicContact CZ3-CG 4.29Å; W285-Q291 VanDerWaalsContact CZ3-NE2 3.31Å; W285-Q291 PolarHBondContact NE1-O 3.47Å; W285-Q291 WeakPolarHBondContact O-CB 3.32Å; W285-V294 PolarHBondContact NE1-O 3.2Å; W285-F296 HydrophobicContact CB-CD2 3.69Å; W285-F296 HydrophobicContact CB-CE2 4.07Å; W285-F296 HydrophobicContact CD2-CB 3.87Å; W285-F296 AromaticContact CD2-CD2 3.86Å; W285-F296 HydrophobicContact CD2-CD2 3.86Å; W285-F296 HydrophobicContact CD2-CG 4.07Å; W285-F296 HydrophobicContact CE3-CB 4.3Å; W285-F296 HydrophobicContact CE3-CD2 4.22Å; W285-F296 HydrophobicContact CE3-CG 4.25Å; W285-F296 HydrophobicContact CG-CB 4.25Å; W285-F296 AromaticContact CG-CD2 3.63Å; W285-F296 HydrophobicContact CG-CD2 3.63Å; W285-F296 HydrophobicContact CG-CE2 4.47Å; W285-F296 HydrophobicContact CG-CG 4.28Å; W285-F296 HydrophobicContact CH2-CB 4.47Å; W285-F296 HydrophobicContact CZ2-CB 4.06Å
286S97.4Very high97.8Very high31 Ų3148.3 Ų48.322%0.21730%0.299CS..Hα-helixtrans-68.5-10.8179.8-175.40000113.9Y282Y282-S286 VanDerWaalsContact O-CB 3.28Å; Y282-S286 WeakPolarHBondContact O-CB 3.16Å; Y282-S286 PolarHBondContact O-N 3.22Å
287S96.6Very high97.7Very high81 Ų8144.1 Ų44.157%0.56627%0.273SS*.THydrogen-bonded Turntrans-109.36.5171.654.90000113.3E283 W285E283-S287 PolarHBondContact O-N 2.91Å; E283-S287 PolarHBondContact O-OG 3.33Å; W285-S287 PolarHBondContact O-N 2.64Å; W285-S287 VanDerWaalsContact O-N 3.17Å
288S96.9Very high97.7Very high42 Ų4244.6 Ų44.629%0.29427%0.272SS..  trans-81.9135.9-179.3-175.70000111.8A284 W285 N290 Q291A284-S288 PolarHBondContact O-N 2.99Å; W285-S288 WeakPolarHBondContact O-CB 3.4Å; W285-S288 PolarHBondContact O-N 3.4Å; S288-N290 PolarHBondContact O-N 3.19Å; S288-N290 VanDerWaalsContact O-N 3.15Å; S288-N290 PolarHBondContact OG-N 2.88Å; S288-Q291 WeakPolarHBondContact O-CB 3.37Å; S288-Q291 PolarHBondContact O-N 3.44Å
289P95.2Very high97.7Very high123 Ų12349.5 Ų49.580%0.79929%0.293SS*.THydrogen-bonded Turntrans-62.1-21.1172.126.8-34.3000113
290N94.3Very high97.7Very high75 Ų7550 Ų5040%0.40130%0.297SS..THydrogen-bonded Turntrans-10118.6177.3-60.481.3000112.6S288 S292 E293 V294S288-N290 PolarHBondContact O-N 3.19Å; S288-N290 VanDerWaalsContact O-N 3.15Å; S288-N290 PolarHBondContact OG-N 2.88Å; N290-S292 VanDerWaalsContact C-N 3.31Å; N290-S292 PolarHBondContact O-N 2.79Å; N290-E293 HydrophobicContact CB-CB 4.47Å; N290-E293 PolarHBondContact ND2-OE2 3.49Å; N290-E293 PolarHBondContact O-N 2.9Å; N290-V294 HydrophobicContact CB-CG2 4.48Å; N290-V294 WeakPolarHBondContact O-CG2 3.32Å; N290-V294 PolarHBondContact O-N 2.84Å
291Q96.9Very high97.6Very high62 Ų6254.5 Ų54.529%0.2931%0.312SS..G310 helixtrans-47.8-52.7-179.8-175.7-171.45.900111.9W285 S288 E293 V294W285-Q291 HydrophobicContact CD2-CG 3.86Å; W285-Q291 VanDerWaalsContact CE2-CG 3.44Å; W285-Q291 HydrophobicContact CE3-CG 4.25Å; W285-Q291 HydrophobicContact CG-CG 4.44Å; W285-Q291 HydrophobicContact CH2-CG 3.96Å; W285-Q291 VanDerWaalsContact CH2-NE2 3.27Å; W285-Q291 HydrophobicContact CZ2-CG 3.52Å; W285-Q291 HydrophobicContact CZ3-CG 4.29Å; W285-Q291 VanDerWaalsContact CZ3-NE2 3.31Å; W285-Q291 PolarHBondContact NE1-O 3.47Å; W285-Q291 WeakPolarHBondContact O-CB 3.32Å; S288-Q291 WeakPolarHBondContact O-CB 3.37Å; S288-Q291 PolarHBondContact O-N 3.44Å; Q291-E293 PolarHBondContact O-N 3.4Å; Q291-E293 VanDerWaalsContact O-N 3.11Å; Q291-V294 PolarHBondContact O-N 2.83Å
292S96.8Very high97.6Very high34 Ų3455.6 Ų55.624%0.23831%0.314CS..G310 helixtrans-63.7-15.7-178.465.40000114.8Q84 A85 N290Q84-S292 CarbonylContact C-O 3.59Å; Q84-S292 WeakPolarHBondContact CA-O 3.39Å; Q84-S292 PolarHBondContact NE2-OG 3.17Å; A85-S292 PolarHBondContact N-O 3.13Å; N290-S292 VanDerWaalsContact C-N 3.31Å; N290-S292 PolarHBondContact O-N 2.79Å
293E98Very high97.6Very high46 Ų4655 Ų5522%0.21531%0.312CS..G310 helixtrans-101.9-0.5-176.2-60.9-177.7152.200112.5R70 P82 Q84 N290 Q291R70-E293 IonicContact CZ-OE1 2.84Å; R70-E293 VanDerWaalsContact CZ-OE1 3.28Å; R70-E293 IonicContact NH1-OE1 2.87Å; R70-E293 PolarHBondContact NH1-OE1 3.32Å; R70-E293 IonicContact NH2-OE1 2.74Å; R70-E293 PolarHBondContact NH2-OE1 2.98Å; P82-E293 HydrophobicContact CB-CB 4.33Å; P82-E293 HydrophobicContact CG-CB 3.68Å; P82-E293 HydrophobicContact CG-CG 3.72Å; Q84-E293 HydrophobicContact CG-CG 3.94Å; N290-E293 HydrophobicContact CB-CB 4.47Å; N290-E293 PolarHBondContact ND2-OE2 3.49Å; N290-E293 PolarHBondContact O-N 2.9Å; Q291-E293 PolarHBondContact O-N 3.4Å; Q291-E293 VanDerWaalsContact O-N 3.11Å
294V97.8Very high97.6Very high42 Ų4254.1 Ų54.126%0.25531%0.307SS..SBendtrans-131.7107.4-170.8175.80000109.7W285 N290 Q291 F296 K299W285-V294 PolarHBondContact NE1-O 3.2Å; N290-V294 HydrophobicContact CB-CG2 4.48Å; N290-V294 WeakPolarHBondContact O-CG2 3.32Å; N290-V294 PolarHBondContact O-N 2.84Å; Q291-V294 PolarHBondContact O-N 2.83Å; V294-F296 PolarHBondContact O-N 3.11Å; V294-F296 VanDerWaalsContact O-N 3.15Å; V294-K299 HydrophobicContact CG1-CD 4.47Å; V294-K299 HydrophobicContact CG1-CG 4.45Å
295F98.4Very high97.6Very high11 Ų1154.3 Ų54.35%0.04830%0.297CS..  trans-64.7113.2174.5-177.5-102.1000110.6F90 L94 R97 F99 F249 G297 D298F90-F295 AromaticContact CE2-CD2 3.87Å; F90-F295 HydrophobicContact CE2-CD2 3.87Å; F90-F295 AromaticContact CZ-CD2 3.78Å; F90-F295 HydrophobicContact CZ-CD2 3.78Å; F90-F295 HydrophobicContact CZ-CE2 4.23Å; L94-F295 HydrophobicContact CD1-CE2 3.51Å; L94-F295 HydrophobicContact CD1-CZ 3.68Å; R97-F295 VanDerWaalsContact NH1-CD1 3.28Å; F99-F295 AromaticContact CE1-CE1 3.84Å; F99-F295 HydrophobicContact CE1-CE1 3.84Å; F99-F295 AromaticContact CE1-CZ 3.84Å; F99-F295 HydrophobicContact CE1-CZ 3.84Å; F99-F295 HydrophobicContact CZ-CE1 4.01Å; F99-F295 AromaticContact CZ-CZ 3.74Å; F99-F295 HydrophobicContact CZ-CZ 3.74Å; F249-F295 HydrophobicContact CE2-CD1 4.49Å; F249-F295 AromaticContact CE2-CD2 3.83Å; F249-F295 HydrophobicContact CE2-CD2 3.83Å; F249-F295 HydrophobicContact CE2-CE1 4.18Å; F249-F295 AromaticContact CE2-CE2 3.46Å; F249-F295 HydrophobicContact CE2-CE2 3.46Å; F249-F295 VanDerWaalsContact CE2-CE2 3.46Å; F249-F295 HydrophobicContact CE2-CG 4.34Å; F249-F295 AromaticContact CE2-CZ 3.65Å; F249-F295 HydrophobicContact CE2-CZ 3.65Å; F249-F295 HydrophobicContact CZ-CE1 4.18Å; F249-F295 AromaticContact CZ-CE2 3.91Å; F249-F295 HydrophobicContact CZ-CE2 3.91Å; F249-F295 AromaticContact CZ-CZ 3.64Å; F249-F295 HydrophobicContact CZ-CZ 3.64Å; F295-G297 PolarHBondContact O-N 3.43Å; F295-D298 WeakPolarHBondContact O-CB 3.42Å; F295-D298 PolarHBondContact O-N 2.99Å
296F98.7Very high97.6Very high0 Ų053.8 Ų53.80%030%0.295CS..G310 helixtrans-62.7-27.7-172.8-178.8-109.5000113.8F249 I272 L281 Y282 W285 V294 D298 K299 V300 I321F249-F296 HydrophobicContact CB-CB 4.08Å; F249-F296 HydrophobicContact CB-CD1 4.12Å; F249-F296 HydrophobicContact CB-CG 4.46Å; F249-F296 HydrophobicContact CD1-CD1 4.24Å; F249-F296 HydrophobicContact CD2-CB 3.62Å; F249-F296 HydrophobicContact CE2-CB 4.18Å; F249-F296 HydrophobicContact CG-CB 3.91Å; F249-F296 HydrophobicContact CG-CD1 4.07Å; F249-F296 HydrophobicContact CG-CG 4.48Å; I272-F296 HydrophobicContact CD1-CD1 3.59Å; I272-F296 HydrophobicContact CD1-CE1 3.72Å; I272-F296 HydrophobicContact CG2-CE1 4.42Å; L281-F296 HydrophobicContact CB-CE2 3.97Å; L281-F296 HydrophobicContact CB-CZ 4.12Å; Y282-F296 HydrophobicContact CD2-CE1 4.38Å; W285-F296 HydrophobicContact CB-CD2 3.69Å; W285-F296 HydrophobicContact CB-CE2 4.07Å; W285-F296 HydrophobicContact CD2-CB 3.87Å; W285-F296 AromaticContact CD2-CD2 3.86Å; W285-F296 HydrophobicContact CD2-CD2 3.86Å; W285-F296 HydrophobicContact CD2-CG 4.07Å; W285-F296 HydrophobicContact CE3-CB 4.3Å; W285-F296 HydrophobicContact CE3-CD2 4.22Å; W285-F296 HydrophobicContact CE3-CG 4.25Å; W285-F296 HydrophobicContact CG-CB 4.25Å; W285-F296 AromaticContact CG-CD2 3.63Å; W285-F296 HydrophobicContact CG-CD2 3.63Å; W285-F296 HydrophobicContact CG-CE2 4.47Å; W285-F296 HydrophobicContact CG-CG 4.28Å; W285-F296 HydrophobicContact CH2-CB 4.47Å; W285-F296 HydrophobicContact CZ2-CB 4.06Å; V294-F296 PolarHBondContact O-N 3.11Å; V294-F296 VanDerWaalsContact O-N 3.15Å; F296-D298 PolarHBondContact O-N 3.28Å; F296-D298 VanDerWaalsContact O-N 3.1Å; F296-K299 HydrophobicContact CD2-CB 4.1Å; F296-K299 HydrophobicContact CD2-CG 4.24Å; F296-K299 HydrophobicContact CE2-CB 4.09Å; F296-K299 WeakPolarHBondContact O-CB 3.36Å; F296-K299 PolarHBondContact O-N 2.7Å; F296-V300 HydrophobicContact CE1-CG1 3.97Å; F296-V300 HydrophobicContact CE2-CG1 4.43Å; F296-V300 HydrophobicContact CZ-CG1 3.72Å; F296-I321 HydrophobicContact CD1-CG2 4.04Å; F296-I321 HydrophobicContact CE1-CD1 4.24Å; F296-I321 HydrophobicContact CE1-CG2 3.84Å
297G98.2Very high97.7Very high8 Ų855.7 Ų55.78%0.08231%0.305CS..G310 helixtrans-58.5-21.317400000114.5F295 K299F295-G297 PolarHBondContact O-N 3.43Å; G297-K299 VanDerWaalsContact C-N 3.26Å; G297-K299 PolarHBondContact O-N 3.28Å
298D97.8Very high97.8Very high98 Ų9851.9 Ų51.952%0.52428%0.278SS..G310 helixtrans-82-0.7175.2-61.2-26.5000113.2R97 F295 F296R97-D298 IonicContact CZ-OD1 2.86Å; R97-D298 IonicContact CZ-OD2 3.83Å; R97-D298 VanDerWaalsContact CZ-OD2 3.31Å; R97-D298 IonicContact NH1-OD1 3.79Å; R97-D298 PolarHBondContact NH1-OD1 3.28Å; R97-D298 IonicContact NH1-OD2 2.79Å; R97-D298 PolarHBondContact NH1-OD2 3.07Å; R97-D298 IonicContact NH2-OD2 3.02Å; R97-D298 PolarHBondContact NH2-OD2 3.17Å; F295-D298 WeakPolarHBondContact O-CB 3.42Å; F295-D298 PolarHBondContact O-N 2.99Å; F296-D298 PolarHBondContact O-N 3.28Å; F296-D298 VanDerWaalsContact O-N 3.1Å
299K98.1Very high97.8Very high112 Ų11253 Ų5349%0.48728%0.283SS..G310 helixtrans-102.6-6.3-178.8-59.4-58.4-175.8-1730114.2L281 V294 F296 G297L281-K299 WeakPolarHBondContact CD1-O 3.39Å; V294-K299 HydrophobicContact CG1-CD 4.47Å; V294-K299 HydrophobicContact CG1-CG 4.45Å; F296-K299 HydrophobicContact CD2-CB 4.1Å; F296-K299 HydrophobicContact CD2-CG 4.24Å; F296-K299 HydrophobicContact CE2-CB 4.09Å; F296-K299 WeakPolarHBondContact O-CB 3.36Å; F296-K299 PolarHBondContact O-N 2.7Å; G297-K299 VanDerWaalsContact C-N 3.26Å; G297-K299 PolarHBondContact O-N 3.28Å
300V98.6Very high97.9Very high17 Ų1751.9 Ų51.910%0.10327%0.268CS..SBendtrans-127.5152.2-171.3-63.90000112.1I272 N278 L281 F296 K302 C303I272-V300 HydrophobicContact CD1-CG2 3.74Å; I272-V300 HydrophobicContact CG1-CG2 3.96Å; I272-V300 HydrophobicContact CG2-CB 4.37Å; I272-V300 HydrophobicContact CG2-CG1 4.14Å; I272-V300 HydrophobicContact CG2-CG2 4.02Å; N278-V300 HydrophobicContact CB-CG1 4.28Å; L281-V300 HydrophobicContact CD1-CG1 4.18Å; F296-V300 HydrophobicContact CE1-CG1 3.97Å; F296-V300 HydrophobicContact CE2-CG1 4.43Å; F296-V300 HydrophobicContact CZ-CG1 3.72Å; V300-K302 PolarHBondContact O-N 2.7Å; V300-C303 HydrophobicContact CG2-CB 4.28Å
301D97.4Very high98.1Very high155 Ų15549.7 Ų49.783%0.82926%0.263SS*.SBendtrans-57.9-34-175.1-49.4-34.8000113.9
302K98.1Very high98.1Very high88 Ų8847.3 Ų47.338%0.38325%0.253SS..  trans-148.7128.9176.5-73.5-166.7170.9-172.10111.7P100 E104 V300 Y304P100-K302 HydrophobicContact CG-CB 4.45Å; P100-K302 HydrophobicContact CG-CG 4.47Å; E104-K302 IonicContact OE2-NZ 2.6Å; E104-K302 PolarHBondContact OE2-NZ 2.81Å; V300-K302 PolarHBondContact O-N 2.7Å; K302-Y304 HydrophobicContact CB-CD2 4.42Å; K302-Y304 HydrophobicContact CB-CE1 4.43Å; K302-Y304 HydrophobicContact CB-CE2 3.81Å; K302-Y304 HydrophobicContact CD-CE1 3.8Å; K302-Y304 HydrophobicContact CD-CE2 4.39Å; K302-Y304 WeakPolarHBondContact CD-OH 3.17Å
303C98.8Very high98.2Very high6 Ų645.7 Ų45.74%0.04124%0.241CC..  trans-121.8112168.4174.70000107.9F99 P100 I272 V300F99-C303 HydrophobicContact CD1-CB 4.45Å; F99-C303 WeakPolarHBondContact CD1-O 3.15Å; P100-C303 WeakPolarHBondContact CD-O 3.39Å; P100-C303 WeakPolarHBondContact CG-O 3.31Å; I272-C303 HydrophobicContact CD1-CB 4.15Å; I272-C303 HydrophobicContact CG1-CB 3.84Å; V300-C303 HydrophobicContact CG2-CB 4.28Å
304Y98.8Very high98.3Very high28 Ų2843.5 Ų43.511%0.1123%0.231CC..EExtended strand (participates in β ladder)trans-92.9133.9-169.2-58.7-93.1000112.1P100 S101 E104 I105 Y270 L271 K302P100-Y304 HydrophobicContact CB-CD1 3.98Å; P100-Y304 HydrophobicContact CB-CE1 4.29Å; P100-Y304 HydrophobicContact CG-CD1 4.02Å; P100-Y304 HydrophobicContact CG-CE1 4.43Å; P100-Y304 HydrophobicContact CG-CG 4.46Å; P100-Y304 WeakPolarHBondContact O-CA 3.02Å; S101-Y304 WeakPolarHBondContact O-CD1 3.47Å; E104-Y304 HydrophobicContact CB-CD1 4.35Å; E104-Y304 HydrophobicContact CB-CE1 3.86Å; E104-Y304 HydrophobicContact CG-CE1 4.5Å; I105-Y304 HydrophobicContact CD1-CD1 4.32Å; I105-Y304 HydrophobicContact CD1-CD2 3.52Å; I105-Y304 HydrophobicContact CD1-CE2 3.98Å; I105-Y304 HydrophobicContact CD1-CG 3.7Å; I105-Y304 HydrophobicContact CG1-CD1 4.18Å; I105-Y304 HydrophobicContact CG1-CD2 4.23Å; I105-Y304 HydrophobicContact CG1-CE1 4.43Å; I105-Y304 HydrophobicContact CG1-CE2 4.48Å; I105-Y304 HydrophobicContact CG1-CG 4.06Å; I105-Y304 HydrophobicContact CG2-CD1 4.39Å; I105-Y304 HydrophobicContact CG2-CD2 4.43Å; I105-Y304 HydrophobicContact CG2-CE1 3.8Å; I105-Y304 HydrophobicContact CG2-CE2 3.86Å; I105-Y304 VanDerWaalsContact CG2-CZ 3.48Å; Y270-Y304 CarbonylContact C-O 3.54Å; Y270-Y304 WeakPolarHBondContact CA-O 3.47Å; L271-Y304 PolarHBondContact N-O 3.26Å; L271-Y304 WeakPolarHBondContact O-CD2 3.36Å; L271-Y304 PolarHBondContact O-N 3.33Å; K302-Y304 HydrophobicContact CB-CD2 4.42Å; K302-Y304 HydrophobicContact CB-CE1 4.43Å; K302-Y304 HydrophobicContact CB-CE2 3.81Å; K302-Y304 HydrophobicContact CD-CE1 3.8Å; K302-Y304 HydrophobicContact CD-CE2 4.39Å; K302-Y304 WeakPolarHBondContact CD-OH 3.17Å
305K98.8Very high98.3Very high68 Ų6841.6 Ų41.630%0.29622%0.219SC..EExtended strand (participates in β ladder)trans-86.5116.6174.1-176.9178.2179.9179.70110.1F99 P100 A102 I268 Y270F99-K305 HydrophobicContact CB-CB 3.7Å; F99-K305 HydrophobicContact CD2-CB 4.41Å; F99-K305 HydrophobicContact CD2-CD 4.31Å; F99-K305 HydrophobicContact CG-CB 4.19Å; P100-K305 PolarHBondContact O-N 3.28Å; A102-K305 WeakPolarHBondContact CB-O 3.07Å; A102-K305 PolarHBondContact N-O 2.82Å; I268-K305 HydrophobicContact CG2-CD 4.35Å; I268-K305 HydrophobicContact CG2-CG 3.73Å; Y270-K305 HydrophobicContact CE1-CG 4.36Å
306C98.6Very high98.3Very high3 Ų341.1 Ų41.12%0.0222%0.217CC..EExtended strand (participates in β ladder)trans-114.3114.1176.4178.20000109.1A102 I268 F269 L271A102-C306 HydrophobicContact CB-CB 3.5Å; A102-C306 VanDerWaalsContact CB-CB 3.5Å; I268-C306 CarbonylContact C-O 3.59Å; I268-C306 WeakPolarHBondContact CA-O 3.46Å; F269-C306 HydrophobicContact CB-CB 4.17Å; F269-C306 PolarHBondContact N-O 2.92Å; F269-C306 PolarHBondContact O-N 3.31Å; L271-C306 HydrophobicContact CD1-CB 3.62Å; L271-C306 HydrophobicContact CG-CB 4.22Å
307V98.5Very high98.3Very high71 Ų7141.3 Ų41.343%0.4322%0.218SC..EExtended strand (participates in β ladder)trans-90.3128.1173.8-1740000108.6E266 I268 T309E266-V307 HydrophobicContact CG-CG1 3.76Å; I268-V307 HydrophobicContact CG1-CG2 4.36Å; V307-T309 HydrophobicContact CG1-CG2 4.19Å
308V98.4Very high98.4Very high0 Ų041.1 Ų41.10%022%0.216CC..EExtended strand (participates in β ladder)trans-118.1101.4177.8-173.20000107.5V262 K267 F269 T312 L314V262-V308 HydrophobicContact CG2-CB 4.35Å; V262-V308 HydrophobicContact CG2-CG1 3.75Å; K267-V308 PolarHBondContact N-O 3.05Å; K267-V308 PolarHBondContact O-N 3.36Å; F269-V308 HydrophobicContact CD2-CB 4.46Å; F269-V308 HydrophobicContact CD2-CG2 3.7Å; F269-V308 HydrophobicContact CE2-CB 4.39Å; F269-V308 HydrophobicContact CE2-CG2 3.92Å; V308-T312 HydrophobicContact CG1-CG2 4.03Å; V308-L314 HydrophobicContact CG2-CB 4.29Å; V308-L314 HydrophobicContact CG2-CD2 3.94Å
309T97.8Very high98.4Very high65 Ų6536.6 Ų36.640%0.39919%0.192SC..EExtended strand (participates in β ladder)trans-84.8164.5178.354.50000111.5E266 V307 G311 T312E266-T309 HydrophobicContact CG-CG2 4.42Å; V307-T309 HydrophobicContact CG1-CG2 4.19Å; T309-G311 PolarHBondContact O-N 2.7Å; T309-T312 WeakPolarHBondContact O-CB 3.47Å; T309-T312 PolarHBondContact O-N 3.18Å; T309-T312 PolarHBondContact O-OG1 3.28Å; T309-T312 PolarHBondContact OG1-OG1 3.35Å
310Q97.9Very high98.4Very high101 Ų10131.5 Ų31.547%0.47217%0.17SC..THydrogen-bonded Turntrans-40.4134.5169.1176161.917.300113.8V262 L263 G265 T312V262-Q310 WeakPolarHBondContact O-CA 3.41Å; L263-Q310 VanDerWaalsContact O-CG 3.3Å; L263-Q310 WeakPolarHBondContact O-CG 3.26Å; L263-Q310 PolarHBondContact O-NE2 3.32Å; G265-Q310 PolarHBondContact O-N 2.88Å; Q310-T312 PolarHBondContact O-N 3.26Å
311G97.3Very high98.4Very high29 Ų2930.7 Ų30.730%0.29917%0.165SC..THydrogen-bonded Turntrans80.8-16.9-177.500000114.8H261 V262 T309H261-G311 PolarHBondContact CE1-O 2.97Å; V262-G311 PolarHBondContact O-N 2.88Å; T309-G311 PolarHBondContact O-N 2.7Å
312T98.2Very high98.5Very high12 Ų1223.7 Ų23.77%0.07413%0.127CC..  trans-78.1136.5-179.8-55.10000111.2V129 V262 V308 T309 Q310V129-T312 HydrophobicContact CG2-CG2 3.45Å; V129-T312 VanDerWaalsContact CG2-CG2 3.45Å; V262-T312 PolarHBondContact N-O 3.3Å; V308-T312 HydrophobicContact CG1-CG2 4.03Å; T309-T312 WeakPolarHBondContact O-CB 3.47Å; T309-T312 PolarHBondContact O-N 3.18Å; T309-T312 PolarHBondContact O-OG1 3.28Å; T309-T312 PolarHBondContact OG1-OG1 3.35Å; Q310-T312 PolarHBondContact O-N 3.26Å
313T98.7Very high98.5Very high0 Ų019.5 Ų19.50%011%0.109CC..EExtended strand (participates in β ladder)trans-107.7131.5169.6-41.10000110.3I130 L136 L138 Y260 H261 L315I130-T313 PolarHBondContact N-O 2.68Å; I130-T313 PolarHBondContact O-N 2.96Å; L136-T313 HydrophobicContact CD2-CG2 3.94Å; L138-T313 HydrophobicContact CD2-CG2 4.49Å; Y260-T313 CarbonylContact O-C 3.58Å; Y260-T313 VanDerWaalsContact O-CA 3.28Å; Y260-T313 WeakPolarHBondContact O-CA 3.14Å; Y260-T313 WeakPolarHBondContact O-CG2 3.46Å; H261-T313 HydrophobicContact CB-CG2 4.26Å; H261-T313 PolarHBondContact ND1-OG1 3.28Å; T313-L315 HydrophobicContact CG2-CD2 4.45Å
314L98.8Very high98.5Very high0 Ų019.9 Ų19.90%011%0.111CC..EExtended strand (participates in β ladder)trans-113.2135172.8-178.166000109.3L106 P127 V129 Y260 F269 V308 I316L106-L314 HydrophobicContact CD2-CD1 3.97Å; P127-L314 HydrophobicContact CB-CD1 4.01Å; V129-L314 HydrophobicContact CB-CD1 4.4Å; Y260-L314 PolarHBondContact N-O 3.38Å; Y260-L314 PolarHBondContact O-N 3.16Å; F269-L314 HydrophobicContact CD1-CD2 4.31Å; F269-L314 HydrophobicContact CD2-CD2 4.09Å; F269-L314 HydrophobicContact CE1-CD2 4.48Å; F269-L314 HydrophobicContact CE2-CD2 4.26Å; F269-L314 HydrophobicContact CG-CD2 4.12Å; F269-L314 HydrophobicContact CZ-CD2 4.46Å; V308-L314 HydrophobicContact CG2-CB 4.29Å; V308-L314 HydrophobicContact CG2-CD2 3.94Å; L314-I316 HydrophobicContact CD2-CD1 3.89Å; L314-I316 HydrophobicContact CD2-CG1 3.81Å; L314-I316 HydrophobicContact CG-CD1 4.49Å; L314-I316 HydrophobicContact CG-CG1 3.89Å
315L98.8Very high98.5Very high1 Ų118.6 Ų18.61%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-113.9115.6169.6-52.4-179.8000108.6V114 F124 P127 V128 I130 V212 V258 W259 T313V114-L315 HydrophobicContact CG1-CD1 3.67Å; F124-L315 HydrophobicContact CE2-CB 4.17Å; F124-L315 HydrophobicContact CZ-CB 3.82Å; P127-L315 CarbonylContact C-O 3.55Å; P127-L315 VanDerWaalsContact CA-O 3.23Å; P127-L315 WeakPolarHBondContact CA-O 3.37Å; V128-L315 HydrophobicContact CB-CB 4.23Å; V128-L315 HydrophobicContact CB-CD1 4.46Å; V128-L315 PolarHBondContact N-O 2.81Å; V128-L315 PolarHBondContact O-N 2.72Å; I130-L315 HydrophobicContact CD1-CD1 4.04Å; I130-L315 HydrophobicContact CD1-CG 3.92Å; V212-L315 HydrophobicContact CG1-CD1 4.08Å; V258-L315 WeakPolarHBondContact O-CA 3.36Å; W259-L315 HydrophobicContact CB-CD2 3.39Å; T313-L315 HydrophobicContact CG2-CD2 4.45Å
316I98.8Very high98.5Very high2 Ų215.4 Ų15.41%0.019%0.092CC..EExtended strand (participates in β ladder)trans-102.1124.3179.1-51.6178.5000108.6S257 V258 F269 L271 L314 W320S257-I316 CarbonylContact C-O 3.57Å; S257-I316 WeakPolarHBondContact CA-O 3.46Å; V258-I316 HydrophobicContact CG1-CB 3.73Å; V258-I316 HydrophobicContact CG1-CD1 4.11Å; V258-I316 HydrophobicContact CG1-CG1 4.15Å; V258-I316 PolarHBondContact N-O 2.82Å; V258-I316 PolarHBondContact O-N 2.92Å; F269-I316 HydrophobicContact CD1-CD1 3.81Å; F269-I316 HydrophobicContact CE1-CD1 3.78Å; L271-I316 HydrophobicContact CD2-CD1 4.15Å; L314-I316 HydrophobicContact CD2-CD1 3.89Å; L314-I316 HydrophobicContact CD2-CG1 3.81Å; L314-I316 HydrophobicContact CG-CD1 4.49Å; L314-I316 HydrophobicContact CG-CG1 3.89Å; I316-W320 HydrophobicContact CG2-CB 3.66Å; I316-W320 HydrophobicContact CG2-CG 4.29Å
317P98.7Very high98.5Very high3 Ų316.1 Ų16.12%0.01910%0.097CC..  trans-81.3155.4179.624-24.4000113.5F124 G319 W320F124-P317 HydrophobicContact CD1-CB 3.91Å; F124-P317 HydrophobicContact CD2-CB 3.73Å; F124-P317 HydrophobicContact CD2-CG 4.01Å; F124-P317 HydrophobicContact CE1-CB 3.88Å; F124-P317 HydrophobicContact CE2-CB 3.68Å; F124-P317 HydrophobicContact CE2-CG 3.83Å; F124-P317 HydrophobicContact CG-CB 3.82Å; F124-P317 HydrophobicContact CZ-CB 3.75Å; F124-P317 HydrophobicContact CZ-CG 4.26Å; F124-P317 VanDerWaalsContact O-CB 3.24Å; F124-P317 WeakPolarHBondContact O-CB 3.44Å; P317-G319 PolarHBondContact O-N 3.45Å; P317-W320 VanDerWaalsContact O-CD1 3.23Å; P317-W320 PolarHBondContact O-N 3.48Å
318T98.8Very high98.4Very high5 Ų517.8 Ų17.83%0.03110%0.1CC..THydrogen-bonded Turntrans-16.1113.7169-57.40000115.6G255 S257 W320 H339 N342 M345 Q346G255-T318 WeakPolarHBondContact O-CG2 3.34Å; S257-T318 PolarHBondContact OG-N 3.28Å; S257-T318 PolarHBondContact OG-OG1 3.31Å; S257-T318 VanDerWaalsContact OG-OG1 3.08Å; T318-W320 VanDerWaalsContact C-N 3.33Å; T318-W320 PolarHBondContact O-N 3.42Å; T318-H339 PolarHBondContact OG1-CE1 2.77Å; T318-N342 HydrophobicContact CG2-CB 3.93Å; T318-M345 HydrophobicContact CG2-CB 3.6Å; T318-M345 HydrophobicContact CG2-CG 3.72Å; T318-Q346 HydrophobicContact CG2-CG 3.7Å
319G98.6Very high98.4Very high2 Ų220.4 Ų20.42%0.02111%0.114CC..THydrogen-bonded Turntrans82.1-2.1164.900000116P274 P317 I321P274-G319 WeakPolarHBondContact CB-O 3.5Å; P317-G319 PolarHBondContact O-N 3.45Å; G319-I321 PolarHBondContact O-N 3.09Å
320W98.9Very high98.5Very high5 Ų517.3 Ų17.32%0.01910%0.095CC..  trans-60.9124.9176.6-87.269.4000111.3I105 N125 Y126 P127 L271 K273 P274 I316 P317 T318 H322I105-W320 HydrophobicContact CD1-CH2 3.6Å; I105-W320 HydrophobicContact CD1-CZ3 3.57Å; N125-W320 PolarHBondContact O-NE1 3.08Å; Y126-W320 HydrophobicContact CD1-CH2 4.09Å; Y126-W320 AromaticContact CD1-CZ2 3.75Å; Y126-W320 HydrophobicContact CD1-CZ2 3.75Å; Y126-W320 HydrophobicContact CE1-CZ2 4.38Å; Y126-W320 HydrophobicContact CG-CZ2 4.46Å; P127-W320 HydrophobicContact CG-CD2 4.39Å; P127-W320 HydrophobicContact CG-CE3 4.25Å; P127-W320 HydrophobicContact CG-CH2 4.3Å; P127-W320 HydrophobicContact CG-CZ2 4.44Å; P127-W320 HydrophobicContact CG-CZ3 4.2Å; L271-W320 HydrophobicContact CB-CE3 4.17Å; L271-W320 HydrophobicContact CB-CZ3 4.14Å; K273-W320 HydrophobicContact CB-CH2 3.75Å; K273-W320 HydrophobicContact CB-CZ2 4.02Å; K273-W320 HydrophobicContact CB-CZ3 4.04Å; K273-W320 HydrophobicContact CD-CZ2 4.46Å; K273-W320 HydrophobicContact CG-CH2 4.04Å; K273-W320 HydrophobicContact CG-CZ2 3.83Å; P274-W320 VanDerWaalsContact CD-CD1 3.44Å; P274-W320 HydrophobicContact CG-CG 4.14Å; I316-W320 HydrophobicContact CG2-CB 3.66Å; I316-W320 HydrophobicContact CG2-CG 4.29Å; P317-W320 VanDerWaalsContact O-CD1 3.23Å; P317-W320 PolarHBondContact O-N 3.48Å; T318-W320 VanDerWaalsContact C-N 3.33Å; T318-W320 PolarHBondContact O-N 3.42Å; W320-H322 PolarHBondContact O-ND1 3.19Å
321I98.9Very high98.5Very high0 Ų012.5 Ų12.50%07%0.073CC..EExtended strand (participates in β ladder)trans-77.7128.4178.6-59.9150.2000107.3F249 H250 I251 I272 N278 L279 Y282 F296 G319F249-I321 HydrophobicContact CB-CG2 4.19Å; F249-I321 HydrophobicContact CD1-CG2 4.27Å; H250-I321 CarbonylContact O-C 3.54Å; H250-I321 WeakPolarHBondContact O-CA 3.26Å; I251-I321 HydrophobicContact CD1-CG1 3.71Å; I251-I321 HydrophobicContact CG1-CB 4.3Å; I251-I321 HydrophobicContact CG1-CG1 3.54Å; I272-I321 HydrophobicContact CB-CB 4.06Å; I272-I321 HydrophobicContact CB-CG2 4.43Å; I272-I321 HydrophobicContact CD1-CG2 4.47Å; I272-I321 HydrophobicContact CG2-CB 4.34Å; I272-I321 HydrophobicContact CG2-CD1 4.24Å; I272-I321 PolarHBondContact N-O 3.47Å; I272-I321 PolarHBondContact O-N 3.25Å; I272-I321 VanDerWaalsContact O-N 3.13Å; N278-I321 HydrophobicContact CB-CD1 4.18Å; L279-I321 HydrophobicContact CD2-CD1 4.32Å; Y282-I321 HydrophobicContact CD2-CD1 4.44Å; Y282-I321 HydrophobicContact CD2-CG1 4.17Å; Y282-I321 HydrophobicContact CD2-CG2 3.72Å; Y282-I321 HydrophobicContact CE2-CG2 4.12Å; Y282-I321 HydrophobicContact CG-CD1 4.12Å; Y282-I321 HydrophobicContact CG-CG1 4.13Å; Y282-I321 HydrophobicContact CG-CG2 4.47Å; F296-I321 HydrophobicContact CD1-CG2 4.04Å; F296-I321 HydrophobicContact CE1-CD1 4.24Å; F296-I321 HydrophobicContact CE1-CG2 3.84Å; G319-I321 PolarHBondContact O-N 3.09Å
322H98.9Very high98.6Very high8 Ų811.1 Ų11.14%0.0376%0.059CC..EExtended strand (participates in β ladder)trans-148.9144-179.771.2-76.6000113.9F249 H250 D252 F269 Y270 L271 W320F249-H322 WeakPolarHBondContact CA-O 3.47Å; H250-H322 AromaticContact CE1-CE1 3.92Å; H250-H322 AromaticContact CE1-NE2 3.62Å; H250-H322 PolarHBondContact N-O 3.3Å; H250-H322 PolarHBondContact ND1-O 2.97Å; H250-H322 VanDerWaalsContact ND1-O 3.15Å; H250-H322 AromaticContact NE2-CE1 3.57Å; H250-H322 AromaticContact NE2-NE2 3.56Å; H250-H322 PolarHBondContact O-N 2.69Å; D252-H322 IonicContact OD2-CE1 3.17Å; D252-H322 PolarHBondContact OD2-CE1 3.38Å; D252-H322 VanDerWaalsContact OD2-CE1 3.28Å; F269-H322 AromaticContact CD1-CD2 3.7Å; F269-H322 AromaticContact CE1-CD2 3.91Å; Y270-H322 VanDerWaalsContact O-CA 3.28Å; Y270-H322 WeakPolarHBondContact O-CA 3.45Å; L271-H322 HydrophobicContact CD2-CB 3.79Å; W320-H322 PolarHBondContact O-ND1 3.19Å
323G98.7Very high98.6Very high0 Ų010.5 Ų10.50%06%0.055CC..EExtended strand (participates in β ladder)trans-112.4158.1165.400000110.3T247 Y270T247-G323 WeakPolarHBondContact O-CA 3.39Å; Y270-G323 PolarHBondContact N-O 2.93Å; Y270-G323 PolarHBondContact O-N 3.13Å
324V98.8Very high98.6Very high14 Ų1410.6 Ų10.69%0.0856%0.056CC..EExtended strand (participates in β ladder)trans-134.5125.9-173.3-170.30000111.6Y246 T247 K267 I268 F269Y246-V324 WeakPolarHBondContact CA-O 3.29Å; Y246-V324 VanDerWaalsContact CD2-O 3.3Å; Y246-V324 WeakPolarHBondContact CD2-O 3.14Å; T247-V324 PolarHBondContact N-O 3.14Å; T247-V324 PolarHBondContact O-N 3.19Å; K267-V324 HydrophobicContact CB-CG1 4.4Å; K267-V324 HydrophobicContact CD-CG1 4.09Å; I268-V324 WeakPolarHBondContact O-CA 3.39Å; F269-V324 HydrophobicContact CD1-CG2 3.69Å; F269-V324 HydrophobicContact CE1-CG2 3.67Å; F269-V324 HydrophobicContact CE2-CG1 4.43Å; F269-V324 HydrophobicContact CG-CG2 4.33Å; F269-V324 HydrophobicContact CZ-CG1 4.4Å; F269-V324 HydrophobicContact CZ-CG2 4.31Å
325L98.9Very high98.6Very high1 Ų110.7 Ų10.71%0.0056%0.056CC..EExtended strand (participates in β ladder)trans-106.5143.8168.7175.164.3000110.5V91 L94 Q95 S245 Y246 I268 Y270V91-L325 HydrophobicContact CG1-CD1 3.77Å; L94-L325 HydrophobicContact CD2-CB 4.38Å; L94-L325 HydrophobicContact CD2-CD2 4.32Å; L94-L325 HydrophobicContact CG-CD2 4.41Å; Q95-L325 HydrophobicContact CG-CD2 3.86Å; S245-L325 CarbonylContact O-C 3.53Å; Y246-L325 HydrophobicContact CD2-CB 4.3Å; I268-L325 HydrophobicContact CB-CB 4.38Å; I268-L325 PolarHBondContact N-O 3.35Å; I268-L325 PolarHBondContact O-N 3.33Å; Y270-L325 HydrophobicContact CE2-CB 3.81Å
326T98.8Very high98.6Very high1 Ų111.1 Ų11.11%0.0066%0.059CC..EExtended strand (participates in β ladder)trans-10796.6177.1-49.50000108.3V242 K243 D244 S245 K267 Q328 C330V242-T326 WeakPolarHBondContact O-CG2 3.28Å; K243-T326 CarbonylContact C-O 3.57Å; D244-T326 PolarHBondContact N-O 3.17Å; S245-T326 VanDerWaalsContact O-CB 3.26Å; S245-T326 WeakPolarHBondContact O-CB 3.41Å; S245-T326 PolarHBondContact O-N 2.91Å; S245-T326 PolarHBondContact O-OG1 2.91Å; K267-T326 HydrophobicContact CD-CG2 4.15Å; K267-T326 PolarHBondContact NZ-OG1 3.24Å; T326-Q328 VanDerWaalsContact C-N 3.33Å; T326-Q328 WeakPolarHBondContact CG2-O 3.46Å; T326-C330 HydrophobicContact CG2-CB 3.84Å
327S97.6Very high98.6Very high19 Ų1911.3 Ų11.313%0.1336%0.06CC..SBendtrans-73.8-25.1-172.3460000113.6K243 E266K243-S327 WeakPolarHBondContact CD-O 3.49Å; K243-S327 WeakPolarHBondContact CG-O 3.48Å; E266-S327 WeakPolarHBondContact CB-OG 3.45Å; E266-S327 VanDerWaalsContact CD-OG 3.26Å; E266-S327 WeakPolarHBondContact CG-OG 3.4Å; E266-S327 WeakPolarHBondContact OE1-CB 3.36Å; E266-S327 PolarHBondContact OE1-OG 2.98Å
328Q97.4Very high98.6Very high106 Ų10611.2 Ų11.250%0.4956%0.059SC..SBendtrans-139.7158.4178.3-56.8-173.664.500109T326 C330T326-Q328 VanDerWaalsContact C-N 3.33Å; T326-Q328 WeakPolarHBondContact CG2-O 3.46Å; Q328-C330 WeakPolarHBondContact O-CB 3.33Å; Q328-C330 PolarHBondContact O-N 3.21Å
329D98.4Very high98.6Very high54 Ų5411 Ų1129%0.2896%0.057SC..  trans-52.3125.9171.6-76.8-5000109.9F182 R187 V242 K243 G265F182-D329 HydrophobicContact CZ-CB 4.19Å; R187-D329 IonicContact CZ-OD1 2.78Å; R187-D329 IonicContact CZ-OD2 2.81Å; R187-D329 VanDerWaalsContact CZ-OD2 3.26Å; R187-D329 IonicContact NH1-OD1 2.87Å; R187-D329 PolarHBondContact NH1-OD1 2.95Å; R187-D329 IonicContact NH1-OD2 2.77Å; R187-D329 PolarHBondContact NH1-OD2 3.41Å; R187-D329 IonicContact NH2-OD1 2.66Å; R187-D329 IonicContact NH2-OD2 2.64Å; R187-D329 PolarHBondContact NH2-OD2 3.25Å; V242-D329 VanDerWaalsContact CA-OD1 3.29Å; V242-D329 WeakPolarHBondContact CA-OD1 3.37Å; K243-D329 PolarHBondContact N-OD1 2.91Å; G265-D329 WeakPolarHBondContact CA-O 3.29Å
330C98.7Very high98.6Very high0 Ų012.2 Ų12.20%06%0.064CC..EExtended strand (participates in β ladder)trans-143.6135.9-164.41790000112.5G241 W264 K267 T326 Q328G241-C330 PolarHBondContact N-O 3.28Å; G241-C330 PolarHBondContact O-N 2.81Å; W264-C330 WeakPolarHBondContact O-CA 3.16Å; W264-C330 PolarHBondContact O-SG 2.91Å; K267-C330 WeakPolarHBondContact CE-SG 3.37Å; T326-C330 HydrophobicContact CG2-CB 3.84Å; Q328-C330 WeakPolarHBondContact O-CB 3.33Å; Q328-C330 PolarHBondContact O-N 3.21Å
331M98.8Very high98.5Very high0 Ų012.7 Ų12.70%07%0.067CC..EExtended strand (participates in β ladder)trans-118.4133.7164.5-172.416774.500110.7F145 V147 V150 L239 M240 L263 W264F145-M331 HydrophobicContact CD1-CE 3.71Å; F145-M331 HydrophobicContact CE1-CE 4.37Å; F145-M331 WeakPolarHBondContact O-CE 3.19Å; V147-M331 HydrophobicContact CG1-SD 4.4Å; V150-M331 HydrophobicContact CG2-CE 4.41Å; V150-M331 HydrophobicContact CG2-SD 3.68Å; L239-M331 VanDerWaalsContact O-CA 3.29Å; L239-M331 WeakPolarHBondContact O-CA 3.4Å; M240-M331 HydrophobicContact CG-CB 4.32Å; M240-M331 HydrophobicContact CG-CG 3.79Å; M240-M331 HydrophobicContact CG-SD 3.84Å; M240-M331 HydrophobicContact SD-SD 3.89Å; L263-M331 HydrophobicContact CD2-CE 3.7Å; L263-M331 PolarHBondContact N-O 2.77Å; W264-M331 HydrophobicContact CD2-CB 3.98Å; W264-M331 HydrophobicContact CE3-CB 4.22Å; W264-M331 HydrophobicContact CH2-CB 3.62Å; W264-M331 HydrophobicContact CZ2-CB 3.34Å; W264-M331 HydrophobicContact CZ2-CE 4.01Å; W264-M331 HydrophobicContact CZ2-CG 4.32Å; W264-M331 HydrophobicContact CZ2-SD 4.13Å; W264-M331 HydrophobicContact CZ3-CB 4.06Å; W264-M331 PolarHBondContact N-O 2.91Å; W264-M331 PolarHBondContact O-N 2.81Å; W264-M331 VanDerWaalsContact O-N 3.13Å
332A98.8Very high98.5Very high0 Ų014.8 Ų14.80%08%0.078CC..EExtended strand (participates in β ladder)trans-136.7157.9-178.200000111L239 Y260 H261 V262L239-A332 HydrophobicContact CB-CB 4.44Å; L239-A332 PolarHBondContact N-O 3.47Å; L239-A332 PolarHBondContact O-N 2.98Å; Y260-A332 HydrophobicContact CD1-CB 4.21Å; Y260-A332 HydrophobicContact CE1-CB 3.39Å; H261-A332 CarbonylContact O-C 3.56Å; H261-A332 WeakPolarHBondContact O-CA 3.5Å; H261-A332 VanDerWaalsContact O-CB 3.27Å; H261-A332 WeakPolarHBondContact O-CB 3.36Å; V262-A332 HydrophobicContact CG2-CB 4.42Å
333F98.8Very high98.5Very high0 Ų014.5 Ų14.50%08%0.077CC..EExtended strand (participates in β ladder)trans-116.6143.3170.8-70.5-82000109.5L140 P141 F145 F198 M203 V207 Y237 C238 W259 Y260 H261 L263L140-F333 HydrophobicContact CD1-CD2 4.44Å; L140-F333 HydrophobicContact CD2-CB 3.77Å; L140-F333 HydrophobicContact CD2-CD1 4.48Å; L140-F333 HydrophobicContact CD2-CD2 3.72Å; L140-F333 HydrophobicContact CD2-CE2 4.45Å; L140-F333 HydrophobicContact CD2-CG 3.73Å; P141-F333 HydrophobicContact CG-CE2 3.82Å; P141-F333 HydrophobicContact CG-CZ 3.88Å; F145-F333 HydrophobicContact CD1-CZ 4.48Å; F145-F333 HydrophobicContact CE1-CZ 4.25Å; F198-F333 AromaticContact CE1-CD1 3.71Å; F198-F333 HydrophobicContact CE1-CD1 3.71Å; F198-F333 AromaticContact CE1-CE1 3.83Å; F198-F333 HydrophobicContact CE1-CE1 3.83Å; F198-F333 AromaticContact CZ-CD1 3.69Å; F198-F333 HydrophobicContact CZ-CD1 3.69Å; F198-F333 AromaticContact CZ-CE1 3.73Å; F198-F333 HydrophobicContact CZ-CE1 3.73Å; M203-F333 HydrophobicContact CE-CE1 4.3Å; V207-F333 HydrophobicContact CG2-CD1 4.17Å; V207-F333 HydrophobicContact CG2-CE1 4.09Å; Y237-F333 WeakPolarHBondContact O-CA 3.03Å; C238-F333 HydrophobicContact CB-CD1 4.31Å; C238-F333 HydrophobicContact CB-CE1 3.99Å; W259-F333 HydrophobicContact CH2-CB 4.02Å; W259-F333 HydrophobicContact CZ3-CB 4.13Å; W259-F333 WeakPolarHBondContact CZ3-O 3.43Å; Y260-F333 CarbonylContact C-O 3.59Å; H261-F333 PolarHBondContact N-O 2.83Å; H261-F333 PolarHBondContact O-N 3.22Å; L263-F333 HydrophobicContact CB-CD2 4.49Å; L263-F333 HydrophobicContact CB-CE2 4.5Å; L263-F333 HydrophobicContact CD2-CE2 4.25Å
334G98.5Very high98.5Very high2 Ų216.1 Ų16.12%0.0219%0.093CC..EExtended strand (participates in β ladder)trans-158.7179.4177.600000113.7Y237 W259Y237-G334 PolarHBondContact N-O 3.04Å; Y237-G334 PolarHBondContact O-N 3.37Å; W259-G334 VanDerWaalsContact CZ2-C 3.46Å; W259-G334 WeakPolarHBondContact CZ2-O 3.38Å; W259-G334 CarbonylContact O-C 3.5Å; W259-G334 WeakPolarHBondContact O-CA 3.24Å
335G98.4Very high98.5Very high1 Ų117 Ų171%0.0110%0.096CC..EExtended strand (participates in β ladder)trans-177.1150.4179.300000114.3V258 W259V258-G335 WeakPolarHBondContact CA-O 3.4Å; W259-G335 PolarHBondContact N-O 3.11Å; W259-G335 VanDerWaalsContact NE1-CA 3.35Å; W259-G335 PolarHBondContact NE1-O 3.08Å; W259-G335 PolarHBondContact O-N 3.26Å
336N98.8Very high98.5Very high10 Ų1017 Ų175%0.05310%0.096CC..EExtended strand (participates in β ladder)trans-105140.8-170.4-67.970000110.7V234 D252 F253 T256 S257V234-N336 HydrophobicContact CG2-CB 4.44Å; V234-N336 PolarHBondContact O-N 3.18Å; D252-N336 PolarHBondContact OD1-ND2 2.93Å; F253-N336 HydrophobicContact CE1-CB 4.49Å; F253-N336 HydrophobicContact CE2-CB 3.89Å; F253-N336 HydrophobicContact CZ-CB 3.64Å; T256-N336 HydrophobicContact CG2-CB 4.1Å; T256-N336 PolarHBondContact OG1-ND2 3.29Å; S257-N336 CarbonylContact O-C 3.54Å; S257-N336 WeakPolarHBondContact O-CA 3.47Å
337F98.7Very high98.5Very high6 Ų617.6 Ų17.63%0.02610%0.099CC..EExtended strand (participates in β ladder)trans-146.5137.7179.563.2-72.7000112.7F124 A213 M216 S257 H339F124-F337 HydrophobicContact CE1-CZ 4.26Å; A213-F337 HydrophobicContact CB-CD1 3.84Å; A213-F337 HydrophobicContact CB-CD2 4.32Å; A213-F337 HydrophobicContact CB-CE1 3.76Å; A213-F337 HydrophobicContact CB-CE2 4.22Å; A213-F337 HydrophobicContact CB-CG 4.14Å; A213-F337 HydrophobicContact CB-CZ 3.96Å; M216-F337 HydrophobicContact CB-CD2 4.41Å; M216-F337 HydrophobicContact CB-CE2 4.32Å; S257-F337 PolarHBondContact N-O 2.83Å; S257-F337 WeakPolarHBondContact O-CD1 3.18Å; S257-F337 PolarHBondContact O-N 2.69Å; F337-H339 AromaticContact CE2-CD2 3.85Å
338L98.8Very high98.5Very high1 Ų122 Ų221%0.00511%0.113CC..  trans-92.6146.5170.2-62.4172.1000109.2S217 W218 T256 Q346 F364 F367 I370S217-L338 CarbonylContact C-O 3.57Å; S217-L338 WeakPolarHBondContact CA-O 3.47Å; W218-L338 HydrophobicContact CB-CB 4.08Å; W218-L338 HydrophobicContact CD2-CB 3.56Å; W218-L338 HydrophobicContact CE3-CB 3.38Å; W218-L338 HydrophobicContact CE3-CD1 3.57Å; W218-L338 HydrophobicContact CE3-CG 4.07Å; W218-L338 HydrophobicContact CG-CB 3.86Å; W218-L338 HydrophobicContact CZ3-CB 4.11Å; W218-L338 HydrophobicContact CZ3-CD1 3.94Å; W218-L338 PolarHBondContact N-O 2.92Å; T256-L338 HydrophobicContact CG2-CD2 3.43Å; T256-L338 VanDerWaalsContact CG2-CD2 3.43Å; T256-L338 HydrophobicContact CG2-CG 3.66Å; L338-Q346 HydrophobicContact CD2-CB 4.35Å; L338-Q346 HydrophobicContact CD2-CG 3.86Å; L338-F364 HydrophobicContact CD1-CD1 4Å; L338-F364 HydrophobicContact CD1-CD2 3.89Å; L338-F364 HydrophobicContact CD1-CE1 3.8Å; L338-F364 HydrophobicContact CD1-CE2 3.67Å; L338-F364 HydrophobicContact CD1-CG 4.06Å; L338-F364 HydrophobicContact CD1-CZ 3.63Å; L338-F364 HydrophobicContact CG-CD2 4.1Å; L338-F364 HydrophobicContact CG-CE2 3.8Å; L338-F364 HydrophobicContact CG-CZ 4.17Å; L338-F367 HydrophobicContact CD1-CD2 3.82Å; L338-F367 HydrophobicContact CD1-CE2 3.79Å; L338-F367 HydrophobicContact CD2-CE2 3.9Å; L338-I370 HydrophobicContact CD1-CG2 4.08Å
339H98.6Very high98.6Very high0 Ų017 Ų170%09%0.09CC..  trans-153.7165.7-173.86316.8000114.5F124 M216 W218 S257 T318 F337 L341 Q346F124-H339 AromaticContact CD1-NE2 3.48Å; F124-H339 WeakPolarHBondContact CD1-NE2 3.32Å; M216-H339 HydrophobicContact CB-CB 4.07Å; M216-H339 HydrophobicContact CE-CB 4.22Å; M216-H339 WeakPolarHBondContact O-CB 3.16Å; W218-H339 VanDerWaalsContact NE1-C 3.27Å; S257-H339 PolarHBondContact OG-CE1 2.95Å; S257-H339 PolarHBondContact OG-NE2 2.98Å; T318-H339 PolarHBondContact OG1-CE1 2.77Å; F337-H339 AromaticContact CE2-CD2 3.85Å; H339-L341 VanDerWaalsContact C-N 3.32Å; H339-L341 PolarHBondContact O-N 2.8Å; H339-Q346 PolarHBondContact ND1-OE1 3.03Å; H339-Q346 VanDerWaalsContact ND1-OE1 3.1Å; H339-Q346 PolarHBondContact O-OE1 2.79Å
340N98.3Very high98.5Very high29 Ų2915.4 Ų15.416%0.1558%0.08CC..THydrogen-bonded Turntrans-74.5-9.4-173.7-64.4-27.6000115.8W218 Y222 I343 Y395 L396W218-N340 PolarHBondContact NE1-OD1 3.15Å; Y222-N340 PolarHBondContact OH-ND2 2.76Å; N340-I343 HydrophobicContact CB-CD1 4.47Å; N340-I343 WeakPolarHBondContact O-CG1 3.14Å; N340-Y395 WeakPolarHBondContact O-CD2 3.34Å; N340-L396 HydrophobicContact CB-CD1 4.17Å
341L98.1Very high98.5Very high15 Ų1517.4 Ų17.48%0.0799%0.09CC..THydrogen-bonded Turntrans-74.3-36-172.6-61.2-171.7000113.7L119 E120 F124 M216 H339 Y395L119-L341 HydrophobicContact CB-CD1 3.77Å; E120-L341 HydrophobicContact CG-CD2 4.05Å; F124-L341 HydrophobicContact CB-CD1 3.74Å; M216-L341 HydrophobicContact CE-CD1 3.39Å; M216-L341 HydrophobicContact CE-CG 3.67Å; H339-L341 VanDerWaalsContact C-N 3.32Å; H339-L341 PolarHBondContact O-N 2.8Å; L341-Y395 HydrophobicContact CD2-CD2 3.97Å; L341-Y395 HydrophobicContact CD2-CE1 4.24Å; L341-Y395 HydrophobicContact CD2-CE2 3.58Å; L341-Y395 HydrophobicContact CD2-CG 4.49Å
342N97.8Very high98.4Very high44 Ų4417.8 Ų17.824%0.2359%0.091CC..SBendtrans-133.741.4-172.8-85.9-46.6000112.6F124 N125 T318 G344 M345 Q346F124-N342 PolarHBondContact O-ND2 2.79Å; F124-N342 VanDerWaalsContact O-ND2 3.14Å; N125-N342 PolarHBondContact OD1-ND2 3.46Å; T318-N342 HydrophobicContact CG2-CB 3.93Å; N342-G344 PolarHBondContact O-N 3.05Å; N342-G344 VanDerWaalsContact O-N 3.14Å; N342-M345 HydrophobicContact CB-CB 4.42Å; N342-M345 PolarHBondContact O-N 3.07Å; N342-Q346 PolarHBondContact O-N 3.2Å; N342-Q346 VanDerWaalsContact O-N 3.13Å
343I98.7Very high98.4Very high2 Ų218.5 Ų18.51%0.0110%0.095CC..Hα-helixtrans-48.9-43.9-179.4-48.9-171.7000112W218 N340 M345 Q346 L347 L378 L403W218-I343 HydrophobicContact CH2-CG2 4.05Å; W218-I343 HydrophobicContact CZ2-CB 4.48Å; W218-I343 HydrophobicContact CZ2-CD1 4.16Å; W218-I343 HydrophobicContact CZ2-CG1 3.99Å; W218-I343 HydrophobicContact CZ2-CG2 4.05Å; N340-I343 HydrophobicContact CB-CD1 4.47Å; N340-I343 WeakPolarHBondContact O-CG1 3.14Å; I343-M345 PolarHBondContact O-N 2.7Å; I343-Q346 PolarHBondContact O-N 2.57Å; I343-L347 HydrophobicContact CG2-CD1 3.95Å; I343-L347 HydrophobicContact CG2-CG 4.36Å; I343-L347 VanDerWaalsContact O-CG 3.29Å; I343-L347 WeakPolarHBondContact O-CG 3.13Å; I343-L347 PolarHBondContact O-N 3.31Å; I343-L378 HydrophobicContact CD1-CD1 3.94Å; I343-L403 HydrophobicContact CG2-CB 4.33Å
344G98.4Very high98.2Very high33 Ų3322.8 Ų22.834%0.3411%0.111SC..Hα-helixtrans-66.8-19.3-179.900000115.2N342N342-G344 PolarHBondContact O-N 3.05Å; N342-G344 VanDerWaalsContact O-N 3.14Å
345M98.6Very high98.1Very high33 Ų3328.7 Ų28.716%0.16313%0.133CC..Hα-helixtrans-89.8-41173.2-171.971.789.900111.2P274 L279 T318 N342 I343 L347 R348 C349P274-M345 HydrophobicContact CB-CE 4.06Å; P274-M345 HydrophobicContact CG-CE 4.26Å; P274-M345 WeakPolarHBondContact O-CE 3.4Å; L279-M345 HydrophobicContact CD1-CE 4.02Å; L279-M345 HydrophobicContact CD1-SD 3.72Å; T318-M345 HydrophobicContact CG2-CB 3.6Å; T318-M345 HydrophobicContact CG2-CG 3.72Å; N342-M345 HydrophobicContact CB-CB 4.42Å; N342-M345 PolarHBondContact O-N 3.07Å; I343-M345 PolarHBondContact O-N 2.7Å; M345-L347 VanDerWaalsContact C-N 3.3Å; M345-L347 PolarHBondContact O-N 3.16Å; M345-R348 WeakPolarHBondContact O-CA 3.36Å; M345-R348 WeakPolarHBondContact O-CB 3.46Å; M345-R348 PolarHBondContact O-N 3.25Å; M345-R348 HydrophobicContact SD-CB 4.47Å; M345-C349 PolarHBondContact O-N 2.81Å; M345-C349 PolarHBondContact O-SG 2.92Å; M345-C349 VanDerWaalsContact O-SG 3.34Å
346Q98.8Very high98Very high0 Ų030.6 Ų30.60%014%0.142CC..Hα-helixtrans-52-49.6170.3-71.4167.9-15500111.1T318 L338 H339 N342 I343 R348 C349 Y350 F367T318-Q346 HydrophobicContact CG2-CG 3.7Å; L338-Q346 HydrophobicContact CD2-CB 4.35Å; L338-Q346 HydrophobicContact CD2-CG 3.86Å; H339-Q346 PolarHBondContact ND1-OE1 3.03Å; H339-Q346 VanDerWaalsContact ND1-OE1 3.1Å; H339-Q346 PolarHBondContact O-OE1 2.79Å; N342-Q346 PolarHBondContact O-N 3.2Å; N342-Q346 VanDerWaalsContact O-N 3.13Å; I343-Q346 PolarHBondContact O-N 2.57Å; Q346-R348 VanDerWaalsContact C-N 3.27Å; Q346-R348 PolarHBondContact O-N 3.1Å; Q346-C349 PolarHBondContact O-N 3.36Å; Q346-Y350 PolarHBondContact O-N 3.35Å; Q346-F367 HydrophobicContact CB-CZ 4.41Å
347L98.7Very high97.8Very high14 Ų1438.7 Ų38.77%0.07318%0.177CC..Hα-helixtrans-61.4-31.2175.9-67.8170.1000113.2I343 M345 E351 F367 A402 L403 A406 W410I343-L347 HydrophobicContact CG2-CD1 3.95Å; I343-L347 HydrophobicContact CG2-CG 4.36Å; I343-L347 VanDerWaalsContact O-CG 3.29Å; I343-L347 WeakPolarHBondContact O-CG 3.13Å; I343-L347 PolarHBondContact O-N 3.31Å; M345-L347 VanDerWaalsContact C-N 3.3Å; M345-L347 PolarHBondContact O-N 3.16Å; L347-E351 WeakPolarHBondContact O-CG 3.41Å; L347-E351 PolarHBondContact O-N 3.39Å; L347-E351 VanDerWaalsContact O-N 3.16Å; L347-F367 HydrophobicContact CD2-CE1 4.07Å; L347-F367 HydrophobicContact CD2-CZ 4.41Å; L347-A402 HydrophobicContact CD1-CB 4.16Å; L347-L403 HydrophobicContact CD1-CB 4.41Å; L347-L403 HydrophobicContact CD1-CD1 4.45Å; L347-L403 HydrophobicContact CD2-CD1 4.47Å; L347-A406 HydrophobicContact CD1-CB 4.05Å; L347-A406 HydrophobicContact CD2-CB 3.81Å; L347-A406 HydrophobicContact CG-CB 4.48Å; L347-W410 HydrophobicContact CD2-CH2 3.71Å; L347-W410 HydrophobicContact CD2-CZ2 3.84Å
348R98.5Very high97.5Very high112 Ų11239.9 Ų39.942%0.42319%0.185SC..Hα-helixtrans-72.6-41.4177.3-176.1-173.9-65.7167.4-1.3111.6M345 Q346 M352M345-R348 WeakPolarHBondContact O-CA 3.36Å; M345-R348 WeakPolarHBondContact O-CB 3.46Å; M345-R348 PolarHBondContact O-N 3.25Å; M345-R348 HydrophobicContact SD-CB 4.47Å; Q346-R348 VanDerWaalsContact C-N 3.27Å; Q346-R348 PolarHBondContact O-N 3.1Å; R348-M352 WeakPolarHBondContact O-CB 3.38Å; R348-M352 PolarHBondContact O-N 3.19Å
349C98.6Very high97.1Very high2 Ų243.5 Ų43.51%0.01421%0.208CC..Hα-helixtrans-64.7-47.3175.8-62.30000110.7I251 M345 Q346 E351 M352 E353I251-C349 HydrophobicContact CG2-CB 4.46Å; M345-C349 PolarHBondContact O-N 2.81Å; M345-C349 PolarHBondContact O-SG 2.92Å; M345-C349 VanDerWaalsContact O-SG 3.34Å; Q346-C349 PolarHBondContact O-N 3.36Å; C349-E351 PolarHBondContact O-N 3.24Å; C349-M352 CarbonylContact O-C 3.58Å; C349-M352 WeakPolarHBondContact O-CA 3.16Å; C349-M352 VanDerWaalsContact O-CB 3.28Å; C349-M352 WeakPolarHBondContact O-CB 3.12Å; C349-M352 PolarHBondContact O-N 3.32Å; C349-E353 WeakPolarHBondContact O-CG 3.46Å; C349-E353 PolarHBondContact O-N 3.2Å
350Y97.9Very high96.5Very high20 Ų2049.8 Ų49.88%0.07824%0.242CC..Hα-helixtrans-55.5-48.1174.7177.5-107000113Q346 M352 E353 R354 F367 E368 W410Q346-Y350 PolarHBondContact O-N 3.35Å; Y350-M352 PolarHBondContact O-N 2.92Å; Y350-E353 PolarHBondContact O-N 3.45Å; Y350-R354 VanDerWaalsContact CE1-CD 3.47Å; Y350-R354 HydrophobicContact CE1-CG 4.3Å; Y350-R354 WeakPolarHBondContact O-CG 3.38Å; Y350-R354 PolarHBondContact O-N 2.77Å; Y350-R354 VanDerWaalsContact O-N 3.07Å; Y350-F367 VanDerWaalsContact CB-CE1 3.42Å; Y350-F367 AromaticContact CD1-CD1 3.68Å; Y350-F367 HydrophobicContact CD1-CD1 3.68Å; Y350-F367 AromaticContact CD1-CE1 3.67Å; Y350-F367 HydrophobicContact CD1-CE1 3.67Å; Y350-F367 HydrophobicContact CD2-CB 3.95Å; Y350-F367 AromaticContact CD2-CD1 3.31Å; Y350-F367 HydrophobicContact CD2-CD1 3.31Å; Y350-F367 HydrophobicContact CD2-CD2 4.32Å; Y350-F367 AromaticContact CD2-CE1 3.81Å; Y350-F367 HydrophobicContact CD2-CE1 3.81Å; Y350-F367 AromaticContact CD2-CG 3.6Å; Y350-F367 HydrophobicContact CD2-CG 3.6Å; Y350-F367 HydrophobicContact CD2-CZ 4.49Å; Y350-F367 AromaticContact CE1-CD1 4Å; Y350-F367 HydrophobicContact CE1-CD1 4Å; Y350-F367 HydrophobicContact CE1-CE1 4.39Å; Y350-F367 HydrophobicContact CE2-CB 3.81Å; Y350-F367 AromaticContact CE2-CD1 3.66Å; Y350-F367 HydrophobicContact CE2-CD1 3.66Å; Y350-F367 AromaticContact CE2-CG 3.93Å; Y350-F367 HydrophobicContact CE2-CG 3.93Å; Y350-F367 AromaticContact CG-CD1 3.31Å; Y350-F367 HydrophobicContact CG-CD1 3.31Å; Y350-F367 AromaticContact CG-CE1 3.33Å; Y350-F367 HydrophobicContact CG-CE1 3.33Å; Y350-F367 HydrophobicContact CG-CG 4.04Å; Y350-F367 HydrophobicContact CG-CZ 4.06Å; Y350-E368 HydrophobicContact CE1-CG 3.91Å; Y350-E368 WeakPolarHBondContact CE1-OE1 3.35Å; Y350-E368 WeakPolarHBondContact OH-CG 3.39Å; Y350-E368 PolarHBondContact OH-OE1 3.2Å; Y350-W410 AromaticContact CD1-CZ2 3.9Å; Y350-W410 HydrophobicContact CD1-CZ2 3.9Å; Y350-W410 AromaticContact CE1-CZ2 3.85Å; Y350-W410 HydrophobicContact CE1-CZ2 3.85Å
351E97.4Very high95.9Very high42 Ų4254.3 Ų54.320%0.19627%0.266CS..Hα-helixtrans-68.3-22.4176.9-68.2-67.717600112.8L347 C349 R354 R355 W410L347-E351 WeakPolarHBondContact O-CG 3.41Å; L347-E351 PolarHBondContact O-N 3.39Å; L347-E351 VanDerWaalsContact O-N 3.16Å; C349-E351 PolarHBondContact O-N 3.24Å; E351-R354 IonicContact OE1-NH1 3.95Å; E351-R354 IonicContact OE2-CZ 2.61Å; E351-R354 IonicContact OE2-NH1 3.23Å; E351-R354 PolarHBondContact OE2-NH1 2.83Å; E351-R355 WeakPolarHBondContact O-CG 3.49Å; E351-R355 PolarHBondContact O-N 3.26Å; E351-R355 PolarHBondContact O-NH1 3.02Å; E351-W410 PolarHBondContact OE1-NE1 3.41Å
352M98Very high95.5Very high7 Ų758.4 Ų58.43%0.03428%0.283CS..Hα-helixtrans-73.2-46.9171.7-176.4-171.3-72.500111.3I251 L279 Y282 E283 R348 C349 Y350 R354 R355 L356I251-M352 HydrophobicContact CD1-SD 4.29Å; L279-M352 HydrophobicContact CB-CE 4.02Å; L279-M352 HydrophobicContact CD2-CE 4.2Å; L279-M352 WeakPolarHBondContact O-CE 3.37Å; Y282-M352 HydrophobicContact CD1-CE 4.45Å; Y282-M352 HydrophobicContact CD1-SD 3.6Å; Y282-M352 VanDerWaalsContact CD1-SD 3.6Å; Y282-M352 HydrophobicContact CE1-SD 3.73Å; E283-M352 HydrophobicContact CB-CE 4.08Å; E283-M352 HydrophobicContact CB-CG 4.27Å; E283-M352 HydrophobicContact CB-SD 4.16Å; E283-M352 HydrophobicContact CG-CG 3.97Å; R348-M352 WeakPolarHBondContact O-CB 3.38Å; R348-M352 PolarHBondContact O-N 3.19Å; C349-M352 CarbonylContact O-C 3.58Å; C349-M352 WeakPolarHBondContact O-CA 3.16Å; C349-M352 VanDerWaalsContact O-CB 3.28Å; C349-M352 WeakPolarHBondContact O-CB 3.12Å; C349-M352 PolarHBondContact O-N 3.32Å; Y350-M352 PolarHBondContact O-N 2.92Å; M352-R354 PolarHBondContact O-N 2.9Å; M352-R355 PolarHBondContact O-N 3.36Å; M352-L356 HydrophobicContact CG-CD1 3.9Å; M352-L356 HydrophobicContact CG-CG 4.34Å; M352-L356 WeakPolarHBondContact O-CG 3.13Å; M352-L356 PolarHBondContact O-N 2.59Å; M352-L356 HydrophobicContact SD-CD1 4.42Å
353E97.7Very high95.3Very high16 Ų1658.4 Ų58.48%0.07528%0.281CS..Hα-helixtrans-52.9-41.4172.5-68.1157.4-150.700111.2G254 G255 C349 Y350 K357 T358 K363G254-E353 WeakPolarHBondContact CA-OE1 3.43Å; G254-E353 PolarHBondContact N-OE1 2.75Å; G254-E353 PolarHBondContact N-OE2 2.72Å; G255-E353 PolarHBondContact N-OE1 2.87Å; C349-E353 WeakPolarHBondContact O-CG 3.46Å; C349-E353 PolarHBondContact O-N 3.2Å; Y350-E353 PolarHBondContact O-N 3.45Å; E353-K357 PolarHBondContact O-N 3.07Å; E353-T358 WeakPolarHBondContact CA-OG1 3.37Å; E353-T358 PolarHBondContact O-N 2.86Å; E353-T358 PolarHBondContact O-OG1 2.96Å; E353-K363 HydrophobicContact CB-CD 4.27Å; E353-K363 HydrophobicContact CB-CG 4.29Å
354R94.4Very high95.3Very high89 Ų8958.7 Ų58.734%0.33628%0.282SS..Hα-helixtrans-63.8-38174.6-69-17670.9-110.9-11113.5Y350 E351 M352 K357 R413Y350-R354 VanDerWaalsContact CE1-CD 3.47Å; Y350-R354 HydrophobicContact CE1-CG 4.3Å; Y350-R354 WeakPolarHBondContact O-CG 3.38Å; Y350-R354 PolarHBondContact O-N 2.77Å; Y350-R354 VanDerWaalsContact O-N 3.07Å; E351-R354 IonicContact OE1-NH1 3.95Å; E351-R354 IonicContact OE2-CZ 2.61Å; E351-R354 IonicContact OE2-NH1 3.23Å; E351-R354 PolarHBondContact OE2-NH1 2.83Å; M352-R354 PolarHBondContact O-N 2.9Å; R354-K357 PolarHBondContact O-N 2.89Å; R354-R413 VanDerWaalsContact NH2-CD 3.28Å
355R96.4Very high95.2Very high127 Ų12759.5 Ų59.548%0.47928%0.281SS..Hα-helixtrans-74.9-37.7177.8-70.9-173.5-50.8-84.45.2112.6E283 E351 M352 K357E283-R355 VanDerWaalsContact CD-NH2 3.28Å; E283-R355 IonicContact OE1-CZ 3.89Å; E283-R355 VanDerWaalsContact OE1-CZ 3.32Å; E283-R355 IonicContact OE1-NE 2.69Å; E283-R355 PolarHBondContact OE1-NE 2.9Å; E283-R355 IonicContact OE1-NH2 2.76Å; E283-R355 PolarHBondContact OE1-NH2 2.79Å; E283-R355 VanDerWaalsContact OE1-NH2 3.14Å; E283-R355 IonicContact OE2-CZ 3.24Å; E283-R355 IonicContact OE2-NE 2.79Å; E283-R355 IonicContact OE2-NH2 2.9Å; E283-R355 PolarHBondContact OE2-NH2 2.76Å; E351-R355 WeakPolarHBondContact O-CG 3.49Å; E351-R355 PolarHBondContact O-N 3.26Å; E351-R355 PolarHBondContact O-NH1 3.02Å; M352-R355 PolarHBondContact O-N 3.36Å; R355-K357 PolarHBondContact O-N 3.15Å
356L95.9Very high95Very high40 Ų4061.8 Ų61.821%0.20929%0.289CS..Hα-helixtrans-70.7-10.6172.5-66.7173.5000113Y282 E283 M352 T358Y282-L356 HydrophobicContact CE1-CD1 4.49Å; E283-L356 HydrophobicContact CG-CD2 4.1Å; E283-L356 HydrophobicContact CG-CG 4.41Å; M352-L356 HydrophobicContact CG-CD1 3.9Å; M352-L356 HydrophobicContact CG-CG 4.34Å; M352-L356 WeakPolarHBondContact O-CG 3.13Å; M352-L356 PolarHBondContact O-N 2.59Å; M352-L356 HydrophobicContact SD-CD1 4.42Å; L356-T358 VanDerWaalsContact C-N 3.28Å; L356-T358 PolarHBondContact O-N 3.23Å
357K95.6Very high95Very high180 Ų18061.9 Ų61.978%0.78329%0.289SS*.THydrogen-bonded Turntrans58.936.6-175.8-53.3179-177.4176.30112.9E353 R354 R355E353-K357 PolarHBondContact O-N 3.07Å; R354-K357 PolarHBondContact O-N 2.89Å; R355-K357 PolarHBondContact O-N 3.15Å
358T92.3Very high94.9Very high31 Ų3161.5 Ų61.519%0.1929%0.287CS..  trans-51.5129.8177.9-53.50000110.4E353 L356 F362 K363E353-T358 WeakPolarHBondContact CA-OG1 3.37Å; E353-T358 PolarHBondContact O-N 2.86Å; E353-T358 PolarHBondContact O-OG1 2.96Å; L356-T358 VanDerWaalsContact C-N 3.28Å; L356-T358 PolarHBondContact O-N 3.23Å; T358-F362 HydrophobicContact CG2-CB 3.8Å; T358-K363 HydrophobicContact CG2-CD 4.47Å; T358-K363 HydrophobicContact CG2-CG 3.85Å; T358-K363 WeakPolarHBondContact O-CD 3.41Å; T358-K363 WeakPolarHBondContact O-CE 3.43Å; T358-K363 PolarHBondContact O-NZ 3.26Å
359P90.2Very high94.8Very high77 Ų7756.1 Ų56.150%0.527%0.267SS..  trans-59.2154177.4-24.633.4000113L361 F362 K363P359-L361 VanDerWaalsContact C-N 3.26Å; P359-L361 PolarHBondContact O-N 3.33Å; P359-F362 HydrophobicContact CB-CD2 4Å; P359-F362 HydrophobicContact CG-CD2 4.04Å; P359-F362 HydrophobicContact CG-CE2 4.47Å; P359-F362 PolarHBondContact O-N 3.2Å; P359-K363 WeakPolarHBondContact O-CE 3.27Å
360D87.1Confident94.7Very high132 Ų13256 Ų5671%0.70627%0.266SS*.G310 helixtrans-62.5-29.9-174.7-59.7-43.4000113.8F362 K363D360-F362 PolarHBondContact O-N 3.3Å; D360-K363 PolarHBondContact O-N 2.83Å; D360-K363 WeakPolarHBondContact OD1-CE 3.43Å; D360-K363 IonicContact OD1-NZ 2.68Å; D360-K363 PolarHBondContact OD1-NZ 3.46Å
361L85.1Confident94.7Very high125 Ų12555.1 Ų55.165%0.65426%0.262SS*.G310 helixtrans-62.9-24.2174.5-17461.6000113.5P359P359-L361 VanDerWaalsContact C-N 3.26Å; P359-L361 PolarHBondContact O-N 3.33Å
362F89.4Confident94.8Very high100 Ų10053.2 Ų53.244%0.43925%0.253SS..G310 helixtrans-109.620.6-176.9-55.8-64.8000112.8T358 P359 D360T358-F362 HydrophobicContact CG2-CB 3.8Å; P359-F362 HydrophobicContact CB-CD2 4Å; P359-F362 HydrophobicContact CG-CD2 4.04Å; P359-F362 HydrophobicContact CG-CE2 4.47Å; P359-F362 PolarHBondContact O-N 3.2Å; D360-F362 PolarHBondContact O-N 3.3Å
363K94.3Very high94.7Very high45 Ų4553.2 Ų53.220%0.19625%0.253CS..SBendtrans-122.1161.1175.6-70.8178.3-59.9-156.60110.7E353 T358 P359 D360 P365E353-K363 HydrophobicContact CB-CD 4.27Å; E353-K363 HydrophobicContact CB-CG 4.29Å; T358-K363 HydrophobicContact CG2-CD 4.47Å; T358-K363 HydrophobicContact CG2-CG 3.85Å; T358-K363 WeakPolarHBondContact O-CD 3.41Å; T358-K363 WeakPolarHBondContact O-CE 3.43Å; T358-K363 PolarHBondContact O-NZ 3.26Å; P359-K363 WeakPolarHBondContact O-CE 3.27Å; D360-K363 PolarHBondContact O-N 2.83Å; D360-K363 WeakPolarHBondContact OD1-CE 3.43Å; D360-K363 IonicContact OD1-NZ 2.68Å; D360-K363 PolarHBondContact OD1-NZ 3.46Å; K363-P365 WeakPolarHBondContact O-CD 3.13Å
364F97.4Very high94.8Very high8 Ų852.4 Ų52.44%0.03525%0.249CC..  trans-65.6122.6177.2-170-78.5000110.4V219 P232 V234 F253 T256 L338 Y366 F367 I370V219-F364 HydrophobicContact CG2-CE1 4.49Å; V219-F364 HydrophobicContact CG2-CZ 3.84Å; P232-F364 HydrophobicContact CB-CE1 4.13Å; P232-F364 HydrophobicContact CB-CZ 4.24Å; P232-F364 HydrophobicContact CG-CE1 4.16Å; V234-F364 HydrophobicContact CG2-CE2 3.84Å; V234-F364 HydrophobicContact CG2-CZ 4.3Å; F253-F364 HydrophobicContact CD2-CB 3.9Å; F253-F364 AromaticContact CD2-CD2 3.83Å; F253-F364 HydrophobicContact CD2-CD2 3.83Å; F253-F364 HydrophobicContact CD2-CG 4.31Å; F253-F364 AromaticContact CE2-CD2 3.88Å; F253-F364 HydrophobicContact CE2-CD2 3.88Å; T256-F364 HydrophobicContact CG2-CD2 3.65Å; T256-F364 HydrophobicContact CG2-CE2 3.83Å; L338-F364 HydrophobicContact CD1-CD1 4Å; L338-F364 HydrophobicContact CD1-CD2 3.89Å; L338-F364 HydrophobicContact CD1-CE1 3.8Å; L338-F364 HydrophobicContact CD1-CE2 3.67Å; L338-F364 HydrophobicContact CD1-CG 4.06Å; L338-F364 HydrophobicContact CD1-CZ 3.63Å; L338-F364 HydrophobicContact CG-CD2 4.1Å; L338-F364 HydrophobicContact CG-CE2 3.8Å; L338-F364 HydrophobicContact CG-CZ 4.17Å; F364-Y366 PolarHBondContact O-N 2.99Å; F364-F367 HydrophobicContact CB-CB 4.23Å; F364-F367 HydrophobicContact CB-CD2 3.91Å; F364-F367 HydrophobicContact CD1-CB 4.14Å; F364-F367 HydrophobicContact CD1-CD2 4.12Å; F364-F367 HydrophobicContact CG-CD2 4.08Å; F364-F367 PolarHBondContact O-N 3.04Å; F364-I370 HydrophobicContact CE1-CG2 3.99Å
365P96Very high94.9Very high50 Ų5048.2 Ų48.233%0.32523%0.233SC..THydrogen-bonded Turntrans-61.8126.7-178.6-23.133.5000112P232 V234 K363 F367P232-P365 HydrophobicContact CB-CB 4.14Å; P232-P365 HydrophobicContact CB-CG 4.48Å; P232-P365 HydrophobicContact CG-CB 4.36Å; P232-P365 VanDerWaalsContact CG-O 3.28Å; P232-P365 WeakPolarHBondContact CG-O 3.42Å; V234-P365 HydrophobicContact CG1-CG 4.41Å; K363-P365 WeakPolarHBondContact O-CD 3.13Å; P365-F367 PolarHBondContact O-N 3.43Å
366Y96.1Very high95Very high81 Ų8145.9 Ų45.932%0.31823%0.227SC..THydrogen-bonded Turntrans55.543.9177.6-48-76.6000114.2W223 F229 P230 P232 F364 E368 A369 I370 E421W223-Y366 HydrophobicContact CH2-CD2 4.24Å; W223-Y366 HydrophobicContact CH2-CG 4.19Å; F229-Y366 HydrophobicContact CB-CD1 4.17Å; F229-Y366 HydrophobicContact CB-CD2 4.46Å; F229-Y366 HydrophobicContact CB-CE1 4.41Å; F229-Y366 HydrophobicContact CB-CG 4.19Å; F229-Y366 AromaticContact CD1-CD1 3.58Å; F229-Y366 HydrophobicContact CD1-CD1 3.58Å; F229-Y366 AromaticContact CD1-CE1 3.62Å; F229-Y366 HydrophobicContact CD1-CE1 3.62Å; F229-Y366 HydrophobicContact CD1-CG 4.41Å; F229-Y366 HydrophobicContact CE1-CD1 4.21Å; F229-Y366 HydrophobicContact CE1-CE1 4.31Å; F229-Y366 HydrophobicContact CG-CD1 4.01Å; F229-Y366 HydrophobicContact CG-CE1 4.34Å; F229-Y366 HydrophobicContact CG-CG 4.43Å; P230-Y366 HydrophobicContact CG-CE2 3.7Å; P232-Y366 HydrophobicContact CG-CD2 4.46Å; F364-Y366 PolarHBondContact O-N 2.99Å; Y366-E368 VanDerWaalsContact C-N 3.35Å; Y366-E368 PolarHBondContact O-N 3Å; Y366-A369 WeakPolarHBondContact O-CB 3.49Å; Y366-A369 PolarHBondContact O-N 3.46Å; Y366-I370 PolarHBondContact O-N 3.14Å; Y366-E421 VanDerWaalsContact CA-OE2 3.24Å; Y366-E421 WeakPolarHBondContact CA-OE2 3.22Å
367F97.6Very high95Very high2 Ų245.4 Ų45.41%0.00923%0.225CC..Hα-helixtrans-58.9-39-176.7-176.5-90.9000113.8G254 L338 Q346 L347 Y350 F364 P365 I370 C371 W410 E421G254-F367 WeakPolarHBondContact O-CE2 3.47Å; L338-F367 HydrophobicContact CD1-CD2 3.82Å; L338-F367 HydrophobicContact CD1-CE2 3.79Å; L338-F367 HydrophobicContact CD2-CE2 3.9Å; Q346-F367 HydrophobicContact CB-CZ 4.41Å; L347-F367 HydrophobicContact CD2-CE1 4.07Å; L347-F367 HydrophobicContact CD2-CZ 4.41Å; Y350-F367 VanDerWaalsContact CB-CE1 3.42Å; Y350-F367 AromaticContact CD1-CD1 3.68Å; Y350-F367 HydrophobicContact CD1-CD1 3.68Å; Y350-F367 AromaticContact CD1-CE1 3.67Å; Y350-F367 HydrophobicContact CD1-CE1 3.67Å; Y350-F367 HydrophobicContact CD2-CB 3.95Å; Y350-F367 AromaticContact CD2-CD1 3.31Å; Y350-F367 HydrophobicContact CD2-CD1 3.31Å; Y350-F367 HydrophobicContact CD2-CD2 4.32Å; Y350-F367 AromaticContact CD2-CE1 3.81Å; Y350-F367 HydrophobicContact CD2-CE1 3.81Å; Y350-F367 AromaticContact CD2-CG 3.6Å; Y350-F367 HydrophobicContact CD2-CG 3.6Å; Y350-F367 HydrophobicContact CD2-CZ 4.49Å; Y350-F367 AromaticContact CE1-CD1 4Å; Y350-F367 HydrophobicContact CE1-CD1 4Å; Y350-F367 HydrophobicContact CE1-CE1 4.39Å; Y350-F367 HydrophobicContact CE2-CB 3.81Å; Y350-F367 AromaticContact CE2-CD1 3.66Å; Y350-F367 HydrophobicContact CE2-CD1 3.66Å; Y350-F367 AromaticContact CE2-CG 3.93Å; Y350-F367 HydrophobicContact CE2-CG 3.93Å; Y350-F367 AromaticContact CG-CD1 3.31Å; Y350-F367 HydrophobicContact CG-CD1 3.31Å; Y350-F367 AromaticContact CG-CE1 3.33Å; Y350-F367 HydrophobicContact CG-CE1 3.33Å; Y350-F367 HydrophobicContact CG-CG 4.04Å; Y350-F367 HydrophobicContact CG-CZ 4.06Å; F364-F367 HydrophobicContact CB-CB 4.23Å; F364-F367 HydrophobicContact CB-CD2 3.91Å; F364-F367 HydrophobicContact CD1-CB 4.14Å; F364-F367 HydrophobicContact CD1-CD2 4.12Å; F364-F367 HydrophobicContact CG-CD2 4.08Å; F364-F367 PolarHBondContact O-N 3.04Å; P365-F367 PolarHBondContact O-N 3.43Å; F367-I370 VanDerWaalsContact O-CG2 3.26Å; F367-I370 WeakPolarHBondContact O-CG2 3.36Å; F367-C371 WeakPolarHBondContact O-CB 3.4Å; F367-C371 PolarHBondContact O-N 2.98Å; F367-C371 VanDerWaalsContact O-N 3.14Å; F367-C371 PolarHBondContact O-SG 3.22Å; F367-W410 HydrophobicContact CD1-CH2 4.38Å; F367-W410 HydrophobicContact CE1-CH2 4.19Å; F367-W410 HydrophobicContact CE1-CZ2 4.46Å; F367-E421 PolarHBondContact N-OE2 3.07Å
368E96.3Very high95.1Very high5 Ų536.9 Ų36.92%0.02319%0.187CC..Hα-helixtrans-74.6-35.9177.8-60-165.8173.300110.5Y350 Y366 C371 W372 W410 R413 E421Y350-E368 HydrophobicContact CE1-CG 3.91Å; Y350-E368 WeakPolarHBondContact CE1-OE1 3.35Å; Y350-E368 WeakPolarHBondContact OH-CG 3.39Å; Y350-E368 PolarHBondContact OH-OE1 3.2Å; Y366-E368 VanDerWaalsContact C-N 3.35Å; Y366-E368 PolarHBondContact O-N 3Å; E368-C371 CarbonylContact O-C 3.59Å; E368-C371 WeakPolarHBondContact O-CA 3.43Å; E368-C371 WeakPolarHBondContact O-CB 3.24Å; E368-C371 PolarHBondContact O-N 3.49Å; E368-C371 VanDerWaalsContact O-N 3.17Å; E368-W372 PolarHBondContact O-N 3.08Å; E368-W410 HydrophobicContact CB-CE3 3.82Å; E368-W410 HydrophobicContact CB-CH2 4.31Å; E368-W410 HydrophobicContact CB-CZ3 3.71Å; E368-W410 HydrophobicContact CG-CD2 3.87Å; E368-W410 HydrophobicContact CG-CE3 3.65Å; E368-W410 HydrophobicContact CG-CH2 3.84Å; E368-W410 HydrophobicContact CG-CZ2 4.04Å; E368-W410 HydrophobicContact CG-CZ3 3.64Å; E368-W410 PolarHBondContact OE1-NE1 2.85Å; E368-R413 IonicContact OE1-CZ 3.19Å; E368-R413 VanDerWaalsContact OE1-CZ 3.24Å; E368-R413 IonicContact OE1-NH1 2.81Å; E368-R413 PolarHBondContact OE1-NH1 3.24Å; E368-R413 IonicContact OE1-NH2 3.08Å; E368-R413 PolarHBondContact OE1-NH2 3.02Å; E368-R413 IonicContact OE2-CZ 2.86Å; E368-R413 IonicContact OE2-NH1 3.31Å; E368-R413 IonicContact OE2-NH2 2.57Å; E368-R413 PolarHBondContact OE2-NH2 3.42Å; E368-E421 WeakPolarHBondContact CA-OE2 3.19Å; E368-E421 HydrophobicContact CB-CB 3.88Å; E368-E421 WeakPolarHBondContact CB-OE2 3.29Å; E368-E421 PolarHBondContact N-OE2 2.84Å
369A96.3Very high95.3Very high0 Ų036.2 Ų36.20%018%0.183CC..Hα-helixtrans-60.6-46.8175.600000112.4W223 F229 Y366 C371 W372 Y373 E421 P423W223-A369 HydrophobicContact CH2-CB 4.44Å; F229-A369 HydrophobicContact CD2-CB 3.84Å; F229-A369 HydrophobicContact CE2-CB 3.97Å; Y366-A369 WeakPolarHBondContact O-CB 3.49Å; Y366-A369 PolarHBondContact O-N 3.46Å; A369-C371 VanDerWaalsContact C-N 3.32Å; A369-C371 PolarHBondContact O-N 2.94Å; A369-W372 WeakPolarHBondContact O-CB 3.27Å; A369-W372 PolarHBondContact O-N 2.98Å; A369-Y373 WeakPolarHBondContact O-CD2 3.37Å; A369-Y373 PolarHBondContact O-N 3.24Å; A369-Y373 VanDerWaalsContact O-N 3.08Å; A369-E421 VanDerWaalsContact CA-O 3.31Å; A369-E421 WeakPolarHBondContact CA-O 3.29Å; A369-E421 HydrophobicContact CB-CB 4.26Å; A369-E421 WeakPolarHBondContact CB-O 3.38Å; A369-E421 PolarHBondContact N-OE2 3.18Å; A369-P423 HydrophobicContact CB-CG 4.42Å
370I97.8Very high95.6Very high0 Ų037 Ų370%018%0.18CC..Hα-helixtrans-65.5-36.2174.1-174.855.4000111.5W218 W223 L338 F364 Y366 F367 W372 Y373 V374W218-I370 HydrophobicContact CB-CD1 4.04Å; W218-I370 HydrophobicContact CB-CG1 3.79Å; W218-I370 HydrophobicContact CE3-CG1 4.03Å; W218-I370 HydrophobicContact CE3-CG2 4.3Å; W223-I370 HydrophobicContact CE3-CB 4.06Å; W223-I370 HydrophobicContact CE3-CD1 4.09Å; W223-I370 HydrophobicContact CE3-CG1 4.46Å; W223-I370 HydrophobicContact CZ3-CB 3.99Å; L338-I370 HydrophobicContact CD1-CG2 4.08Å; F364-I370 HydrophobicContact CE1-CG2 3.99Å; Y366-I370 PolarHBondContact O-N 3.14Å; F367-I370 VanDerWaalsContact O-CG2 3.26Å; F367-I370 WeakPolarHBondContact O-CG2 3.36Å; I370-W372 VanDerWaalsContact C-N 3.3Å; I370-W372 PolarHBondContact O-N 2.87Å; I370-Y373 PolarHBondContact O-N 3.33Å; I370-V374 HydrophobicContact CD1-CG2 4.11Å; I370-V374 HydrophobicContact CG1-CG2 4.12Å; I370-V374 WeakPolarHBondContact O-CB 3.25Å; I370-V374 WeakPolarHBondContact O-CG2 3.43Å; I370-V374 PolarHBondContact O-N 2.79Å
371C98.3Very high95.9Very high0 Ų031.9 Ų31.90%015%0.152CC..Hα-helixtrans-60-36.8172.4-76.40000112.7F367 E368 A369 A375 L403 W410F367-C371 WeakPolarHBondContact O-CB 3.4Å; F367-C371 PolarHBondContact O-N 2.98Å; F367-C371 VanDerWaalsContact O-N 3.14Å; F367-C371 PolarHBondContact O-SG 3.22Å; E368-C371 CarbonylContact O-C 3.59Å; E368-C371 WeakPolarHBondContact O-CA 3.43Å; E368-C371 WeakPolarHBondContact O-CB 3.24Å; E368-C371 PolarHBondContact O-N 3.49Å; E368-C371 VanDerWaalsContact O-N 3.17Å; A369-C371 VanDerWaalsContact C-N 3.32Å; A369-C371 PolarHBondContact O-N 2.94Å; C371-A375 VanDerWaalsContact O-CB 3.26Å; C371-A375 WeakPolarHBondContact O-CB 3.48Å; C371-A375 PolarHBondContact O-N 3.14Å; C371-L403 HydrophobicContact CB-CD1 3.95Å; C371-W410 HydrophobicContact CB-CH2 3.87Å; C371-W410 HydrophobicContact CB-CZ3 3.65Å
372W97.8Very high96.4Very high2 Ų226.1 Ų26.11%0.00812%0.121CC..Hα-helixtrans-66.2-45.2172.8-73.8113.7000112.4E368 A369 I370 A375 K376 L407 V422 P423 I426 P428 L431 I432E368-W372 PolarHBondContact O-N 3.08Å; A369-W372 WeakPolarHBondContact O-CB 3.27Å; A369-W372 PolarHBondContact O-N 2.98Å; I370-W372 VanDerWaalsContact C-N 3.3Å; I370-W372 PolarHBondContact O-N 2.87Å; W372-A375 WeakPolarHBondContact O-CB 3.47Å; W372-A375 PolarHBondContact O-N 3.41Å; W372-K376 PolarHBondContact O-N 2.99Å; W372-L407 HydrophobicContact CD2-CD2 3.69Å; W372-L407 HydrophobicContact CE3-CD1 4Å; W372-L407 HydrophobicContact CE3-CD2 3.76Å; W372-L407 HydrophobicContact CE3-CG 4.36Å; W372-L407 HydrophobicContact CG-CD2 4.31Å; W372-L407 HydrophobicContact CH2-CB 3.8Å; W372-L407 HydrophobicContact CH2-CD1 4.44Å; W372-L407 HydrophobicContact CH2-CD2 3.95Å; W372-L407 HydrophobicContact CH2-CG 4.26Å; W372-L407 HydrophobicContact CZ2-CB 4.33Å; W372-L407 HydrophobicContact CZ2-CD2 3.9Å; W372-L407 HydrophobicContact CZ3-CB 4.03Å; W372-L407 HydrophobicContact CZ3-CD1 3.83Å; W372-L407 HydrophobicContact CZ3-CD2 3.89Å; W372-L407 HydrophobicContact CZ3-CG 4.12Å; W372-V422 HydrophobicContact CZ2-CG2 3.98Å; W372-P423 HydrophobicContact CB-CG 4.14Å; W372-I426 HydrophobicContact CB-CD1 3.76Å; W372-I426 HydrophobicContact CE3-CG2 3.98Å; W372-I426 WeakPolarHBondContact O-CD1 3.4Å; W372-P428 HydrophobicContact CH2-CB 3.57Å; W372-P428 HydrophobicContact CH2-CG 4.07Å; W372-P428 HydrophobicContact CZ2-CB 4.28Å; W372-P428 HydrophobicContact CZ2-CG 4.39Å; W372-P428 HydrophobicContact CZ3-CB 3.86Å; W372-P428 HydrophobicContact CZ3-CG 4.28Å; W372-L431 HydrophobicContact CE3-CD2 4.14Å; W372-I432 HydrophobicContact CH2-CD1 4.02Å; W372-I432 HydrophobicContact CH2-CG1 4.49Å; W372-I432 HydrophobicContact CZ3-CD1 4.34Å; W372-I432 HydrophobicContact CZ3-CG1 4.32Å
373Y97.6Very high96.6Very high7 Ų723.9 Ų23.93%0.02711%0.112CC..Hα-helixtrans-64.4-41.3176.7-68-48.9000112.8W223 P224 S227 A369 I370 K376 N377 P423 I426W223-Y373 HydrophobicContact CD2-CE2 4.46Å; W223-Y373 HydrophobicContact CE3-CD2 4.36Å; W223-Y373 HydrophobicContact CE3-CE2 4.49Å; P224-Y373 VanDerWaalsContact CD-CE2 3.47Å; P224-Y373 HydrophobicContact CG-CD1 3.81Å; P224-Y373 HydrophobicContact CG-CD2 4.43Å; P224-Y373 HydrophobicContact CG-CE1 3.51Å; P224-Y373 HydrophobicContact CG-CE2 4.16Å; P224-Y373 HydrophobicContact CG-CG 4.27Å; S227-Y373 WeakPolarHBondContact CB-OH 3.31Å; S227-Y373 PolarHBondContact OG-OH 3.45Å; A369-Y373 WeakPolarHBondContact O-CD2 3.37Å; A369-Y373 PolarHBondContact O-N 3.24Å; A369-Y373 VanDerWaalsContact O-N 3.08Å; I370-Y373 PolarHBondContact O-N 3.33Å; Y373-K376 PolarHBondContact O-N 3.04Å; Y373-N377 PolarHBondContact O-N 3.5Å; Y373-N377 VanDerWaalsContact O-N 3.08Å; Y373-N377 PolarHBondContact O-ND2 2.62Å; Y373-P423 HydrophobicContact CD1-CB 4.42Å; Y373-P423 HydrophobicContact CD1-CG 4.14Å; Y373-P423 HydrophobicContact CD2-CG 4.39Å; Y373-P423 HydrophobicContact CE1-CB 3.54Å; Y373-P423 HydrophobicContact CE1-CG 3.63Å; Y373-P423 HydrophobicContact CE2-CB 4.43Å; Y373-P423 HydrophobicContact CE2-CG 3.93Å; Y373-P423 HydrophobicContact CG-CG 4.5Å; Y373-P423 WeakPolarHBondContact OH-CB 3.31Å; Y373-I426 HydrophobicContact CD1-CD1 3.86Å; Y373-I426 HydrophobicContact CE1-CD1 4.3Å
374V98.1Very high96.5Very high0 Ų022.7 Ų22.70%011%0.107CC..Hα-helixtrans-57.2-51171.2170.10000109.7W218 Y222 I370 K376 N377 L378 L403W218-V374 HydrophobicContact CB-CG2 4.06Å; W218-V374 HydrophobicContact CD2-CG1 4.49Å; W218-V374 HydrophobicContact CD2-CG2 3.36Å; W218-V374 HydrophobicContact CE3-CG2 3.68Å; W218-V374 HydrophobicContact CG-CG2 3.58Å; W218-V374 HydrophobicContact CH2-CG1 4.41Å; W218-V374 HydrophobicContact CH2-CG2 4.41Å; W218-V374 HydrophobicContact CZ2-CG1 3.85Å; W218-V374 HydrophobicContact CZ2-CG2 4.15Å; W218-V374 HydrophobicContact CZ3-CG2 4.2Å; Y222-V374 HydrophobicContact CD2-CB 4.39Å; Y222-V374 HydrophobicContact CD2-CG2 3.59Å; Y222-V374 HydrophobicContact CE2-CG2 4.24Å; Y222-V374 HydrophobicContact CG-CG2 4.36Å; I370-V374 HydrophobicContact CD1-CG2 4.11Å; I370-V374 HydrophobicContact CG1-CG2 4.12Å; I370-V374 WeakPolarHBondContact O-CB 3.25Å; I370-V374 WeakPolarHBondContact O-CG2 3.43Å; I370-V374 PolarHBondContact O-N 2.79Å; V374-K376 VanDerWaalsContact C-N 3.28Å; V374-K376 PolarHBondContact O-N 2.9Å; V374-N377 PolarHBondContact O-N 2.69Å; V374-N377 VanDerWaalsContact O-N 3.11Å; V374-L378 HydrophobicContact CG1-CD1 3.61Å; V374-L378 HydrophobicContact CG1-CG 3.93Å; V374-L378 WeakPolarHBondContact O-CB 3.15Å; V374-L378 WeakPolarHBondContact O-CG 3.34Å; V374-L378 PolarHBondContact O-N 3.1Å; V374-L403 HydrophobicContact CG1-CD2 4.04Å
375A98.3Very high96.2Very high0 Ų023 Ų230%011%0.108CC..Hα-helixtrans-57.1-39.2-179.800000113C371 W372 L379 L403 L407 L431 L435C371-A375 VanDerWaalsContact O-CB 3.26Å; C371-A375 WeakPolarHBondContact O-CB 3.48Å; C371-A375 PolarHBondContact O-N 3.14Å; W372-A375 WeakPolarHBondContact O-CB 3.47Å; W372-A375 PolarHBondContact O-N 3.41Å; A375-L379 PolarHBondContact O-N 3.47Å; A375-L379 VanDerWaalsContact O-N 3.1Å; A375-L403 HydrophobicContact CB-CD2 3.85Å; A375-L403 HydrophobicContact CB-CG 4.34Å; A375-L407 HydrophobicContact CB-CD1 3.6Å; A375-L431 HydrophobicContact CB-CD2 4.05Å; A375-L431 HydrophobicContact CB-CG 4.49Å; A375-L435 HydrophobicContact CB-CD1 3.9Å
376K97.5Very high95.9Very high78 Ų7823.9 Ų23.934%0.33911%0.105SC..Hα-helixtrans-62.2-52.4173-176.4-171.5171.1-169.50111.6W372 Y373 V374 L378 L379 E380 I426 L431W372-K376 PolarHBondContact O-N 2.99Å; Y373-K376 PolarHBondContact O-N 3.04Å; V374-K376 VanDerWaalsContact C-N 3.28Å; V374-K376 PolarHBondContact O-N 2.9Å; K376-L378 VanDerWaalsContact C-N 3.32Å; K376-L378 PolarHBondContact O-N 3.27Å; K376-L379 WeakPolarHBondContact O-CB 3.28Å; K376-L379 PolarHBondContact O-N 3.4Å; K376-E380 PolarHBondContact O-N 3.3Å; K376-I426 HydrophobicContact CB-CD1 4.34Å; K376-I426 HydrophobicContact CD-CG1 4.45Å; K376-L431 HydrophobicContact CB-CD2 4.24Å
377N97.1Very high95.7Very high31 Ų3126.4 Ų26.417%0.16612%0.12CC..Hα-helixtrans-65.3-34-179-76.7-99.9000112.3Y222 Y373 V374 E380 M381 R488Y222-N377 HydrophobicContact CD1-CB 3.51Å; Y222-N377 HydrophobicContact CE1-CB 3.73Å; Y222-N377 HydrophobicContact CG-CB 4.25Å; Y373-N377 PolarHBondContact O-N 3.5Å; Y373-N377 VanDerWaalsContact O-N 3.08Å; Y373-N377 PolarHBondContact O-ND2 2.62Å; V374-N377 PolarHBondContact O-N 2.69Å; V374-N377 VanDerWaalsContact O-N 3.11Å; N377-E380 PolarHBondContact O-N 3.05Å; N377-M381 WeakPolarHBondContact O-CB 3.47Å; N377-M381 PolarHBondContact O-N 2.82Å; N377-R488 PolarHBondContact OD1-NH2 3.19Å
378L96.8Very high95.3Very high0 Ų029 Ų290%013%0.134CC..Hα-helixtrans-72.2-32.1176.9-66.8-172.1000112.7I343 V374 K376 E380 M381 L382 L396 V400 L403I343-L378 HydrophobicContact CD1-CD1 3.94Å; V374-L378 HydrophobicContact CG1-CD1 3.61Å; V374-L378 HydrophobicContact CG1-CG 3.93Å; V374-L378 WeakPolarHBondContact O-CB 3.15Å; V374-L378 WeakPolarHBondContact O-CG 3.34Å; V374-L378 PolarHBondContact O-N 3.1Å; K376-L378 VanDerWaalsContact C-N 3.32Å; K376-L378 PolarHBondContact O-N 3.27Å; L378-E380 VanDerWaalsContact C-N 3.33Å; L378-M381 HydrophobicContact CD2-CE 3.7Å; L378-M381 HydrophobicContact CD2-SD 4.04Å; L378-M381 PolarHBondContact O-N 3.35Å; L378-L382 WeakPolarHBondContact O-CG 3.45Å; L378-L382 PolarHBondContact O-N 3.49Å; L378-L396 HydrophobicContact CD1-CD1 4.43Å; L378-L396 HydrophobicContact CD2-CD1 3.94Å; L378-V400 HydrophobicContact CB-CG2 4Å; L378-V400 HydrophobicContact CD1-CG2 3.6Å; L378-V400 HydrophobicContact CG-CG2 4.39Å; L378-L403 HydrophobicContact CD1-CD2 4.49Å
379L97.3Very high94.9Very high17 Ų1734 Ų349%0.08917%0.17CC..Hα-helixtrans-60.7-44.7170.517859.7000111.5A375 K376 K383 L431 E434 L435 E438A375-L379 PolarHBondContact O-N 3.47Å; A375-L379 VanDerWaalsContact O-N 3.1Å; K376-L379 WeakPolarHBondContact O-CB 3.28Å; K376-L379 PolarHBondContact O-N 3.4Å; L379-K383 HydrophobicContact CD1-CD 4.24Å; L379-K383 HydrophobicContact CG-CD 4.3Å; L379-K383 VanDerWaalsContact O-CG 3.31Å; L379-K383 WeakPolarHBondContact O-CG 3.35Å; L379-K383 PolarHBondContact O-N 3.28Å; L379-K383 VanDerWaalsContact O-N 3.14Å; L379-L431 HydrophobicContact CB-CD1 4.16Å; L379-L431 HydrophobicContact CD2-CD1 3.76Å; L379-E434 HydrophobicContact CD1-CB 3.97Å; L379-E434 HydrophobicContact CD2-CB 3.56Å; L379-E434 HydrophobicContact CD2-CG 4.49Å; L379-E434 HydrophobicContact CG-CB 4.43Å; L379-L435 HydrophobicContact CB-CD2 3.64Å; L379-L435 HydrophobicContact CB-CG 4.02Å; L379-L435 HydrophobicContact CD1-CD2 4.07Å; L379-L435 HydrophobicContact CD1-CG 4.19Å; L379-L435 HydrophobicContact CG-CD2 4.42Å; L379-E438 HydrophobicContact CD1-CB 4.16Å; L379-E438 HydrophobicContact CD1-CG 4.43Å
380E95.6Very high94.5Very high94 Ų9435 Ų3544%0.43918%0.177SC..Hα-helixtrans-66.7-42.5178.3-67.4169.8-154.900110.8K376 N377 L378 L382 K383 E384K376-E380 PolarHBondContact O-N 3.3Å; N377-E380 PolarHBondContact O-N 3.05Å; L378-E380 VanDerWaalsContact C-N 3.33Å; E380-L382 PolarHBondContact O-N 3.38Å; E380-K383 PolarHBondContact O-N 3.33Å; E380-E384 WeakPolarHBondContact O-CG 3.48Å; E380-E384 PolarHBondContact O-N 3.36Å
381M93.5Very high94.1Very high24 Ų2440.3 Ų40.312%0.11821%0.211CC..Hα-helixtrans-59.8-44.8175.5-178.1-179.2-48.400113.3N377 L378 E384 L385 L396N377-M381 WeakPolarHBondContact O-CB 3.47Å; N377-M381 PolarHBondContact O-N 2.82Å; L378-M381 HydrophobicContact CD2-CE 3.7Å; L378-M381 HydrophobicContact CD2-SD 4.04Å; L378-M381 PolarHBondContact O-N 3.35Å; M381-E384 PolarHBondContact O-N 3.2Å; M381-L385 HydrophobicContact CG-CD1 4.04Å; M381-L385 WeakPolarHBondContact O-CB 3.38Å; M381-L385 VanDerWaalsContact O-CG 3.28Å; M381-L385 WeakPolarHBondContact O-CG 3.37Å; M381-L385 PolarHBondContact O-N 3.4Å; M381-L396 HydrophobicContact SD-CD1 4.49Å; M381-L396 HydrophobicContact SD-CD2 3.73Å
382L94.6Very high93.8Very high4 Ų441.3 Ų41.32%0.02122%0.217CC..Hα-helixtrans-66.7-37.9178.1-70.1176.9000111.6L378 E380 L385 R386 P392 L396 V400 E438 I439 L442L378-L382 WeakPolarHBondContact O-CG 3.45Å; L378-L382 PolarHBondContact O-N 3.49Å; E380-L382 PolarHBondContact O-N 3.38Å; L382-L385 PolarHBondContact O-N 2.93Å; L382-R386 PolarHBondContact O-N 2.87Å; L382-P392 HydrophobicContact CD2-CB 3.78Å; L382-P392 HydrophobicContact CD2-CG 4.04Å; L382-L396 HydrophobicContact CD2-CD2 4.24Å; L382-V400 HydrophobicContact CD1-CG1 4.19Å; L382-V400 HydrophobicContact CD1-CG2 4.33Å; L382-E438 HydrophobicContact CB-CG 3.59Å; L382-E438 HydrophobicContact CD1-CG 4.27Å; L382-I439 HydrophobicContact CD1-CD1 4.12Å; L382-L442 HydrophobicContact CD2-CD1 4.27Å
383K94.4Very high93.5Very high53 Ų5343.8 Ų43.823%0.2323%0.234CC..Hα-helixtrans-63.5-46.4174.6-74.1177.1171.2179.60112.2L379 E380 L385 R386 E387 E434 E438L379-K383 HydrophobicContact CD1-CD 4.24Å; L379-K383 HydrophobicContact CG-CD 4.3Å; L379-K383 VanDerWaalsContact O-CG 3.31Å; L379-K383 WeakPolarHBondContact O-CG 3.35Å; L379-K383 PolarHBondContact O-N 3.28Å; L379-K383 VanDerWaalsContact O-N 3.14Å; E380-K383 PolarHBondContact O-N 3.33Å; K383-L385 VanDerWaalsContact C-N 3.29Å; K383-L385 PolarHBondContact O-N 3.44Å; K383-R386 PolarHBondContact O-N 2.75Å; K383-E387 WeakPolarHBondContact O-CB 3.44Å; K383-E387 WeakPolarHBondContact O-CG 3.43Å; K383-E387 PolarHBondContact O-N 3.33Å; K383-E434 IonicContact NZ-OE2 3.39Å; K383-E434 PolarHBondContact NZ-OE2 2.89Å; K383-E438 WeakPolarHBondContact CA-OE1 3.21Å; K383-E438 HydrophobicContact CG-CG 4.34Å; K383-E438 WeakPolarHBondContact CG-OE1 3.41Å
384E93.1Very high93.3Very high21 Ų2148.4 Ų48.410%0.09826%0.263CS..Hα-helixtrans-59.1-39.2173.5-73.4-176.5146.500112E380 M381 E387 D388 R484 R487E380-E384 WeakPolarHBondContact O-CG 3.48Å; E380-E384 PolarHBondContact O-N 3.36Å; M381-E384 PolarHBondContact O-N 3.2Å; E384-E387 PolarHBondContact O-N 3.31Å; E384-D388 WeakPolarHBondContact O-CB 3.28Å; E384-D388 PolarHBondContact O-N 2.98Å; E384-R484 IonicContact OE2-CZ 2.72Å; E384-R484 IonicContact OE2-NE 2.87Å; E384-R484 PolarHBondContact OE2-NE 3.06Å; E384-R484 IonicContact OE2-NH2 2.67Å; E384-R484 PolarHBondContact OE2-NH2 3.13Å; E384-R487 IonicContact OE1-NH2 3.79Å
385L90.4Very high93.1Very high13 Ų1351 Ų517%0.06827%0.273CS..Hα-helixtrans-66.6-42.7178.7-77.7166.4000112.4M381 L382 K383 D388 S389 C390 P392 L396M381-L385 HydrophobicContact CG-CD1 4.04Å; M381-L385 WeakPolarHBondContact O-CB 3.38Å; M381-L385 VanDerWaalsContact O-CG 3.28Å; M381-L385 WeakPolarHBondContact O-CG 3.37Å; M381-L385 PolarHBondContact O-N 3.4Å; L382-L385 PolarHBondContact O-N 2.93Å; K383-L385 VanDerWaalsContact C-N 3.29Å; K383-L385 PolarHBondContact O-N 3.44Å; L385-D388 PolarHBondContact O-N 2.87Å; L385-S389 PolarHBondContact O-N 3.38Å; L385-C390 CarbonylContact C-O 3.37Å; L385-C390 HydrophobicContact CD2-CB 4.05Å; L385-C390 PolarHBondContact O-N 2.97Å; L385-P392 HydrophobicContact CD1-CB 3.94Å; L385-L396 HydrophobicContact CD1-CD2 4.47Å
386R89.9Confident93Very high69 Ų6951.2 Ų51.226%0.2627%0.274SS..Hα-helixtrans-65.7-40.3172.5-173.6-172.458.6-127-32.7111.9L382 K383 D388 S389 E438L382-R386 PolarHBondContact O-N 2.87Å; K383-R386 PolarHBondContact O-N 2.75Å; R386-D388 VanDerWaalsContact C-N 3.34Å; R386-D388 PolarHBondContact O-N 3.1Å; R386-S389 PolarHBondContact O-N 3.21Å; R386-E438 IonicContact CZ-OE1 3.26Å; R386-E438 IonicContact CZ-OE2 2.72Å; R386-E438 IonicContact NE-OE1 3.28Å; R386-E438 IonicContact NH1-OE1 2.7Å; R386-E438 PolarHBondContact NH1-OE1 2.87Å; R386-E438 IonicContact NH1-OE2 3.96Å; R386-E438 PolarHBondContact NH1-OE2 3.07Å; R386-E438 IonicContact NH2-OE1 2.69Å; R386-E438 PolarHBondContact NH2-OE1 2.77Å; R386-E438 IonicContact NH2-OE2 2.82Å; R386-E438 PolarHBondContact NH2-OE2 3.14Å
387E91.3Very high92.9Very high135 Ų13548.4 Ų48.463%0.63126%0.264SS*.Hα-helixtrans-63.1-37.6176.5-75.6170.4-155.600112.4K383 E384 S389K383-E387 WeakPolarHBondContact O-CB 3.44Å; K383-E387 WeakPolarHBondContact O-CG 3.43Å; K383-E387 PolarHBondContact O-N 3.33Å; E384-E387 PolarHBondContact O-N 3.31Å; E387-S389 PolarHBondContact O-N 3.31Å
388D89.2Confident92.8Very high55 Ų5551 Ų5129%0.29428%0.278SS..THydrogen-bonded Turntrans-77.33.4171.8-76.2-26.1000113.3E384 L385 R386 C390 L476 R480 R483E384-D388 WeakPolarHBondContact O-CB 3.28Å; E384-D388 PolarHBondContact O-N 2.98Å; L385-D388 PolarHBondContact O-N 2.87Å; R386-D388 VanDerWaalsContact C-N 3.34Å; R386-D388 PolarHBondContact O-N 3.1Å; D388-C390 HydrophobicContact CB-CB 4.19Å; D388-C390 PolarHBondContact O-N 2.73Å; D388-L476 HydrophobicContact CB-CD2 4.42Å; D388-R480 IonicContact OD2-CZ 2.66Å; D388-R480 IonicContact OD2-NE 2.72Å; D388-R480 PolarHBondContact OD2-NE 2.9Å; D388-R480 IonicContact OD2-NH2 3.69Å; D388-R480 PolarHBondContact OD2-NH2 3.27Å; D388-R483 IonicContact OD1-NH1 3.86Å
389S88.8Confident92.9Very high112 Ų11251.2 Ų51.278%0.78328%0.28SS*.THydrogen-bonded Turntrans51.635.8-173.1-61.10000114.1L385 R386 E387L385-S389 PolarHBondContact O-N 3.38Å; R386-S389 PolarHBondContact O-N 3.21Å; E387-S389 PolarHBondContact O-N 3.31Å
390C87.7Confident92.9Very high21 Ų2150.5 Ų50.514%0.14228%0.276CS..  trans-113.9116.5-172-178.90000110.1L385 D388L385-C390 CarbonylContact C-O 3.37Å; L385-C390 HydrophobicContact CD2-CB 4.05Å; L385-C390 PolarHBondContact O-N 2.97Å; D388-C390 HydrophobicContact CB-CB 4.19Å; D388-C390 PolarHBondContact O-N 2.73Å
391P88.2Confident93Very high110 Ų11050.8 Ų50.871%0.71427%0.273SS*.PPolyproline II helixtrans-63.7136.3179.725.8-33.6000111.2
392P91.8Very high93.3Very high21 Ų2151.4 Ų51.414%0.13628%0.282CS..PPolyproline II helixtrans-70.9152.7174.327.3-32.5000111.8L382 L385 L396 V397 L442L382-P392 HydrophobicContact CD2-CB 3.78Å; L382-P392 HydrophobicContact CD2-CG 4.04Å; L385-P392 HydrophobicContact CD1-CB 3.94Å; P392-L396 HydrophobicContact CB-CD2 4.45Å; P392-V397 HydrophobicContact CB-CG2 4.06Å; P392-V397 HydrophobicContact CG-CG2 3.63Å; P392-L442 HydrophobicContact CG-CD1 3.64Å; P392-L442 HydrophobicContact CG-CD2 3.77Å; P392-L442 HydrophobicContact CG-CG 4.33Å
393P91.7Very high93.5Very high54 Ų5451.3 Ų51.335%0.35128%0.282SS..PPolyproline II helixtrans-60.5145.3171.4-22.433.9000112.6Y395 L396 V397P393-Y395 HydrophobicContact CB-CD1 3.66Å; P393-Y395 HydrophobicContact CB-CE1 3.26Å; P393-Y395 HydrophobicContact CB-CE2 4.47Å; P393-Y395 HydrophobicContact CB-CG 4.41Å; P393-Y395 HydrophobicContact CG-CE1 3.95Å; P393-Y395 PolarHBondContact O-N 3.31Å; P393-L396 HydrophobicContact CB-CB 4.45Å; P393-L396 WeakPolarHBondContact O-CB 3.46Å; P393-L396 PolarHBondContact O-N 3.17Å; P393-V397 PolarHBondContact O-N 2.77Å
394T93.6Very high93.6Very high105 Ų10549.2 Ų49.264%0.64427%0.273SS*.Hα-helixtrans-57.8-46.6-178.445.70000112.7L396 V397 D398T394-L396 PolarHBondContact O-N 2.95Å; T394-L396 VanDerWaalsContact O-N 3.1Å; T394-V397 PolarHBondContact O-N 2.77Å; T394-D398 PolarHBondContact O-N 3.17Å
395Y94.4Very high93.8Very high53 Ų5349.9 Ų49.921%0.20829%0.285CS..Hα-helixtrans-55.3-32.2177.270-100.5000112.8E120 N340 L341 P393 G399E120-Y395 WeakPolarHBondContact CG-OH 3.45Å; N340-Y395 WeakPolarHBondContact O-CD2 3.34Å; L341-Y395 HydrophobicContact CD2-CD2 3.97Å; L341-Y395 HydrophobicContact CD2-CE1 4.24Å; L341-Y395 HydrophobicContact CD2-CE2 3.58Å; L341-Y395 HydrophobicContact CD2-CG 4.49Å; P393-Y395 HydrophobicContact CB-CD1 3.66Å; P393-Y395 HydrophobicContact CB-CE1 3.26Å; P393-Y395 HydrophobicContact CB-CE2 4.47Å; P393-Y395 HydrophobicContact CB-CG 4.41Å; P393-Y395 HydrophobicContact CG-CE1 3.95Å; P393-Y395 PolarHBondContact O-N 3.31Å; Y395-G399 PolarHBondContact O-N 3.04Å
396L95.3Very high94.2Very high6 Ų649.9 Ų49.93%0.03129%0.287CS..Hα-helixtrans-75.5-42.1179.8-168.370.2000111.1N340 L378 M381 L382 L385 P392 P393 T394 V400N340-L396 HydrophobicContact CB-CD1 4.17Å; L378-L396 HydrophobicContact CD1-CD1 4.43Å; L378-L396 HydrophobicContact CD2-CD1 3.94Å; M381-L396 HydrophobicContact SD-CD1 4.49Å; M381-L396 HydrophobicContact SD-CD2 3.73Å; L382-L396 HydrophobicContact CD2-CD2 4.24Å; L385-L396 HydrophobicContact CD1-CD2 4.47Å; P392-L396 HydrophobicContact CB-CD2 4.45Å; P393-L396 HydrophobicContact CB-CB 4.45Å; P393-L396 WeakPolarHBondContact O-CB 3.46Å; P393-L396 PolarHBondContact O-N 3.17Å; T394-L396 PolarHBondContact O-N 2.95Å; T394-L396 VanDerWaalsContact O-N 3.1Å; L396-V400 WeakPolarHBondContact O-CB 3.42Å; L396-V400 VanDerWaalsContact O-CG2 3.26Å; L396-V400 WeakPolarHBondContact O-CG2 3.1Å; L396-V400 PolarHBondContact O-N 3.19Å
397V95.9Very high94.5Very high19 Ų1946.6 Ų46.612%0.11528%0.275CS..Hα-helixtrans-63.2-46.4175.2179.60000110.4P392 P393 T394 V400 R401 I439 L442P392-V397 HydrophobicContact CB-CG2 4.06Å; P392-V397 HydrophobicContact CG-CG2 3.63Å; P393-V397 PolarHBondContact O-N 2.77Å; T394-V397 PolarHBondContact O-N 2.77Å; V397-V400 PolarHBondContact O-N 3.37Å; V397-R401 WeakPolarHBondContact O-CB 3.05Å; V397-R401 PolarHBondContact O-N 3.36Å; V397-I439 HydrophobicContact CG1-CD1 3.9Å; V397-L442 HydrophobicContact CG2-CD1 4.16Å
398D96.4Very high94.7Very high85 Ų8545.5 Ų45.546%0.45527%0.265SS..Hα-helixtrans-68.2-41179.8-64.2-29.7000111.8T394 R401 A402T394-D398 PolarHBondContact O-N 3.17Å; D398-R401 PolarHBondContact O-N 2.93Å; D398-R401 IonicContact OD1-CZ 2.91Å; D398-R401 IonicContact OD1-NH1 3.19Å; D398-R401 PolarHBondContact OD1-NH1 3.16Å; D398-A402 PolarHBondContact O-N 3.41Å
399G97.6Very high94.9Very high5 Ų546.6 Ų46.65%0.05227%0.273CS..Hα-helixtrans-62.4-43173.800000113Y395 A402 L403Y395-G399 PolarHBondContact O-N 3.04Å; G399-A402 PolarHBondContact O-N 3.16Å; G399-L403 WeakPolarHBondContact O-CB 3.4Å; G399-L403 PolarHBondContact O-N 3.28Å
400V98.1Very high95.1Very high2 Ų241.5 Ų41.51%0.01224%0.237CC..Hα-helixtrans-66.7-38173.4170.60000111.3L378 L382 L396 V397 A402 L403 I404 L435 I439L378-V400 HydrophobicContact CB-CG2 4Å; L378-V400 HydrophobicContact CD1-CG2 3.6Å; L378-V400 HydrophobicContact CG-CG2 4.39Å; L382-V400 HydrophobicContact CD1-CG1 4.19Å; L382-V400 HydrophobicContact CD1-CG2 4.33Å; L396-V400 WeakPolarHBondContact O-CB 3.42Å; L396-V400 VanDerWaalsContact O-CG2 3.26Å; L396-V400 WeakPolarHBondContact O-CG2 3.1Å; L396-V400 PolarHBondContact O-N 3.19Å; V397-V400 PolarHBondContact O-N 3.37Å; V400-A402 VanDerWaalsContact C-N 3.34Å; V400-A402 PolarHBondContact O-N 3.02Å; V400-L403 PolarHBondContact O-N 3.16Å; V400-I404 HydrophobicContact CG1-CD1 3.86Å; V400-I404 HydrophobicContact CG1-CG1 4.28Å; V400-I404 VanDerWaalsContact O-CG1 3.24Å; V400-I404 WeakPolarHBondContact O-CG1 3.1Å; V400-I404 PolarHBondContact O-N 2.89Å; V400-L435 HydrophobicContact CG1-CD2 3.95Å; V400-I439 HydrophobicContact CB-CD1 4.05Å; V400-I439 HydrophobicContact CG1-CD1 3.73Å; V400-I439 HydrophobicContact CG1-CG1 3.88Å
401R97.9Very high95.3Very high100 Ų10042 Ų4238%0.37724%0.238SC..Hα-helixtrans-62.3-41.3175.5-162.7-175.4-64.5103.5-5.9111.4V397 D398 G405 E443V397-R401 WeakPolarHBondContact O-CB 3.05Å; V397-R401 PolarHBondContact O-N 3.36Å; D398-R401 PolarHBondContact O-N 2.93Å; D398-R401 IonicContact OD1-CZ 2.91Å; D398-R401 IonicContact OD1-NH1 3.19Å; D398-R401 PolarHBondContact OD1-NH1 3.16Å; R401-G405 PolarHBondContact O-N 3.13Å; R401-E443 IonicContact CZ-OE1 2.81Å; R401-E443 IonicContact NE-OE1 3.89Å; R401-E443 PolarHBondContact NE-OE1 3.37Å; R401-E443 VanDerWaalsContact NE-OE1 3.17Å; R401-E443 IonicContact NH2-OE1 3.77Å; R401-E443 PolarHBondContact NH2-OE1 2.92Å
402A98.4Very high95.3Very high37 Ų3744.1 Ų44.131%0.30624%0.236SC..Hα-helixtrans-63.9-46.1173.300000112.1L347 D398 G399 V400 I404 G405 A406L347-A402 HydrophobicContact CD1-CB 4.16Å; D398-A402 PolarHBondContact O-N 3.41Å; G399-A402 PolarHBondContact O-N 3.16Å; V400-A402 VanDerWaalsContact C-N 3.34Å; V400-A402 PolarHBondContact O-N 3.02Å; A402-I404 PolarHBondContact O-N 3.23Å; A402-G405 WeakPolarHBondContact O-CA 3.34Å; A402-G405 PolarHBondContact O-N 2.86Å; A402-A406 PolarHBondContact O-N 3.39Å
403L98.4Very high95.1Very high1 Ų144.8 Ų44.81%0.00524%0.236CC..Hα-helixtrans-60.4-44.2178.1-174.556.7000112I343 L347 C371 V374 A375 L378 G399 V400 G405 A406 L407I343-L403 HydrophobicContact CG2-CB 4.33Å; L347-L403 HydrophobicContact CD1-CB 4.41Å; L347-L403 HydrophobicContact CD1-CD1 4.45Å; L347-L403 HydrophobicContact CD2-CD1 4.47Å; C371-L403 HydrophobicContact CB-CD1 3.95Å; V374-L403 HydrophobicContact CG1-CD2 4.04Å; A375-L403 HydrophobicContact CB-CD2 3.85Å; A375-L403 HydrophobicContact CB-CG 4.34Å; L378-L403 HydrophobicContact CD1-CD2 4.49Å; G399-L403 WeakPolarHBondContact O-CB 3.4Å; G399-L403 PolarHBondContact O-N 3.28Å; V400-L403 PolarHBondContact O-N 3.16Å; L403-G405 PolarHBondContact O-N 2.87Å; L403-A406 PolarHBondContact O-N 3.1Å; L403-A406 VanDerWaalsContact O-N 3.14Å; L403-L407 HydrophobicContact CD1-CD1 4.42Å; L403-L407 HydrophobicContact CD1-CD2 4.24Å; L403-L407 HydrophobicContact CD1-CG 4.12Å; L403-L407 HydrophobicContact CG-CD1 4.17Å; L403-L407 HydrophobicContact CG-CG 4.3Å; L403-L407 VanDerWaalsContact O-CG 3.28Å; L403-L407 WeakPolarHBondContact O-CG 3.27Å; L403-L407 PolarHBondContact O-N 2.61Å
404I98.3Very high94.4Very high10 Ų1045.2 Ų45.25%0.05123%0.233CC..Hα-helixtrans-56.2-35.7172.4-68.3163.2000111.5V400 A402 R408 L435 I439V400-I404 HydrophobicContact CG1-CD1 3.86Å; V400-I404 HydrophobicContact CG1-CG1 4.28Å; V400-I404 VanDerWaalsContact O-CG1 3.24Å; V400-I404 WeakPolarHBondContact O-CG1 3.1Å; V400-I404 PolarHBondContact O-N 2.89Å; A402-I404 PolarHBondContact O-N 3.23Å; I404-R408 WeakPolarHBondContact O-CB 3.17Å; I404-R408 WeakPolarHBondContact O-CD 3.45Å; I404-R408 WeakPolarHBondContact O-CG 3.48Å; I404-R408 PolarHBondContact O-N 3.36Å; I404-L435 HydrophobicContact CD1-CB 3.84Å; I404-L435 HydrophobicContact CG1-CB 3.88Å; I404-L435 HydrophobicContact CG1-CD1 4.48Å; I404-I439 HydrophobicContact CD1-CG1 3.89Å
405G97.6Very high93.4Very high34 Ų3446.2 Ų46.235%0.35124%0.239SC..Hα-helixtrans-65.8-47.7174.900000113R401 A402 L403 T409R401-G405 PolarHBondContact O-N 3.13Å; A402-G405 WeakPolarHBondContact O-CA 3.34Å; A402-G405 PolarHBondContact O-N 2.86Å; L403-G405 PolarHBondContact O-N 2.87Å; G405-T409 PolarHBondContact O-N 3.49Å; G405-T409 PolarHBondContact O-OG1 3.3Å
406A97.1Very high92.3Very high13 Ų1348.9 Ų48.911%0.10726%0.261CS..Hα-helixtrans-62.5-5317800000112L347 A402 L403 R408 T409 W410L347-A406 HydrophobicContact CD1-CB 4.05Å; L347-A406 HydrophobicContact CD2-CB 3.81Å; L347-A406 HydrophobicContact CG-CB 4.48Å; A402-A406 PolarHBondContact O-N 3.39Å; L403-A406 PolarHBondContact O-N 3.1Å; L403-A406 VanDerWaalsContact O-N 3.14Å; A406-R408 VanDerWaalsContact C-N 3.26Å; A406-R408 PolarHBondContact O-N 2.97Å; A406-T409 WeakPolarHBondContact O-CA 3.24Å; A406-T409 WeakPolarHBondContact O-CB 3.35Å; A406-T409 PolarHBondContact O-N 2.88Å; A406-W410 HydrophobicContact CB-CD2 4.43Å; A406-W410 HydrophobicContact CB-CH2 4.12Å; A406-W410 HydrophobicContact CB-CZ2 3.77Å; A406-W410 PolarHBondContact O-N 2.77Å
407L96.3Very high91.2Very high0 Ų053.2 Ų53.20%028%0.281CS..Hα-helixtrans-57.8-36.4179.8-61.1179.4000113W372 A375 L403 T409 W410 L411 I432W372-L407 HydrophobicContact CD2-CD2 3.69Å; W372-L407 HydrophobicContact CE3-CD1 4Å; W372-L407 HydrophobicContact CE3-CD2 3.76Å; W372-L407 HydrophobicContact CE3-CG 4.36Å; W372-L407 HydrophobicContact CG-CD2 4.31Å; W372-L407 HydrophobicContact CH2-CB 3.8Å; W372-L407 HydrophobicContact CH2-CD1 4.44Å; W372-L407 HydrophobicContact CH2-CD2 3.95Å; W372-L407 HydrophobicContact CH2-CG 4.26Å; W372-L407 HydrophobicContact CZ2-CB 4.33Å; W372-L407 HydrophobicContact CZ2-CD2 3.9Å; W372-L407 HydrophobicContact CZ3-CB 4.03Å; W372-L407 HydrophobicContact CZ3-CD1 3.83Å; W372-L407 HydrophobicContact CZ3-CD2 3.89Å; W372-L407 HydrophobicContact CZ3-CG 4.12Å; A375-L407 HydrophobicContact CB-CD1 3.6Å; L403-L407 HydrophobicContact CD1-CD1 4.42Å; L403-L407 HydrophobicContact CD1-CD2 4.24Å; L403-L407 HydrophobicContact CD1-CG 4.12Å; L403-L407 HydrophobicContact CG-CD1 4.17Å; L403-L407 HydrophobicContact CG-CG 4.3Å; L403-L407 VanDerWaalsContact O-CG 3.28Å; L403-L407 WeakPolarHBondContact O-CG 3.27Å; L403-L407 PolarHBondContact O-N 2.61Å; L407-T409 VanDerWaalsContact C-N 3.26Å; L407-T409 PolarHBondContact O-N 2.97Å; L407-W410 HydrophobicContact CD2-CE3 3.8Å; L407-W410 HydrophobicContact CD2-CZ3 3.74Å; L407-L411 WeakPolarHBondContact O-CB 3.41Å; L407-L411 PolarHBondContact O-N 3.17Å; L407-L411 VanDerWaalsContact O-N 3.08Å; L407-I432 HydrophobicContact CB-CD1 3.95Å; L407-I432 HydrophobicContact CB-CG1 4.02Å; L407-I432 HydrophobicContact CD1-CG1 4.46Å
408R95.8Very high89.6Confident112 Ų11258 Ų5842%0.42331%0.312SS..Hα-helixtrans-71-19.1173.9-76.4174-177.6-1786.7114I404 A406 K412 I432 T436I404-R408 WeakPolarHBondContact O-CB 3.17Å; I404-R408 WeakPolarHBondContact O-CD 3.45Å; I404-R408 WeakPolarHBondContact O-CG 3.48Å; I404-R408 PolarHBondContact O-N 3.36Å; A406-R408 VanDerWaalsContact C-N 3.26Å; A406-R408 PolarHBondContact O-N 2.97Å; R408-K412 WeakPolarHBondContact O-CD 3.25Å; R408-K412 VanDerWaalsContact O-CG 3.32Å; R408-K412 WeakPolarHBondContact O-CG 3.33Å; R408-I432 HydrophobicContact CG-CD1 4.11Å; R408-I432 HydrophobicContact CG-CG2 3.62Å; R408-T436 VanDerWaalsContact NH2-CG2 3.26Å; R408-T436 PolarHBondContact NH2-OG1 2.82Å
409T93.9Very high88Confident78 Ų7858.8 Ų58.848%0.47932%0.32SS..Hα-helixtrans-89.3-46.7179.4-56.80000109.4G405 A406 L407 L411 K412 R413G405-T409 PolarHBondContact O-N 3.49Å; G405-T409 PolarHBondContact O-OG1 3.3Å; A406-T409 WeakPolarHBondContact O-CA 3.24Å; A406-T409 WeakPolarHBondContact O-CB 3.35Å; A406-T409 PolarHBondContact O-N 2.88Å; L407-T409 VanDerWaalsContact C-N 3.26Å; L407-T409 PolarHBondContact O-N 2.97Å; T409-L411 PolarHBondContact O-N 3.37Å; T409-K412 WeakPolarHBondContact O-CB 3.48Å; T409-K412 PolarHBondContact O-N 3.3Å; T409-K412 VanDerWaalsContact O-N 3.08Å; T409-R413 PolarHBondContact O-N 2.78Å
410W93.1Very high86.6Confident5 Ų561 Ų612%0.01934%0.335CS..Hα-helixtrans-62.3-43.2175.5-51.3-22.9000112L347 Y350 E351 F367 E368 C371 A406 L407 K412 R413 E414L347-W410 HydrophobicContact CD2-CH2 3.71Å; L347-W410 HydrophobicContact CD2-CZ2 3.84Å; Y350-W410 AromaticContact CD1-CZ2 3.9Å; Y350-W410 HydrophobicContact CD1-CZ2 3.9Å; Y350-W410 AromaticContact CE1-CZ2 3.85Å; Y350-W410 HydrophobicContact CE1-CZ2 3.85Å; E351-W410 PolarHBondContact OE1-NE1 3.41Å; F367-W410 HydrophobicContact CD1-CH2 4.38Å; F367-W410 HydrophobicContact CE1-CH2 4.19Å; F367-W410 HydrophobicContact CE1-CZ2 4.46Å; E368-W410 HydrophobicContact CB-CE3 3.82Å; E368-W410 HydrophobicContact CB-CH2 4.31Å; E368-W410 HydrophobicContact CB-CZ3 3.71Å; E368-W410 HydrophobicContact CG-CD2 3.87Å; E368-W410 HydrophobicContact CG-CE3 3.65Å; E368-W410 HydrophobicContact CG-CH2 3.84Å; E368-W410 HydrophobicContact CG-CZ2 4.04Å; E368-W410 HydrophobicContact CG-CZ3 3.64Å; E368-W410 PolarHBondContact OE1-NE1 2.85Å; C371-W410 HydrophobicContact CB-CH2 3.87Å; C371-W410 HydrophobicContact CB-CZ3 3.65Å; A406-W410 HydrophobicContact CB-CD2 4.43Å; A406-W410 HydrophobicContact CB-CH2 4.12Å; A406-W410 HydrophobicContact CB-CZ2 3.77Å; A406-W410 PolarHBondContact O-N 2.77Å; L407-W410 HydrophobicContact CD2-CE3 3.8Å; L407-W410 HydrophobicContact CD2-CZ3 3.74Å; W410-K412 PolarHBondContact O-N 2.9Å; W410-K412 VanDerWaalsContact O-N 3.14Å; W410-R413 CarbonylContact O-C 3.27Å; W410-R413 WeakPolarHBondContact O-CA 3.47Å; W410-R413 WeakPolarHBondContact O-CB 3.3Å; W410-R413 PolarHBondContact O-N 2.87Å; W410-E414 PolarHBondContact O-N 2.85Å
411L90.9Very high86Confident31 Ų3163.1 Ų63.116%0.16235%0.345CS..Hα-helixtrans-64.7-16174.3-176.261.1000114.2L407 T409 E414 P428 I432L407-L411 WeakPolarHBondContact O-CB 3.41Å; L407-L411 PolarHBondContact O-N 3.17Å; L407-L411 VanDerWaalsContact O-N 3.08Å; T409-L411 PolarHBondContact O-N 3.37Å; L411-E414 VanDerWaalsContact CD1-OE2 3.27Å; L411-E414 WeakPolarHBondContact CD1-OE2 3.46Å; L411-P428 HydrophobicContact CD1-CB 3.85Å; L411-P428 HydrophobicContact CD1-CG 4.43Å; L411-P428 HydrophobicContact CD2-CB 3.77Å; L411-P428 HydrophobicContact CG-CB 4.41Å; L411-I432 HydrophobicContact CD2-CD1 3.7Å
412K89.1Confident85.7Confident155 Ų15559.6 Ų59.667%0.67433%0.334SS*.Hα-helixtrans-86.6-41167.7-70.4169.9-178.3179.40111.3R408 T409 W410 E414 V415R408-K412 WeakPolarHBondContact O-CD 3.25Å; R408-K412 VanDerWaalsContact O-CG 3.32Å; R408-K412 WeakPolarHBondContact O-CG 3.33Å; T409-K412 WeakPolarHBondContact O-CB 3.48Å; T409-K412 PolarHBondContact O-N 3.3Å; T409-K412 VanDerWaalsContact O-N 3.08Å; W410-K412 PolarHBondContact O-N 2.9Å; W410-K412 VanDerWaalsContact O-N 3.14Å; K412-E414 VanDerWaalsContact C-N 3.29Å; K412-E414 PolarHBondContact O-N 3.11Å; K412-V415 WeakPolarHBondContact O-CB 3.46Å; K412-V415 PolarHBondContact O-N 3.46Å
413R86.3Confident85.4Confident35 Ų3557.9 Ų57.913%0.13232%0.32CS..Hα-helixtrans-60.2-38.6177-168.7-170.271.6-133.7-9.6111.6R354 E368 T409 W410 V415 T416 E417R354-R413 VanDerWaalsContact NH2-CD 3.28Å; E368-R413 IonicContact OE1-CZ 3.19Å; E368-R413 VanDerWaalsContact OE1-CZ 3.24Å; E368-R413 IonicContact OE1-NH1 2.81Å; E368-R413 PolarHBondContact OE1-NH1 3.24Å; E368-R413 IonicContact OE1-NH2 3.08Å; E368-R413 PolarHBondContact OE1-NH2 3.02Å; E368-R413 IonicContact OE2-CZ 2.86Å; E368-R413 IonicContact OE2-NH1 3.31Å; E368-R413 IonicContact OE2-NH2 2.57Å; E368-R413 PolarHBondContact OE2-NH2 3.42Å; T409-R413 PolarHBondContact O-N 2.78Å; W410-R413 CarbonylContact O-C 3.27Å; W410-R413 WeakPolarHBondContact O-CA 3.47Å; W410-R413 WeakPolarHBondContact O-CB 3.3Å; W410-R413 PolarHBondContact O-N 2.87Å; R413-V415 PolarHBondContact O-N 2.78Å; R413-V415 VanDerWaalsContact O-N 3.11Å; R413-T416 CarbonylContact O-C 3.48Å; R413-T416 PolarHBondContact O-N 2.66Å; R413-T416 PolarHBondContact O-OG1 2.96Å; R413-E417 WeakPolarHBondContact CD-OE2 3.44Å; R413-E417 HydrophobicContact CG-CB 4.28Å; R413-E417 HydrophobicContact CG-CG 4.45Å; R413-E417 WeakPolarHBondContact CG-OE2 3.38Å; R413-E417 IonicContact NE-OE2 2.68Å; R413-E417 PolarHBondContact O-N 2.84Å
414E78.2Confident84.8Confident63 Ų6364.6 Ų64.629%0.29436%0.356SS..THydrogen-bonded Turntrans-54.5-28.3175.4-172.5-179.4-167.700113.5W410 L411 K412 T416 E417 S420W410-E414 PolarHBondContact O-N 2.85Å; L411-E414 VanDerWaalsContact CD1-OE2 3.27Å; L411-E414 WeakPolarHBondContact CD1-OE2 3.46Å; K412-E414 VanDerWaalsContact C-N 3.29Å; K412-E414 PolarHBondContact O-N 3.11Å; E414-T416 VanDerWaalsContact C-N 3.28Å; E414-T416 PolarHBondContact O-N 2.91Å; E414-E417 WeakPolarHBondContact CA-O 3.48Å; E414-S420 VanDerWaalsContact CD-OG 3.31Å; E414-S420 VanDerWaalsContact OE1-CB 3.25Å; E414-S420 WeakPolarHBondContact OE1-CB 3.36Å; E414-S420 PolarHBondContact OE1-OG 2.61Å
415V72.4Confident84.3Confident126 Ų12667.8 Ų67.876%0.76437%0.374SS*.THydrogen-bonded Turntrans-73-21.3177.3-1730000112.3K412 R413K412-V415 WeakPolarHBondContact O-CB 3.46Å; K412-V415 PolarHBondContact O-N 3.46Å; R413-V415 PolarHBondContact O-N 2.78Å; R413-V415 VanDerWaalsContact O-N 3.11Å
416T72.1Confident84Confident110 Ų11066.8 Ų66.868%0.67536%0.36SS*.THydrogen-bonded Turntrans-111.2-27.5179.647.10000113.6R413 E414R413-T416 CarbonylContact O-C 3.48Å; R413-T416 PolarHBondContact O-N 2.66Å; R413-T416 PolarHBondContact O-OG1 2.96Å; E414-T416 VanDerWaalsContact C-N 3.28Å; E414-T416 PolarHBondContact O-N 2.91Å
417E71.8Confident83.9Confident96 Ų9675 Ų7545%0.44939%0.388SS..SBendtrans-134.293.6-175.8-63.7174.9170.500108.1R413 E414 T419R413-E417 WeakPolarHBondContact CD-OE2 3.44Å; R413-E417 HydrophobicContact CG-CB 4.28Å; R413-E417 HydrophobicContact CG-CG 4.45Å; R413-E417 WeakPolarHBondContact CG-OE2 3.38Å; R413-E417 IonicContact NE-OE2 2.68Å; R413-E417 PolarHBondContact O-N 2.84Å; E414-E417 WeakPolarHBondContact CA-O 3.48Å; E417-T419 PolarHBondContact O-N 3.04Å
418P62.1Low83.8Confident119 Ų11976 Ų7677%0.77340%0.395SS*.  trans-79.954.2-171.233-36.8000113.3
419T62.6Low83.8Confident102 Ų10276.6 Ų76.663%0.62641%0.406SS*.  trans-103.972.8170.857.80000108.9E417 E421E417-T419 PolarHBondContact O-N 3.04Å; T419-E421 PolarHBondContact O-N 3.49Å
420S68Low83.9Confident51 Ų5177.7 Ų77.736%0.35741%0.406SS..  trans-86.6107.5-170.3-163.10000112.4E414 V422E414-S420 VanDerWaalsContact CD-OG 3.31Å; E414-S420 VanDerWaalsContact OE1-CB 3.25Å; E414-S420 WeakPolarHBondContact OE1-CB 3.36Å; E414-S420 PolarHBondContact OE1-OG 2.61Å; S420-V422 PolarHBondContact O-N 2.81Å; S420-V422 WeakPolarHBondContact OG-CB 3.46Å; S420-V422 VanDerWaalsContact OG-CG2 3.25Å; S420-V422 WeakPolarHBondContact OG-CG2 3.49Å; S420-V422 PolarHBondContact OG-N 2.64Å
421E86.6Confident84.1Confident47 Ų4778 Ų7822%0.2241%0.408CS..  trans-81.818.2165.9-79.1-170.6-15500112.6Y366 F367 E368 A369 T419 P423Y366-E421 VanDerWaalsContact CA-OE2 3.24Å; Y366-E421 WeakPolarHBondContact CA-OE2 3.22Å; F367-E421 PolarHBondContact N-OE2 3.07Å; E368-E421 WeakPolarHBondContact CA-OE2 3.19Å; E368-E421 HydrophobicContact CB-CB 3.88Å; E368-E421 WeakPolarHBondContact CB-OE2 3.29Å; E368-E421 PolarHBondContact N-OE2 2.84Å; A369-E421 VanDerWaalsContact CA-O 3.31Å; A369-E421 WeakPolarHBondContact CA-O 3.29Å; A369-E421 HydrophobicContact CB-CB 4.26Å; A369-E421 WeakPolarHBondContact CB-O 3.38Å; A369-E421 PolarHBondContact N-OE2 3.18Å; T419-E421 PolarHBondContact O-N 3.49Å; E421-P423 VanDerWaalsContact O-CD 3.27Å; E421-P423 WeakPolarHBondContact O-CD 3.29Å
422V91Very high84.4Confident26 Ų2677.1 Ų77.116%0.15840%0.403CS..  trans-72.4121.7176.3176.10000109.5W372 S420 P428W372-V422 HydrophobicContact CZ2-CG2 3.98Å; S420-V422 PolarHBondContact O-N 2.81Å; S420-V422 WeakPolarHBondContact OG-CB 3.46Å; S420-V422 VanDerWaalsContact OG-CG2 3.25Å; S420-V422 WeakPolarHBondContact OG-CG2 3.49Å; S420-V422 PolarHBondContact OG-N 2.64Å; V422-P428 HydrophobicContact CB-CG 4.43Å; V422-P428 HydrophobicContact CG1-CG 3.46Å; V422-P428 VanDerWaalsContact CG1-CG 3.46Å; V422-P428 HydrophobicContact CG2-CG 4.02Å
423P91.4Very high84.8Confident2 Ų276.7 Ų76.71%0.01340%0.401CS..  trans-69.2138.6175.6-22.235.9000113F229 A369 W372 Y373 E421 N425 I426F229-P423 HydrophobicContact CE2-CG 4.42Å; A369-P423 HydrophobicContact CB-CG 4.42Å; W372-P423 HydrophobicContact CB-CG 4.14Å; Y373-P423 HydrophobicContact CD1-CB 4.42Å; Y373-P423 HydrophobicContact CD1-CG 4.14Å; Y373-P423 HydrophobicContact CD2-CG 4.39Å; Y373-P423 HydrophobicContact CE1-CB 3.54Å; Y373-P423 HydrophobicContact CE1-CG 3.63Å; Y373-P423 HydrophobicContact CE2-CB 4.43Å; Y373-P423 HydrophobicContact CE2-CG 3.93Å; Y373-P423 HydrophobicContact CG-CG 4.5Å; Y373-P423 WeakPolarHBondContact OH-CB 3.31Å; E421-P423 VanDerWaalsContact O-CD 3.27Å; E421-P423 WeakPolarHBondContact O-CD 3.29Å; P423-N425 PolarHBondContact O-N 2.79Å; P423-I426 HydrophobicContact CB-CD1 4.35Å; P423-I426 HydrophobicContact CG-CD1 4.15Å; P423-I426 WeakPolarHBondContact O-CB 3.25Å; P423-I426 PolarHBondContact O-N 3.32Å
424D86.2Confident85.4Confident141 Ų14176.8 Ų76.875%0.75440%0.403SS*.THydrogen-bonded Turntrans-52.7-33.9-176.8-64.1-44.7000114.5I426D424-I426 PolarHBondContact O-N 3.13Å
425N88.1Confident86.3Confident78 Ų7873.9 Ų73.942%0.41739%0.389SS..THydrogen-bonded Turntrans-81.33.2-179.469.911.4000113.9P423P423-N425 PolarHBondContact O-N 2.79Å
426I91.9Very high87.5Confident13 Ų1369 Ų697%0.06736%0.36CS..  trans-110.2145.7178.5-72.4176.6000110.9W372 Y373 K376 P423 D424 P428 L431W372-I426 HydrophobicContact CB-CD1 3.76Å; W372-I426 HydrophobicContact CE3-CG2 3.98Å; W372-I426 WeakPolarHBondContact O-CD1 3.4Å; Y373-I426 HydrophobicContact CD1-CD1 3.86Å; Y373-I426 HydrophobicContact CE1-CD1 4.3Å; K376-I426 HydrophobicContact CB-CD1 4.34Å; K376-I426 HydrophobicContact CD-CG1 4.45Å; P423-I426 HydrophobicContact CB-CD1 4.35Å; P423-I426 HydrophobicContact CG-CD1 4.15Å; P423-I426 WeakPolarHBondContact O-CB 3.25Å; P423-I426 PolarHBondContact O-N 3.32Å; D424-I426 PolarHBondContact O-N 3.13Å; I426-P428 WeakPolarHBondContact O-CD 3.23Å; I426-L431 HydrophobicContact CG2-CD2 3.8Å
427R94.4Very high88.7Confident185 Ų18568.1 Ų68.170%0.69835%0.347SS*.  trans-117.789.1177.8-65179.668.2-159.81109N429 H430 L431R427-N429 PolarHBondContact O-N 2.88Å; R427-H430 HydrophobicContact CB-CB 3.98Å; R427-H430 WeakPolarHBondContact O-CA 3.42Å; R427-H430 WeakPolarHBondContact O-CB 2.94Å; R427-H430 PolarHBondContact O-N 3.45Å; R427-L431 PolarHBondContact O-N 2.83Å
428P94.1Very high89.8Confident21 Ų2163.7 Ų63.714%0.13633%0.326CS..Hα-helixtrans-45.5-57.3-167.2-3637.9000115.2W372 L411 V422 I426 H430 L431 I432W372-P428 HydrophobicContact CH2-CB 3.57Å; W372-P428 HydrophobicContact CH2-CG 4.07Å; W372-P428 HydrophobicContact CZ2-CB 4.28Å; W372-P428 HydrophobicContact CZ2-CG 4.39Å; W372-P428 HydrophobicContact CZ3-CB 3.86Å; W372-P428 HydrophobicContact CZ3-CG 4.28Å; L411-P428 HydrophobicContact CD1-CB 3.85Å; L411-P428 HydrophobicContact CD1-CG 4.43Å; L411-P428 HydrophobicContact CD2-CB 3.77Å; L411-P428 HydrophobicContact CG-CB 4.41Å; V422-P428 HydrophobicContact CB-CG 4.43Å; V422-P428 HydrophobicContact CG1-CG 3.46Å; V422-P428 VanDerWaalsContact CG1-CG 3.46Å; V422-P428 HydrophobicContact CG2-CG 4.02Å; I426-P428 WeakPolarHBondContact O-CD 3.23Å; P428-H430 PolarHBondContact O-N 3.41Å; P428-L431 PolarHBondContact O-N 3.06Å; P428-I432 WeakPolarHBondContact O-CB 3.44Å; P428-I432 WeakPolarHBondContact O-CG1 3.4Å; P428-I432 PolarHBondContact O-N 3.1Å
429N95Very high91.3Very high125 Ų12558.4 Ų58.467%0.66829%0.291SS*.Hα-helixtrans-60.5-29.2-179.9-78.2-71.3000113.9R427 K433R427-N429 PolarHBondContact O-N 2.88Å; N429-K433 VanDerWaalsContact O-CB 3.28Å; N429-K433 WeakPolarHBondContact O-CB 3.47Å; N429-K433 PolarHBondContact O-N 2.74Å
430H96.7Very high92.8Very high100 Ų10060.7 Ų60.746%0.46329%0.289SS..Hα-helixtrans-78.4-46.8176.8-177.7-90.9000111.2R427 P428 K433 E434R427-H430 HydrophobicContact CB-CB 3.98Å; R427-H430 WeakPolarHBondContact O-CA 3.42Å; R427-H430 WeakPolarHBondContact O-CB 2.94Å; R427-H430 PolarHBondContact O-N 3.45Å; P428-H430 PolarHBondContact O-N 3.41Å; H430-K433 PolarHBondContact O-N 2.95Å; H430-E434 PolarHBondContact O-N 3.02Å
431L97.5Very high93.8Very high12 Ų1262.3 Ų62.36%0.06329%0.287CS..Hα-helixtrans-61.6-48.7179.3177.653.1000111.5W372 A375 K376 L379 I426 R427 P428 K433 E434 L435W372-L431 HydrophobicContact CE3-CD2 4.14Å; A375-L431 HydrophobicContact CB-CD2 4.05Å; A375-L431 HydrophobicContact CB-CG 4.49Å; K376-L431 HydrophobicContact CB-CD2 4.24Å; L379-L431 HydrophobicContact CB-CD1 4.16Å; L379-L431 HydrophobicContact CD2-CD1 3.76Å; I426-L431 HydrophobicContact CG2-CD2 3.8Å; R427-L431 PolarHBondContact O-N 2.83Å; P428-L431 PolarHBondContact O-N 3.06Å; L431-K433 VanDerWaalsContact C-N 3.3Å; L431-K433 PolarHBondContact O-N 3Å; L431-E434 PolarHBondContact O-N 2.84Å; L431-L435 HydrophobicContact CD1-CD1 3.75Å; L431-L435 HydrophobicContact CD1-CG 4.06Å; L431-L435 HydrophobicContact CG-CD1 3.95Å; L431-L435 WeakPolarHBondContact O-CB 3.18Å; L431-L435 WeakPolarHBondContact O-CG 3.08Å; L431-L435 PolarHBondContact O-N 2.74Å
432I97.6Very high93.8Very high13 Ų1361.3 Ų61.37%0.06728%0.284CS..Hα-helixtrans-57.2-43.4175.1-69.5169.4000111W372 L407 R408 L411 P428 T436W372-I432 HydrophobicContact CH2-CD1 4.02Å; W372-I432 HydrophobicContact CH2-CG1 4.49Å; W372-I432 HydrophobicContact CZ3-CD1 4.34Å; W372-I432 HydrophobicContact CZ3-CG1 4.32Å; L407-I432 HydrophobicContact CB-CD1 3.95Å; L407-I432 HydrophobicContact CB-CG1 4.02Å; L407-I432 HydrophobicContact CD1-CG1 4.46Å; R408-I432 HydrophobicContact CG-CD1 4.11Å; R408-I432 HydrophobicContact CG-CG2 3.62Å; L411-I432 HydrophobicContact CD2-CD1 3.7Å; P428-I432 WeakPolarHBondContact O-CB 3.44Å; P428-I432 WeakPolarHBondContact O-CG1 3.4Å; P428-I432 PolarHBondContact O-N 3.1Å; I432-T436 VanDerWaalsContact O-CB 3.32Å; I432-T436 WeakPolarHBondContact O-CB 3.23Å; I432-T436 PolarHBondContact O-N 2.9Å; I432-T436 PolarHBondContact O-OG1 2.84Å
433K97.9Very high93.4Very high145 Ų14563.7 Ų63.763%0.6329%0.293SS*.Hα-helixtrans-64.3-47.6-179.9-179.9-176.2174.9-173.40111.7N429 H430 L431 T436 K437N429-K433 VanDerWaalsContact O-CB 3.28Å; N429-K433 WeakPolarHBondContact O-CB 3.47Å; N429-K433 PolarHBondContact O-N 2.74Å; H430-K433 PolarHBondContact O-N 2.95Å; L431-K433 VanDerWaalsContact C-N 3.3Å; L431-K433 PolarHBondContact O-N 3Å; K433-T436 PolarHBondContact O-N 3.37Å; K433-K437 WeakPolarHBondContact O-CB 3.35Å; K433-K437 PolarHBondContact O-N 3.43Å
434E98.1Very high92.9Very high38 Ų3869.5 Ų69.518%0.17832%0.32CS..Hα-helixtrans-66.6-41.9-179.6-75.5-70.7104.500111.8L379 K383 H430 L431 T436 K437 E438L379-E434 HydrophobicContact CD1-CB 3.97Å; L379-E434 HydrophobicContact CD2-CB 3.56Å; L379-E434 HydrophobicContact CD2-CG 4.49Å; L379-E434 HydrophobicContact CG-CB 4.43Å; K383-E434 IonicContact NZ-OE2 3.39Å; K383-E434 PolarHBondContact NZ-OE2 2.89Å; H430-E434 PolarHBondContact O-N 3.02Å; L431-E434 PolarHBondContact O-N 2.84Å; E434-T436 PolarHBondContact O-N 3.27Å; E434-K437 WeakPolarHBondContact O-CB 3.47Å; E434-K437 PolarHBondContact O-N 2.63Å; E434-E438 WeakPolarHBondContact O-CB 3.36Å; E434-E438 PolarHBondContact O-N 3.37Å
435L97.4Very high92Very high1 Ų168.3 Ų68.31%0.00531%0.31CS..Hα-helixtrans-60.3-43.5172-78.3166.7000112.3A375 L379 V400 I404 L431 K437 E438 I439A375-L435 HydrophobicContact CB-CD1 3.9Å; L379-L435 HydrophobicContact CB-CD2 3.64Å; L379-L435 HydrophobicContact CB-CG 4.02Å; L379-L435 HydrophobicContact CD1-CD2 4.07Å; L379-L435 HydrophobicContact CD1-CG 4.19Å; L379-L435 HydrophobicContact CG-CD2 4.42Å; V400-L435 HydrophobicContact CG1-CD2 3.95Å; I404-L435 HydrophobicContact CD1-CB 3.84Å; I404-L435 HydrophobicContact CG1-CB 3.88Å; I404-L435 HydrophobicContact CG1-CD1 4.48Å; L431-L435 HydrophobicContact CD1-CD1 3.75Å; L431-L435 HydrophobicContact CD1-CG 4.06Å; L431-L435 HydrophobicContact CG-CD1 3.95Å; L431-L435 WeakPolarHBondContact O-CB 3.18Å; L431-L435 WeakPolarHBondContact O-CG 3.08Å; L431-L435 PolarHBondContact O-N 2.74Å; L435-K437 VanDerWaalsContact C-N 3.27Å; L435-K437 PolarHBondContact O-N 3.45Å; L435-E438 PolarHBondContact O-N 3.44Å; L435-I439 WeakPolarHBondContact O-CG1 3.26Å; L435-I439 PolarHBondContact O-N 2.8Å
436T97.4Very high90.7Very high25 Ų2572.1 Ų72.115%0.15333%0.325CS..Hα-helixtrans-61.6-37.2175.8-55.80000111.6R408 I432 K433 E434 R440R408-T436 VanDerWaalsContact NH2-CG2 3.26Å; R408-T436 PolarHBondContact NH2-OG1 2.82Å; I432-T436 VanDerWaalsContact O-CB 3.32Å; I432-T436 WeakPolarHBondContact O-CB 3.23Å; I432-T436 PolarHBondContact O-N 2.9Å; I432-T436 PolarHBondContact O-OG1 2.84Å; K433-T436 PolarHBondContact O-N 3.37Å; E434-T436 PolarHBondContact O-N 3.27Å; T436-R440 WeakPolarHBondContact O-CG 3.45Å; T436-R440 PolarHBondContact O-N 3.22Å
437K96.4Very high89Confident91 Ų9176.7 Ų76.740%0.39635%0.354SS..Hα-helixtrans-68.8-42.5177.4-167.4-160.8179.7-144.40111.1K433 E434 L435 R440 Y441K433-K437 WeakPolarHBondContact O-CB 3.35Å; K433-K437 PolarHBondContact O-N 3.43Å; E434-K437 WeakPolarHBondContact O-CB 3.47Å; E434-K437 PolarHBondContact O-N 2.63Å; L435-K437 VanDerWaalsContact C-N 3.27Å; L435-K437 PolarHBondContact O-N 3.45Å; K437-R440 PolarHBondContact O-N 2.8Å; K437-Y441 HydrophobicContact CD-CE2 3.94Å; K437-Y441 VanDerWaalsContact CE-CE2 3.49Å; K437-Y441 WeakPolarHBondContact CE-OH 3.41Å; K437-Y441 HydrophobicContact CG-CD2 4.36Å; K437-Y441 HydrophobicContact CG-CE2 3.8Å; K437-Y441 PolarHBondContact NZ-OH 2.83Å; K437-Y441 VanDerWaalsContact NZ-OH 3.08Å; K437-Y441 WeakPolarHBondContact O-CD2 3.17Å; K437-Y441 PolarHBondContact O-N 3.36Å
438E95.3Very high87Confident3 Ų372 Ų721%0.01435%0.349CS..Hα-helixtrans-64.9-44.2-179.2-155.764.6-16300112L379 L382 K383 R386 E434 L435 R440 Y441L379-E438 HydrophobicContact CD1-CB 4.16Å; L379-E438 HydrophobicContact CD1-CG 4.43Å; L382-E438 HydrophobicContact CB-CG 3.59Å; L382-E438 HydrophobicContact CD1-CG 4.27Å; K383-E438 WeakPolarHBondContact CA-OE1 3.21Å; K383-E438 HydrophobicContact CG-CG 4.34Å; K383-E438 WeakPolarHBondContact CG-OE1 3.41Å; R386-E438 IonicContact CZ-OE1 3.26Å; R386-E438 IonicContact CZ-OE2 2.72Å; R386-E438 IonicContact NE-OE1 3.28Å; R386-E438 IonicContact NH1-OE1 2.7Å; R386-E438 PolarHBondContact NH1-OE1 2.87Å; R386-E438 IonicContact NH1-OE2 3.96Å; R386-E438 PolarHBondContact NH1-OE2 3.07Å; R386-E438 IonicContact NH2-OE1 2.69Å; R386-E438 PolarHBondContact NH2-OE1 2.77Å; R386-E438 IonicContact NH2-OE2 2.82Å; R386-E438 PolarHBondContact NH2-OE2 3.14Å; E434-E438 WeakPolarHBondContact O-CB 3.36Å; E434-E438 PolarHBondContact O-N 3.37Å; L435-E438 PolarHBondContact O-N 3.44Å; E438-R440 VanDerWaalsContact C-N 3.35Å; E438-R440 PolarHBondContact O-N 3.5Å; E438-Y441 PolarHBondContact O-N 3.1Å
439I94.8Very high84.8Confident7 Ų774.3 Ų74.34%0.03638%0.376CS..Hα-helixtrans-61.6-40.4174.7-66.7-69.6000111.9L382 V397 V400 I404 L435 Y441 L442 E443L382-I439 HydrophobicContact CD1-CD1 4.12Å; V397-I439 HydrophobicContact CG1-CD1 3.9Å; V400-I439 HydrophobicContact CB-CD1 4.05Å; V400-I439 HydrophobicContact CG1-CD1 3.73Å; V400-I439 HydrophobicContact CG1-CG1 3.88Å; I404-I439 HydrophobicContact CD1-CG1 3.89Å; L435-I439 WeakPolarHBondContact O-CG1 3.26Å; L435-I439 PolarHBondContact O-N 2.8Å; I439-Y441 PolarHBondContact O-N 3.3Å; I439-L442 WeakPolarHBondContact O-CB 3.47Å; I439-L442 PolarHBondContact O-N 2.94Å; I439-E443 WeakPolarHBondContact O-CG 3.44Å; I439-E443 PolarHBondContact O-N 3.11Å; I439-E443 VanDerWaalsContact O-N 3.16Å
440R93.1Very high82.1Confident151 Ų15173 Ų7357%0.5738%0.377SS*.Hα-helixtrans-63.9-37.9178.4-77.9176.6175.6-166.1-3.8113.6T436 K437 E438 L442 E443 E444T436-R440 WeakPolarHBondContact O-CG 3.45Å; T436-R440 PolarHBondContact O-N 3.22Å; K437-R440 PolarHBondContact O-N 2.8Å; E438-R440 VanDerWaalsContact C-N 3.35Å; E438-R440 PolarHBondContact O-N 3.5Å; R440-L442 VanDerWaalsContact C-N 3.27Å; R440-L442 PolarHBondContact O-N 3.3Å; R440-E443 PolarHBondContact O-N 3.26Å; R440-E444 WeakPolarHBondContact O-CB 3.28Å; R440-E444 WeakPolarHBondContact O-CG 3.46Å; R440-E444 PolarHBondContact O-N 2.89Å
441Y89.4Confident79.1Confident84 Ų8476.3 Ų76.333%0.32939%0.39SS..Hα-helixtrans-59.7-40.8175.9-76.8-59.8000111.9K437 E438 I439 E444 E445K437-Y441 HydrophobicContact CD-CE2 3.94Å; K437-Y441 VanDerWaalsContact CE-CE2 3.49Å; K437-Y441 WeakPolarHBondContact CE-OH 3.41Å; K437-Y441 HydrophobicContact CG-CD2 4.36Å; K437-Y441 HydrophobicContact CG-CE2 3.8Å; K437-Y441 PolarHBondContact NZ-OH 2.83Å; K437-Y441 VanDerWaalsContact NZ-OH 3.08Å; K437-Y441 WeakPolarHBondContact O-CD2 3.17Å; K437-Y441 PolarHBondContact O-N 3.36Å; E438-Y441 PolarHBondContact O-N 3.1Å; I439-Y441 PolarHBondContact O-N 3.3Å; Y441-E444 PolarHBondContact O-N 3.19Å; Y441-E445 WeakPolarHBondContact O-CB 3.41Å; Y441-E445 WeakPolarHBondContact O-CG 3.45Å; Y441-E445 PolarHBondContact O-N 3.35Å
442L86.7Confident76.3Confident27 Ų2781.9 Ų81.914%0.14143%0.427CS..Hα-helixtrans-65.6-40.4177.9-60.5167.1000111.6L382 P392 V397 I439 R440 Q446L382-L442 HydrophobicContact CD2-CD1 4.27Å; P392-L442 HydrophobicContact CG-CD1 3.64Å; P392-L442 HydrophobicContact CG-CD2 3.77Å; P392-L442 HydrophobicContact CG-CG 4.33Å; V397-L442 HydrophobicContact CG2-CD1 4.16Å; I439-L442 WeakPolarHBondContact O-CB 3.47Å; I439-L442 PolarHBondContact O-N 2.94Å; R440-L442 VanDerWaalsContact C-N 3.27Å; R440-L442 PolarHBondContact O-N 3.3Å; L442-Q446 VanDerWaalsContact O-CB 3.26Å; L442-Q446 WeakPolarHBondContact O-CB 3.44Å; L442-Q446 PolarHBondContact O-N 2.74Å; L442-Q446 VanDerWaalsContact O-N 3.16Å
443E82.3Confident73.3Confident75 Ų7587.8 Ų87.835%0.3546%0.464SS..Hα-helixtrans-66.4-39175.7-67.8169.9167.400111.4R401 I439 R440 V447R401-E443 IonicContact CZ-OE1 2.81Å; R401-E443 IonicContact NE-OE1 3.89Å; R401-E443 PolarHBondContact NE-OE1 3.37Å; R401-E443 VanDerWaalsContact NE-OE1 3.17Å; R401-E443 IonicContact NH2-OE1 3.77Å; R401-E443 PolarHBondContact NH2-OE1 2.92Å; I439-E443 WeakPolarHBondContact O-CG 3.44Å; I439-E443 PolarHBondContact O-N 3.11Å; I439-E443 VanDerWaalsContact O-N 3.16Å; R440-E443 PolarHBondContact O-N 3.26Å; E443-V447 WeakPolarHBondContact O-CG2 3.46Å; E443-V447 PolarHBondContact O-N 2.9Å
444E80.3Confident70.4Confident125 Ų12590.5 Ų90.558%0.58448%0.476SS*.Hα-helixtrans-71-42.7177.7-73.1170.6-15900113.1R440 Y441 V447 S448R440-E444 WeakPolarHBondContact O-CB 3.28Å; R440-E444 WeakPolarHBondContact O-CG 3.46Å; R440-E444 PolarHBondContact O-N 2.89Å; Y441-E444 PolarHBondContact O-N 3.19Å; E444-V447 PolarHBondContact O-N 3.41Å; E444-S448 PolarHBondContact O-N 2.62Å; E444-S448 VanDerWaalsContact O-N 3.16Å
445E68.8Low67.6Low115 Ų11594.2 Ų94.254%0.53751%0.505SS..Hα-helixtrans-64.9-42.3177-76.1-178.1168.300112.1Y441 V447 S448 G449Y441-E445 WeakPolarHBondContact O-CB 3.41Å; Y441-E445 WeakPolarHBondContact O-CG 3.45Å; Y441-E445 PolarHBondContact O-N 3.35Å; E445-V447 VanDerWaalsContact C-N 3.31Å; E445-V447 PolarHBondContact O-N 2.92Å; E445-S448 WeakPolarHBondContact O-CB 3.12Å; E445-S448 PolarHBondContact O-N 2.76Å; E445-S448 VanDerWaalsContact O-N 3.11Å; E445-G449 PolarHBondContact O-N 3.03Å
446Q60.1Low64.6Low159 Ų159103.9 Ų103.974%0.74355%0.551SS**Hα-helixtrans-65.4-32.4-178.9-168168.183.200112.5L442L442-Q446 VanDerWaalsContact O-CB 3.26Å; L442-Q446 WeakPolarHBondContact O-CB 3.44Å; L442-Q446 PolarHBondContact O-N 2.74Å; L442-Q446 VanDerWaalsContact O-N 3.16Å
447V56Low61.5Low109 Ų109106.5 Ų106.566%0.66158%0.583SS**Hα-helixtrans-73.1-36.9172172.80000111.7E443 E444 E445 G449 S450E443-V447 WeakPolarHBondContact O-CG2 3.46Å; E443-V447 PolarHBondContact O-N 2.9Å; E444-V447 PolarHBondContact O-N 3.41Å; E445-V447 VanDerWaalsContact C-N 3.31Å; E445-V447 PolarHBondContact O-N 2.92Å; V447-G449 VanDerWaalsContact C-N 3.32Å; V447-G449 PolarHBondContact O-N 3.39Å; V447-S450 WeakPolarHBondContact O-CB 3.49Å; V447-S450 PolarHBondContact O-N 2.75Å
448S51.9Low58.4Low86 Ų86108.4 Ų108.460%0.60161%0.608SS**Hα-helixtrans-61.9-36.1-177.5-1640000113.4E444 E445 S450E444-S448 PolarHBondContact O-N 2.62Å; E444-S448 VanDerWaalsContact O-N 3.16Å; E445-S448 WeakPolarHBondContact O-CB 3.12Å; E445-S448 PolarHBondContact O-N 2.76Å; E445-S448 VanDerWaalsContact O-N 3.11Å; S448-S450 PolarHBondContact O-N 2.72Å; S448-S450 VanDerWaalsContact O-N 3.12Å
449G49.1Very low55.5Low69 Ų69111.9 Ų111.971%0.71164%0.644SS**THydrogen-bonded Turntrans-65.6-9.2178.900000115.8E445 V447 K451E445-G449 PolarHBondContact O-N 3.03Å; V447-G449 VanDerWaalsContact C-N 3.32Å; V447-G449 PolarHBondContact O-N 3.39Å; G449-K451 VanDerWaalsContact C-N 3.33Å; G449-K451 PolarHBondContact O-N 2.79Å
450S37Very low52.4Low99 Ų99117.7 Ų117.769%0.69268%0.68SS**THydrogen-bonded Turntrans-85.714.9-171.4-60.20000115.5V447 S448V447-S450 WeakPolarHBondContact O-CB 3.49Å; V447-S450 PolarHBondContact O-N 2.75Å; S448-S450 PolarHBondContact O-N 2.72Å; S448-S450 VanDerWaalsContact O-N 3.12Å
451K34.9Very low49.4Very low168 Ų168119.1 Ų119.173%0.7370%0.698SS**SBendtrans-105126.6-177.4-71.1-179.4-179.6173.10112.5G449 V453G449-K451 VanDerWaalsContact C-N 3.33Å; G449-K451 PolarHBondContact O-N 2.79Å; K451-V453 PolarHBondContact O-N 3.42Å; K451-V453 VanDerWaalsContact O-N 3.08Å
452P37.3Very low46.6Very low130 Ų130122.8 Ų122.884%0.84472%0.722SS**  trans-73.4102.6178.229.4-33.8000111.2
453V36Very low43.7Very low137 Ų137124.7 Ų124.783%0.8375%0.749SS**PPolyproline II helixtrans-76.4125.9173.4179.20000109.5K451K451-V453 PolarHBondContact O-N 3.42Å; K451-V453 VanDerWaalsContact O-N 3.08Å
454K35.9Very low41.4Very low202 Ų202125.8 Ų125.888%0.87877%0.77SS**PPolyproline II helixtrans-68.1134175.7-75.4-174.9175.3-178.40110.9
455S40.3Very low39.1Very low115 Ų115127.3 Ų127.380%0.80478%0.782SS**PPolyproline II helixtrans-77.1126.7178.455.30000113.1
456Q34.1Very low37.2Very low204 Ų204126 Ų12695%0.95380%0.8SS**  trans-129.3136.1138.4-74.8-167.7-26.100107
457G32.8Very low35.9Very low81 Ų81123.6 Ų123.684%0.83580%0.799SS**  trans-116.3160.7-156.700000115.5
458S29.6Very low35Very low131 Ų131123.3 Ų123.392%0.91679%0.793SS**  trans-139.5145.4145.7-166.40000107.8
459G35.7Very low34.4Very low76 Ų76124.2 Ų124.278%0.78480%0.795SS**  trans-85123.5-156.400000115.8
460V28.9Very low34.1Very low129 Ų129125 Ų12578%0.78279%0.787SS**  trans-135132.4151.7-179.40000107.7L462V460-L462 PolarHBondContact O-N 2.77Å
461L29.8Very low34.1Very low180 Ų180129.1 Ų129.194%0.94279%0.787SS**  trans-75.889.9179.5-78.6166.7000111.1
462L30.8Very low34.1Very low161 Ų161122.6 Ų122.684%0.84377%0.765SS**  trans-95107.9164.2-79164.5000109.2V460V460-L462 PolarHBondContact O-N 2.77Å
463G25.9Very low34.5Very low68 Ų68120 Ų12070%0.70174%0.744SS**  trans-65.2148.3170.900000111.5
464A33.6Very low34.8Very low97 Ų97116.9 Ų116.980%0.80272%0.72SS**SBendtrans-61.4157.317400000111.6
465N33Very low35.1Very low157 Ų157116.1 Ų116.184%0.8471%0.711SS**  trans68.279.3-167.9-58-23.9000113.7C467N465-C467 PolarHBondContact O-N 2.8Å
466G29.4Very low35.3Very low87 Ų87113.4 Ų113.490%0.89769%0.688SS**  trans-68.554.3168.300000113.9
467C32.9Very low36.1Very low109 Ų109106.3 Ų106.374%0.73666%0.66SS**PPolyproline II helixtrans-79.8116167.2-170.80000108.3N465 T469N465-C467 PolarHBondContact O-N 2.8Å; C467-T469 PolarHBondContact O-N 3.39Å
468L36.8Very low36.8Very low103 Ų103108.3 Ų108.354%0.53965%0.648SS.*PPolyproline II helixtrans-54.1129167.8-76170.5000108.7T470 L473L468-T470 PolarHBondContact O-N 3.16Å; L468-L473 HydrophobicContact CD1-CD1 4.29Å
469T37.7Very low37.5Very low105 Ų105103.9 Ų103.964%0.64462%0.619SS**PPolyproline II helixtrans-54.9143-179.457.80000109.9C467 R471 A472 L473C467-T469 PolarHBondContact O-N 3.39Å; T469-R471 PolarHBondContact O-N 3.34Å; T469-R471 VanDerWaalsContact O-N 3.08Å; T469-A472 WeakPolarHBondContact O-CA 3.4Å; T469-A472 WeakPolarHBondContact O-CB 3.39Å; T469-A472 PolarHBondContact O-N 3Å; T469-L473 PolarHBondContact O-N 3.28Å
470T43.7Very low38.5Very low87 Ų87101.2 Ų101.253%0.53459%0.585SS.*Hα-helixtrans-51.9-41.4-168.844.10000113.1L468 A472 L473 E474L468-T470 PolarHBondContact O-N 3.16Å; T470-A472 VanDerWaalsContact C-N 3.3Å; T470-A472 PolarHBondContact O-N 3.36Å; T470-L473 PolarHBondContact O-N 3.2Å; T470-E474 WeakPolarHBondContact O-CB 3.44Å; T470-E474 PolarHBondContact O-N 3.15Å
471R37.4Very low39.7Very low184 Ų184101 Ų10169%0.69458%0.576SS**Hα-helixtrans-59.5-29.7173.9-85.1-179.4167.6171.8-3115T469 R475T469-R471 PolarHBondContact O-N 3.34Å; T469-R471 VanDerWaalsContact O-N 3.08Å; R471-R475 WeakPolarHBondContact O-CB 3.39Å; R471-R475 VanDerWaalsContact O-CG 3.25Å; R471-R475 WeakPolarHBondContact O-CG 3.5Å; R471-R475 PolarHBondContact O-N 3.07Å
472A35.4Very low40.5Very low31 Ų3195.5 Ų95.526%0.25656%0.556SS.*Hα-helixtrans-74.7-45.7177.600000111.2T469 T470 E474 R475 L476T469-A472 WeakPolarHBondContact O-CA 3.4Å; T469-A472 WeakPolarHBondContact O-CB 3.39Å; T469-A472 PolarHBondContact O-N 3Å; T470-A472 VanDerWaalsContact C-N 3.3Å; T470-A472 PolarHBondContact O-N 3.36Å; A472-E474 VanDerWaalsContact C-N 3.32Å; A472-E474 PolarHBondContact O-N 3.34Å; A472-R475 PolarHBondContact O-N 3.06Å; A472-L476 WeakPolarHBondContact O-CD1 3.5Å; A472-L476 PolarHBondContact O-N 3.48Å
473L44.9Very low41.6Very low77 Ų7794.3 Ų94.340%0.40354%0.54SS..Hα-helixtrans-64.8-38.9175.4-15486.3000111.6L468 T469 T470 L476 C477L468-L473 HydrophobicContact CD1-CD1 4.29Å; T469-L473 PolarHBondContact O-N 3.28Å; T470-L473 PolarHBondContact O-N 3.2Å; L473-L476 CarbonylContact O-C 3.58Å; L473-L476 PolarHBondContact O-N 2.93Å; L473-C477 PolarHBondContact O-N 3.19Å
474E42.7Very low43.1Very low71 Ų7194.8 Ų94.833%0.33252%0.521SS..Hα-helixtrans-63.1-45.7176.6-175.6170.9-94.900111.9R117 T470 A472 L476 C477 Q478R117-E474 IonicContact CZ-OE1 3.05Å; R117-E474 IonicContact NH1-OE1 3.58Å; R117-E474 PolarHBondContact NH1-OE1 2.68Å; T470-E474 WeakPolarHBondContact O-CB 3.44Å; T470-E474 PolarHBondContact O-N 3.15Å; A472-E474 VanDerWaalsContact C-N 3.32Å; A472-E474 PolarHBondContact O-N 3.34Å; E474-L476 VanDerWaalsContact C-N 3.34Å; E474-L476 PolarHBondContact O-N 3.29Å; E474-C477 PolarHBondContact O-N 2.86Å; E474-Q478 WeakPolarHBondContact O-CB 3.44Å; E474-Q478 WeakPolarHBondContact O-CG 3.42Å; E474-Q478 PolarHBondContact O-N 3.21Å
475R42Very low44Very low185 Ų18592.7 Ų92.770%0.69850%0.503SS*.Hα-helixtrans-60.7-39.6169.4-77.8174177.3-174.9-1.3112.4R471 A472 A479R471-R475 WeakPolarHBondContact O-CB 3.39Å; R471-R475 VanDerWaalsContact O-CG 3.25Å; R471-R475 WeakPolarHBondContact O-CG 3.5Å; R471-R475 PolarHBondContact O-N 3.07Å; A472-R475 PolarHBondContact O-N 3.06Å; R475-A479 WeakPolarHBondContact O-CB 3.41Å; R475-A479 PolarHBondContact O-N 2.87Å
476L45.2Very low44.6Very low59 Ų5987.3 Ų87.331%0.30948%0.481SS..Hα-helixtrans-66.4-44.3174.8-98.982.2000112.2D388 A472 L473 E474 A479 R480D388-L476 HydrophobicContact CB-CD2 4.42Å; A472-L476 WeakPolarHBondContact O-CD1 3.5Å; A472-L476 PolarHBondContact O-N 3.48Å; L473-L476 CarbonylContact O-C 3.58Å; L473-L476 PolarHBondContact O-N 2.93Å; E474-L476 VanDerWaalsContact C-N 3.34Å; E474-L476 PolarHBondContact O-N 3.29Å; L476-A479 CarbonylContact O-C 3.58Å; L476-A479 PolarHBondContact O-N 3.32Å; L476-R480 VanDerWaalsContact O-CB 3.32Å; L476-R480 WeakPolarHBondContact O-CB 3.26Å; L476-R480 WeakPolarHBondContact O-CD 3.22Å; L476-R480 WeakPolarHBondContact O-CG 3.5Å; L476-R480 PolarHBondContact O-N 2.91Å
477C48.9Very low45.8Very low55 Ų5589.6 Ų89.637%0.37246%0.463SS..Hα-helixtrans-68-41.2-179.9-76.50000112.6L473 E474 R480 Q481L473-C477 PolarHBondContact O-N 3.19Å; E474-C477 PolarHBondContact O-N 2.86Å; C477-R480 PolarHBondContact O-N 2.88Å; C477-Q481 PolarHBondContact O-N 2.88Å
478Q48Very low46.8Very low123 Ų12389.8 Ų89.858%0.57545%0.448SS*.Hα-helixtrans-63.7-41.8171.8-70.5174.3-9.400111.2E474 R480 Q481 A482E474-Q478 WeakPolarHBondContact O-CB 3.44Å; E474-Q478 WeakPolarHBondContact O-CG 3.42Å; E474-Q478 PolarHBondContact O-N 3.21Å; Q478-R480 PolarHBondContact O-N 2.66Å; Q478-Q481 PolarHBondContact O-N 3.43Å; Q478-A482 VanDerWaalsContact O-CB 3.31Å; Q478-A482 WeakPolarHBondContact O-CB 3.4Å; Q478-A482 PolarHBondContact O-N 3.37Å
479A44.4Very low47.2Very low38 Ų3889.2 Ų89.231%0.31445%0.445SS..Hα-helixtrans-66.2-33.5173.700000113R475 L476 R483R475-A479 WeakPolarHBondContact O-CB 3.41Å; R475-A479 PolarHBondContact O-N 2.87Å; L476-A479 CarbonylContact O-C 3.58Å; L476-A479 PolarHBondContact O-N 3.32Å; A479-R483 WeakPolarHBondContact O-CB 3.49Å; A479-R483 WeakPolarHBondContact O-CD 3.4Å; A479-R483 WeakPolarHBondContact O-CG 3.5Å; A479-R483 PolarHBondContact O-N 2.9Å
480R56.7Low47.6Very low19 Ų1992.7 Ų92.77%0.07245%0.446CS..Hα-helixtrans-68.5-45.2174.7-75.4161.6179.4170.9-4.6110.8D388 L476 C477 Q478 R483 R484D388-R480 IonicContact OD2-CZ 2.66Å; D388-R480 IonicContact OD2-NE 2.72Å; D388-R480 PolarHBondContact OD2-NE 2.9Å; D388-R480 IonicContact OD2-NH2 3.69Å; D388-R480 PolarHBondContact OD2-NH2 3.27Å; L476-R480 VanDerWaalsContact O-CB 3.32Å; L476-R480 WeakPolarHBondContact O-CB 3.26Å; L476-R480 WeakPolarHBondContact O-CD 3.22Å; L476-R480 WeakPolarHBondContact O-CG 3.5Å; L476-R480 PolarHBondContact O-N 2.91Å; C477-R480 PolarHBondContact O-N 2.88Å; Q478-R480 PolarHBondContact O-N 2.66Å; R480-R483 PolarHBondContact O-N 3.21Å; R480-R484 WeakPolarHBondContact O-CB 3.47Å; R480-R484 VanDerWaalsContact O-CG 3.31Å; R480-R484 WeakPolarHBondContact O-CG 3.42Å; R480-R484 PolarHBondContact O-N 3.18Å
481Q53.8Low47.9Very low126 Ų12695 Ų9559%0.58945%0.451SS*.Hα-helixtrans-60.6-47.9173-75.4175.9-3400111.3C477 Q478 R483 R484 A485C477-Q481 PolarHBondContact O-N 2.88Å; Q478-Q481 PolarHBondContact O-N 3.43Å; Q481-R483 PolarHBondContact O-N 3Å; Q481-R484 PolarHBondContact O-N 3.2Å; Q481-A485 WeakPolarHBondContact O-CB 3.04Å; Q481-A485 PolarHBondContact O-N 3.3Å
482A47.7Very low48.5Very low63 Ų6392.9 Ų92.952%0.52145%0.449SS..Hα-helixtrans-62.9-39.117600000112.9Q478 A486Q478-A482 VanDerWaalsContact O-CB 3.31Å; Q478-A482 WeakPolarHBondContact O-CB 3.4Å; Q478-A482 PolarHBondContact O-N 3.37Å; A482-A486 WeakPolarHBondContact O-CB 3.34Å; A482-A486 PolarHBondContact O-N 2.86Å
483R53.5Low48.8Very low136 Ų13697.9 Ų97.951%0.51347%0.467SS..Hα-helixtrans-64.4-40.7173.8-78.7166.7-176.8-175.62.7111.7D388 A479 R480 Q481 A486 R487D388-R483 IonicContact OD1-NH1 3.86Å; A479-R483 WeakPolarHBondContact O-CB 3.49Å; A479-R483 WeakPolarHBondContact O-CD 3.4Å; A479-R483 WeakPolarHBondContact O-CG 3.5Å; A479-R483 PolarHBondContact O-N 2.9Å; R480-R483 PolarHBondContact O-N 3.21Å; Q481-R483 PolarHBondContact O-N 3Å; R483-A486 PolarHBondContact O-N 3.2Å; R483-R487 WeakPolarHBondContact O-CB 3.4Å; R483-R487 WeakPolarHBondContact O-CG 3.43Å; R483-R487 PolarHBondContact O-N 2.89Å
484R56.8Low48.6Very low78 Ų78100.9 Ų100.929%0.29448%0.479SS..Hα-helixtrans-69.5-43.3177.3-71.5175.3-168.1161.94.1111.8E384 R480 Q481 A486 R487 R488E384-R484 IonicContact OE2-CZ 2.72Å; E384-R484 IonicContact OE2-NE 2.87Å; E384-R484 PolarHBondContact OE2-NE 3.06Å; E384-R484 IonicContact OE2-NH2 2.67Å; E384-R484 PolarHBondContact OE2-NH2 3.13Å; R480-R484 WeakPolarHBondContact O-CB 3.47Å; R480-R484 VanDerWaalsContact O-CG 3.31Å; R480-R484 WeakPolarHBondContact O-CG 3.42Å; R480-R484 PolarHBondContact O-N 3.18Å; Q481-R484 PolarHBondContact O-N 3.2Å; R484-A486 VanDerWaalsContact C-N 3.34Å; R484-A486 PolarHBondContact O-N 3.14Å; R484-R487 PolarHBondContact O-N 3.17Å; R484-R488 PolarHBondContact O-N 3.25Å
485A52.4Low48.3Very low53 Ų53101.4 Ų101.444%0.43850%0.496SS..Hα-helixtrans-58.9-44.8171.100000111.6Q481 R487 R488 L489Q481-A485 WeakPolarHBondContact O-CB 3.04Å; Q481-A485 PolarHBondContact O-N 3.3Å; A485-R487 VanDerWaalsContact C-N 3.34Å; A485-R487 PolarHBondContact O-N 3.22Å; A485-R488 PolarHBondContact O-N 2.9Å; A485-L489 PolarHBondContact O-N 3.44Å
486A46.1Very low48.3Very low45 Ų4598.5 Ų98.537%0.37250%0.501SS..Hα-helixtrans-68.3-26.917600000113.8A482 R483 R484 R490A482-A486 WeakPolarHBondContact O-CB 3.34Å; A482-A486 PolarHBondContact O-N 2.86Å; R483-A486 PolarHBondContact O-N 3.2Å; R484-A486 VanDerWaalsContact C-N 3.34Å; R484-A486 PolarHBondContact O-N 3.14Å; A486-R490 WeakPolarHBondContact O-CB 3.36Å; A486-R490 WeakPolarHBondContact O-CD 3.35Å; A486-R490 WeakPolarHBondContact O-CG 3.39Å; A486-R490 PolarHBondContact O-N 2.92Å; A486-R490 VanDerWaalsContact O-N 3.13Å
487R54.7Low48.4Very low135 Ų135104.4 Ų104.451%0.50952%0.524SS..Hα-helixtrans-71.6-47.8169.8-77.2-176.1-167.4-148.410.7110.9E384 R483 R484 A485 L489 R490 E491E384-R487 IonicContact OE1-NH2 3.79Å; R483-R487 WeakPolarHBondContact O-CB 3.4Å; R483-R487 WeakPolarHBondContact O-CG 3.43Å; R483-R487 PolarHBondContact O-N 2.89Å; R484-R487 PolarHBondContact O-N 3.17Å; A485-R487 VanDerWaalsContact C-N 3.34Å; A485-R487 PolarHBondContact O-N 3.22Å; R487-L489 VanDerWaalsContact C-N 3.34Å; R487-L489 PolarHBondContact O-N 2.96Å; R487-R490 CarbonylContact O-C 3.55Å; R487-R490 WeakPolarHBondContact O-CA 3.29Å; R487-R490 WeakPolarHBondContact O-CB 3.23Å; R487-R490 PolarHBondContact O-N 3.12Å; R487-E491 PolarHBondContact O-N 3.01Å
488R53.2Low48.3Very low112 Ų112106.1 Ų106.142%0.42354%0.542SS..Hα-helixtrans-57.4-45175.1-70.7-174-178.3-177.53.5111.8N221 N377 R484 A485 R490 E491 Q492N221-R488 PolarHBondContact O-NH1 2.96Å; N221-R488 PolarHBondContact O-NH2 3.35Å; N377-R488 PolarHBondContact OD1-NH2 3.19Å; R484-R488 PolarHBondContact O-N 3.25Å; A485-R488 PolarHBondContact O-N 2.9Å; R488-R490 VanDerWaalsContact C-N 3.33Å; R488-R490 PolarHBondContact O-N 2.89Å; R488-E491 PolarHBondContact O-N 3.33Å; R488-Q492 PolarHBondContact O-N 3.02Å
489L45.4Very low48.3Very low92 Ų92103.5 Ų103.548%0.48254%0.536SS..Hα-helixtrans-58.5-41.6171.8-108.276000112.6A485 R487 Q493A485-L489 PolarHBondContact O-N 3.44Å; R487-L489 VanDerWaalsContact C-N 3.34Å; R487-L489 PolarHBondContact O-N 2.96Å; L489-Q493 WeakPolarHBondContact O-CB 3.29Å; L489-Q493 WeakPolarHBondContact O-CG 3.44Å; L489-Q493 PolarHBondContact O-N 2.88Å
490R47.1Very low49.3Very low178 Ų178105.4 Ų105.467%0.67254%0.543SS*.Hα-helixtrans-71.6-26.7178.7-77.5172.2-177.3-160.31.1113.8A486 R487 R488 Q494A486-R490 WeakPolarHBondContact O-CB 3.36Å; A486-R490 WeakPolarHBondContact O-CD 3.35Å; A486-R490 WeakPolarHBondContact O-CG 3.39Å; A486-R490 PolarHBondContact O-N 2.92Å; A486-R490 VanDerWaalsContact O-N 3.13Å; R487-R490 CarbonylContact O-C 3.55Å; R487-R490 WeakPolarHBondContact O-CA 3.29Å; R487-R490 WeakPolarHBondContact O-CB 3.23Å; R487-R490 PolarHBondContact O-N 3.12Å; R488-R490 VanDerWaalsContact C-N 3.33Å; R488-R490 PolarHBondContact O-N 2.89Å; R490-Q494 PolarHBondContact O-N 3.48Å
491E49.8Very low49.4Very low136 Ų136111.4 Ų111.464%0.63658%0.577SS**Hα-helixtrans-77.9-42.7174.2-70.9176.1153.700110.3R487 R488 Q493 Q494R487-E491 PolarHBondContact O-N 3.01Å; R488-E491 PolarHBondContact O-N 3.33Å; E491-Q493 VanDerWaalsContact C-N 3.3Å; E491-Q493 PolarHBondContact O-N 3.1Å; E491-Q494 PolarHBondContact O-N 3.41Å
492Q49.8Very low49.4Very low139 Ų139111 Ų11165%0.6558%0.578SS**Hα-helixtrans-63.8-30.8169.5-73.7175.7-29.500113.3R488R488-Q492 PolarHBondContact O-N 3.02Å
493Q42.7Very low50Low136 Ų136111.2 Ų111.264%0.63657%0.571SS**THydrogen-bonded Turntrans-87.43.7177.2-71.4173.51.500114.3L489 E491 A495L489-Q493 WeakPolarHBondContact O-CB 3.29Å; L489-Q493 WeakPolarHBondContact O-CG 3.44Å; L489-Q493 PolarHBondContact O-N 2.88Å; E491-Q493 VanDerWaalsContact C-N 3.3Å; E491-Q493 PolarHBondContact O-N 3.1Å; Q493-A495 VanDerWaalsContact C-N 3.29Å; Q493-A495 PolarHBondContact O-N 3.07Å
494Q39.5Very low50.8Low139 Ų139108.6 Ų108.665%0.6557%0.566SS**  trans-74.587.4167.6-85.6-177.437.500110R490 E491R490-Q494 PolarHBondContact O-N 3.48Å; E491-Q494 PolarHBondContact O-N 3.41Å
495A36.6Very low50.8Low83 Ų83109.8 Ų109.869%0.68658%0.577SS**  trans-45.713416900000110.1Q493 K497Q493-A495 VanDerWaalsContact C-N 3.29Å; Q493-A495 PolarHBondContact O-N 3.07Å; A495-K497 PolarHBondContact O-N 3.17Å; A495-K497 VanDerWaalsContact O-N 3.16Å
496P42.7Very low51.6Low124 Ų124113.1 Ų113.181%0.80558%0.584SS**PPolyproline II helixtrans-60123.9-169.723.1-33.6000110.1A498P496-A498 PolarHBondContact O-N 3.23Å
497K47Very low52.4Low183 Ų183117 Ų11780%0.79660%0.595SS**PPolyproline II helixtrans-56.2129.5164.6-70.9173.4-177.9165.20106.8A495 P499A495-K497 PolarHBondContact O-N 3.17Å; A495-K497 VanDerWaalsContact O-N 3.16Å; K497-P499 VanDerWaalsContact O-N 3.1Å
498A45.8Very low53.1Low91 Ų91116.3 Ų116.375%0.75260%0.597SS**PPolyproline II helixtrans-48.5122-179.900000109.3P496 T500P496-A498 PolarHBondContact O-N 3.23Å; A498-T500 PolarHBondContact O-N 2.95Å
499P48.6Very low54.2Low68 Ų68114.1 Ų114.144%0.44260%0.596SS.*PPolyproline II helixtrans-59.7137-172.223.7-33.6000109K497 D503 I504K497-P499 VanDerWaalsContact O-N 3.1Å; P499-D503 HydrophobicContact CB-CB 4.08Å; P499-I504 HydrophobicContact CB-CG1 3.92Å; P499-I504 HydrophobicContact CG-CD1 4.19Å; P499-I504 HydrophobicContact CG-CG1 3.85Å
500T66.3Low54.7Low77 Ų77116 Ų11647%0.47260%0.604SS.*PPolyproline II helixtrans-67.1158.217874.40000109.3A498 L502 D503 I504A498-T500 PolarHBondContact O-N 2.95Å; T500-L502 PolarHBondContact O-N 3.14Å; T500-L502 PolarHBondContact OG1-N 3.29Å; T500-D503 WeakPolarHBondContact CA-OD2 3.23Å; T500-D503 WeakPolarHBondContact CB-OD2 3.45Å; T500-D503 WeakPolarHBondContact CG2-OD2 3.43Å; T500-D503 PolarHBondContact N-OD2 3.16Å; T500-D503 PolarHBondContact O-N 2.64Å; T500-D503 PolarHBondContact OG1-N 2.91Å; T500-D503 PolarHBondContact OG1-OD2 2.87Å; T500-I504 WeakPolarHBondContact O-CG1 3.42Å; T500-I504 PolarHBondContact O-N 2.84Å
501N57.2Low55.2Low145 Ų145112.3 Ų112.378%0.77559%0.594SS**Hα-helixtrans-57.5-13.6175.3-63.5-12.1000113.5L505N501-L505 WeakPolarHBondContact O-CB 3.39Å
502L54Low56.1Low119 Ų119109.1 Ų109.162%0.62358%0.584SS**Hα-helixtrans-83.8-42.7172.6-160.571.7000111.7T500 L505 E506T500-L502 PolarHBondContact O-N 3.14Å; T500-L502 PolarHBondContact OG1-N 3.29Å; L502-L505 WeakPolarHBondContact O-CB 3.37Å; L502-L505 PolarHBondContact O-N 3.34Å; L502-E506 WeakPolarHBondContact O-CB 3.42Å; L502-E506 PolarHBondContact O-N 3.03Å
503D60.2Low56.4Low67 Ų67107 Ų10736%0.35858%0.577SS.*Hα-helixtrans-66.5-40.4178.2-45.4-52.5000110.8P499 T500 L505 E506 Q507P499-D503 HydrophobicContact CB-CB 4.08Å; T500-D503 WeakPolarHBondContact CA-OD2 3.23Å; T500-D503 WeakPolarHBondContact CB-OD2 3.45Å; T500-D503 WeakPolarHBondContact CG2-OD2 3.43Å; T500-D503 PolarHBondContact N-OD2 3.16Å; T500-D503 PolarHBondContact O-N 2.64Å; T500-D503 PolarHBondContact OG1-N 2.91Å; T500-D503 PolarHBondContact OG1-OD2 2.87Å; D503-L505 VanDerWaalsContact C-N 3.3Å; D503-L505 PolarHBondContact O-N 3.33Å; D503-E506 PolarHBondContact O-N 3.24Å; D503-Q507 WeakPolarHBondContact O-CB 3.36Å; D503-Q507 WeakPolarHBondContact O-CG 3.37Å; D503-Q507 PolarHBondContact O-N 3.48Å
504I70.5Confident56.9Low81 Ų81107.6 Ų107.642%0.41558%0.577SS.*Hα-helixtrans-60.6-40.8173-60.5172.3000110.6P499 T500 H508P499-I504 HydrophobicContact CB-CG1 3.92Å; P499-I504 HydrophobicContact CG-CD1 4.19Å; P499-I504 HydrophobicContact CG-CG1 3.85Å; T500-I504 WeakPolarHBondContact O-CG1 3.42Å; T500-I504 PolarHBondContact O-N 2.84Å; I504-H508 VanDerWaalsContact O-CB 3.23Å; I504-H508 WeakPolarHBondContact O-CB 3.46Å; I504-H508 PolarHBondContact O-N 2.94Å
505L58.2Low57.6Low102 Ų102109.2 Ų109.253%0.53458%0.577SS.*Hα-helixtrans-70.6-36.8178.6-177.665000111.6N501 L502 D503 T509N501-L505 WeakPolarHBondContact O-CB 3.39Å; L502-L505 WeakPolarHBondContact O-CB 3.37Å; L502-L505 PolarHBondContact O-N 3.34Å; D503-L505 VanDerWaalsContact C-N 3.3Å; D503-L505 PolarHBondContact O-N 3.33Å; L505-T509 VanDerWaalsContact O-CB 3.29Å; L505-T509 WeakPolarHBondContact O-CB 3.29Å; L505-T509 PolarHBondContact O-N 2.61Å; L505-T509 PolarHBondContact O-OG1 2.65Å
506E69.2Low58.5Low124 Ų124110.8 Ų110.858%0.57958%0.578SS**Hα-helixtrans-68.7-46177.1-170.4152.9-136.200111L502 D503 T509 M510L502-E506 WeakPolarHBondContact O-CB 3.42Å; L502-E506 PolarHBondContact O-N 3.03Å; D503-E506 PolarHBondContact O-N 3.24Å; E506-T509 PolarHBondContact O-N 2.88Å; E506-M510 WeakPolarHBondContact O-CG 3.36Å; E506-M510 PolarHBondContact O-N 3.23Å
507Q62.1Low58.8Low127 Ų127112.6 Ų112.659%0.59358%0.576SS**Hα-helixtrans-59.7-49.3172.8-73.7-180-21.200112.3D503 T509 M510 E511D503-Q507 WeakPolarHBondContact O-CB 3.36Å; D503-Q507 WeakPolarHBondContact O-CG 3.37Å; D503-Q507 PolarHBondContact O-N 3.48Å; Q507-T509 VanDerWaalsContact C-N 3.25Å; Q507-T509 PolarHBondContact O-N 2.93Å; Q507-M510 PolarHBondContact O-N 2.66Å; Q507-E511 PolarHBondContact O-N 2.97Å
508H68.6Low58.7Low119 Ų119109.5 Ų109.555%0.55157%0.572SS**Hα-helixtrans-59.3-37.2174.9-178-77000111.9I504 V512I504-H508 VanDerWaalsContact O-CB 3.23Å; I504-H508 WeakPolarHBondContact O-CB 3.46Å; I504-H508 PolarHBondContact O-N 2.94Å; H508-V512 WeakPolarHBondContact O-CB 3.46Å; H508-V512 VanDerWaalsContact O-CG2 3.29Å; H508-V512 WeakPolarHBondContact O-CG2 3.29Å; H508-V512 PolarHBondContact O-N 2.84Å
509T76.4Confident58Low66 Ų66107.9 Ų107.941%0.40556%0.564SS.*Hα-helixtrans-67.6-45177.2-56.10000111.4L505 E506 Q507 V512 L513L505-T509 VanDerWaalsContact O-CB 3.29Å; L505-T509 WeakPolarHBondContact O-CB 3.29Å; L505-T509 PolarHBondContact O-N 2.61Å; L505-T509 PolarHBondContact O-OG1 2.65Å; E506-T509 PolarHBondContact O-N 2.88Å; Q507-T509 VanDerWaalsContact C-N 3.25Å; Q507-T509 PolarHBondContact O-N 2.93Å; T509-V512 PolarHBondContact O-N 2.92Å; T509-L513 HydrophobicContact CG2-CD1 4.34Å; T509-L513 WeakPolarHBondContact O-CG 3.37Å; T509-L513 PolarHBondContact O-N 3.46Å
510M55.9Low57.2Low131 Ų131111.6 Ų111.665%0.64559%0.586SS**Hα-helixtrans-62.6-40.6175.3-74.3-174.769.500112.2E506 Q507 L513 K514E506-M510 WeakPolarHBondContact O-CG 3.36Å; E506-M510 PolarHBondContact O-N 3.23Å; Q507-M510 PolarHBondContact O-N 2.66Å; M510-L513 PolarHBondContact O-N 3.45Å; M510-K514 WeakPolarHBondContact O-CB 3.44Å; M510-K514 PolarHBondContact O-N 3.17Å
511E59Low55.6Low101 Ų101115.3 Ų115.347%0.47260%0.602SS.*Hα-helixtrans-73.3-34.9-179.5-155.6-177.514100112.4Q507 L513 K514 R515Q507-E511 PolarHBondContact O-N 2.97Å; E511-L513 VanDerWaalsContact C-N 3.35Å; E511-K514 PolarHBondContact O-N 2.87Å; E511-R515 WeakPolarHBondContact O-CB 3.38Å; E511-R515 VanDerWaalsContact O-CG 3.23Å; E511-R515 WeakPolarHBondContact O-CG 3.49Å; E511-R515 PolarHBondContact O-N 3.3Å; E511-R515 IonicContact OE1-CZ 2.65Å; E511-R515 IonicContact OE1-NE 2.66Å; E511-R515 PolarHBondContact OE1-NE 2.86Å; E511-R515 IonicContact OE1-NH2 3.23Å; E511-R515 PolarHBondContact OE1-NH2 2.76Å
512V67.7Low54.5Low69 Ų69117.3 Ų117.342%0.41861%0.607SS.*Hα-helixtrans-61.6-42.1169166.70000111.3H508 T509 R515 V516H508-V512 WeakPolarHBondContact O-CB 3.46Å; H508-V512 VanDerWaalsContact O-CG2 3.29Å; H508-V512 WeakPolarHBondContact O-CG2 3.29Å; H508-V512 PolarHBondContact O-N 2.84Å; T509-V512 PolarHBondContact O-N 2.92Å; V512-R515 PolarHBondContact O-N 2.98Å; V512-V516 WeakPolarHBondContact O-CG2 3.38Å; V512-V516 PolarHBondContact O-N 2.91Å
513L57.3Low53.5Low96 Ų96120.4 Ų120.450%0.50362%0.618SS.*Hα-helixtrans-63-45.2174.2-71.7167000111.5T509 M510 E511 R515 V516 E517T509-L513 HydrophobicContact CG2-CD1 4.34Å; T509-L513 WeakPolarHBondContact O-CG 3.37Å; T509-L513 PolarHBondContact O-N 3.46Å; M510-L513 PolarHBondContact O-N 3.45Å; E511-L513 VanDerWaalsContact C-N 3.35Å; L513-R515 VanDerWaalsContact C-N 3.29Å; L513-R515 PolarHBondContact O-N 2.84Å; L513-V516 CarbonylContact O-C 3.6Å; L513-V516 WeakPolarHBondContact O-CA 3.43Å; L513-V516 WeakPolarHBondContact O-CB 3.26Å; L513-V516 PolarHBondContact O-N 2.82Å; L513-E517 PolarHBondContact O-N 2.98Å
514K52.3Low52.1Low147 Ų147122.6 Ų122.664%0.63963%0.629SS**Hα-helixtrans-63.8-32.2179.2-160.5170.2-173.4176.10113M510 E511 V516 V518M510-K514 WeakPolarHBondContact O-CB 3.44Å; M510-K514 PolarHBondContact O-N 3.17Å; E511-K514 PolarHBondContact O-N 2.87Å; K514-V516 VanDerWaalsContact C-N 3.3Å; K514-V518 WeakPolarHBondContact O-CB 3.35Å; K514-V518 PolarHBondContact O-N 3.31Å
515R54.5Low50.4Low174 Ų174124.4 Ų124.466%0.65765%0.647SS**Hα-helixtrans-76.2-12171.4-68171.1-171.9-164.14.4114E511 V512 L513E511-R515 WeakPolarHBondContact O-CB 3.38Å; E511-R515 VanDerWaalsContact O-CG 3.23Å; E511-R515 WeakPolarHBondContact O-CG 3.49Å; E511-R515 PolarHBondContact O-N 3.3Å; E511-R515 IonicContact OE1-CZ 2.65Å; E511-R515 IonicContact OE1-NE 2.66Å; E511-R515 PolarHBondContact OE1-NE 2.86Å; E511-R515 IonicContact OE1-NH2 3.23Å; E511-R515 PolarHBondContact OE1-NH2 2.76Å; V512-R515 PolarHBondContact O-N 2.98Å; L513-R515 VanDerWaalsContact C-N 3.29Å; L513-R515 PolarHBondContact O-N 2.84Å
516V54.5Low49.4Very low116 Ų116123.1 Ų123.170%0.70365%0.651SS**Hα-helixtrans-94.7-29.6172.11690000111.2V512 L513 K514V512-V516 WeakPolarHBondContact O-CG2 3.38Å; V512-V516 PolarHBondContact O-N 2.91Å; L513-V516 CarbonylContact O-C 3.6Å; L513-V516 WeakPolarHBondContact O-CA 3.43Å; L513-V516 WeakPolarHBondContact O-CB 3.26Å; L513-V516 PolarHBondContact O-N 2.82Å; K514-V516 VanDerWaalsContact C-N 3.3Å
517E49.3Very low47.8Very low162 Ų162125.5 Ų125.576%0.75766%0.659SS**Hα-helixtrans-82-30.3174.7-68.7176.2150.900113L513L513-E517 PolarHBondContact O-N 2.98Å
518V46.2Very low46.4Very low117 Ų117124.9 Ų124.971%0.70967%0.668SS**SBendtrans-105.383.7174.6-172.80000109.8K514K514-V518 WeakPolarHBondContact O-CB 3.35Å; K514-V518 PolarHBondContact O-N 3.31Å
519G29.9Very low44.8Very low57 Ų57123.7 Ų123.759%0.58868%0.679SS**  trans-156.560.7-175.500000113.6L521G519-L521 PolarHBondContact O-N 3.32Å; G519-L521 VanDerWaalsContact O-N 3.15Å
520T31.6Very low42.9Very low147 Ų147130 Ų13090%0.90270%0.701SS**  trans-62.4111.1163.444.50000108.9
521L32.2Very low41.9Very low154 Ų154129.9 Ų129.981%0.80671%0.707SS**  trans-76.3123.9-175.1-15580.4000110.4G519G519-L521 PolarHBondContact O-N 3.32Å; G519-L521 VanDerWaalsContact O-N 3.15Å
522E35.8Very low40.6Very low188 Ų188133.8 Ų133.888%0.87973%0.73SS**  trans-72.1130.9157.6-69.5-170.9133.900108.6D524E522-D524 PolarHBondContact O-N 2.84Å
523E32Very low39Very low183 Ų183133.2 Ų133.286%0.85574%0.738SS**  trans-81.7111-175.3-61.7-171.1140.500111.5P525E523-P525 WeakPolarHBondContact O-CD 3.19Å
524D30.1Very low38Very low113 Ų113138 Ų13860%0.60475%0.754SS**  trans-91.4110.6162.3177.35000110.1E522 A526E522-D524 PolarHBondContact O-N 2.84Å; D524-A526 PolarHBondContact O-N 3.47Å; D524-A526 VanDerWaalsContact O-N 3.13Å; D524-A526 WeakPolarHBondContact OD1-CB 3.46Å; D524-A526 PolarHBondContact OD1-N 3.47Å
525P36.3Very low36.8Very low120 Ų120141 Ų14178%0.77977%0.768SS**THydrogen-bonded Turntrans-65.3-13-180-21.834.9000114.9E523 F527E523-P525 WeakPolarHBondContact O-CD 3.19Å; P525-F527 PolarHBondContact O-N 3.48Å
526A37Very low35.5Very low75 Ų75140.2 Ų140.262%0.6278%0.777SS**THydrogen-bonded Turntrans-74.1-22-171.300000114.7D524D524-A526 PolarHBondContact O-N 3.47Å; D524-A526 VanDerWaalsContact O-N 3.13Å; D524-A526 WeakPolarHBondContact OD1-CB 3.46Å; D524-A526 PolarHBondContact OD1-N 3.47Å
527F34.2Very low34.3Very low173 Ų173143.6 Ų143.676%0.75978%0.782SS**SBendtrans-84.7-34.8-166.3-164.3-107.9000115P525 A529P525-F527 PolarHBondContact O-N 3.48Å; F527-A529 VanDerWaalsContact C-N 3.26Å; F527-A529 PolarHBondContact O-N 3.38Å; F527-A529 VanDerWaalsContact O-N 3.17Å
528C32.9Very low33.3Very low114 Ų114142.3 Ų142.377%0.7779%0.785SS**G310 helixtrans-70.3-14-170.6-70.40000115.3K530C528-K530 VanDerWaalsContact C-N 3.29Å; C528-K530 PolarHBondContact O-N 2.99Å
529A34.8Very low32.3Very low95 Ų95142 Ų14279%0.78579%0.788SS**G310 helixtrans-74.9-3.2-170.900000116F527F527-A529 VanDerWaalsContact C-N 3.26Å; F527-A529 PolarHBondContact O-N 3.38Å; F527-A529 VanDerWaalsContact O-N 3.17Å
530K36.7Very low32.3Very low198 Ų198145.8 Ų145.886%0.86180%0.8SS**G310 helixtrans-117.20.2-162.9-108174.1-177.8169.60118.5C528C528-K530 VanDerWaalsContact C-N 3.29Å; C528-K530 PolarHBondContact O-N 2.99Å
531V35.2Very low32.1Very low128 Ų128144.1 Ų144.178%0.77680%0.801SS**SBendtrans-118.5-3.1-174.1-162.40000114.6G533V531-G533 PolarHBondContact O-N 2.93Å
532L32.6Very low31.9Very low184 Ų184142.7 Ų142.796%0.96380%0.804SS**SBendtrans-80.941.5170.1-79.4165.5000112.8
533G34.1Very low31.5Very low56 Ų56138.1 Ų138.158%0.57780%0.798SS**  trans-1259.8-160.700000117.3V531V531-G533 PolarHBondContact O-N 2.93Å
534K35.7Very low31.2Very low196 Ų196134.3 Ų134.385%0.85280%0.798SS**SBendtrans-175.3103.3167.1-100.5142.7-172.8176.10111.9
535F27Very low31.1Very low212 Ų212133.8 Ų133.893%0.9381%0.809SS**  175.3115.3126.4-99.9-66.5000108.5
536N26.8Very low30.8Very low156 Ų156132.8 Ų132.883%0.83481%0.811SS**  trans-156.1147.1179.5-156.8-16.8000109.5
537K29.6Very low30.4Very low187 Ų187138.6 Ų138.681%0.81383%0.826SS**  trans68.3139.9-161.5-53177.3180-179.80112.8
538V28.5Very low30.1Very low136 Ų136135.7 Ų135.782%0.82483%0.827SS**  cis-156.6152.9-3.21210000105.3
539S26Very low29.8Very low110 Ų110138 Ų13877%0.76983%0.831SS**  cis-155.217637.1-153.60000112.8
540T29.3Very low29.6Very low137 Ų137142.2 Ų142.284%0.8483%0.834SS**  trans-111.6134.3176.247.60000113.7
541A26.7Very low29.4Very low111 Ų111140.3 Ų140.392%0.91783%0.833SS**  trans-156.3157.3157.700000109.3
542S28.4Very low29.3Very low124 Ų124140 Ų14087%0.86783%0.827SS**  trans-129.6141.4-171.2179.10000112.4
543A27.8Very low29.5Very low93 Ų93137.9 Ų137.977%0.76981%0.812SS**  trans-171.9149.1138.700000112.9
544A26.2Very low29.4Very low102 Ų102141 Ų14184%0.84382%0.815SS**  trans-14.2155.2160.500000120
545A27.6Very low29.6Very low102 Ų102139.2 Ų139.284%0.84380%0.803SS**  cis-148.5168.17.200000111.6
546A29.6Very low30Very low99 Ų99134.1 Ų134.182%0.81879%0.785SS**  trans-134.6144.2166.200000109.9
547E28.8Very low30.6Very low198 Ų198131.1 Ų131.193%0.92577%0.767SS**  trans-109.1124.5165.8-72.4-170.6152.100109.6
548S28.6Very low30.9Very low112 Ų112127.8 Ų127.878%0.78376%0.757SS**  trans-142.5119164.855.90000107.2
549L25.6Very low31.5Very low163 Ų163125.7 Ų125.785%0.85375%0.745SS**  trans-69.2136.2162.2-83.175.5000108
550E31.5Very low31.9Very low182 Ų182128.6 Ų128.685%0.8575%0.752SS**  -162.3-178.3111-109.2166.7-153.200110.9
551D31.8Very low32.4Very low158 Ų158125.1 Ų125.185%0.84574%0.743SS**  trans-56.3158.8-156.3-82.3-44.1000117.5
552N34.2Very low32.8Very low122 Ų122129.7 Ų129.765%0.65274%0.736SS**  trans-144.9134.1163.7-97.2-94.9000109.8
553H36.7Very low33.9Very low140 Ų140128.7 Ų128.765%0.64872%0.72SS**  176.4109.593.8-89.4-57.2000112.7
554L32Very low34.7Very low122 Ų122130.3 Ų130.364%0.63971%0.714SS**  trans-126.7102.9135.8-76-176.6000107.7L556L554-L556 PolarHBondContact O-N 2.92Å
555R38.9Very low35.4Very low157 Ų157132.5 Ų132.559%0.59270%0.701SS**  trans-83.3110.1-169.9-162.8177.4-169.5172.83.6110.8
556L36.3Very low36Very low106 Ų106132.3 Ų132.356%0.55569%0.686SS**EExtended strand (participates in β ladder)trans-103.8134.4170.3-68.9-179.9000109L554 I563 I564 R565L554-L556 PolarHBondContact O-N 2.92Å; L556-I563 HydrophobicContact CB-CG2 3.63Å; L556-I563 HydrophobicContact CD1-CG2 4.12Å; L556-I563 HydrophobicContact CD2-CG2 4.08Å; L556-I563 HydrophobicContact CG-CG2 4.15Å; L556-I564 CarbonylContact C-O 3.52Å; L556-I564 WeakPolarHBondContact CA-O 3.35Å; L556-R565 HydrophobicContact CD2-CB 3.64Å; L556-R565 HydrophobicContact CD2-CG 3.97Å
557M38.9Very low36.4Very low92 Ų92134.5 Ų134.545%0.45368%0.683SS.*EExtended strand (participates in β ladder)trans-121137.8178.2-66.7-162.8-63.600110.8I563 I564M557-I563 CarbonylContact O-C 3.53Å; M557-I563 WeakPolarHBondContact O-CA 3.44Å; M557-I564 PolarHBondContact N-O 2.8Å; M557-I564 PolarHBondContact O-N 3.11Å
558L34.8Very low36.6Very low117 Ų117136.9 Ų136.961%0.61368%0.683SS**EExtended strand (participates in β ladder)trans-105118.1-175.1-158.3162.8000109.4R562 I563L558-R562 CarbonylContact C-O 3.5Å; L558-R562 VanDerWaalsContact CA-O 3.3Å; L558-R562 WeakPolarHBondContact CA-O 3.45Å; L558-I563 HydrophobicContact CB-CG1 4.03Å; L558-I563 HydrophobicContact CD1-CD1 4.04Å; L558-I563 HydrophobicContact CD1-CG1 3.84Å; L558-I563 HydrophobicContact CG-CD1 4.42Å; L558-I563 HydrophobicContact CG-CG1 3.67Å
559V42.3Very low36.7Very low93 Ų93143.5 Ų143.556%0.56469%0.691SS**EExtended strand (participates in β ladder)trans-126.8127.7-180-175.40000108.5G561 R562V559-G561 PolarHBondContact O-N 3.21Å; V559-R562 PolarHBondContact N-O 3.43Å; V559-R562 PolarHBondContact O-N 3.33Å
560N34.7Very low37.2Very low171 Ų171142.1 Ų142.191%0.91469%0.692SS**THydrogen-bonded Turntrans4736.7178.5-60-7.5000114.5
561G39.2Very low36.9Very low63 Ų63136.7 Ų136.765%0.64969%0.685SS**THydrogen-bonded Turntrans90.15.3177.800000116.5V559V559-G561 PolarHBondContact O-N 3.21Å
562R34.3Very low36.7Very low208 Ų208134.5 Ų134.579%0.78568%0.682SS**EExtended strand (participates in β ladder)trans-132.9156.9175.2-69.6-173.6175.2-178.9-1.8112.7L558 V559L558-R562 CarbonylContact C-O 3.5Å; L558-R562 VanDerWaalsContact CA-O 3.3Å; L558-R562 WeakPolarHBondContact CA-O 3.45Å; V559-R562 PolarHBondContact N-O 3.43Å; V559-R562 PolarHBondContact O-N 3.33Å
563I51.9Low36.3Very low102 Ų102133.9 Ų133.952%0.52369%0.687SS.*EExtended strand (participates in β ladder)trans-112.2137.2-168.6-62.2176.3000111.7L556 M557 L558L556-I563 HydrophobicContact CB-CG2 3.63Å; L556-I563 HydrophobicContact CD1-CG2 4.12Å; L556-I563 HydrophobicContact CD2-CG2 4.08Å; L556-I563 HydrophobicContact CG-CG2 4.15Å; M557-I563 CarbonylContact O-C 3.53Å; M557-I563 WeakPolarHBondContact O-CA 3.44Å; L558-I563 HydrophobicContact CB-CG1 4.03Å; L558-I563 HydrophobicContact CD1-CD1 4.04Å; L558-I563 HydrophobicContact CD1-CG1 3.84Å; L558-I563 HydrophobicContact CG-CD1 4.42Å; L558-I563 HydrophobicContact CG-CG1 3.67Å
564I44.8Very low36.8Very low127 Ų127132.7 Ų132.765%0.65169%0.692SS**EExtended strand (participates in β ladder)trans-140.2160.1178.5-45.5173.6000110.5L556 M557L556-I564 CarbonylContact C-O 3.52Å; L556-I564 WeakPolarHBondContact CA-O 3.35Å; M557-I564 PolarHBondContact N-O 2.8Å; M557-I564 PolarHBondContact O-N 3.11Å
565R41.8Very low36.7Very low148 Ų148133.5 Ų133.556%0.55870%0.702SS**EExtended strand (participates in β ladder)trans-113.9148-173-167.8165.3163.7176.2-9.2112.8L556L556-R565 HydrophobicContact CD2-CB 3.64Å; L556-R565 HydrophobicContact CD2-CG 3.97Å
566D39.2Very low36.2Very low99 Ų99134 Ų13453%0.52971%0.708SS.*  trans-129.9157.5-176.6-17320.4000113
567L37.1Very low35.8Very low145 Ų145134.5 Ų134.576%0.75972%0.716SS**  trans-153.2105.6-166.1-81.9171.2000115
568R33.7Very low35.4Very low247 Ų247137.2 Ų137.293%0.93273%0.727SS**  trans-148.3159.8158.3-62-168.6-168.7-155.20.8111.9
569R30.7Very low35.2Very low251 Ų251135.1 Ų135.195%0.94773%0.734SS**  trans-109.1150.2-177.3-67.7-179176.6175.9-1.9113.2
570P36.5Very low34.7Very low135 Ų135137.6 Ų137.688%0.87775%0.749SS**  trans-105.8-180174.240.6-34.9000114.3
571G25.2Very low34.4Very low68 Ų68135 Ų13570%0.70174%0.735SS**  trans-168.7157.9171.200000117.6
572S27.2Very low34Very low112 Ų112139.6 Ų139.678%0.78374%0.74SS**  trans63.8117.7154.2600000124.2
573S25.6Very low33.8Very low109 Ų109134.8 Ų134.876%0.76274%0.738SS**  78.8176129.483.20000120.6
574P46.7Very low33.7Very low114 Ų114135.2 Ų135.274%0.7475%0.748SS**  cis-140.4165.3-33.530.5-10.7000116.8
575V30.8Very low34Very low140 Ų140133.9 Ų133.985%0.84875%0.747SS**  trans-156.4121.3149.9-171.20000106.9
576K29.1Very low33.4Very low166 Ų166135.5 Ų135.572%0.72276%0.758SS**  60.9145.274.6-74.1-153.5169.9-1520115.6E578K576-E578 WeakPolarHBondContact CE-OE1 3.2Å; K576-E578 IonicContact NZ-OE1 2.86Å; K576-E578 PolarHBondContact NZ-OE1 2.61Å
577T27.5Very low32.9Very low117 Ų117135.2 Ų135.272%0.71876%0.764SS**  cis-129.6140.418.735.50000112.6
578E30.2Very low32.5Very low149 Ų149134.3 Ų134.370%0.69677%0.765SS**  56.4124.790-64.2172.8-144.300115.4K576K576-E578 WeakPolarHBondContact CE-OE1 3.2Å; K576-E578 IonicContact NZ-OE1 2.86Å; K576-E578 PolarHBondContact NZ-OE1 2.61Å
579G30.5Very low32.3Very low73 Ų73126.6 Ų126.675%0.75375%0.754SS**  cis-151-151.7-6.500000109
580V31.8Very low32.2Very low145 Ų145122.5 Ų122.588%0.87975%0.745SS**  cis-159.2176.8-2.8-137.20000105.3
581D29.5Very low31.8Very low118 Ų118124.3 Ų124.363%0.63174%0.739SS**  cis-159.7-175.52.4-169.116.8000109.7
582Q29.4Very low32Very low158 Ų158125.7 Ų125.774%0.73874%0.744SS**  trans39.474.1155.2-81.517484.900117.9
583S31.2Very low31.9Very low107 Ų107126.2 Ų126.275%0.74875%0.748SS**  77.615868.6101.90000114.7
584P48.9Very low31.9Very low112 Ų112128 Ų12873%0.72775%0.748SS**  -137.8-128-115.437.2-11.4000111.2
585P51.7Low31Very low98 Ų98129.7 Ų129.764%0.63675%0.75SS**  cis-134.1170.6-30.729.6-8.4000116.1
586K28.8Very low30.8Very low183 Ų183134 Ų13480%0.79675%0.751SS**  153.4118.7122.3-81.1179.3-177.3179.70110.6
587S29.2Very low30.5Very low92 Ų92137.1 Ų137.164%0.64376%0.758SS**  cis84.4133.648.479.30000113
588T28.5Very low30.6Very low127 Ų127139.1 Ų139.178%0.77976%0.764SS**  cis-172166.36.55.80000112.1
589A30.4Very low30.4Very low85 Ų85139.2 Ų139.270%0.70276%0.764SS**  trans67.6134.8150.800000118.7
590E28.6Very low30.3Very low164 Ų164145.2 Ų145.277%0.76676%0.764SS**  cis76.6147.245.9-71.8-151124.600115.2
591K27.8Very low29.9Very low174 Ų174145 Ų14576%0.75776%0.762SS**  cis-175.3158.1-27.2-157.9169.2-173.2173.70109.3
592A28.6Very low29.8Very low96 Ų96146.7 Ų146.779%0.79376%0.764SS**  trans63.6138.915800000121.2
593S25.3Very low29.6Very low124 Ų124145 Ų14587%0.86776%0.76SS**  trans-164.2173.9132.3-162.20000110.8
594L25.8Very low29.6Very low147 Ų147145.6 Ų145.677%0.7775%0.751SS**  trans-131.8153.9-166.6-90.5165.3000113.6
595L27.8Very low28.6Very low148 Ų148147.3 Ų147.378%0.77575%0.754SS**  trans59123.6152.4-65.9162000119.9
596R25.4Very low27.5Very low230 Ų230152 Ų15287%0.86876%0.759SS**  176.4129107-96171.1-169.2-155.23.4115.9
597R24.5Very low27.4Very low233 Ų233149.5 Ų149.588%0.87975%0.75SS**  65.4137.6126.2-149.2174.1-165.4169.64.2121.5
598L29Very low27.4Very low159 Ų159153.5 Ų153.583%0.83276%0.758SS**  trans-60.2151.9175-56.4116.7000115
599E25.3Very low27.4Very low151 Ų151152.7 Ų152.771%0.70675%0.753SS**  -170.5151.6116-110.4-166.1116.700115.2
600R27.8Very low27.5Very low198 Ų198154.6 Ų154.675%0.74776%0.762SS**  trans72.7125.3145.4-74.8-176.1-157.5172.820.3125.5
601V24.9Very low27.4Very low140 Ų140149.8 Ų149.885%0.84876%0.756SS**  89.9149.9125.9170.80000119.3
602K26.7Very low27.4Very low154 Ų154150.6 Ų150.667%0.6776%0.762SS**  trans-125.4149.1-167.4174.6-149.8-179.9-136.20108.3E604K602-E604 IonicContact NZ-OE1 3.32Å; K602-E604 PolarHBondContact NZ-OE1 3.13Å
603N25.4Very low27.5Very low122 Ų122150.2 Ų150.265%0.65275%0.753SS**  trans176.6126.2142.9-98.625.9000108.7
604E30.3Very low27.6Very low121 Ų121149.1 Ų149.157%0.56575%0.746SS**  82148.978.3-76.5168.1-161.400112.5K602K602-E604 IonicContact NZ-OE1 3.32Å; K602-E604 PolarHBondContact NZ-OE1 3.13Å
605L29.1Very low27.8Very low148 Ų148148.8 Ų148.878%0.77575%0.75SS**  cis-162.7-17321-135.3165.8000112.3
606R27.9Very low27.8Very low197 Ų197145.9 Ų145.974%0.74374%0.742SS**  trans89.1140.4163.5-45.7-169.494.2170-1.2117.7
607E26.8Very low28Very low130 Ų130141.4 Ų141.461%0.60774%0.735SS**  cis-158.3136.7-13.6-112.2158.6-173.800107.4
608E30.1Very low28.3Very low175 Ų175136.2 Ų136.282%0.81873%0.729SS**  56.7146.586.5-51.7-148.1153.400116.7
609T28.2Very low28.5Very low111 Ų111137.1 Ų137.168%0.68173%0.729SS**  cis-157157.130.130.20000114.9
610S31.3Very low28.8Very low125 Ų125134.8 Ų134.887%0.87473%0.729SS**  trans65.2152.6148.670.20000122.6
611G27.5Very low28.8Very low63 Ų63132.2 Ų132.265%0.64973%0.73SS**  cis164.9151-13.600000116.7
612H28.8Very low29.1Very low191 Ų191130.1 Ų130.188%0.88472%0.722SS**  trans67.1162.1162.8-71.4-80.2000121.8
613S29.6Very low29.1Very low87 Ų87130.6 Ų130.661%0.60873%0.732SS**  -179.2150.7-5653.40000114.1
614S27.9Very low29.4Very low102 Ų102130.3 Ų130.371%0.71374%0.739SS**  trans106.7139.1145.4-54.80000123
615V28.8Very low29.8Very low139 Ų139130.5 Ų130.584%0.84275%0.751SS**  trans60.7149.5152.5-64.90000122.8
616S28.9Very low29.8Very low87 Ų87128.1 Ų128.161%0.60875%0.746SS**  cis-172.5167.4-22.659.30000114.9
617D28.8Very low29.7Very low137 Ų137127.4 Ų127.473%0.73375%0.752SS**  trans81150.2148.8-49.8-39.4000126.4
618V32Very low29.7Very low123 Ų123124.7 Ų124.775%0.74575%0.747SS**  trans58.5136.5170.9-55.50000120.5
619E31.8Very low29.6Very low179 Ų179125.6 Ų125.684%0.83675%0.748SS**  cis91.113622.6-60.7167.5117.600114.6
620S31.7Very low29.6Very low102 Ų102125 Ų12571%0.71375%0.749SS**  cis-158.2-174.75.5-1690000112.8
621D28.6Very low29.4Very low144 Ų144123.6 Ų123.677%0.7774%0.739SS**  trans78.9159.7152.9-61.8-12000121.8
622S30.3Very low29.4Very low95 Ų95125.4 Ų125.466%0.66474%0.742SS**  cis-172.4172.2-35.3-92.50000112.6
623D26.8Very low29.4Very low165 Ų165121.5 Ų121.588%0.88274%0.736SS**  trans79.4150.7156.9-75.9-28.4000125.1
624S31.3Very low29.4Very low116 Ų116121.9 Ų121.981%0.81174%0.739SS**  trans-138.8145.5-179-62.30000113.2
625P39.8Very low29.4Very low124 Ų124121.6 Ų121.681%0.80574%0.737SS**  trans-137.8162.9154.235.8-20.3000114
626S28.9Very low29.5Very low98 Ų98119.4 Ų119.469%0.68573%0.727SS**  cis-171.5129.5-22.253.20000111.5
627E26.7Very low29.5Very low183 Ų183122 Ų12286%0.85573%0.734SS**  trans62178.2158.3-59.1-167.9144.100120
628S26.5Very low29.6Very low73 Ų73122.2 Ų122.251%0.5174%0.735SS.*  -162.5155.3-63.374.90000111.7
629K27.1Very low29.6Very low194 Ų194123 Ų12384%0.84374%0.735SS**  trans67.1159.9160-68.7161.3-169.8158.90116.2
630S27.6Very low29.7Very low98 Ų98119 Ų11969%0.68573%0.727SS**  cis-161164.7-10.142.30000112.9
631S28.6Very low29.5Very low96 Ų96122.4 Ų122.467%0.67173%0.732SS**  trans61.3106.4139.862.20000122.4
632S28Very low29.4Very low101 Ų101120.9 Ų120.971%0.70673%0.733SS**  61.5144.9123.664.20000123.4
633S28.5Very low29.3Very low109 Ų109120.9 Ų120.976%0.76273%0.733SS**  trans64.6150.6156.4430000117.8
634S28.1Very low29.4Very low95 Ų95120.8 Ų120.866%0.66473%0.727SS**  cis-171.2155.8-19.1490000109.1
635S27.8Very low29.2Very low96 Ų96123.9 Ų123.967%0.67173%0.729SS**  trans54.8145.9151.7580000120.6
636S31Very low28.7Very low93 Ų93126 Ų12665%0.6573%0.728SS**  trans64.3149.5149.5600000120.2
637D30.1Very low28.7Very low140 Ų140129.4 Ų129.475%0.74974%0.738SS**  cis-164.4158.6-29.4-95.2-35.7000106.8
638D31.1Very low28.8Very low142 Ų142129.5 Ų129.576%0.75974%0.739SS**  trans60.5158.8155.2-70.2-40.8000123
639D31.2Very low28.9Very low139 Ų139134.5 Ų134.574%0.74375%0.754SS**  trans70.289.3149.1-77.7-38.5000123.5
640S33.9Very low28.9Very low96 Ų96133.5 Ų133.567%0.67175%0.752SS**  89.3135.396-71.90000123.3
641E28Very low28.8Very low173 Ų173135.3 Ų135.381%0.80875%0.75SS**  trans60.9113.5146-65.8-166.713300123
642S26.2Very low28.7Very low113 Ų113137.4 Ų137.479%0.7975%0.749SS**  trans71.9160.613878.60000118
643S28.9Very low28.5Very low94 Ų94139.7 Ų139.766%0.65775%0.749SS**  cis-129147.62.2-740000109.8
644Q27.5Very low28.4Very low163 Ų163141.6 Ų141.676%0.76275%0.745SS**  31.6109.8102.1-55.6-173.3-93.600116.3
645E28.3Very low28.2Very low182 Ų182144.1 Ų144.185%0.8575%0.752SS**  -169.7113.8123.4-96.7159-152.500103.9
646E28.6Very low28.1Very low168 Ų168142.5 Ų142.579%0.78575%0.75SS**  63.5100.775.9-69.5-173.9-164.100112.7
647D29.3Very low27.8Very low170 Ų170144.5 Ų144.591%0.90976%0.764SS**  trans-154.5155.2131.7-115-29.1000109.3
648E28.6Very low27.5Very low185 Ų185141.1 Ų141.186%0.86476%0.762SS**  trans-105.3-158.7-164.8-57.7-169.3112.300113.8
649E28.4Very low27.3Very low177 Ų177143 Ų14383%0.82777%0.766SS**  trans72.7115.1172.2-58.8-171.9177.400115.9
650E27.1Very low26.9Very low174 Ų174140 Ų14081%0.81376%0.756SS**  73.5134.765.4-73.5-162.4-18000113.2
651E25.3Very low26.6Very low135 Ų135142.6 Ų142.663%0.63176%0.759SS**  cis-156.9-177-10.2-143.6-151.215400109.6
652Q26.1Very low26.4Very low141 Ų141140.5 Ų140.566%0.65975%0.753SS**  trans67.6119.7158.4-71.6168.953.800116.9
653Q25.3Very low26.4Very low148 Ų148141.5 Ų141.569%0.69275%0.749SS**  60.1135.386.3-64.2-17749.400113.4
654Q26.7Very low26.2Very low149 Ų149142.3 Ų142.370%0.69675%0.746SS**  cis-161.4172.232.3-142.216875.300112.9
655N23.4Very low26.2Very low149 Ų149142 Ų14280%0.79775%0.745SS**  trans-4.5134.7158.8-58.6-31.7000117.4
656G24.2Very low26.1Very low61 Ų61138.6 Ų138.663%0.62974%0.741SS**  cis133170.836.600000110.1
657S25.4Very low26Very low136 Ų136134.1 Ų134.195%0.95174%0.74SS**  trans60.5141.2-17966.30000117.2
658G24.4Very low26Very low69 Ų69134.6 Ų134.671%0.71174%0.737SS**  cis142.8154-2.700000111.8
659H26Very low25.9Very low182 Ų182135.3 Ų135.384%0.84374%0.737SS**  trans64.1160.7-174.5-100.340.6000115
660S24.3Very low25.8Very low76 Ų76133.5 Ų133.553%0.53173%0.733SS.*  cis-176.3165.2-37.5-167.20000107.5
661M25.9Very low25.5Very low150 Ų150134.2 Ų134.274%0.73973%0.728SS**  trans66.1152.3165.9-69.8169.5-81.300116.4
662D25.3Very low25.6Very low128 Ų128137.2 Ų137.268%0.68474%0.741SS**  cis-167.2178.5-38.5-124.3-39.6000108.5
663L25.5Very low25.6Very low135 Ų135138.2 Ų138.271%0.70774%0.743SS**  trans30.7133.3140.2-62164.5000119.6
664D24.7Very low25.6Very low110 Ų110140.1 Ų140.159%0.58875%0.752SS**  cis-168.8-18010.3-143.4-12.6000115
665Q26.6Very low25.8Very low157 Ų157142.4 Ų142.473%0.73476%0.76SS**  trans-4.4154.1136.7-73.7167.183.500118.8
666S26.8Very low26Very low111 Ų111141.1 Ų141.178%0.77676%0.76SS**  cis-176.9179.3-3.355.10000109
667G25.6Very low26.2Very low74 Ų74146.2 Ų146.276%0.76377%0.771SS**  trans177.839.617600000121.7
668Q31Very low26.3Very low179 Ų179149.7 Ų149.784%0.83677%0.769SS**  trans-7.7135158.6-58.6-179.76.800120.7
669K26.2Very low26.6Very low200 Ų200157.7 Ų157.787%0.8778%0.778SS**  -178.5158.3129.2-95154.2-166.6165.70108.7
670L25.1Very low26.7Very low140 Ų140157.5 Ų157.573%0.73378%0.778SS**  cis-147.113211.7-127.3162.3000111.1
671R22.6Very low27.2Very low188 Ų188165 Ų16571%0.70979%0.794SS**  trans20.8132.9155.3-71.9174.6173-174.90.2121.2
672H26.8Very low27.4Very low199 Ų199163.8 Ų163.892%0.92180%0.797SS**  -125.5154.9113.1-108-98.8000110.8
673K25.3Very low28Very low161 Ų161163.9 Ų163.970%0.780%0.803SS**  trans-98.3125-174-70.9176.3177.8173.20111.9
674H26.6Very low28.9Very low188 Ų188162.6 Ų162.687%0.8781%0.805SS**  trans-131.6144.5150.4-89.6-96.7000110.1
675K29.7Very low29.9Very low198 Ų198161.7 Ų161.786%0.86181%0.805SS**PPolyproline II helixtrans-86.1123177.5-69179.7178.8178.50109.6
676P27.2Very low31Very low122 Ų122156.9 Ų156.979%0.79279%0.789SS**PPolyproline II helixtrans-75.9124.4160.330.4-30.4000109.1K678P676-K678 PolarHBondContact O-N 3.36Å
677L29.6Very low31.8Very low167 Ų167157 Ų15787%0.87479%0.785SS**PPolyproline II helixtrans-74.1120167.5-74.3166.9000108.5R679L677-R679 PolarHBondContact O-N 2.98Å; L677-R679 VanDerWaalsContact O-N 3.11Å
678K27.3Very low32.6Very low210 Ų210161.2 Ų161.291%0.91379%0.785SS**  trans-65.4109162-77-171.6174.7-172.40107.9P676P676-K678 PolarHBondContact O-N 3.36Å
679R29.9Very low33.5Very low237 Ų237158.4 Ų158.489%0.89477%0.772SS**  trans-108.8119.8157.3-166.6174.5-171.5176.61.4106.7L677L677-R679 PolarHBondContact O-N 2.98Å; L677-R679 VanDerWaalsContact O-N 3.11Å
680E29.1Very low34.5Very low178 Ų178151 Ų15183%0.83275%0.748SS**PPolyproline II helixtrans-66.8142178.6-66.8172.4148.700109.2
681R33.7Very low35.6Very low233 Ų233148.4 Ų148.488%0.87973%0.734SS**PPolyproline II helixtrans-69.9132173.4-66.7178.1177.7171.7-2.7107.6T683R681-T683 PolarHBondContact O-N 2.94Å
682P31.2Very low36.7Very low124 Ų124144.2 Ų144.281%0.80572%0.723SS**PPolyproline II helixtrans-60.4128.5160.128.1-31.7000107.5
683T38.3Very low37.9Very low130 Ų130136.5 Ų136.580%0.79870%0.697SS**PPolyproline II helixtrans-63.7147167.139.90000109.4R681R681-T683 PolarHBondContact O-N 2.94Å
684S42.8Very low38.8Very low109 Ų109134.9 Ų134.976%0.76269%0.693SS**PPolyproline II helixtrans-50.5143.3172.1-44.70000110.7
685P45.8Very low39.7Very low91 Ų91129.1 Ų129.159%0.59167%0.668SS**PPolyproline II helixtrans-58.3146.1174.326.1-34.4000110.1E689P685-E689 HydrophobicContact CB-CB 4.06Å
686S49.8Very low40.7Very low55 Ų55123.3 Ų123.339%0.38565%0.653SS.*PPolyproline II helixtrans-63.7159.3172.765.70000111E688 E689 A690S686-E688 PolarHBondContact O-N 3.13Å; S686-E688 VanDerWaalsContact O-N 3.13Å; S686-E689 VanDerWaalsContact CB-OE2 3.26Å; S686-E689 WeakPolarHBondContact CB-OE2 3.32Å; S686-E689 PolarHBondContact N-OE2 3.37Å; S686-E689 PolarHBondContact O-N 2.91Å; S686-E689 VanDerWaalsContact O-N 3.13Å; S686-E689 WeakPolarHBondContact OG-CG 2.9Å; S686-E689 PolarHBondContact OG-N 3.38Å; S686-E689 PolarHBondContact OG-OE2 3.03Å; S686-A690 PolarHBondContact O-N 3.23Å
687T44.3Very low41.4Very low115 Ų115125.5 Ų125.571%0.70666%0.655SS**Hα-helixtrans-57.2-30.4177.8-23.70000112.3I691T687-I691 WeakPolarHBondContact O-CB 3.21Å; T687-I691 WeakPolarHBondContact O-CD1 3.48Å; T687-I691 WeakPolarHBondContact O-CG1 3.19Å; T687-I691 PolarHBondContact O-N 2.83Å
688E43.1Very low42Very low161 Ų161120.6 Ų120.675%0.75264%0.638SS**Hα-helixtrans-73-41.8178.8-166163.6-162.600111.8S686 I691 Q692S686-E688 PolarHBondContact O-N 3.13Å; S686-E688 VanDerWaalsContact O-N 3.13Å; E688-I691 PolarHBondContact O-N 3.41Å; E688-Q692 WeakPolarHBondContact O-CB 3.47Å; E688-Q692 PolarHBondContact O-N 3.31Å
689E49.8Very low42.6Very low121 Ų121113.6 Ų113.657%0.56563%0.626SS**Hα-helixtrans-66.1-37.7172.7-69.5161.8121.500112P685 S686 Q692 G693P685-E689 HydrophobicContact CB-CB 4.06Å; S686-E689 VanDerWaalsContact CB-OE2 3.26Å; S686-E689 WeakPolarHBondContact CB-OE2 3.32Å; S686-E689 PolarHBondContact N-OE2 3.37Å; S686-E689 PolarHBondContact O-N 2.91Å; S686-E689 VanDerWaalsContact O-N 3.13Å; S686-E689 WeakPolarHBondContact OG-CG 2.9Å; S686-E689 PolarHBondContact OG-N 3.38Å; S686-E689 PolarHBondContact OG-OE2 3.03Å; E689-Q692 PolarHBondContact O-N 3.36Å; E689-G693 PolarHBondContact O-N 3.01Å
690A46.8Very low43.1Very low45 Ų45108.4 Ų108.437%0.37262%0.615SS.*Hα-helixtrans-64.4-42.6174.100000112.1S686 G693 M694S686-A690 PolarHBondContact O-N 3.23Å; A690-G693 PolarHBondContact O-N 2.92Å; A690-M694 WeakPolarHBondContact O-CG 3.45Å; A690-M694 PolarHBondContact O-N 3.41Å
691I48.2Very low43.4Very low84 Ų84104 Ų10443%0.43160%0.597SS.*Hα-helixtrans-63.4-43.8174-72.3163.1000110.8T687 E688 G693 M694 L695T687-I691 WeakPolarHBondContact O-CB 3.21Å; T687-I691 WeakPolarHBondContact O-CD1 3.48Å; T687-I691 WeakPolarHBondContact O-CG1 3.19Å; T687-I691 PolarHBondContact O-N 2.83Å; E688-I691 PolarHBondContact O-N 3.41Å; I691-G693 VanDerWaalsContact C-N 3.31Å; I691-G693 PolarHBondContact O-N 3.17Å; I691-M694 HydrophobicContact CG1-CE 4.03Å; I691-M694 PolarHBondContact O-N 2.91Å; I691-L695 HydrophobicContact CG2-CD1 3.83Å; I691-L695 HydrophobicContact CG2-CG 4.33Å; I691-L695 WeakPolarHBondContact O-CG 3.32Å; I691-L695 PolarHBondContact O-N 2.8Å
692Q46.4Very low43.4Very low101 Ų101102.4 Ų102.447%0.47260%0.599SS.*Hα-helixtrans-61.5-39.4176.9-170.364.41700112.1E688 E689 L695 S696E688-Q692 WeakPolarHBondContact O-CB 3.47Å; E688-Q692 PolarHBondContact O-N 3.31Å; E689-Q692 PolarHBondContact O-N 3.36Å; Q692-L695 PolarHBondContact O-N 2.82Å; Q692-S696 WeakPolarHBondContact O-CB 3.44Å; Q692-S696 PolarHBondContact O-N 3.19Å
693G51.4Low43.3Very low37 Ų37105.6 Ų105.638%0.38160%0.604SS.*Hα-helixtrans-61.1-47.3172.700000112.8E689 A690 I691 L695 S696 M697E689-G693 PolarHBondContact O-N 3.01Å; A690-G693 PolarHBondContact O-N 2.92Å; I691-G693 VanDerWaalsContact C-N 3.31Å; I691-G693 PolarHBondContact O-N 3.17Å; G693-L695 PolarHBondContact O-N 2.9Å; G693-S696 PolarHBondContact O-N 2.96Å; G693-M697 WeakPolarHBondContact O-CG 3.45Å; G693-M697 PolarHBondContact O-N 3.34Å
694M43.3Very low42.8Very low127 Ų127103.9 Ų103.963%0.62660%0.603SS**Hα-helixtrans-62.3-41.8176.4-69.5-171.5-63.100112.6A690 I691 S696 M697 A698A690-M694 WeakPolarHBondContact O-CG 3.45Å; A690-M694 PolarHBondContact O-N 3.41Å; I691-M694 HydrophobicContact CG1-CE 4.03Å; I691-M694 PolarHBondContact O-N 2.91Å; M694-S696 VanDerWaalsContact C-N 3.34Å; M694-S696 PolarHBondContact O-N 3.29Å; M694-M697 PolarHBondContact O-N 3.33Å; M694-A698 WeakPolarHBondContact O-CB 3.37Å; M694-A698 PolarHBondContact O-N 2.87Å
695L46.2Very low42.2Very low66 Ų66104.9 Ų104.935%0.34661%0.606SS.*Hα-helixtrans-66.7-34.6177.9-70.1171.8000112.5I691 Q692 G693 A698 G699 L700I691-L695 HydrophobicContact CG2-CD1 3.83Å; I691-L695 HydrophobicContact CG2-CG 4.33Å; I691-L695 WeakPolarHBondContact O-CG 3.32Å; I691-L695 PolarHBondContact O-N 2.8Å; Q692-L695 PolarHBondContact O-N 2.82Å; G693-L695 PolarHBondContact O-N 2.9Å; L695-A698 PolarHBondContact O-N 3.13Å; L695-G699 PolarHBondContact O-N 3.33Å; L695-L700 HydrophobicContact CD2-CB 4.47Å; L695-L700 HydrophobicContact CD2-CD1 4.46Å; L695-L700 PolarHBondContact O-N 3.15Å; L695-L700 VanDerWaalsContact O-N 3.12Å
696S50.7Low41.2Very low77 Ų77106 Ų10654%0.53862%0.616SS.*Hα-helixtrans-67.1-41.6172-168.10000112.1Q692 G693 M694 A698 G699Q692-S696 WeakPolarHBondContact O-CB 3.44Å; Q692-S696 PolarHBondContact O-N 3.19Å; G693-S696 PolarHBondContact O-N 2.96Å; M694-S696 VanDerWaalsContact C-N 3.34Å; M694-S696 PolarHBondContact O-N 3.29Å; S696-A698 VanDerWaalsContact C-N 3.31Å; S696-A698 PolarHBondContact O-N 3.18Å; S696-G699 PolarHBondContact O-N 3.27Å
697M42.1Very low40.3Very low168 Ų168109.1 Ų109.183%0.82864%0.635SS**Hα-helixtrans-69.2-28.5176.5-69.9-67.6-73.300112.8G693 M694 G699G693-M697 WeakPolarHBondContact O-CG 3.45Å; G693-M697 PolarHBondContact O-N 3.34Å; M694-M697 PolarHBondContact O-N 3.33Å; M697-G699 VanDerWaalsContact C-N 3.31Å
698A42.6Very low39.4Very low63 Ų63111.9 Ų111.952%0.52164%0.64SS.*THydrogen-bonded Turntrans-79-9.3174.100000114M694 L695 S696 L700M694-A698 WeakPolarHBondContact O-CB 3.37Å; M694-A698 PolarHBondContact O-N 2.87Å; L695-A698 PolarHBondContact O-N 3.13Å; S696-A698 VanDerWaalsContact C-N 3.31Å; S696-A698 PolarHBondContact O-N 3.18Å; A698-L700 VanDerWaalsContact C-N 3.34Å; A698-L700 HydrophobicContact CB-CD1 3.92Å; A698-L700 HydrophobicContact CB-CG 3.96Å
699G40.4Very low38.5Very low64 Ų64112 Ų11266%0.6665%0.646SS**THydrogen-bonded Turntrans69.825.9-177.700000114.4L695 S696 M697L695-G699 PolarHBondContact O-N 3.33Å; S696-G699 PolarHBondContact O-N 3.27Å; M697-G699 VanDerWaalsContact C-N 3.31Å
700L39.2Very low37.2Very low128 Ų128109.3 Ų109.367%0.6764%0.641SS**  trans-100.625.8-172.5-64.5177000114L695 A698L695-L700 HydrophobicContact CD2-CB 4.47Å; L695-L700 HydrophobicContact CD2-CD1 4.46Å; L695-L700 PolarHBondContact O-N 3.15Å; L695-L700 VanDerWaalsContact O-N 3.12Å; A698-L700 VanDerWaalsContact C-N 3.34Å; A698-L700 HydrophobicContact CB-CD1 3.92Å; A698-L700 HydrophobicContact CB-CG 3.96Å
701L35.1Very low36.1Very low85 Ų85119.4 Ų119.445%0.44567%0.669SS.*  trans-114.9116.9176.3-67.4168.6000109.7
702E34.1Very low35Very low199 Ų199126.9 Ų126.993%0.9369%0.692SS**PPolyproline II helixtrans-76.3130.9167.9-70-166.1142.700110.3
703E30.1Very low34Very low192 Ų192126.8 Ų126.890%0.89771%0.708SS**PPolyproline II helixtrans-75.2128.1173.9-68.1-166.6144.900111.8
704A27.6Very low32.8Very low94 Ų94127.9 Ų127.978%0.77772%0.72SS**PPolyproline II helixtrans-86.5129.9165.800000109.9
705P30.4Very low32Very low130 Ų130127.7 Ų127.784%0.84473%0.731SS**PPolyproline II helixtrans-79.2142.1-168.830.5-36000113.5
706S24.2Very low31Very low114 Ų114130 Ų13080%0.79775%0.749SS**  trans-134.7160161.671.80000109.8
707P30.1Very low29.9Very low121 Ų121134 Ų13479%0.78676%0.759SS**  trans-87170.3-146.933.6-37.4000115.7
708Q25.4Very low29.1Very low172 Ų172136.6 Ų136.680%0.80476%0.759SS**  trans-34.9143.2171.2-54.3169.1-81.700114.3
709D24.5Very low28.3Very low164 Ų164138.3 Ų138.388%0.87777%0.767SS**  -135.4158.7115.3-134.1-30.7000110.8
710S23.3Very low27.6Very low65 Ų65142.1 Ų142.146%0.45577%0.772SS.*  trans-130.4142.7-169.9-48.10000111
711W23.2Very low27Very low257 Ų257144.7 Ų144.797%0.97378%0.78SS**  trans-159.4156.6140.5-90.7-17.8000114.2
712W25.7Very low26.6Very low241 Ų241144.7 Ų144.791%0.91380%0.801SS**  trans-91.6179.3-177-50.974.3000109.6
713A25.5Very low26.2Very low98 Ų98138.6 Ų138.681%0.8179%0.791SS**  cis-155.3-178.14.400000107.2
714G25.2Very low26Very low61 Ų61139 Ų13963%0.62979%0.79SS**  cis156.1-169.32.700000111.3
715S26.6Very low25.9Very low123 Ų123139.3 Ų139.386%0.8679%0.787SS**  trans74.6155.7178.581.40000117.7
716T25.4Very low26.7Very low115 Ų115137.9 Ų137.971%0.70678%0.777SS**  173.8146.3-66.5-82.50000110.1
717Q28.2Very low27Very low161 Ų161140 Ų14075%0.75278%0.777SS**  trans70.1158172.7-77.8169.535.100115.8
718R24.5Very low26.9Very low222 Ų222141.2 Ų141.284%0.83878%0.776SS**  cis-143.5164.312.2-145.7168-1741781.6112.5
719S25.3Very low27.3Very low98 Ų98137.7 Ų137.769%0.68577%0.771SS**  trans-118.2155.7175.2175.40000110.9
720L26Very low27.5Very low145 Ų145139.8 Ų139.876%0.75978%0.775SS**  trans169.7111.3153.3-90.2157.5000106.6
721Q27.2Very low27.7Very low182 Ų182140.4 Ų140.485%0.8579%0.793SS**  68.7121.778.8-71.8-166.6-2.600116.5
722G25.5Very low27.9Very low85 Ų85136 Ų13688%0.87679%0.788SS**  trans172.9137.1166.900000109.3
723G25.4Very low28Very low71 Ų71128.9 Ų128.973%0.73278%0.775SS**  trans170.5-172-178.300000115.6
724K26.1Very low28.2Very low199 Ų199129.1 Ų129.187%0.86577%0.771SS**  trans75.3127.5-169-57.8179.4179.7-179.20112.5
725S26.4Very low28.5Very low102 Ų102130.8 Ų130.871%0.71377%0.773SS**  cis73.9156.643.285.80000112.9
726P47.8Very low28.8Very low99 Ų99133 Ų13364%0.64377%0.769SS**  cis-145.9-169.618.343.1-22.7000117.5
727M29.4Very low29.1Very low160 Ų160131.1 Ų131.179%0.78877%0.766SS**  trans72.6154.5148.4-83150.2150.600119.5
728D28.1Very low29.2Very low145 Ų145134 Ų13478%0.77577%0.77SS**  cis-130.2178.413.8-113.3-42.7000115.1
729S33.4Very low29.3Very low99 Ų99130.8 Ų130.869%0.69277%0.769SS**  trans-138.7145.9-168.662.20000115.8
730Q29.2Very low29.7Very low207 Ų207133.1 Ų133.197%0.96777%0.774SS**  trans178.9164.9155.7-107.3166.645.800112.6
731G27.3Very low29.9Very low79 Ų79135 Ų13581%0.81478%0.779SS**  trans131.5141.1162.800000115.4
732N27.8Very low29.9Very low163 Ų163129.8 Ų129.887%0.87277%0.774SS**  trans-141140.7-174.3-161.425.8000112
733S28.6Very low30.2Very low92 Ų92133.9 Ų133.964%0.64377%0.774SS**  trans50.6134.3155.9-163.50000122.7
734S29.4Very low31.2Very low104 Ų104136.5 Ų136.573%0.72778%0.779SS**  trans61.8153.3146.546.20000120.2
735S31.2Very low31.6Very low95 Ų95132 Ų13266%0.66477%0.773SS**  cis-174.2163-17.449.90000110
736E32.6Very low33Very low169 Ų169132.1 Ų132.179%0.7977%0.771SS**  trans64.4174.6171-41.8-166.5125.600114.2
737A32.3Very low32Very low76 Ų76134.4 Ų134.463%0.62878%0.778SS**  cis-161.6174.8-10.300000106.7
738W30.2Very low32.1Very low221 Ų221131.9 Ų131.984%0.83777%0.771SS**  cis-175.1150.1-25.6-85.1-10.1000105.6
739D26.5Very low32.3Very low155 Ų155131 Ų13183%0.82976%0.762SS**  trans-162.7169.6147.8-129.8-34.8000116.1
740N32.6Very low32Very low147 Ų147135.4 Ų135.479%0.78677%0.765SS**  trans-150.6180-157-122.7-56.5000116.7
741Q31.9Very low32.2Very low186 Ų186133.5 Ų133.587%0.86976%0.756SS**  trans114.4141.8165.4-64.1166.467.900116.8
742G27.1Very low32.4Very low71 Ų71138.1 Ų138.173%0.73275%0.75SS**  cis162.6131.3-16.900000117.8
743L31.1Very low32.3Very low171 Ų171136.3 Ų136.390%0.89575%0.749SS**  trans62.5168150.9-77.5169.3000120.4
744P46.8Very low32.2Very low126 Ų126137.2 Ų137.282%0.81875%0.747SS**  cis-132.4-164.220.743.7-24000118.3
745S34.2Very low32.9Very low106 Ų106138 Ų13874%0.74175%0.75SS**  trans-125.3-178.5-170.4-149.30000111.8
746P55.6Low32.8Very low104 Ų104137.9 Ų137.968%0.67575%0.749SS**  -156.4-168.764.443.5-20.6000118.6
747N27.7Very low32.6Very low147 Ų147138.3 Ų138.379%0.78675%0.753SS**  trans77.8145.5169.4-58.95000117.1
748T31.5Very low32.4Very low107 Ų107139.8 Ų139.866%0.65676%0.759SS**  cis-178.3143.6-15-95.10000106.2
749E31.4Very low33.4Very low125 Ų125135 Ų13558%0.58476%0.756SS**  cis-171.8-175.4-12.5-155.6153.3132.300110.4
750Y28Very low34.3Very low193 Ų193133 Ų13376%0.75775%0.751SS**  trans69.6141.8178.4-46.8-69.5000116.8
751Q33.3Very low34.1Very low167 Ų167134.2 Ų134.278%0.7876%0.757SS**  cis87.9145.86-52.3-177.645.800118.5
752Y30Very low34Very low175 Ų175134.1 Ų134.169%0.68676%0.756SS**  cis-177.3169.6-27.6-162.7-117.5000110.5D754Y752-D754 HydrophobicContact CE1-CB 3.92Å; Y752-D754 VanDerWaalsContact CE1-OD2 3.26Å; Y752-D754 WeakPolarHBondContact CE1-OD2 3.37Å; Y752-D754 PolarHBondContact OH-OD2 3.15Å
753C26.1Very low34.6Very low125 Ų125136 Ų13685%0.84576%0.755SS**  trans-177.6149.5133.2-104.50000115.1
754D26.7Very low34.4Very low111 Ų111132 Ų13259%0.59474%0.742SS**  trans-109.7-164.2-174.7-120.6-48.6000110.4Y752Y752-D754 HydrophobicContact CE1-CB 3.92Å; Y752-D754 VanDerWaalsContact CE1-OD2 3.26Å; Y752-D754 WeakPolarHBondContact CE1-OD2 3.37Å; Y752-D754 PolarHBondContact OH-OD2 3.15Å
755P44Very low33.5Very low122 Ų122135.2 Ų135.279%0.79274%0.743SS**  cis-134.6176.61341.6-21.6000118.2
756S30Very low33.3Very low92 Ų92140.7 Ų140.764%0.64375%0.747SS**  trans-87.4168.1173.962.30000115.1
757M27.9Very low32Very low178 Ų178141.6 Ų141.688%0.87775%0.746SS**  trans179.3175134.3-95-57.9148.300112.7
758S28.2Very low32.1Very low107 Ų107138.2 Ų138.275%0.74874%0.739SS**  trans-109.7159.3-158.6-620000116.9
759P50.6Low32.5Very low120 Ų120139 Ų13978%0.77975%0.746SS**  trans-85-170.9-179.540-41.5000113.1
760P46.4Very low32.6Very low113 Ų113140.5 Ų140.573%0.73476%0.758SS**  cis-150.2-155.121.142.6-17.1000118
761L27.1Very low32.9Very low172 Ų172137.1 Ų137.190%0.90176%0.759SS**  trans111.9146.5162.1-61.6176000120.2
762H30.1Very low33.1Very low185 Ų185134.4 Ų134.486%0.85676%0.757SS**  trans-84174.3174.9-112.7-38.1000111.4
763P39.3Very low33.6Very low109 Ų109132.1 Ų132.171%0.70876%0.763SS**  cis-153.8-170.437.139.2-14.7000119.1
764S27.5Very low33.9Very low88 Ų88134.5 Ų134.562%0.61577%0.765SS**  trans98.7116.1144.6-63.30000123.9
765K28.6Very low34Very low194 Ų194134.4 Ų134.484%0.84377%0.774SS**  50.7138.1126.1-60.9166-175.11680119
766R29.3Very low33.6Very low220 Ų220136 Ų13683%0.8378%0.775SS**  cis-162.3-170.727.4-139.1-176.9160.2146.60.9108.5
767N28.5Very low33.6Very low123 Ų123140.7 Ų140.766%0.65879%0.787SS**  cis-160.5178.88.8-15617.7000114.1
768A30.6Very low33.8Very low76 Ų76136 Ų13663%0.62878%0.776SS**  trans-9.2162.5155.700000123.3
769P39.3Very low34Very low123 Ų123136.7 Ų136.780%0.79978%0.777SS**  cis-131.2172.915.941.3-24.9000118.5
770N33.1Very low33Very low157 Ų157140.9 Ų140.984%0.8478%0.783SS**  trans-98.3165.7176.3-69.1-13.6000112.8
771P34.6Very low32.5Very low122 Ų122139.3 Ų139.379%0.79279%0.787SS**  -142.3-159.2106.239.2-22.5000113
772P37.8Very low32.8Very low111 Ų111141 Ų14172%0.72179%0.787SS**  -113172.4-89.138.3-23.5000114.3
773P40.2Very low33.2Very low127 Ų127143.7 Ų143.783%0.82579%0.79SS**  trans-84155.9-176.334.2-36.5000114.5
774I32.5Very low33.2Very low174 Ų174144.1 Ų144.189%0.89279%0.793SS**  trans-129.1147174.5-65.1-178.3000110.6
775S28Very low33.8Very low109 Ų109149.4 Ų149.476%0.76280%0.804SS**  trans-86.7160.1-166.8-1680000115.4
776N36.4Very low34.3Very low155 Ų155150.7 Ų150.783%0.82981%0.81SS**  trans-82.4125.7170.3-83.7-40.5000111.7
777Q30.6Very low35.1Very low191 Ų191143.9 Ų143.989%0.89381%0.808SS**  trans-157.6129.9154.5-119.6173.156.800115.4
778A30.9Very low35.8Very low79 Ų79145.4 Ų145.465%0.65381%0.813SS**  trans32.2115.4150.100000123.2
779T32.6Very low36.6Very low123 Ų123144.2 Ų144.276%0.75580%0.803SS**  trans53.3115.9131.364.90000121.8
780K29.6Very low37.6Very low207 Ų207142.1 Ų142.190%0.979%0.788SS**  175.6141.8110.8-94.4162.1-175.5172.60111.1
781G35.6Very low38Very low80 Ų80138.5 Ų138.583%0.82578%0.781SS**  trans-84.4161.3-172.900000115.3
782K34.4Very low38.4Very low209 Ų209141.3 Ų141.391%0.90978%0.78SS**  trans-127.8134.1167.4-69.3-177.2178.11750110
783R37.8Very low38.6Very low240 Ų240141.7 Ų141.791%0.90677%0.772SS**PPolyproline II helixtrans-71.6144.4179.6-79.4176.9167.1162.8-5.5111.8
784P39.4Very low39Very low119 Ų119142.7 Ų142.777%0.77376%0.76SS**PPolyproline II helixtrans-63.8157.7169-23.735000114.6K786P784-K786 PolarHBondContact O-N 2.99Å
785K40.3Very low39.6Very low198 Ų198139.6 Ų139.686%0.86174%0.744SS**PPolyproline II helixtrans-46.6126.6169.954.6130.1175.2172.70112.8G787K785-G787 PolarHBondContact O-N 3.32Å
786K38.5Very low40.3Very low221 Ų221136 Ų13696%0.96173%0.725SS**THydrogen-bonded Turntrans-63.2104.4170.3-171-178.8-176.4-176.10109.4P784P784-K786 PolarHBondContact O-N 2.99Å
787G46.7Very low40.7Very low77 Ų77136.1 Ų136.179%0.79472%0.718SS**THydrogen-bonded Turntrans154.6-24.8178.200000116K785K785-G787 PolarHBondContact O-N 3.32Å
788M42.7Very low41.5Very low156 Ų156132.2 Ų132.277%0.76870%0.702SS**PPolyproline II helixtrans-93.4121178.9-60-162.191.700112.1T790M788-T790 PolarHBondContact O-N 3.49Å
789A47.7Very low41.9Very low50 Ų50134.2 Ų134.241%0.41370%0.701SS.*PPolyproline II helixtrans-69.3126.7170.500000110.6Q793 R794A789-Q793 HydrophobicContact CB-CB 4.35Å; A789-R794 HydrophobicContact CB-CG 4.46Å; A789-R794 PolarHBondContact O-NE 3.5Å
790T60.9Low42.3Very low79 Ų79135.8 Ų135.849%0.48570%0.697SS.*PPolyproline II helixtrans-65.2158.7-179.760.20000112.1M788 K792 Q793 R794M788-T790 PolarHBondContact O-N 3.49Å; T790-K792 VanDerWaalsContact C-N 3.26Å; T790-K792 PolarHBondContact O-N 3Å; T790-Q793 WeakPolarHBondContact O-CA 3.46Å; T790-Q793 WeakPolarHBondContact O-CB 3.39Å; T790-Q793 PolarHBondContact O-N 3.49Å; T790-Q793 WeakPolarHBondContact OG1-CG 3.39Å; T790-Q793 PolarHBondContact OG1-OE1 3.48Å; T790-R794 PolarHBondContact O-N 3.12Å
791A40.6Very low42.9Very low82 Ų82132.5 Ų132.568%0.67869%0.689SS**Hα-helixtrans-51.5-43.9178.300000112.5Q793 R794 L795A791-Q793 VanDerWaalsContact C-N 3.29Å; A791-Q793 PolarHBondContact O-N 3.28Å; A791-R794 PolarHBondContact O-N 3.46Å; A791-L795 PolarHBondContact O-N 2.92Å
792K42.2Very low43.2Very low181 Ų181134.9 Ų134.979%0.78768%0.683SS**Hα-helixtrans-59.7-33.9175.7-169.7170.3-176.9172.80113.4T790 G796T790-K792 VanDerWaalsContact C-N 3.26Å; T790-K792 PolarHBondContact O-N 3Å; K792-G796 PolarHBondContact O-N 3.27Å; K792-G796 VanDerWaalsContact O-N 3.1Å
793Q43.9Very low43.3Very low118 Ų118135.1 Ų135.155%0.55168%0.678SS**Hα-helixtrans-78.7-24.6175.9-69.9166-46.700113.2A789 T790 A791A789-Q793 HydrophobicContact CB-CB 4.35Å; T790-Q793 WeakPolarHBondContact O-CA 3.46Å; T790-Q793 WeakPolarHBondContact O-CB 3.39Å; T790-Q793 PolarHBondContact O-N 3.49Å; T790-Q793 WeakPolarHBondContact OG1-CG 3.39Å; T790-Q793 PolarHBondContact OG1-OE1 3.48Å; A791-Q793 VanDerWaalsContact C-N 3.29Å; A791-Q793 PolarHBondContact O-N 3.28Å
794R47.2Very low43.3Very low149 Ų149131.8 Ų131.856%0.56267%0.672SS**Hα-helixtrans-78.3-47.8172.7-64.1-175.7-178.2-148.7-2.7111.1A789 T790 A791 G796 K797 I798A789-R794 HydrophobicContact CB-CG 4.46Å; A789-R794 PolarHBondContact O-NE 3.5Å; T790-R794 PolarHBondContact O-N 3.12Å; A791-R794 PolarHBondContact O-N 3.46Å; R794-G796 VanDerWaalsContact C-N 3.28Å; R794-G796 PolarHBondContact O-N 3.25Å; R794-K797 WeakPolarHBondContact O-CB 3.21Å; R794-K797 PolarHBondContact O-N 3.12Å; R794-I798 PolarHBondContact O-N 3.32Å; R794-I798 VanDerWaalsContact O-N 3.15Å
795L45.2Very low43.1Very low108 Ų108129.9 Ų129.957%0.56566%0.662SS**Hα-helixtrans-56.7-42.9174.3-142.178.6000111.2A791 K797 I798 L799A791-L795 PolarHBondContact O-N 2.92Å; L795-K797 PolarHBondContact O-N 3.34Å; L795-I798 PolarHBondContact O-N 3.45Å; L795-L799 HydrophobicContact CD2-CD1 4.38Å; L795-L799 HydrophobicContact CG-CD1 4.31Å; L795-L799 WeakPolarHBondContact O-CB 3.41Å; L795-L799 WeakPolarHBondContact O-CG 3.34Å; L795-L799 PolarHBondContact O-N 2.9Å
796G42Very low42.6Very low34 Ų34131.7 Ų131.735%0.35166%0.663SS.*Hα-helixtrans-68.6-5.5174.600000116.2K792 R794 K800K792-G796 PolarHBondContact O-N 3.27Å; K792-G796 VanDerWaalsContact O-N 3.1Å; R794-G796 VanDerWaalsContact C-N 3.28Å; R794-G796 PolarHBondContact O-N 3.25Å; G796-K800 WeakPolarHBondContact O-CG 3.3Å
797K46.8Very low42.2Very low157 Ų157126.6 Ų126.668%0.68365%0.65SS**Hα-helixtrans-92.9-43.8164.9-83-166.4169.4-164.20111.6R794 L795 L799 K800 L801R794-K797 WeakPolarHBondContact O-CB 3.21Å; R794-K797 PolarHBondContact O-N 3.12Å; L795-K797 PolarHBondContact O-N 3.34Å; K797-L799 PolarHBondContact O-N 3.39Å; K797-K800 PolarHBondContact O-N 3.13Å; K797-L801 PolarHBondContact O-N 2.94Å
798I45.5Very low41.3Very low109 Ų109132 Ų13256%0.55965%0.652SS**Hα-helixtrans-58.8-48.5177-62.5168.5000109.9R794 L795 K800 L801 N802R794-I798 PolarHBondContact O-N 3.32Å; R794-I798 VanDerWaalsContact O-N 3.15Å; L795-I798 PolarHBondContact O-N 3.45Å; I798-K800 PolarHBondContact O-N 2.85Å; I798-K800 VanDerWaalsContact O-N 3.12Å; I798-L801 PolarHBondContact O-N 3.2Å; I798-N802 PolarHBondContact O-N 3.17Å
799L40.5Very low40.8Very low121 Ų121134.9 Ų134.963%0.63468%0.678SS**Hα-helixtrans-68.8-4.8175.3-64.6171.3000114.7L795 K797L795-L799 HydrophobicContact CD2-CD1 4.38Å; L795-L799 HydrophobicContact CG-CD1 4.31Å; L795-L799 WeakPolarHBondContact O-CB 3.41Å; L795-L799 WeakPolarHBondContact O-CG 3.34Å; L795-L799 PolarHBondContact O-N 2.9Å; K797-L799 PolarHBondContact O-N 3.39Å
800K41.7Very low40.5Very low157 Ų157139.1 Ų139.168%0.68369%0.691SS**Hα-helixtrans-101.2-31171-84.5-169172-163.20113G796 K797 I798G796-K800 WeakPolarHBondContact O-CG 3.3Å; K797-K800 PolarHBondContact O-N 3.13Å; I798-K800 PolarHBondContact O-N 2.85Å; I798-K800 VanDerWaalsContact O-N 3.12Å
801L40.3Very low39.4Very low138 Ų138142.3 Ų142.372%0.72370%0.702SS**Hα-helixtrans-63.3-46.5170.8-76.5160.8000110.1K797 I798 R803 H804K797-L801 PolarHBondContact O-N 2.94Å; I798-L801 PolarHBondContact O-N 3.2Å; L801-R803 PolarHBondContact O-N 2.96Å; L801-H804 PolarHBondContact O-N 3.03Å
802N42.4Very low39.3Very low130 Ų130145.6 Ų145.670%0.69570%0.703SS**THydrogen-bonded Turntrans-76.128.9-179.8-142.78.6000114.4I798 S805I798-N802 PolarHBondContact O-N 3.17Å; N802-S805 PolarHBondContact OD1-OG 3.04Å; N802-S805 VanDerWaalsContact OD1-OG 3.13Å
803R36.6Very low39.2Very low213 Ų213143.5 Ų143.580%0.80470%0.698SS**THydrogen-bonded Turntrans-124.93.4173.6-148.7-178.5-174.3-164.31.1113.2L801L801-R803 PolarHBondContact O-N 2.96Å
804H37.2Very low38.9Very low170 Ų170145.1 Ų145.179%0.78771%0.708SS**SBendtrans-108.5-8.8173.8-75.5-78.4000113.5L801 R806L801-H804 PolarHBondContact O-N 3.03Å; H804-R806 VanDerWaalsContact C-N 3.31Å; H804-R806 PolarHBondContact O-N 2.84Å
805S37.1Very low38.3Very low79 Ų79144.9 Ų144.955%0.55272%0.717SS**  trans-70.879.6164.629.30000110.6N802N802-S805 PolarHBondContact OD1-OG 3.04Å; N802-S805 VanDerWaalsContact OD1-OG 3.13Å
806R29.1Very low37.8Very low237 Ų237147.5 Ų147.589%0.89473%0.728SS**  trans-95.6113.5163.7-86-169.6172.1-169.7-3.4109.7H804H804-R806 VanDerWaalsContact C-N 3.31Å; H804-R806 PolarHBondContact O-N 2.84Å
807V30.3Very low37.5Very low114 Ų114156.2 Ų156.269%0.69176%0.757SS**  trans-128.3150.4163.31790000106
808F28.4Very low36.7Very low191 Ų191156.2 Ų156.284%0.83876%0.764SS**  trans65.9119.7-165.4-44.8-74.6000111.9
809V31.9Very low35.9Very low215 Ų215160.5 Ų160.5100%1.30378%0.782SS**  cis-86027-1750000114.1

Retrieved 809 of 809 residues in 2094 ms (Link to these results)

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