A0A087WU73_HUMAN Loading...

Myocardin related transcription factor A

AlphaFold DB , UniProt , Accession A0A087WU73, Species HUMAN (Homo sapiens, Human), Gene MRTFA, Length 882 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
1M68.8Low75.7Confident241 Ų241116.3 Ų116.3100%1.18765%0.65SS**  01250-77.4-61.1-170.800108.5
2I73.4Confident76.6Confident140 Ų140108.8 Ų108.872%0.71861%0.606SS**  trans-110.2139177-59.1178.8000107.6L5I2-L5 HydrophobicContact CG2-CD2 3.87Å
3P72.6Confident77.6Confident59 Ų59111.5 Ų111.538%0.38361%0.612SS.*  trans-59.5154.4174.525.1-35.8000112.3L5 H12P3-L5 PolarHBondContact O-N 3.3Å; P3-L5 VanDerWaalsContact O-N 3.1Å; P3-H12 VanDerWaalsContact CB-CE1 3.43Å; P3-H12 WeakPolarHBondContact CB-CE1 3.47Å; P3-H12 VanDerWaalsContact CB-ND1 3.32Å; P3-H12 WeakPolarHBondContact CB-ND1 3.17Å
4P77.1Confident78.7Confident77 Ų77111.2 Ų111.250%0.560%0.604SS.*  trans-53.4118-179.4-29.436.7000112.9K6 S7P4-K6 PolarHBondContact O-N 3.14Å; P4-S7 PolarHBondContact O-N 3.48Å; P4-S7 PolarHBondContact O-OG 3.12Å
5L73Confident79.3Confident157 Ų157108.5 Ų108.582%0.82258%0.581SS**THydrogen-bonded Turntrans-60.3-17.3-169.2-58.6175.7000114.6I2 P3 S7I2-L5 HydrophobicContact CG2-CD2 3.87Å; P3-L5 PolarHBondContact O-N 3.3Å; P3-L5 VanDerWaalsContact O-N 3.1Å; L5-S7 VanDerWaalsContact C-N 3.35Å
6K76.5Confident80.1Confident195 Ų195109.9 Ų109.985%0.84858%0.576SS**THydrogen-bonded Turntrans-871.8176.3-59-172.8178.5-173.60113.7P4P4-K6 PolarHBondContact O-N 3.14Å
7S69.4Low81Confident22 Ų22107.2 Ų107.215%0.15457%0.568CS.*SBendtrans-110.4134.4176.960.70000111.5P4 L5 A9 R15P4-S7 PolarHBondContact O-N 3.48Å; P4-S7 PolarHBondContact O-OG 3.12Å; L5-S7 VanDerWaalsContact C-N 3.35Å; S7-A9 PolarHBondContact O-N 3.38Å; S7-R15 VanDerWaalsContact CB-NE 3.34Å; S7-R15 PolarHBondContact OG-NE 3.36Å; S7-R15 PolarHBondContact OG-NH2 3.28Å
8P76.4Confident81.8Confident89 Ų89106 Ų10658%0.57856%0.561SS**  trans-58126.9177.6-23.933.4000111.2A10 F11 H12P8-A10 VanDerWaalsContact C-N 3.26Å; P8-A10 PolarHBondContact O-N 2.95Å; P8-F11 HydrophobicContact CB-CD2 3.99Å; P8-F11 HydrophobicContact CG-CD2 4.39Å; P8-F11 PolarHBondContact O-N 3.06Å; P8-H12 PolarHBondContact O-N 2.7Å
9A76.4Confident82.5Confident88 Ų88104.7 Ų104.773%0.72755%0.552SS**G310 helixtrans-56.7-40.3-173.800000112.7S7 F11 H12S7-A9 PolarHBondContact O-N 3.38Å; A9-F11 PolarHBondContact O-N 3Å; A9-H12 WeakPolarHBondContact O-CB 3.44Å; A9-H12 PolarHBondContact O-N 3.17Å
10A84.1Confident83.3Confident80 Ų80106.4 Ų106.466%0.66155%0.55SS**G310 helixtrans-63.4-19.817800000114.8P8 Q14P8-A10 VanDerWaalsContact C-N 3.26Å; P8-A10 PolarHBondContact O-N 2.95Å; A10-Q14 PolarHBondContact O-OE1 3.35Å
11F84.8Confident83.9Confident131 Ų131103.1 Ų103.158%0.57554%0.539SS*.G310 helixtrans-111.89.7179.9-60-51.4000113.4P8 A9 E13 Q14 R15P8-F11 HydrophobicContact CB-CD2 3.99Å; P8-F11 HydrophobicContact CG-CD2 4.39Å; P8-F11 PolarHBondContact O-N 3.06Å; A9-F11 PolarHBondContact O-N 3Å; F11-E13 VanDerWaalsContact C-N 3.33Å; F11-E13 PolarHBondContact O-N 3.08Å; F11-Q14 VanDerWaalsContact CA-OE1 3.26Å; F11-Q14 PolarHBondContact O-N 3.38Å; F11-R15 VanDerWaalsContact O-CB 3.31Å; F11-R15 WeakPolarHBondContact O-CB 3.26Å; F11-R15 PolarHBondContact O-N 3.48Å
12H87.2Confident85.3Confident27 Ų27100.2 Ų100.213%0.12552%0.515CS..Hα-helixtrans-63.6-37.8-175.8-179.475.1000112.6P3 P8 A9 R15 R16P3-H12 VanDerWaalsContact CB-CE1 3.43Å; P3-H12 WeakPolarHBondContact CB-CE1 3.47Å; P3-H12 VanDerWaalsContact CB-ND1 3.32Å; P3-H12 WeakPolarHBondContact CB-ND1 3.17Å; P8-H12 PolarHBondContact O-N 2.7Å; A9-H12 WeakPolarHBondContact O-CB 3.44Å; A9-H12 PolarHBondContact O-N 3.17Å; H12-R15 PolarHBondContact ND1-NH2 3.32Å; H12-R16 PolarHBondContact CD2-NH2 2.83Å; H12-R16 VanDerWaalsContact CD2-NH2 3.27Å; H12-R16 PolarHBondContact NE2-NE 3.45Å; H12-R16 PolarHBondContact NE2-NH2 3.08Å; H12-R16 WeakPolarHBondContact O-CB 3.45Å; H12-R16 PolarHBondContact O-N 3.29Å
13E88.6Confident86.5Confident144 Ų14497.3 Ų97.367%0.67350%0.504SS*.Hα-helixtrans-72.2-44.6179.2179.4161.3-141.600112.3F11 R15 R16 S17F11-E13 VanDerWaalsContact C-N 3.33Å; F11-E13 PolarHBondContact O-N 3.08Å; E13-R15 VanDerWaalsContact C-N 3.3Å; E13-R15 PolarHBondContact O-N 2.87Å; E13-R16 PolarHBondContact O-N 3Å; E13-S17 WeakPolarHBondContact O-CB 3.29Å; E13-S17 PolarHBondContact O-N 3.23Å
14Q92.9Very high87.7Confident107 Ų10798.3 Ų98.350%0.550%0.503SS..Hα-helixtrans-61.7-41.1176.1-62.780.5-5.300110.4A10 F11 S17 L18A10-Q14 PolarHBondContact O-OE1 3.35Å; F11-Q14 VanDerWaalsContact CA-OE1 3.26Å; F11-Q14 PolarHBondContact O-N 3.38Å; Q14-S17 PolarHBondContact O-N 3.35Å; Q14-L18 VanDerWaalsContact O-CB 3.28Å; Q14-L18 WeakPolarHBondContact O-CB 3.31Å; Q14-L18 PolarHBondContact O-N 3.42Å
15R88.5Confident88.7Confident70 Ų7099 Ų9926%0.26450%0.503SS..Hα-helixtrans-62.4-47.7172.5-176.3176.76684.6-3.3111.8S7 F11 H12 E13 S17 L18 E19S7-R15 VanDerWaalsContact CB-NE 3.34Å; S7-R15 PolarHBondContact OG-NE 3.36Å; S7-R15 PolarHBondContact OG-NH2 3.28Å; F11-R15 VanDerWaalsContact O-CB 3.31Å; F11-R15 WeakPolarHBondContact O-CB 3.26Å; F11-R15 PolarHBondContact O-N 3.48Å; H12-R15 PolarHBondContact ND1-NH2 3.32Å; E13-R15 VanDerWaalsContact C-N 3.3Å; E13-R15 PolarHBondContact O-N 2.87Å; R15-S17 VanDerWaalsContact C-N 3.29Å; R15-S17 PolarHBondContact O-N 2.88Å; R15-L18 PolarHBondContact O-N 3.32Å; R15-E19 WeakPolarHBondContact CD-OE1 3.41Å; R15-E19 HydrophobicContact CG-CG 4.39Å; R15-E19 VanDerWaalsContact CG-OE1 3.24Å; R15-E19 WeakPolarHBondContact CG-OE1 3.28Å; R15-E19 IonicContact CZ-OE1 2.96Å; R15-E19 IonicContact CZ-OE2 2.67Å; R15-E19 IonicContact NE-OE1 2.69Å; R15-E19 VanDerWaalsContact NH1-CD 3.25Å; R15-E19 IonicContact NH1-OE1 3.13Å; R15-E19 PolarHBondContact NH1-OE1 2.77Å; R15-E19 IonicContact NH1-OE2 2.73Å; R15-E19 PolarHBondContact NH1-OE2 2.95Å; R15-E19 WeakPolarHBondContact O-CB 3.23Å; R15-E19 VanDerWaalsContact O-CG 3.29Å; R15-E19 WeakPolarHBondContact O-CG 3.32Å; R15-E19 PolarHBondContact O-N 3.05Å
16R91.7Very high89.9Confident132 Ų13297 Ų9750%0.49849%0.485SS..Hα-helixtrans-60.7-38.3176.8-170.3-165.6-61.7174.7-3.1111.9H12 E13 R20H12-R16 PolarHBondContact CD2-NH2 2.83Å; H12-R16 VanDerWaalsContact CD2-NH2 3.27Å; H12-R16 PolarHBondContact NE2-NE 3.45Å; H12-R16 PolarHBondContact NE2-NH2 3.08Å; H12-R16 WeakPolarHBondContact O-CB 3.45Å; H12-R16 PolarHBondContact O-N 3.29Å; E13-R16 PolarHBondContact O-N 3Å; R16-R20 WeakPolarHBondContact O-CB 3.41Å; R16-R20 PolarHBondContact O-N 2.77Å
17S95.7Very high91Very high64 Ų6491.9 Ų91.945%0.44847%0.467SS..Hα-helixtrans-67.2-44.4176.5-166.70000111.6E13 Q14 R15 R20 A21E13-S17 WeakPolarHBondContact O-CB 3.29Å; E13-S17 PolarHBondContact O-N 3.23Å; Q14-S17 PolarHBondContact O-N 3.35Å; R15-S17 VanDerWaalsContact C-N 3.29Å; R15-S17 PolarHBondContact O-N 2.88Å; S17-R20 WeakPolarHBondContact O-CB 3.23Å; S17-R20 PolarHBondContact O-N 3.11Å; S17-A21 WeakPolarHBondContact O-CB 3.44Å; S17-A21 PolarHBondContact O-N 3.26Å
18L95.7Very high92.4Very high85 Ų8595 Ų9545%0.44548%0.478SS..Hα-helixtrans-66.8-36.8175.3176.1149.7000112.6Q14 R15 R22Q14-L18 VanDerWaalsContact O-CB 3.28Å; Q14-L18 WeakPolarHBondContact O-CB 3.31Å; Q14-L18 PolarHBondContact O-N 3.42Å; R15-L18 PolarHBondContact O-N 3.32Å; L18-R22 WeakPolarHBondContact O-CB 3.45Å; L18-R22 VanDerWaalsContact O-CG 3.28Å; L18-R22 WeakPolarHBondContact O-CG 3.11Å; L18-R22 PolarHBondContact O-N 3.04Å
19E95.1Very high93.4Very high81 Ų8198.7 Ų98.738%0.37948%0.48SS..Hα-helixtrans-65.2-40.9172-76.2165.9-178.100111.3R15 T23R15-E19 WeakPolarHBondContact CD-OE1 3.41Å; R15-E19 HydrophobicContact CG-CG 4.39Å; R15-E19 VanDerWaalsContact CG-OE1 3.24Å; R15-E19 WeakPolarHBondContact CG-OE1 3.28Å; R15-E19 IonicContact CZ-OE1 2.96Å; R15-E19 IonicContact CZ-OE2 2.67Å; R15-E19 IonicContact NE-OE1 2.69Å; R15-E19 VanDerWaalsContact NH1-CD 3.25Å; R15-E19 IonicContact NH1-OE1 3.13Å; R15-E19 PolarHBondContact NH1-OE1 2.77Å; R15-E19 IonicContact NH1-OE2 2.73Å; R15-E19 PolarHBondContact NH1-OE2 2.95Å; R15-E19 WeakPolarHBondContact O-CB 3.23Å; R15-E19 VanDerWaalsContact O-CG 3.29Å; R15-E19 WeakPolarHBondContact O-CG 3.32Å; R15-E19 PolarHBondContact O-N 3.05Å; E19-T23 WeakPolarHBondContact O-CB 3.49Å; E19-T23 PolarHBondContact O-N 3.09Å; E19-T23 VanDerWaalsContact O-N 3.15Å; E19-T23 PolarHBondContact O-OG1 2.91Å
20R97.5Very high94.4Very high138 Ų13899.5 Ų99.552%0.52147%0.467SS..Hα-helixtrans-63.1-52.6171.4-172.6-171.2-72.7111.6-8.6111.3R16 S17 R22 T23 E24R16-R20 WeakPolarHBondContact O-CB 3.41Å; R16-R20 PolarHBondContact O-N 2.77Å; S17-R20 WeakPolarHBondContact O-CB 3.23Å; S17-R20 PolarHBondContact O-N 3.11Å; R20-R22 PolarHBondContact O-N 3.19Å; R20-T23 CarbonylContact O-C 3.52Å; R20-T23 WeakPolarHBondContact O-CA 3.18Å; R20-T23 WeakPolarHBondContact O-CB 3.3Å; R20-T23 PolarHBondContact O-N 3.5Å; R20-E24 WeakPolarHBondContact CD-OE1 3.36Å; R20-E24 HydrophobicContact CG-CG 4.26Å; R20-E24 WeakPolarHBondContact CG-OE1 3.15Å; R20-E24 WeakPolarHBondContact O-CG 3.42Å; R20-E24 PolarHBondContact O-N 2.67Å
21A97.3Very high95.1Very high38 Ų38101.4 Ų101.431%0.31447%0.465SS..Hα-helixtrans-58.5-43.7-178.500000112.4S17 T23 E24 D25S17-A21 WeakPolarHBondContact O-CB 3.44Å; S17-A21 PolarHBondContact O-N 3.26Å; A21-T23 VanDerWaalsContact C-N 3.27Å; A21-T23 PolarHBondContact O-N 2.96Å; A21-E24 PolarHBondContact O-N 3.23Å; A21-D25 PolarHBondContact O-N 2.97Å
22R97.8Very high95.7Very high180 Ų180105.7 Ų105.768%0.67948%0.477SS*.Hα-helixtrans-57.9-39.7172-77.4176173-177.8-1.5112.5L18 R20 Y26L18-R22 WeakPolarHBondContact O-CB 3.45Å; L18-R22 VanDerWaalsContact O-CG 3.28Å; L18-R22 WeakPolarHBondContact O-CG 3.11Å; L18-R22 PolarHBondContact O-N 3.04Å; R20-R22 PolarHBondContact O-N 3.19Å; R22-Y26 VanDerWaalsContact O-CB 3.28Å; R22-Y26 WeakPolarHBondContact O-CB 3.39Å; R22-Y26 PolarHBondContact O-N 3.16Å; R22-Y26 VanDerWaalsContact O-N 3.07Å
23T97.9Very high96.2Very high79 Ų79107.9 Ų107.949%0.48550%0.496SS..Hα-helixtrans-70.3-44.1177.8-54.70000111E19 R20 A21 Y26 L27E19-T23 WeakPolarHBondContact O-CB 3.49Å; E19-T23 PolarHBondContact O-N 3.09Å; E19-T23 VanDerWaalsContact O-N 3.15Å; E19-T23 PolarHBondContact O-OG1 2.91Å; R20-T23 CarbonylContact O-C 3.52Å; R20-T23 WeakPolarHBondContact O-CA 3.18Å; R20-T23 WeakPolarHBondContact O-CB 3.3Å; R20-T23 PolarHBondContact O-N 3.5Å; A21-T23 VanDerWaalsContact C-N 3.27Å; A21-T23 PolarHBondContact O-N 2.96Å; T23-Y26 PolarHBondContact O-N 2.78Å; T23-L27 HydrophobicContact CG2-CD1 4.04Å; T23-L27 HydrophobicContact CG2-CG 4.49Å; T23-L27 WeakPolarHBondContact O-CB 3.36Å; T23-L27 VanDerWaalsContact O-CG 3.26Å; T23-L27 WeakPolarHBondContact O-CG 3.34Å; T23-L27 PolarHBondContact O-N 3.08Å
24E98.2Very high96.6Very high81 Ų81110.6 Ų110.638%0.37950%0.5SS..Hα-helixtrans-59.1-47.1174.8-73.1177.5-149.300112.1R20 A21 L27 K28R20-E24 WeakPolarHBondContact CD-OE1 3.36Å; R20-E24 HydrophobicContact CG-CG 4.26Å; R20-E24 WeakPolarHBondContact CG-OE1 3.15Å; R20-E24 WeakPolarHBondContact O-CG 3.42Å; R20-E24 PolarHBondContact O-N 2.67Å; A21-E24 PolarHBondContact O-N 3.23Å; E24-L27 CarbonylContact O-C 3.58Å; E24-L27 PolarHBondContact O-N 3.29Å; E24-K28 WeakPolarHBondContact O-CB 3.46Å; E24-K28 WeakPolarHBondContact O-CG 3.43Å; E24-K28 PolarHBondContact O-N 2.96Å; E24-K28 IonicContact OE2-NZ 2.83Å; E24-K28 PolarHBondContact OE2-NZ 3.44Å
25D98.3Very high96.8Very high91 Ų91108.2 Ų108.249%0.48749%0.493SS..Hα-helixtrans-72.4-31.5-177.7-66.2-18.5000112.2A21 K28 R29A21-D25 PolarHBondContact O-N 2.97Å; D25-K28 WeakPolarHBondContact OD1-CD 3.37Å; D25-K28 IonicContact OD1-NZ 2.78Å; D25-K28 PolarHBondContact OD1-NZ 3.41Å; D25-R29 WeakPolarHBondContact O-CB 3.46Å; D25-R29 PolarHBondContact O-N 3.25Å; D25-R29 VanDerWaalsContact O-N 3.14Å
26Y98.4Very high97.3Very high114 Ų114110.3 Ų110.345%0.44751%0.506SS..Hα-helixtrans-61.7-45.7166175.3-100.1000111.9R22 T23 R29 K30R22-Y26 VanDerWaalsContact O-CB 3.28Å; R22-Y26 WeakPolarHBondContact O-CB 3.39Å; R22-Y26 PolarHBondContact O-N 3.16Å; R22-Y26 VanDerWaalsContact O-N 3.07Å; T23-Y26 PolarHBondContact O-N 2.78Å; Y26-R29 PolarHBondContact O-N 2.83Å; Y26-K30 HydrophobicContact CD1-CG 4.46Å; Y26-K30 HydrophobicContact CD2-CG 4.49Å; Y26-K30 HydrophobicContact CE1-CG 4.01Å; Y26-K30 HydrophobicContact CE2-CG 4.03Å; Y26-K30 WeakPolarHBondContact O-CB 3.45Å; Y26-K30 WeakPolarHBondContact O-CG 3.43Å; Y26-K30 PolarHBondContact O-N 3.15Å; Y26-K30 WeakPolarHBondContact OH-CE 3.28Å
27L98.6Very high97.5Very high88 Ų88109.6 Ų109.646%0.46150%0.504SS..Hα-helixtrans-68.5-45.1178.5-71.6172.1000112.4T23 E24 R29 K30 I31T23-L27 HydrophobicContact CG2-CD1 4.04Å; T23-L27 HydrophobicContact CG2-CG 4.49Å; T23-L27 WeakPolarHBondContact O-CB 3.36Å; T23-L27 VanDerWaalsContact O-CG 3.26Å; T23-L27 WeakPolarHBondContact O-CG 3.34Å; T23-L27 PolarHBondContact O-N 3.08Å; E24-L27 CarbonylContact O-C 3.58Å; E24-L27 PolarHBondContact O-N 3.29Å; L27-R29 PolarHBondContact O-N 3.42Å; L27-K30 CarbonylContact O-C 3.59Å; L27-K30 PolarHBondContact O-N 2.84Å; L27-I31 WeakPolarHBondContact O-CB 3.27Å; L27-I31 VanDerWaalsContact O-CG1 3.26Å; L27-I31 WeakPolarHBondContact O-CG1 3.22Å; L27-I31 PolarHBondContact O-N 3.21Å
28K98.4Very high97.5Very high89 Ų89109.9 Ų109.939%0.38751%0.506SS..Hα-helixtrans-52.4-44.2173.6-71.4162.8-159.3155.50110.6E24 D25 R32E24-K28 WeakPolarHBondContact O-CB 3.46Å; E24-K28 WeakPolarHBondContact O-CG 3.43Å; E24-K28 PolarHBondContact O-N 2.96Å; E24-K28 IonicContact OE2-NZ 2.83Å; E24-K28 PolarHBondContact OE2-NZ 3.44Å; D25-K28 WeakPolarHBondContact OD1-CD 3.37Å; D25-K28 IonicContact OD1-NZ 2.78Å; D25-K28 PolarHBondContact OD1-NZ 3.41Å; K28-R32 VanDerWaalsContact O-CG 3.31Å; K28-R32 WeakPolarHBondContact O-CG 3.48Å; K28-R32 PolarHBondContact O-N 3.03Å
29R98.2Very high97.5Very high166 Ų166109.3 Ų109.363%0.62650%0.501SS*.Hα-helixtrans-65.9-48.3173.9174167.748.9158.3-6.5112.5D25 Y26 L27 I31 R32 S33D25-R29 WeakPolarHBondContact O-CB 3.46Å; D25-R29 PolarHBondContact O-N 3.25Å; D25-R29 VanDerWaalsContact O-N 3.14Å; Y26-R29 PolarHBondContact O-N 2.83Å; L27-R29 PolarHBondContact O-N 3.42Å; R29-I31 VanDerWaalsContact C-N 3.34Å; R29-I31 PolarHBondContact O-N 2.91Å; R29-R32 PolarHBondContact O-N 2.93Å; R29-S33 PolarHBondContact O-N 3.39Å; R29-S33 PolarHBondContact O-OG 2.85Å
30K98.4Very high97.6Very high105 Ų105107.5 Ų107.546%0.45749%0.494SS..Hα-helixtrans-67.3-28.8-178.9-79.4-70.6-177.3-178.70114.4Y26 L27 S33 R34Y26-K30 HydrophobicContact CD1-CG 4.46Å; Y26-K30 HydrophobicContact CD2-CG 4.49Å; Y26-K30 HydrophobicContact CE1-CG 4.01Å; Y26-K30 HydrophobicContact CE2-CG 4.03Å; Y26-K30 WeakPolarHBondContact O-CB 3.45Å; Y26-K30 WeakPolarHBondContact O-CG 3.43Å; Y26-K30 PolarHBondContact O-N 3.15Å; Y26-K30 WeakPolarHBondContact OH-CE 3.28Å; L27-K30 CarbonylContact O-C 3.59Å; L27-K30 PolarHBondContact O-N 2.84Å; K30-S33 CarbonylContact O-C 3.59Å; K30-R34 PolarHBondContact O-N 3.39Å
31I97.9Very high97.6Very high120 Ų120102 Ų10262%0.61548%0.475SS*.Hα-helixtrans-72.2-42.8174.3-69.2164.1000110.3L27 R29 S33 R34L27-I31 WeakPolarHBondContact O-CB 3.27Å; L27-I31 VanDerWaalsContact O-CG1 3.26Å; L27-I31 WeakPolarHBondContact O-CG1 3.22Å; L27-I31 PolarHBondContact O-N 3.21Å; R29-I31 VanDerWaalsContact C-N 3.34Å; R29-I31 PolarHBondContact O-N 2.91Å; I31-S33 VanDerWaalsContact C-N 3.31Å; I31-S33 PolarHBondContact O-N 3.19Å; I31-R34 VanDerWaalsContact O-CB 3.28Å; I31-R34 WeakPolarHBondContact O-CB 3.32Å; I31-R34 PolarHBondContact O-N 3.07Å
32R97.4Very high97.6Very high220 Ų220108 Ų10883%0.8349%0.49SS*.Hα-helixtrans-63.5-35.1173.6-70.1171.3-175.4174.21.7112.6K28 R29K28-R32 VanDerWaalsContact O-CG 3.31Å; K28-R32 WeakPolarHBondContact O-CG 3.48Å; K28-R32 PolarHBondContact O-N 3.03Å; R29-R32 PolarHBondContact O-N 2.93Å
33S97.1Very high97.5Very high74 Ų74104.6 Ų104.652%0.51748%0.483SS..THydrogen-bonded Turntrans-98.434.8177.6800000113R29 K30 I31 P35R29-S33 PolarHBondContact O-N 3.39Å; R29-S33 PolarHBondContact O-OG 2.85Å; K30-S33 CarbonylContact O-C 3.59Å; I31-S33 VanDerWaalsContact C-N 3.31Å; I31-S33 PolarHBondContact O-N 3.19Å; S33-P35 WeakPolarHBondContact O-CD 3.34Å
34R98.1Very high97.4Very high200 Ų200109 Ų10976%0.75550%0.497SS*.PPolyproline II helixtrans-89.5120.1-177.8-176.3175.4-178.2-114.11.7110.3K30 I31K30-R34 PolarHBondContact O-N 3.39Å; I31-R34 VanDerWaalsContact O-CB 3.28Å; I31-R34 WeakPolarHBondContact O-CB 3.32Å; I31-R34 PolarHBondContact O-N 3.07Å
35P97.5Very high97.3Very high57 Ų57110 Ų11037%0.3751%0.505SS..PPolyproline II helixtrans-58148.7174.2-27.337000113.3S33 E39 L40S33-P35 WeakPolarHBondContact O-CD 3.34Å; P35-E39 HydrophobicContact CB-CG 4.31Å; P35-L40 HydrophobicContact CB-CD2 3.93Å; P35-L40 HydrophobicContact CB-CG 4.05Å; P35-L40 HydrophobicContact CG-CD2 4.4Å
36E97.6Very high97.1Very high114 Ų114109 Ų10953%0.53350%0.499SS..PPolyproline II helixtrans-79.2157.7172.2-152.2-72109.500110.2S38 E39 L40E36-S38 VanDerWaalsContact C-N 3.33Å; E36-S38 PolarHBondContact O-N 2.9Å; E36-S38 WeakPolarHBondContact OE2-CB 3.24Å; E36-S38 PolarHBondContact OE2-N 3.07Å; E36-S38 PolarHBondContact OE2-OG 3Å; E36-E39 PolarHBondContact O-N 3.16Å; E36-L40 PolarHBondContact O-N 2.65Å; E36-L40 VanDerWaalsContact O-N 3.08Å
37R95.4Very high96.8Very high117 Ų117106.4 Ų106.444%0.44249%0.491SS..Hα-helixtrans-57.7-41.7178.1-177.2-174.1163.1-76.5-0.8112.2E39 L40 V41 L46 T49R37-E39 VanDerWaalsContact C-N 3.3Å; R37-E39 PolarHBondContact O-N 3.04Å; R37-L40 PolarHBondContact O-N 2.88Å; R37-V41 HydrophobicContact CG-CG2 4.42Å; R37-V41 WeakPolarHBondContact O-CG2 3.5Å; R37-V41 PolarHBondContact O-N 3.31Å; R37-L46 HydrophobicContact CG-CD1 4.03Å; R37-T49 PolarHBondContact NH2-O 3.28Å
38S96.1Very high96.4Very high71 Ų71109.4 Ų109.450%0.49750%0.502SS..Hα-helixtrans-62.6-36.1177.762.10000112.3E36 V41 R42E36-S38 VanDerWaalsContact C-N 3.33Å; E36-S38 PolarHBondContact O-N 2.9Å; E36-S38 WeakPolarHBondContact OE2-CB 3.24Å; E36-S38 PolarHBondContact OE2-N 3.07Å; E36-S38 PolarHBondContact OE2-OG 3Å; S38-V41 PolarHBondContact O-N 3.11Å; S38-R42 VanDerWaalsContact O-CB 3.27Å; S38-R42 WeakPolarHBondContact O-CB 3.21Å; S38-R42 PolarHBondContact O-N 3.22Å
39E97.1Very high95.8Very high72 Ų72106 Ų10634%0.33649%0.489SS..Hα-helixtrans-66-44.3172.8172.4157-111.700111.8P35 E36 R37 V41 R42 M43P35-E39 HydrophobicContact CB-CG 4.31Å; E36-E39 PolarHBondContact O-N 3.16Å; R37-E39 VanDerWaalsContact C-N 3.3Å; R37-E39 PolarHBondContact O-N 3.04Å; E39-V41 VanDerWaalsContact C-N 3.27Å; E39-V41 PolarHBondContact O-N 3.37Å; E39-R42 WeakPolarHBondContact O-CB 2.95Å; E39-R42 PolarHBondContact O-N 3.18Å; E39-R42 IonicContact OE1-CZ 2.74Å; E39-R42 IonicContact OE1-NH2 3.03Å; E39-R42 PolarHBondContact OE1-NH2 3.05Å; E39-M43 HydrophobicContact CG-SD 4.21Å; E39-M43 WeakPolarHBondContact O-CB 3.12Å; E39-M43 WeakPolarHBondContact O-CG 3.01Å; E39-M43 PolarHBondContact O-N 3.27Å
40L97.3Very high95.1Very high44 Ų44104.2 Ų104.223%0.2350%0.502CS..Hα-helixtrans-64.4-31.7175.5-63.9175.5000112.5P35 E36 R37 H44 I45 L46P35-L40 HydrophobicContact CB-CD2 3.93Å; P35-L40 HydrophobicContact CB-CG 4.05Å; P35-L40 HydrophobicContact CG-CD2 4.4Å; E36-L40 PolarHBondContact O-N 2.65Å; E36-L40 VanDerWaalsContact O-N 3.08Å; R37-L40 PolarHBondContact O-N 2.88Å; L40-H44 PolarHBondContact O-N 3.45Å; L40-I45 HydrophobicContact CB-CB 4.38Å; L40-I45 HydrophobicContact CD2-CB 4.34Å; L40-I45 HydrophobicContact CD2-CD1 3.9Å; L40-I45 HydrophobicContact CD2-CG2 4.26Å; L40-I45 WeakPolarHBondContact O-CA 3.08Å; L40-I45 WeakPolarHBondContact O-CB 3.36Å; L40-I45 PolarHBondContact O-N 3.43Å; L40-L46 HydrophobicContact CB-CB 4.34Å; L40-L46 HydrophobicContact CB-CD1 3.8Å; L40-L46 HydrophobicContact CB-CG 3.91Å; L40-L46 HydrophobicContact CD1-CD1 3.88Å; L40-L46 HydrophobicContact CD1-CG 4.43Å; L40-L46 PolarHBondContact O-N 3.41Å; L40-L46 VanDerWaalsContact O-N 3.09Å
41V95.9Very high94.5Very high22 Ų22100.7 Ų100.713%0.13349%0.492CS..Hα-helixtrans-71.5-45.5172.5170.50000111.3R37 S38 E39 M43 H44 L46 E48R37-V41 HydrophobicContact CG-CG2 4.42Å; R37-V41 WeakPolarHBondContact O-CG2 3.5Å; R37-V41 PolarHBondContact O-N 3.31Å; S38-V41 PolarHBondContact O-N 3.11Å; E39-V41 VanDerWaalsContact C-N 3.27Å; E39-V41 PolarHBondContact O-N 3.37Å; V41-M43 PolarHBondContact O-N 2.83Å; V41-H44 WeakPolarHBondContact O-CA 3.33Å; V41-H44 PolarHBondContact O-N 3.17Å; V41-L46 WeakPolarHBondContact CA-O 3.48Å; V41-L46 HydrophobicContact CG2-CB 3.87Å; V41-E48 HydrophobicContact CG1-CB 3.65Å; V41-E48 HydrophobicContact CG1-CG 4.02Å
42R97.1Very high94.2Very high165 Ų165100.7 Ų100.762%0.62349%0.49SS*.Hα-helixtrans-56.8-36.2173.7-179.6-178.16984.8-3.5112.2S38 E39 H44S38-R42 VanDerWaalsContact O-CB 3.27Å; S38-R42 WeakPolarHBondContact O-CB 3.21Å; S38-R42 PolarHBondContact O-N 3.22Å; E39-R42 WeakPolarHBondContact O-CB 2.95Å; E39-R42 PolarHBondContact O-N 3.18Å; E39-R42 IonicContact OE1-CZ 2.74Å; E39-R42 IonicContact OE1-NH2 3.03Å; E39-R42 PolarHBondContact OE1-NH2 3.05Å; R42-H44 VanDerWaalsContact C-N 3.28Å; R42-H44 PolarHBondContact O-N 3.22Å; R42-H44 PolarHBondContact O-ND1 2.98Å
43M97Very high93.9Very high107 Ų10795.3 Ų95.353%0.52748%0.483SS..THydrogen-bonded Turntrans-82.42.6174.3-67.2-174.97300114.2E39 V41 I45E39-M43 HydrophobicContact CG-SD 4.21Å; E39-M43 WeakPolarHBondContact O-CB 3.12Å; E39-M43 WeakPolarHBondContact O-CG 3.01Å; E39-M43 PolarHBondContact O-N 3.27Å; V41-M43 PolarHBondContact O-N 2.83Å; M43-I45 HydrophobicContact CB-CD1 3.81Å; M43-I45 HydrophobicContact CB-CG1 3.96Å; M43-I45 HydrophobicContact CE-CD1 4.16Å; M43-I45 PolarHBondContact O-N 3.17Å; M43-I45 HydrophobicContact SD-CD1 4.24Å
44H94.9Very high93.7Very high171 Ų17195 Ų9579%0.79248%0.481SS*.THydrogen-bonded Turntrans5725-176.9-57.975.4000114.4L40 V41 R42L40-H44 PolarHBondContact O-N 3.45Å; V41-H44 WeakPolarHBondContact O-CA 3.33Å; V41-H44 PolarHBondContact O-N 3.17Å; R42-H44 VanDerWaalsContact C-N 3.28Å; R42-H44 PolarHBondContact O-N 3.22Å; R42-H44 PolarHBondContact O-ND1 2.98Å
45I95.8Very high93.5Very high104 Ų10489.2 Ų89.253%0.53347%0.465SS..SBendtrans-83-31.8173.6-60.8170.2000110.3L40 M43L40-I45 HydrophobicContact CB-CB 4.38Å; L40-I45 HydrophobicContact CD2-CB 4.34Å; L40-I45 HydrophobicContact CD2-CD1 3.9Å; L40-I45 HydrophobicContact CD2-CG2 4.26Å; L40-I45 WeakPolarHBondContact O-CA 3.08Å; L40-I45 WeakPolarHBondContact O-CB 3.36Å; L40-I45 PolarHBondContact O-N 3.43Å; M43-I45 HydrophobicContact CB-CD1 3.81Å; M43-I45 HydrophobicContact CB-CG1 3.96Å; M43-I45 HydrophobicContact CE-CD1 4.16Å; M43-I45 PolarHBondContact O-N 3.17Å; M43-I45 HydrophobicContact SD-CD1 4.24Å
46L94.4Very high93.3Very high69 Ų6988.7 Ų88.736%0.36146%0.457SS..SBendtrans-118.8148.2170.1-66.4179000110R37 L40 V41R37-L46 HydrophobicContact CG-CD1 4.03Å; L40-L46 HydrophobicContact CB-CB 4.34Å; L40-L46 HydrophobicContact CB-CD1 3.8Å; L40-L46 HydrophobicContact CB-CG 3.91Å; L40-L46 HydrophobicContact CD1-CD1 3.88Å; L40-L46 HydrophobicContact CD1-CG 4.43Å; L40-L46 PolarHBondContact O-N 3.41Å; L40-L46 VanDerWaalsContact O-N 3.09Å; V41-L46 WeakPolarHBondContact CA-O 3.48Å; V41-L46 HydrophobicContact CG2-CB 3.87Å
47E92.6Very high93.1Very high60 Ų6086.9 Ų86.928%0.2846%0.462SS..  trans-73.4140.7175.1-73.8-70.6159.800111.3T49 L60E47-T49 VanDerWaalsContact C-N 3.26Å; E47-T49 PolarHBondContact O-N 2.98Å; E47-L60 HydrophobicContact CG-CD1 4.44Å; E47-L60 HydrophobicContact CG-CD2 4.04Å; E47-L60 VanDerWaalsContact OE1-CD1 3.23Å; E47-L60 WeakPolarHBondContact OE1-CD1 3.46Å; E47-L60 WeakPolarHBondContact OE1-CD2 3.19Å
48E90.7Very high93.1Very high150 Ų15088.6 Ų88.670%0.70147%0.472SS*.SBendtrans-71.482.8171.9-169.8-175.1-159.700109.7V41V41-E48 HydrophobicContact CG1-CB 3.65Å; V41-E48 HydrophobicContact CG1-CG 4.02Å
49T85.6Confident93.1Very high19 Ų1989.2 Ų89.212%0.11747%0.467CS..  trans-154.2131-174.1-73.30000110.9R37 E47 A51 Q56R37-T49 PolarHBondContact NH2-O 3.28Å; E47-T49 VanDerWaalsContact C-N 3.26Å; E47-T49 PolarHBondContact O-N 2.98Å; T49-A51 HydrophobicContact CG2-CB 3.57Å; T49-Q56 HydrophobicContact CG2-CG 3.99Å
50S84.1Confident92.9Very high128 Ų12887.6 Ų87.690%0.89546%0.461SS*.  trans-88.10.1176.6-1680000113.7
51A85.9Confident92.9Very high30 Ų3093.4 Ų93.425%0.24848%0.484CS..SBendtrans-74.2155.6177.400000112.3T49 L55 Q56 Q59T49-A51 HydrophobicContact CG2-CB 3.57Å; A51-L55 HydrophobicContact CB-CB 4.48Å; A51-Q56 PolarHBondContact O-NE2 3.1Å; A51-Q59 VanDerWaalsContact CB-OE1 3.24Å
52E89.9Confident92.9Very high121 Ų12196.5 Ų96.557%0.56550%0.5SS*.  trans-50139.2176.2-167.1-161.7128.800112S54 L55 Q56E52-S54 PolarHBondContact O-N 2.84Å; E52-S54 VanDerWaalsContact OE1-CB 3.24Å; E52-S54 WeakPolarHBondContact OE1-CB 3.29Å; E52-S54 PolarHBondContact OE1-OG 3.42Å; E52-L55 HydrophobicContact CB-CD1 4.42Å; E52-L55 HydrophobicContact CB-CG 4.38Å; E52-L55 PolarHBondContact O-N 3.23Å; E52-Q56 PolarHBondContact O-N 2.91Å
53P91.6Very high92.9Very high106 Ų10694.2 Ų94.269%0.68849%0.494SS*.Hα-helixtrans-50.5-32.9-179.4-31.636.8000115.6L55P53-L55 PolarHBondContact O-N 3.15Å
54S93.4Very high92.9Very high68 Ų6896.8 Ų96.848%0.47650%0.498SS..Hα-helixtrans-66.2-22.5177.373.70000114E52E52-S54 PolarHBondContact O-N 2.84Å; E52-S54 VanDerWaalsContact OE1-CB 3.24Å; E52-S54 WeakPolarHBondContact OE1-CB 3.29Å; E52-S54 PolarHBondContact OE1-OG 3.42Å
55L94.3Very high93.1Very high78 Ų7890.6 Ų90.641%0.40848%0.477SS..Hα-helixtrans-97.8-25.3-176.9-59.2-177000112.9A51 E52 P53 A57 K58 Q59A51-L55 HydrophobicContact CB-CB 4.48Å; E52-L55 HydrophobicContact CB-CD1 4.42Å; E52-L55 HydrophobicContact CB-CG 4.38Å; E52-L55 PolarHBondContact O-N 3.23Å; P53-L55 PolarHBondContact O-N 3.15Å; L55-A57 VanDerWaalsContact C-N 3.32Å; L55-A57 PolarHBondContact O-N 3.41Å; L55-K58 WeakPolarHBondContact O-CA 3.4Å; L55-K58 WeakPolarHBondContact O-CB 3.37Å; L55-K58 PolarHBondContact O-N 2.86Å; L55-Q59 PolarHBondContact O-N 3.31Å
56Q93.3Very high93.2Very high46 Ų4693.7 Ų93.722%0.21548%0.482CS..Hα-helixtrans-53.1-44.7-173.4-69.9174.41200112.9T49 A51 E52 K58 Q59 L60T49-Q56 HydrophobicContact CG2-CG 3.99Å; A51-Q56 PolarHBondContact O-NE2 3.1Å; E52-Q56 PolarHBondContact O-N 2.91Å; Q56-K58 VanDerWaalsContact C-N 3.34Å; Q56-K58 PolarHBondContact O-N 3.44Å; Q56-Q59 PolarHBondContact O-N 3.35Å; Q56-L60 WeakPolarHBondContact O-CB 3.15Å; Q56-L60 PolarHBondContact O-N 2.93Å
57A93.1Very high93.4Very high76 Ų7695 Ų9563%0.62849%0.488SS*.Hα-helixtrans-63.5-35.8177.200000113.5L55 K61L55-A57 VanDerWaalsContact C-N 3.32Å; L55-A57 PolarHBondContact O-N 3.41Å; A57-K61 PolarHBondContact O-N 2.69Å
58K95.6Very high93.6Very high153 Ų15394.8 Ų94.867%0.66550%0.497SS*.Hα-helixtrans-73.2-42.3175.6-66.2175.5-179.3169.90111L55 Q56 K61 L62L55-K58 WeakPolarHBondContact O-CA 3.4Å; L55-K58 WeakPolarHBondContact O-CB 3.37Å; L55-K58 PolarHBondContact O-N 2.86Å; Q56-K58 VanDerWaalsContact C-N 3.34Å; Q56-K58 PolarHBondContact O-N 3.44Å; K58-K61 PolarHBondContact O-N 3.14Å; K58-L62 WeakPolarHBondContact O-CB 3.32Å; K58-L62 PolarHBondContact O-N 3.3Å
59Q94.9Very high94Very high84 Ų8492.7 Ų92.739%0.39349%0.491SS..Hα-helixtrans-63.7-42.2177.2179.7167.9-10.300111.6A51 L55 Q56 L62 K63A51-Q59 VanDerWaalsContact CB-OE1 3.24Å; L55-Q59 PolarHBondContact O-N 3.31Å; Q56-Q59 PolarHBondContact O-N 3.35Å; Q59-L62 PolarHBondContact O-N 3.31Å; Q59-K63 WeakPolarHBondContact O-CB 3.37Å; Q59-K63 PolarHBondContact O-N 3.01Å
60L94.5Very high94.6Very high38 Ų3894.7 Ų94.720%0.19950%0.501CS..Hα-helixtrans-61.3-45173.8178.858.5000111.8E47 Q56 L62 K63 R64E47-L60 HydrophobicContact CG-CD1 4.44Å; E47-L60 HydrophobicContact CG-CD2 4.04Å; E47-L60 VanDerWaalsContact OE1-CD1 3.23Å; E47-L60 WeakPolarHBondContact OE1-CD1 3.46Å; E47-L60 WeakPolarHBondContact OE1-CD2 3.19Å; Q56-L60 WeakPolarHBondContact O-CB 3.15Å; Q56-L60 PolarHBondContact O-N 2.93Å; L60-L62 VanDerWaalsContact C-N 3.32Å; L60-L62 PolarHBondContact O-N 2.71Å; L60-K63 PolarHBondContact O-N 3.49Å; L60-R64 HydrophobicContact CD1-CG 4.3Å; L60-R64 WeakPolarHBondContact O-CB 3.24Å; L60-R64 WeakPolarHBondContact O-CG 3.23Å; L60-R64 PolarHBondContact O-N 3.2Å
61K96.2Very high95.3Very high167 Ų16792.5 Ų92.573%0.72648%0.479SS*.Hα-helixtrans-61.2-41.3175.3-171.4175.8-179.3179.80111.6A57 K58 R64 A65A57-K61 PolarHBondContact O-N 2.69Å; K58-K61 PolarHBondContact O-N 3.14Å; K61-R64 PolarHBondContact O-N 2.88Å; K61-A65 WeakPolarHBondContact O-CB 3.15Å; K61-A65 PolarHBondContact O-N 3.08Å
62L96.7Very high95.9Very high86 Ų8696.5 Ų96.545%0.4550%0.496SS..Hα-helixtrans-68.4-39.4176.4-17861.5000112.7K58 Q59 L60 A65 R66K58-L62 WeakPolarHBondContact O-CB 3.32Å; K58-L62 PolarHBondContact O-N 3.3Å; Q59-L62 PolarHBondContact O-N 3.31Å; L60-L62 VanDerWaalsContact C-N 3.32Å; L60-L62 PolarHBondContact O-N 2.71Å; L62-A65 PolarHBondContact O-N 3.17Å; L62-R66 HydrophobicContact CD1-CG 4.18Å; L62-R66 WeakPolarHBondContact O-CB 3.17Å; L62-R66 WeakPolarHBondContact O-CG 3.43Å; L62-R66 PolarHBondContact O-N 3.5Å
63K96.3Very high96.3Very high118 Ų11896.2 Ų96.251%0.51349%0.494SS..Hα-helixtrans-61.2-44.5174.4-174.8179.3179.5-177.40110.5Q59 L60 L67Q59-K63 WeakPolarHBondContact O-CB 3.37Å; Q59-K63 PolarHBondContact O-N 3.01Å; L60-K63 PolarHBondContact O-N 3.49Å; K63-L67 VanDerWaalsContact O-CB 3.26Å; K63-L67 WeakPolarHBondContact O-CB 2.98Å; K63-L67 PolarHBondContact O-N 3.42Å; K63-L67 VanDerWaalsContact O-N 3.08Å
64R97.8Very high96.6Very high160 Ų16096.9 Ų96.960%0.60449%0.487SS*.Hα-helixtrans-67.7-40175.8-69.7177.7-172.5-169.72.8112.9L60 K61 A68L60-R64 HydrophobicContact CD1-CG 4.3Å; L60-R64 WeakPolarHBondContact O-CB 3.24Å; L60-R64 WeakPolarHBondContact O-CG 3.23Å; L60-R64 PolarHBondContact O-N 3.2Å; K61-R64 PolarHBondContact O-N 2.88Å; R64-A68 WeakPolarHBondContact O-CB 3.26Å; R64-A68 PolarHBondContact O-N 2.96Å
65A98.2Very high96.7Very high42 Ų4299 Ų9935%0.34749%0.491SS..Hα-helixtrans-62.6-56.9175.500000111.1K61 L62 L67 A68 D69K61-A65 WeakPolarHBondContact O-CB 3.15Å; K61-A65 PolarHBondContact O-N 3.08Å; L62-A65 PolarHBondContact O-N 3.17Å; A65-L67 PolarHBondContact O-N 3.36Å; A65-L67 VanDerWaalsContact O-N 3.17Å; A65-A68 CarbonylContact O-C 3.6Å; A65-A68 WeakPolarHBondContact O-CA 3.12Å; A65-A68 WeakPolarHBondContact O-CB 3.48Å; A65-A68 PolarHBondContact O-N 2.69Å; A65-D69 PolarHBondContact O-N 3.19Å; A65-D69 VanDerWaalsContact O-OD2 3.1Å
66R98.1Very high96.9Very high168 Ų16899.2 Ų99.263%0.63451%0.505SS*.Hα-helixtrans-55.6-37.3178.3-72.7176.6174.1-179.6-2.8113.3L62 D69 D70L62-R66 HydrophobicContact CD1-CG 4.18Å; L62-R66 WeakPolarHBondContact O-CB 3.17Å; L62-R66 WeakPolarHBondContact O-CG 3.43Å; L62-R66 PolarHBondContact O-N 3.5Å; R66-D69 PolarHBondContact O-N 2.97Å; R66-D70 VanDerWaalsContact O-CB 3.23Å; R66-D70 WeakPolarHBondContact O-CB 3.38Å; R66-D70 PolarHBondContact O-N 3.01Å
67L98.3Very high97Very high96 Ų96103.5 Ų103.550%0.50353%0.525SS..Hα-helixtrans-69.4-37.5175.3-178.263.2000112K63 A65 L71K63-L67 VanDerWaalsContact O-CB 3.26Å; K63-L67 WeakPolarHBondContact O-CB 2.98Å; K63-L67 PolarHBondContact O-N 3.42Å; K63-L67 VanDerWaalsContact O-N 3.08Å; A65-L67 PolarHBondContact O-N 3.36Å; A65-L67 VanDerWaalsContact O-N 3.17Å; L67-L71 HydrophobicContact CD1-CD1 4.02Å; L67-L71 HydrophobicContact CD1-CG 4.08Å; L67-L71 HydrophobicContact CG-CD1 3.92Å; L67-L71 HydrophobicContact CG-CG 4.38Å; L67-L71 VanDerWaalsContact O-CB 3.24Å; L67-L71 WeakPolarHBondContact O-CB 3.44Å; L67-L71 WeakPolarHBondContact O-CG 3.15Å; L67-L71 PolarHBondContact O-N 3.28Å
68A98.3Very high97.2Very high57 Ų57109.2 Ų109.247%0.47153%0.53SS..Hα-helixtrans-66.1-40.8173.500000111.5R64 A65 N72R64-A68 WeakPolarHBondContact O-CB 3.26Å; R64-A68 PolarHBondContact O-N 2.96Å; A65-A68 CarbonylContact O-C 3.6Å; A65-A68 WeakPolarHBondContact O-CA 3.12Å; A65-A68 WeakPolarHBondContact O-CB 3.48Å; A65-A68 PolarHBondContact O-N 2.69Å; A68-N72 WeakPolarHBondContact O-CB 3.27Å; A68-N72 PolarHBondContact O-N 2.94Å
69D98.3Very high97.2Very high105 Ų105104.4 Ų104.456%0.56152%0.515SS*.Hα-helixtrans-63.6-50.3177.6-54.1-37000111.1A65 R66 N72 E73A65-D69 PolarHBondContact O-N 3.19Å; A65-D69 VanDerWaalsContact O-OD2 3.1Å; R66-D69 PolarHBondContact O-N 2.97Å; D69-N72 PolarHBondContact O-N 2.78Å; D69-E73 PolarHBondContact O-N 2.99Å
70D98.5Very high97.3Very high61 Ų61101.7 Ų101.733%0.32651%0.509SS..Hα-helixtrans-60.6-43.5176.4169.288.4000112.9R66 K74R66-D70 VanDerWaalsContact O-CB 3.23Å; R66-D70 WeakPolarHBondContact O-CB 3.38Å; R66-D70 PolarHBondContact O-N 3.01Å; D70-K74 WeakPolarHBondContact O-CD 3.32Å; D70-K74 WeakPolarHBondContact O-CG 3.44Å; D70-K74 PolarHBondContact O-N 3.38Å; D70-K74 VanDerWaalsContact O-N 3.1Å; D70-K74 WeakPolarHBondContact OD1-CE 3.46Å; D70-K74 IonicContact OD1-NZ 2.71Å; D70-K74 PolarHBondContact OD1-NZ 3.44Å; D70-K74 WeakPolarHBondContact OD2-CE 3.44Å; D70-K74 IonicContact OD2-NZ 3.31Å; D70-K74 PolarHBondContact OD2-NZ 3.19Å
71L98.4Very high97.2Very high82 Ų82104.1 Ų104.143%0.42953%0.527SS..Hα-helixtrans-68-36.1174.9-72.1173.5000111.7L67 K74 I75L67-L71 HydrophobicContact CD1-CD1 4.02Å; L67-L71 HydrophobicContact CD1-CG 4.08Å; L67-L71 HydrophobicContact CG-CD1 3.92Å; L67-L71 HydrophobicContact CG-CG 4.38Å; L67-L71 VanDerWaalsContact O-CB 3.24Å; L67-L71 WeakPolarHBondContact O-CB 3.44Å; L67-L71 WeakPolarHBondContact O-CG 3.15Å; L67-L71 PolarHBondContact O-N 3.28Å; L71-K74 PolarHBondContact O-N 2.89Å; L71-I75 VanDerWaalsContact O-CB 3.32Å; L71-I75 WeakPolarHBondContact O-CB 3.38Å; L71-I75 WeakPolarHBondContact O-CD1 3.46Å; L71-I75 WeakPolarHBondContact O-CG1 3.42Å; L71-I75 PolarHBondContact O-N 3.36Å
72N98.2Very high96.9Very high114 Ų114100.3 Ų100.361%0.6151%0.513SS*.Hα-helixtrans-66.7-39.7178.3-172.678.2000111.6A68 D69 I75 A76A68-N72 WeakPolarHBondContact O-CB 3.27Å; A68-N72 PolarHBondContact O-N 2.94Å; D69-N72 PolarHBondContact O-N 2.78Å; N72-I75 PolarHBondContact O-N 2.83Å; N72-A76 WeakPolarHBondContact O-CB 3.33Å; N72-A76 PolarHBondContact O-N 3.28Å
73E97.6Very high96.7Very high115 Ų11599.6 Ų99.654%0.53751%0.507SS..Hα-helixtrans-61.4-48.3171.1-175.6177.117600111.6D69 I75 A76 Q77D69-E73 PolarHBondContact O-N 2.99Å; E73-I75 VanDerWaalsContact C-N 3.27Å; E73-I75 PolarHBondContact O-N 3.24Å; E73-A76 PolarHBondContact O-N 3.5Å; E73-A76 VanDerWaalsContact O-N 3.15Å; E73-Q77 PolarHBondContact O-N 2.87Å; E73-Q77 PolarHBondContact OE1-NE2 2.56Å
74K98Very high96.6Very high121 Ų12196.3 Ų96.353%0.52650%0.495SS..Hα-helixtrans-64.3-28.5178.6-72.1166.5-175.9166.30113.6D70 L71 R78D70-K74 WeakPolarHBondContact O-CD 3.32Å; D70-K74 WeakPolarHBondContact O-CG 3.44Å; D70-K74 PolarHBondContact O-N 3.38Å; D70-K74 VanDerWaalsContact O-N 3.1Å; D70-K74 WeakPolarHBondContact OD1-CE 3.46Å; D70-K74 IonicContact OD1-NZ 2.71Å; D70-K74 PolarHBondContact OD1-NZ 3.44Å; D70-K74 WeakPolarHBondContact OD2-CE 3.44Å; D70-K74 IonicContact OD2-NZ 3.31Å; D70-K74 PolarHBondContact OD2-NZ 3.19Å; L71-K74 PolarHBondContact O-N 2.89Å; K74-R78 PolarHBondContact O-N 3.27Å
75I97Very high96.3Very high111 Ų11189 Ų8957%0.56947%0.468SS*.Hα-helixtrans-80.3-34.2174.6-70164.1000111.1L71 N72 E73 R78L71-I75 VanDerWaalsContact O-CB 3.32Å; L71-I75 WeakPolarHBondContact O-CB 3.38Å; L71-I75 WeakPolarHBondContact O-CD1 3.46Å; L71-I75 WeakPolarHBondContact O-CG1 3.42Å; L71-I75 PolarHBondContact O-N 3.36Å; N72-I75 PolarHBondContact O-N 2.83Å; E73-I75 VanDerWaalsContact C-N 3.27Å; E73-I75 PolarHBondContact O-N 3.24Å; I75-R78 WeakPolarHBondContact O-CB 3.34Å; I75-R78 PolarHBondContact O-N 2.78Å
76A96.8Very high95.9Very high84 Ų8491.7 Ų91.769%0.69447%0.474SS*.Hα-helixtrans-67.5-37173.200000112.3N72 E73 R78N72-A76 WeakPolarHBondContact O-CB 3.33Å; N72-A76 PolarHBondContact O-N 3.28Å; E73-A76 PolarHBondContact O-N 3.5Å; E73-A76 VanDerWaalsContact O-N 3.15Å; A76-R78 VanDerWaalsContact C-N 3.26Å; A76-R78 PolarHBondContact O-N 2.89Å
77Q96.3Very high95.6Very high136 Ų13688.9 Ų88.964%0.63647%0.466SS*.THydrogen-bonded Turntrans-86.115.9174.5-61.6177.323.200113.3E73 P79E73-Q77 PolarHBondContact O-N 2.87Å; E73-Q77 PolarHBondContact OE1-NE2 2.56Å; Q77-P79 WeakPolarHBondContact O-CD 3.44Å
78R97.2Very high95.1Very high195 Ų19589.3 Ų89.374%0.73647%0.469SS*.PPolyproline II helixtrans-67.1121.9-175.8179.9179.6-179.9177.41.7111.1K74 I75 A76 G80K74-R78 PolarHBondContact O-N 3.27Å; I75-R78 WeakPolarHBondContact O-CB 3.34Å; I75-R78 PolarHBondContact O-N 2.78Å; A76-R78 VanDerWaalsContact C-N 3.26Å; A76-R78 PolarHBondContact O-N 2.89Å; R78-G80 PolarHBondContact O-N 3.38Å
79P96Very high94.9Very high53 Ų5392 Ų9234%0.34447%0.474SS..PPolyproline II helixtrans-55.2135.6178.7-29.937.5000113.7Q77 E83 L84Q77-P79 WeakPolarHBondContact O-CD 3.44Å; P79-E83 VanDerWaalsContact CA-OE1 3.32Å; P79-E83 WeakPolarHBondContact CA-OE1 3.17Å; P79-E83 HydrophobicContact CB-CB 4.31Å; P79-L84 HydrophobicContact CB-CD2 4.15Å; P79-L84 HydrophobicContact CB-CG 4.33Å
80G95.8Very high94.5Very high26 Ų2690.5 Ų90.527%0.26847%0.465SS..PPolyproline II helixtrans-67.1159.3174.400000112.6R78 M82 E83 L84R78-G80 PolarHBondContact O-N 3.38Å; G80-M82 PolarHBondContact O-N 2.85Å; G80-E83 PolarHBondContact N-OE1 3.33Å; G80-E83 WeakPolarHBondContact O-CB 3.47Å; G80-E83 PolarHBondContact O-N 2.84Å; G80-L84 PolarHBondContact O-N 2.79Å
81P93.4Very high93.9Very high89 Ų8993.6 Ų93.658%0.57849%0.489SS*.Hα-helixtrans-60.8-30.7179.624.7-33.8000112.9L84 V85P81-L84 PolarHBondContact O-N 2.93Å; P81-V85 WeakPolarHBondContact O-CG2 3.35Å; P81-V85 PolarHBondContact O-N 3.39Å; P81-V85 VanDerWaalsContact O-N 3.16Å
82M90.2Very high93.1Very high87 Ų8791.8 Ų91.843%0.42948%0.481SS..Hα-helixtrans-69.9-41.8175.9-63.1-68.989.600112.3G80 L84 V85 E86 I100G80-M82 PolarHBondContact O-N 2.85Å; M82-L84 PolarHBondContact O-N 2.91Å; M82-V85 HydrophobicContact CE-CG2 4.14Å; M82-V85 WeakPolarHBondContact O-CB 3.23Å; M82-V85 PolarHBondContact O-N 3.01Å; M82-E86 WeakPolarHBondContact O-CG 3.48Å; M82-E86 PolarHBondContact O-N 3.49Å; M82-I100 HydrophobicContact SD-CD1 4.46Å
83E91.4Very high92Very high72 Ų7294 Ų9434%0.33649%0.488SS..Hα-helixtrans-58.8-36.9172-65176-11600112P79 G80 V85 E86 K87P79-E83 VanDerWaalsContact CA-OE1 3.32Å; P79-E83 WeakPolarHBondContact CA-OE1 3.17Å; P79-E83 HydrophobicContact CB-CB 4.31Å; G80-E83 PolarHBondContact N-OE1 3.33Å; G80-E83 WeakPolarHBondContact O-CB 3.47Å; G80-E83 PolarHBondContact O-N 2.84Å; E83-V85 VanDerWaalsContact C-N 3.3Å; E83-E86 PolarHBondContact O-N 2.93Å; E83-K87 HydrophobicContact CB-CD 4.37Å; E83-K87 WeakPolarHBondContact O-CB 3.33Å; E83-K87 VanDerWaalsContact O-CD 3.28Å; E83-K87 WeakPolarHBondContact O-CD 3.45Å; E83-K87 WeakPolarHBondContact O-CG 3.39Å; E83-K87 PolarHBondContact O-N 2.89Å; E83-K87 IonicContact OE2-NZ 2.65Å; E83-K87 PolarHBondContact OE2-NZ 3.27Å
84L95.4Very high90.7Very high48 Ų4892.6 Ų92.625%0.25149%0.491SS..Hα-helixtrans-70.7-26.9178.2-63.9174.2000112.2P79 G80 P81 M82 N88 I89 L90P79-L84 HydrophobicContact CB-CD2 4.15Å; P79-L84 HydrophobicContact CB-CG 4.33Å; G80-L84 PolarHBondContact O-N 2.79Å; P81-L84 PolarHBondContact O-N 2.93Å; M82-L84 PolarHBondContact O-N 2.91Å; L84-N88 PolarHBondContact O-N 3.24Å; L84-I89 HydrophobicContact CB-CB 4.48Å; L84-I89 HydrophobicContact CD2-CB 4.48Å; L84-I89 HydrophobicContact CD2-CD1 3.86Å; L84-I89 WeakPolarHBondContact O-CA 3.42Å; L84-I89 WeakPolarHBondContact O-CB 3.43Å; L84-I89 PolarHBondContact O-N 2.92Å; L84-L90 HydrophobicContact CB-CD1 3.74Å; L84-L90 HydrophobicContact CB-CG 3.83Å; L84-L90 HydrophobicContact CD1-CD1 4.2Å; L84-L90 PolarHBondContact O-N 2.91Å
85V91.1Very high89Confident7 Ų791.6 Ų91.64%0.04250%0.499CS..Hα-helixtrans-73-46.8169.9171.50000110.9P81 M82 E83 K87 N88 L90 V92P81-V85 WeakPolarHBondContact O-CG2 3.35Å; P81-V85 PolarHBondContact O-N 3.39Å; P81-V85 VanDerWaalsContact O-N 3.16Å; M82-V85 HydrophobicContact CE-CG2 4.14Å; M82-V85 WeakPolarHBondContact O-CB 3.23Å; M82-V85 PolarHBondContact O-N 3.01Å; E83-V85 VanDerWaalsContact C-N 3.3Å; V85-K87 VanDerWaalsContact C-N 3.31Å; V85-K87 PolarHBondContact O-N 2.9Å; V85-N88 WeakPolarHBondContact O-CA 3.47Å; V85-N88 PolarHBondContact O-N 2.71Å; V85-L90 HydrophobicContact CG2-CB 3.8Å; V85-V92 HydrophobicContact CB-CG2 4.25Å; V85-V92 HydrophobicContact CG1-CB 3.97Å; V85-V92 HydrophobicContact CG1-CG2 3.6Å; V85-V92 HydrophobicContact CG2-CG2 3.53Å
86E90.6Very high87.5Confident99 Ų9990.4 Ų90.446%0.46349%0.494SS..Hα-helixtrans-59.3-41175.4-70166.6-166.500111.9M82 E83 N88M82-E86 WeakPolarHBondContact O-CG 3.48Å; M82-E86 PolarHBondContact O-N 3.49Å; E83-E86 PolarHBondContact O-N 2.93Å; E86-N88 PolarHBondContact O-N 2.98Å; E86-N88 PolarHBondContact O-ND2 3.45Å; E86-N88 VanDerWaalsContact O-ND2 3.08Å
87K91.7Very high85.8Confident108 Ų10889.4 Ų89.447%0.4747%0.473SS..THydrogen-bonded Turntrans-73.72.5174.7-67.6161.6-172.5169.80113.1E83 V85 I89E83-K87 HydrophobicContact CB-CD 4.37Å; E83-K87 WeakPolarHBondContact O-CB 3.33Å; E83-K87 VanDerWaalsContact O-CD 3.28Å; E83-K87 WeakPolarHBondContact O-CD 3.45Å; E83-K87 WeakPolarHBondContact O-CG 3.39Å; E83-K87 PolarHBondContact O-N 2.89Å; E83-K87 IonicContact OE2-NZ 2.65Å; E83-K87 PolarHBondContact OE2-NZ 3.27Å; V85-K87 VanDerWaalsContact C-N 3.31Å; V85-K87 PolarHBondContact O-N 2.9Å; K87-I89 HydrophobicContact CB-CD1 3.91Å; K87-I89 HydrophobicContact CB-CG1 4.16Å; K87-I89 PolarHBondContact O-N 3.37Å
88N87.6Confident84.3Confident105 Ų10589.4 Ų89.456%0.56147%0.473SS*.THydrogen-bonded Turntrans63.817.9178.8-52.4-93.2000114.9L84 V85 E86 K97L84-N88 PolarHBondContact O-N 3.24Å; V85-N88 WeakPolarHBondContact O-CA 3.47Å; V85-N88 PolarHBondContact O-N 2.71Å; E86-N88 PolarHBondContact O-N 2.98Å; E86-N88 PolarHBondContact O-ND2 3.45Å; E86-N88 VanDerWaalsContact O-ND2 3.08Å; N88-K97 WeakPolarHBondContact OD1-CE 3.46Å; N88-K97 PolarHBondContact OD1-NZ 3.32Å
89I92.5Very high82.6Confident113 Ų11381.1 Ų81.158%0.57945%0.447SS*.SBendtrans-84.9-34.1-179.3-60.1167.8000110.6L84 K87L84-I89 HydrophobicContact CB-CB 4.48Å; L84-I89 HydrophobicContact CD2-CB 4.48Å; L84-I89 HydrophobicContact CD2-CD1 3.86Å; L84-I89 WeakPolarHBondContact O-CA 3.42Å; L84-I89 WeakPolarHBondContact O-CB 3.43Å; L84-I89 PolarHBondContact O-N 2.92Å; K87-I89 HydrophobicContact CB-CD1 3.91Å; K87-I89 HydrophobicContact CB-CG1 4.16Å; K87-I89 PolarHBondContact O-N 3.37Å
90L91.4Very high81Confident74 Ų7480 Ų8039%0.38744%0.438SS..SBendtrans-104.7128.5172.3-66.8179.1000110.7L84 V85L84-L90 HydrophobicContact CB-CD1 3.74Å; L84-L90 HydrophobicContact CB-CG 3.83Å; L84-L90 HydrophobicContact CD1-CD1 4.2Å; L84-L90 PolarHBondContact O-N 2.91Å; V85-L90 HydrophobicContact CG2-CB 3.8Å
91P85.2Confident79.5Confident126 Ų12683.9 Ų83.982%0.81845%0.451SS*.  trans-75.2139.8178.531-34.5000111.5
92V82.3Confident78.1Confident45 Ų4584.8 Ų84.827%0.27346%0.455SS..  trans-143145175.8168.30000108.7V85 S94 L96 K97V85-V92 HydrophobicContact CB-CG2 4.25Å; V85-V92 HydrophobicContact CG1-CB 3.97Å; V85-V92 HydrophobicContact CG1-CG2 3.6Å; V85-V92 HydrophobicContact CG2-CG2 3.53Å; V92-S94 PolarHBondContact O-N 2.82Å; V92-L96 HydrophobicContact CG1-CB 3.89Å; V92-L96 HydrophobicContact CG1-CD2 3.86Å; V92-L96 HydrophobicContact CG1-CG 4.4Å; V92-K97 HydrophobicContact CG1-CB 4.38Å
93E74.2Confident76.5Confident160 Ų16083.5 Ų83.575%0.74846%0.464SS*.  trans-43.4124.8171.9-74.7-67.7168.600111.9S95 L96 K97E93-S95 PolarHBondContact O-N 3.18Å; E93-L96 PolarHBondContact O-N 2.82Å; E93-K97 PolarHBondContact O-N 2.69Å
94S70.9Confident74.9Confident86 Ų8687.8 Ų87.860%0.60148%0.484SS*.Hα-helixtrans-54.9-37.1-167.2-530000113.6V92 K97 E98V92-S94 PolarHBondContact O-N 2.82Å; S94-K97 PolarHBondContact O-N 3.23Å; S94-E98 PolarHBondContact O-N 3.08Å
95S62.4Low72.6Confident100 Ų10088.2 Ų88.270%0.69949%0.488SS*.Hα-helixtrans-62.9-41177-178.10000112.9E93 A99E93-S95 PolarHBondContact O-N 3.18Å; S95-A99 WeakPolarHBondContact O-CB 3.48Å; S95-A99 PolarHBondContact O-N 2.84Å
96L64.8Low70.6Confident86 Ų8695.1 Ų95.145%0.4553%0.525SS..Hα-helixtrans-73.6-37.1177.2-159.985.8000111V92 E93 A99 I100V92-L96 HydrophobicContact CG1-CB 3.89Å; V92-L96 HydrophobicContact CG1-CD2 3.86Å; V92-L96 HydrophobicContact CG1-CG 4.4Å; E93-L96 PolarHBondContact O-N 2.82Å; L96-A99 PolarHBondContact O-N 2.89Å; L96-I100 HydrophobicContact CD2-CD1 4.16Å; L96-I100 HydrophobicContact CG-CD1 4.16Å; L96-I100 VanDerWaalsContact O-CG1 3.28Å; L96-I100 WeakPolarHBondContact O-CG1 3.35Å; L96-I100 PolarHBondContact O-N 2.84Å
97K62.5Low68.4Low62 Ų6298.2 Ų98.227%0.2753%0.534SS..Hα-helixtrans-61.6-44.8177.8-173.1-174.7178.2-171.70111.9N88 V92 E93 S94 I100 I101N88-K97 WeakPolarHBondContact OD1-CE 3.46Å; N88-K97 PolarHBondContact OD1-NZ 3.32Å; V92-K97 HydrophobicContact CG1-CB 4.38Å; E93-K97 PolarHBondContact O-N 2.69Å; S94-K97 PolarHBondContact O-N 3.23Å; K97-I100 PolarHBondContact O-N 3.33Å; K97-I101 HydrophobicContact CG-CD1 4.02Å; K97-I101 VanDerWaalsContact O-CG1 3.32Å; K97-I101 WeakPolarHBondContact O-CG1 3.36Å; K97-I101 PolarHBondContact O-N 3.09Å; K97-I101 VanDerWaalsContact O-N 3.09Å
98E63.5Low66.2Low136 Ų13698.4 Ų98.464%0.63655%0.546SS*.Hα-helixtrans-65.6-42.9173.6-72.4-177.6-177.800111.7S94 I100 I101 V102S94-E98 PolarHBondContact O-N 3.08Å; E98-I100 VanDerWaalsContact C-N 3.29Å; E98-I100 PolarHBondContact O-N 3.19Å; E98-I101 PolarHBondContact O-N 3.45Å; E98-V102 VanDerWaalsContact O-CB 3.29Å; E98-V102 WeakPolarHBondContact O-CB 3.47Å; E98-V102 VanDerWaalsContact O-CG2 3.26Å; E98-V102 WeakPolarHBondContact O-CG2 3.45Å; E98-V102 PolarHBondContact O-N 2.88Å
99A61.6Low64Low22 Ų22101 Ų10118%0.18255%0.553CS.*Hα-helixtrans-61.2-34.3177.600000113.8S95 L96 G103 Q104S95-A99 WeakPolarHBondContact O-CB 3.48Å; S95-A99 PolarHBondContact O-N 2.84Å; L96-A99 PolarHBondContact O-N 2.89Å; A99-G103 PolarHBondContact O-N 3.22Å; A99-Q104 PolarHBondContact O-N 3.04Å
100I62.7Low61.4Low29 Ų29102.3 Ų102.315%0.14957%0.565CS.*Hα-helixtrans-70.1-51.9174.1-69.3163.6000110.4M82 L96 K97 E98 V102 G103 V105M82-I100 HydrophobicContact SD-CD1 4.46Å; L96-I100 HydrophobicContact CD2-CD1 4.16Å; L96-I100 HydrophobicContact CG-CD1 4.16Å; L96-I100 VanDerWaalsContact O-CG1 3.28Å; L96-I100 WeakPolarHBondContact O-CG1 3.35Å; L96-I100 PolarHBondContact O-N 2.84Å; K97-I100 PolarHBondContact O-N 3.33Å; E98-I100 VanDerWaalsContact C-N 3.29Å; E98-I100 PolarHBondContact O-N 3.19Å; I100-V102 VanDerWaalsContact C-N 3.31Å; I100-V102 PolarHBondContact O-N 3.36Å; I100-G103 PolarHBondContact O-N 3.31Å; I100-V105 HydrophobicContact CB-CG2 4.43Å; I100-V105 HydrophobicContact CG1-CG2 3.73Å
101I64.3Low59Low107 Ų107102.4 Ų102.455%0.54958%0.577SS.*Hα-helixtrans-65.4-32.8-177.1-67.2168.7000112.1K97 E98 G103K97-I101 HydrophobicContact CG-CD1 4.02Å; K97-I101 VanDerWaalsContact O-CG1 3.32Å; K97-I101 WeakPolarHBondContact O-CG1 3.36Å; K97-I101 PolarHBondContact O-N 3.09Å; K97-I101 VanDerWaalsContact O-N 3.09Å; E98-I101 PolarHBondContact O-N 3.45Å; I101-G103 VanDerWaalsContact C-N 3.25Å; I101-G103 PolarHBondContact O-N 3.4Å
102V63.2Low56.7Low108 Ų108101.8 Ų101.866%0.65557%0.567SS**THydrogen-bonded Turntrans-82-2.6176177.90000112.1E98 I100 Q104E98-V102 VanDerWaalsContact O-CB 3.29Å; E98-V102 WeakPolarHBondContact O-CB 3.47Å; E98-V102 VanDerWaalsContact O-CG2 3.26Å; E98-V102 WeakPolarHBondContact O-CG2 3.45Å; E98-V102 PolarHBondContact O-N 2.88Å; I100-V102 VanDerWaalsContact C-N 3.31Å; I100-V102 PolarHBondContact O-N 3.36Å; V102-Q104 VanDerWaalsContact C-N 3.29Å; V102-Q104 PolarHBondContact O-N 2.85Å
103G58Low55Low61 Ų61105.8 Ų105.863%0.62960%0.597SS**THydrogen-bonded Turntrans69.622.6176.400000114.3A99 I100 I101A99-G103 PolarHBondContact O-N 3.22Å; I100-G103 PolarHBondContact O-N 3.31Å; I101-G103 VanDerWaalsContact C-N 3.25Å; I101-G103 PolarHBondContact O-N 3.4Å
104Q56.8Low53.6Low162 Ų162103.4 Ų103.476%0.75760%0.598SS**  trans-88-15.8-172.8-154.8171.840.700113.4A99 V102A99-Q104 PolarHBondContact O-N 3.04Å; V102-Q104 VanDerWaalsContact C-N 3.29Å; V102-Q104 PolarHBondContact O-N 2.85Å
105V46.9Very low52.3Low56 Ų56104.6 Ų104.634%0.33961%0.606SS.*SBendtrans-94.2105.2168.4-82.30000111.2I100 Y107I100-V105 HydrophobicContact CB-CG2 4.43Å; I100-V105 HydrophobicContact CG1-CG2 3.73Å; V105-Y107 HydrophobicContact CB-CD2 4.36Å; V105-Y107 HydrophobicContact CB-CE2 4.12Å; V105-Y107 HydrophobicContact CG2-CD2 4.37Å; V105-Y107 HydrophobicContact CG2-CE2 4.07Å; V105-Y107 PolarHBondContact O-N 2.94Å
106N49.6Very low50.7Low153 Ų153108.1 Ų108.182%0.81861%0.609SS**  trans-72.697173.2-173.5-40000110.3
107Y44.8Very low49.5Very low163 Ų163112.2 Ų112.264%0.63963%0.632SS**  trans-85140.9156.4-73.5-87.8000109.1V105 K109V105-Y107 HydrophobicContact CB-CD2 4.36Å; V105-Y107 HydrophobicContact CB-CE2 4.12Å; V105-Y107 HydrophobicContact CG2-CD2 4.37Å; V105-Y107 HydrophobicContact CG2-CE2 4.07Å; V105-Y107 PolarHBondContact O-N 2.94Å; Y107-K109 PolarHBondContact O-N 2.92Å
108P46Very low48.6Very low113 Ų113116.2 Ų116.273%0.73465%0.651SS**  trans-65.1101178.326.7-33.8000110V110P108-V110 PolarHBondContact O-N 3.22Å
109K39.8Very low47.3Very low160 Ų160116.9 Ų116.970%0.69666%0.659SS**  trans-62.7103.1177.6-173.7-172.9177.4-156.20109.2Y107 A111 D112Y107-K109 PolarHBondContact O-N 2.92Å; K109-A111 PolarHBondContact O-N 3.1Å; K109-D112 IonicContact NZ-OD1 3.41Å; K109-D112 PolarHBondContact NZ-OD1 3.22Å; K109-D112 IonicContact NZ-OD2 2.66Å; K109-D112 PolarHBondContact NZ-OD2 2.93Å
110V38.6Very low46.4Very low139 Ų139121.1 Ų121.184%0.84269%0.687SS**  trans-61.7115163.3-79.30000107.9P108 D112P108-V110 PolarHBondContact O-N 3.22Å; V110-D112 PolarHBondContact O-N 3.39Å
111A42Very low45.5Very low77 Ų77124.2 Ų124.264%0.63671%0.712SS**  trans-77.4121.8-173.400000111K109 S113K109-A111 PolarHBondContact O-N 3.1Å; A111-S113 PolarHBondContact O-N 2.81Å
112D35.7Very low44.3Very low112 Ų112127 Ų12760%0.59973%0.728SS**  trans40.370.5132.6-45.5-22.7000114.9K109 V110 S114K109-D112 IonicContact NZ-OD1 3.41Å; K109-D112 PolarHBondContact NZ-OD1 3.22Å; K109-D112 IonicContact NZ-OD2 2.66Å; K109-D112 PolarHBondContact NZ-OD2 2.93Å; V110-D112 PolarHBondContact O-N 3.39Å; D112-S114 PolarHBondContact O-N 2.66Å
113S46.5Very low43.1Very low130 Ų130125.3 Ų125.391%0.90973%0.725SS**SBendtrans-7557.517765.30000112.8A111A111-S113 PolarHBondContact O-N 2.81Å
114S44.7Very low41.8Very low110 Ų110130.3 Ų130.377%0.76974%0.737SS**  trans-15256-178.264.90000112.2D112D112-S114 PolarHBondContact O-N 2.66Å
115S43Very low41Very low111 Ų111128 Ų12878%0.77674%0.738SS**  trans-159.582.6171178.20000111.6
116F29.8Very low41Very low173 Ų173130.7 Ų130.776%0.75976%0.757SS**  trans-148.265161.8-158.4-92.5000111E118F116-E118 HydrophobicContact CD1-CB 4.47Å; F116-E118 HydrophobicContact CE1-CB 3.84Å; F116-E118 HydrophobicContact CZ-CB 3.9Å; F116-E118 PolarHBondContact O-N 3.37Å
117D39.9Very low39.8Very low172 Ų172132.2 Ų132.292%0.9276%0.759SS**  trans-84.291.6161.5-74.5-76.4000108.6
118E43Very low39.6Very low146 Ų146132.8 Ų132.868%0.68277%0.767SS**  trans-136.576166.7-162.6166.996.500110.3F116 S120F116-E118 HydrophobicContact CD1-CB 4.47Å; F116-E118 HydrophobicContact CE1-CB 3.84Å; F116-E118 HydrophobicContact CZ-CB 3.9Å; F116-E118 PolarHBondContact O-N 3.37Å; E118-S120 PolarHBondContact O-N 2.82Å
119D36.1Very low38.8Very low150 Ų150133.4 Ų133.480%0.80277%0.772SS**  trans-75.4105159.9175.722.7000108.9S121D119-S121 PolarHBondContact OD1-OG 3.27Å
120S43.1Very low38Very low111 Ų111129.6 Ų129.678%0.77677%0.77SS**  trans-147.4128.7162.3-166.70000108.7E118E118-S120 PolarHBondContact O-N 2.82Å
121S43.3Very low37.6Very low94 Ų94128.5 Ų128.566%0.65777%0.768SS**  trans-126.9149.6-154.6-76.80000114D119D119-S121 PolarHBondContact OD1-OG 3.27Å
122D39.6Very low37Very low166 Ų166133.6 Ų133.689%0.88878%0.779SS**  trans63.1141.2161.9-126.19.1000116.6
123A37.6Very low36.5Very low72 Ų72136.9 Ų136.960%0.59579%0.79SS**  cis-152.9170.73.600000107.9
124L31.9Very low35.6Very low167 Ų167135 Ų13587%0.87478%0.778SS**  cis-144.3163.718.8-74.1162000111.1
125S39.3Very low34.8Very low112 Ų112138.8 Ų138.878%0.78378%0.783SS**  trans-63.8166.8154.8-63.70000111.7
126P47.4Very low34Very low114 Ų114137 Ų13774%0.7478%0.782SS**  cis-140.3-163.315.641.8-21.3000115.7
127E23.9Very low33.7Very low185 Ų185135.1 Ų135.186%0.86479%0.79SS**  trans90.6162.7152.8-144.5146.5113.300118.1
128Q39.3Very low33.1Very low174 Ų174133.3 Ų133.381%0.81379%0.785SS**  trans-88.2174.1-173.7-53.8-173.1-9800111.2
129P29.4Very low32.9Very low127 Ų127131.7 Ų131.783%0.82579%0.788SS**  trans-116.6135.61317.810.4000111.3
130A23.3Very low32.2Very low79 Ų79129.9 Ų129.965%0.65379%0.786SS**  trans-83.9158.7159.200000110.4
131S30.6Very low32.1Very low116 Ų116129.4 Ų129.481%0.81178%0.781SS**  trans13.4125.2149.2-49.20000119.4
132H29.6Very low31.4Very low185 Ų185132 Ų13286%0.85679%0.786SS**  trans-136116.8152.8-109.1-98.6000111.2
133E24.3Very low30.7Very low181 Ų181132.7 Ų132.785%0.84678%0.784SS**  -157.6111.5115.5-167.1-177.8108.500111
134S28.7Very low30.3Very low91 Ų91133 Ų13364%0.63679%0.787SS**SBendtrans-176.6115.7138.4-86.90000112.1
135Q28.5Very low30Very low188 Ų188136.3 Ų136.388%0.87979%0.788SS**  trans63.6129.9151.8-51.4-60.4-30.800120.3
136G24.7Very low29.5Very low74 Ų74135.9 Ų135.976%0.76378%0.78SS**  trans144.756.3147.300000123.6
137S24.8Very low28.6Very low133 Ų133136.2 Ų136.293%0.9379%0.786SS**  trans68.8151151.4-68.90000124.1
138V27.5Very low28.7Very low134 Ų134134.7 Ų134.781%0.81278%0.778SS**  trans-90.4-177.4176-780000113.1
139P38.7Very low28.6Very low113 Ų113128.3 Ų128.373%0.73475%0.752SS**  cis-120.3168-816.210.2000113.9
140S20.8Very low28.6Very low111 Ų111126.5 Ų126.578%0.77674%0.735SS**  68.215460.3-128.50000115.1
141P40.3Very low29.2Very low101 Ų101127 Ų12766%0.65673%0.726SS**  cis-147.1-170.63.337.3-12.7000118.5
142L28.3Very low29.3Very low148 Ų148127 Ų12778%0.77573%0.726SS**  trans75.8124.9158.7-53.2-173.2000120.1
143E26.5Very low29.4Very low182 Ų182122.1 Ų122.185%0.8572%0.718SS**  88.9142.361.9-75.4-140.5114.800115.5
144A28.2Very low29.7Very low79 Ų79120 Ų12065%0.65372%0.717SS**  cis-168.2162.5-11.400000115
145R26.1Very low29.7Very low235 Ų235120.6 Ų120.689%0.88772%0.722SS**  trans70.9136.1147.6-100.4-165.9163.6-112.1-2.8126.5
146V27.5Very low29.7Very low103 Ų103116.5 Ų116.562%0.62472%0.72SS**  trans105.3109.2132.8163.90000124.7
147S29.2Very low29.8Very low122 Ų122118.2 Ų118.285%0.85372%0.72SS**  trans82.7167.1135.1-650000127.3
148E25.6Very low30.5Very low152 Ų152116.8 Ų116.871%0.7171%0.708SS**  trans-1230-148.4-128-155.9111.300114.7
149P37.7Very low30.4Very low40 Ų40116.3 Ų116.326%0.2671%0.705SS.*  0-178.5044.4-23.9000119.4P379 A380 E381P149-P379 CarbonylContact O-C 3.42Å; P149-P379 WeakPolarHBondContact O-CA 3.41Å; P149-P379 WeakPolarHBondContact O-CB 3.47Å; P149-P379 WeakPolarHBondContact O-CD 3.44Å; P149-P379 WeakPolarHBondContact O-CG 3.27Å; P149-A380 WeakPolarHBondContact O-CA 3.31Å; P149-A380 PolarHBondContact O-N 2.89Å; P149-E381 HydrophobicContact CB-CG 4.39Å; P149-E381 HydrophobicContact CG-CB 4.23Å; P149-E381 HydrophobicContact CG-CG 4.29Å
150L29.3Very low29.8Very low89 Ų89118.2 Ų118.247%0.46670%0.704SS.*  trans-35.8153.5-171.6-6270.7000123.6P379 A380 E381L150-P379 VanDerWaalsContact C-CB 3.46Å; L150-A380 CarbonylContact O-C 2.79Å; L150-A380 WeakPolarHBondContact O-CA 3.28Å; L150-A380 PolarHBondContact O-N 2.87Å; L150-A380 VanDerWaalsContact O-N 3.14Å; L150-E381 HydrophobicContact CB-CG 4.17Å; L150-E381 VanDerWaalsContact O-CA 3.24Å; L150-E381 WeakPolarHBondContact O-CA 3.4Å; L150-E381 PolarHBondContact O-N 3.42Å
151L36.6Very low30.3Very low90 Ų90120 Ų12047%0.47170%0.7SS.*  trans93.6156.9161.8-47.8-171000122.6P379 A380L151-P379 WeakPolarHBondContact O-CB 3.37Å; L151-A380 PolarHBondContact O-N 2.98Å
152S32.4Very low29.7Very low115 Ų115119.5 Ų119.580%0.80470%0.7SS**  cis-159.4-178.85.2-139.50000116.7
153A32.4Very low29.7Very low83 Ų83121.1 Ų121.169%0.68670%0.703SS**  trans-76-177.6-17500000116.1
154T30.7Very low30.6Very low136 Ų136117 Ų11783%0.83469%0.692SS**  cis-165.1-161.931-20.90000109.3
155S28.3Very low30.5Very low105 Ų105122.9 Ų122.973%0.73470%0.703SS**  cis-169.6176.21.7430000112.9
156A28.6Very low30.7Very low101 Ų101117.9 Ų117.984%0.83570%0.704SS**  trans90.2156.1148.400000123.4
157S25.6Very low30.8Very low111 Ų111117.8 Ų117.878%0.77671%0.714SS**  trans-116.9-154.2-168.355.90000110.9
158P39.6Very low30.5Very low102 Ų102117.1 Ų117.166%0.66271%0.709SS**  cis-153.317910.937.9-11.9000121.5
159T24.8Very low30.4Very low124 Ų124116.6 Ų116.676%0.76171%0.707SS**  trans77155.9138.338.10000127.4
160Q27.7Very low29.9Very low153 Ų153122.1 Ų122.172%0.71573%0.727SS**  trans82.9147.2152.2-66.1-102.493.600119.7
161Q30.9Very low29.9Very low149 Ų149123.2 Ų123.270%0.69674%0.742SS**  cis-166.8152.7-19.6-158.3-179.95.700113
162S27.8Very low29.8Very low91 Ų91127.7 Ų127.764%0.63676%0.76SS**  trans53.2117.4149.655.30000126.4
163Q28.2Very low30Very low182 Ų182130 Ų13085%0.8575%0.752SS**  50.2162.6113.4-64.6-105.6-21.900123
164P45.6Very low30.2Very low96 Ų96130.7 Ų130.762%0.62375%0.751SS**  cis-146.7-176.8-44.843.8-25.9000116.6
165K26.1Very low30.7Very low202 Ų202131.3 Ų131.388%0.87874%0.742SS**  trans60.9121.7155.3-76.7-179.2176177.80121.8
166S30.3Very low30.9Very low130 Ų130130.8 Ų130.891%0.90973%0.727SS**  173.9-173.2110.7500000110.5
167A28.4Very low31.4Very low101 Ų101130.8 Ų130.884%0.83573%0.727SS**  trans-141.6166.9-160.600000115.3
168S23.4Very low31.9Very low108 Ų108133 Ų13376%0.75572%0.723SS**  trans115.6132.7157.5-156.50000117.6
169E24Very low31.7Very low140 Ų140136.6 Ų136.665%0.65473%0.731SS**  trans81139144.6-110.1-166.3116.600123.9
170K28.2Very low32.9Very low156 Ų156137.9 Ų137.968%0.67873%0.732SS**  trans59.4116.3147.369.5-159.6140.8-1480123.4
171S28.9Very low33.5Very low112 Ų112137.3 Ų137.378%0.78373%0.727SS**  trans95.3153133.8-77.90000123.1
172Q33.5Very low34.3Very low184 Ų184136 Ų13686%0.8673%0.731SS**  trans73.296157.3-78.5169.6-34.700120.8
173R37.2Very low35Very low164 Ų164140.9 Ų140.962%0.61974%0.741SS**  trans-71.3116.4158.2168.7-176.9171.8-175.2-1.1111.2G848 P849 V850R173-G848 PolarHBondContact NE-O 3.24Å; R173-G848 VanDerWaalsContact NE-O 3.16Å; R173-G848 PolarHBondContact NH2-O 3.24Å; R173-P849 VanDerWaalsContact CD-O 3.3Å; R173-P849 WeakPolarHBondContact CD-O 3.47Å; R173-P849 VanDerWaalsContact CZ-C 3.44Å; R173-P849 PolarHBondContact NE-O 2.78Å; R173-V850 PolarHBondContact NH1-O 3.08Å
174S35.9Very low36Very low98 Ų98139 Ų13969%0.68574%0.741SS**  trans-155.2126.6167.257.40000115.8
175K41.2Very low36.9Very low148 Ų148143.5 Ų143.564%0.64375%0.751SS**  trans60.498.1133.6-65.4-170.6171.8178.50121.4G847K175-G847 WeakPolarHBondContact CA-O 3.48Å; K175-G847 PolarHBondContact N-O 2.86Å; K175-G847 VanDerWaalsContact N-O 3.11Å
176K33.6Very low38.7Very low95 Ų95143.8 Ų143.841%0.41375%0.752SS.*  94.5114.2127.2-162.8-174.9-137.2156.20121.5K178 L844 S845 S846K176-K178 HydrophobicContact CG-CB 4.41Å; K176-L844 PolarHBondContact NZ-O 2.75Å; K176-S845 PolarHBondContact NZ-OG 3.33Å; K176-S846 WeakPolarHBondContact CD-OG 3.47Å; K176-S846 WeakPolarHBondContact CE-OG 3.24Å; K176-S846 PolarHBondContact NZ-OG 2.73Å
177A37.9Very low39.9Very low100 Ų100145.1 Ų145.183%0.82675%0.749SS**  -130.6116.6122.700000106.3
178K36.8Very low41.5Very low159 Ų159149.1 Ų149.169%0.69175%0.747SS**  75.55162.9-162.388.9179.6-163.90113K176K176-K178 HydrophobicContact CG-CB 4.41Å
179E34.8Very low43.1Very low177 Ų177154.8 Ų154.883%0.82775%0.754SS**  trans-58.9136.9162.4-175.1-177.1-165.300111.2
180L49.8Very low45.2Very low151 Ų151156.8 Ų156.879%0.79176%0.763SS**  trans-98.2105.2175.8-75.2173.1000110.1
181K42.1Very low46.4Very low141 Ų141158.1 Ų158.161%0.61377%0.771SS**  trans-54.3128.8178.6-63.4-173.8177.1-171.70111.6K183K181-K183 PolarHBondContact O-N 2.92Å
182P46.4Very low47.6Very low120 Ų120161.3 Ų161.378%0.77977%0.767SS**  trans-62.7127.5168.826.3-32.9000109.8V184P182-V184 PolarHBondContact O-N 2.86Å
183K42.3Very low48.5Very low194 Ų194159.7 Ų159.784%0.84376%0.763SS**  trans-76.2115.6174.4-102.983.4171.4-165.70109.5K181 K185K181-K183 PolarHBondContact O-N 2.92Å; K183-K185 PolarHBondContact O-N 3.44Å
184V50.4Low49.3Very low142 Ų142156.1 Ų156.186%0.86176%0.761SS**PPolyproline II helixtrans-60.8118160.4-79.10000109.3P182P182-V184 PolarHBondContact O-N 2.86Å
185K64Low50Low191 Ų191156.5 Ų156.583%0.8376%0.761SS**PPolyproline II helixtrans-72.2130.1172.5-67.1177.5179.4176.70108K183 L187K183-K185 PolarHBondContact O-N 3.44Å; K185-L187 PolarHBondContact O-N 3Å
186K63.1Low50.4Low208 Ų208156.6 Ų156.690%0.90477%0.769SS**PPolyproline II helixtrans-61.3118.8174-71.1-173.7175.7-1750108.8K188K186-K188 PolarHBondContact O-N 3.3Å
187L55.7Low51.2Low158 Ų158160.8 Ų160.883%0.82779%0.79SS**PPolyproline II helixtrans-61.1125.4166.6-85.270.4000107.7K185K185-L187 PolarHBondContact O-N 3Å
188K63.2Low51.2Low186 Ų186165.6 Ų165.681%0.80979%0.792SS**PPolyproline II helixtrans-86.7119.7172.5-167.1170.2-177.21790107K186 H190K186-K188 PolarHBondContact O-N 3.3Å; K188-H190 PolarHBondContact O-N 2.81Å
189Y55.3Low51.6Low227 Ų227167.3 Ų167.389%0.8980%0.803SS**  trans-60.3113.5175.6-75.7-91000109.2Q191Y189-Q191 PolarHBondContact O-N 3.15Å
190H69.6Low51.5Low181 Ų181163.4 Ų163.484%0.83879%0.787SS**  trans-74.3115.4162.3-75.9-90.4000107.1K188 Y192K188-H190 PolarHBondContact O-N 2.81Å; H190-Y192 PolarHBondContact O-N 3.35Å
191Q52.2Low50.8Low184 Ų184164.6 Ų164.686%0.8678%0.781SS**PPolyproline II helixtrans-67.1122.1177.4-170.2159.419.100108.9Y189 I193Y189-Q191 PolarHBondContact O-N 3.15Å; Q191-I193 PolarHBondContact O-N 2.74Å
192Y54.7Low50.6Low180 Ų180161.4 Ų161.471%0.70679%0.789SS**PPolyproline II helixtrans-68.5117.6-175-177.2-101.8000110.5H190 P195H190-Y192 PolarHBondContact O-N 3.35Å; Y192-P195 WeakPolarHBondContact OH-CD 3.44Å
193I53.1Low50.4Low149 Ų149160.3 Ų160.376%0.76479%0.79SS**PPolyproline II helixtrans-90.1122.2168.2-60.6173.6000106.4Q191Q191-I193 PolarHBondContact O-N 2.74Å
194P52.4Low50.7Low90 Ų90155.6 Ų155.658%0.58478%0.779SS**PPolyproline II helixtrans-57.1135.1-178.9-27.535.9000112.6D196P194-D196 PolarHBondContact O-N 3.22Å
195P51.1Low51Low105 Ų105154 Ų15468%0.68277%0.772SS**SBendtrans-80.944.6-175.335.2-38.5000112.5Y192Y192-P195 WeakPolarHBondContact OH-CD 3.44Å
196D49.5Very low50.4Low151 Ų151150.5 Ų150.581%0.80776%0.76SS**  trans-11738.2-168.4-148.86.8000112.1P194P194-D196 PolarHBondContact O-N 3.22Å
197Q50.6Low50.5Low183 Ų183146.6 Ų146.686%0.85575%0.749SS**SBendtrans-154.135.2179-146.5166.175.800114.5
198K39Very low51.1Low201 Ų201142.5 Ų142.587%0.87473%0.733SS**  trans-135.372.3172.6-69.2-64.8179.8-177.20111.6D200K198-D200 PolarHBondContact O-N 3.38Å
199Q44.3Very low51.7Low195 Ų195137.9 Ų137.991%0.91172%0.724SS**  trans-76.9110.9171173.7-173.3-17.700110.6
200D33.5Very low53Low94 Ų94134.5 Ų134.550%0.50371%0.711SS.*  176159.8123.3-165.216.5000111.1K198K198-D200 PolarHBondContact O-N 3.38Å
201R35.2Very low53.9Low176 Ų176128.2 Ų128.266%0.66469%0.691SS**SBendtrans56.392.6169.1-57.3-46.6-171.1-117.67.4118.4
202G37.1Very low55.6Low75 Ų75125 Ų12577%0.77367%0.674SS**  trans88.573.5130.900000117.2
203A42.9Very low57.5Low96 Ų96120.1 Ų120.179%0.79366%0.659SS**  trans-61139.2150.100000109.2
204P48Very low59.4Low95 Ų95117.5 Ų117.562%0.61765%0.646SS**  trans-64148.7174.427.4-34.2000110.5M206P204-M206 PolarHBondContact O-N 3.17Å
205P56.3Low61.3Low110 Ų110118.9 Ų118.971%0.71465%0.645SS**  trans-59.3103.8166.8-19.432.1000109D207P205-D207 PolarHBondContact O-N 3.38Å
206M52.3Low63.4Low117 Ų117120.1 Ų120.158%0.57664%0.641SS**  trans-82.660.4-171.4-105.2-58.2-54.400111.5P204P204-M206 PolarHBondContact O-N 3.17Å
207D64.3Low65.5Low126 Ų126118.8 Ų118.867%0.67463%0.631SS**  trans-80.3153.7-164.1-78.4-33.8000115.2P205 S209P205-D207 PolarHBondContact O-N 3.38Å; D207-S209 PolarHBondContact O-N 3.44Å
208S68.7Low67.5Low72 Ų72116.9 Ų116.950%0.50362%0.622SS.*SBendtrans75.3-42.3157.7-1540000120.2K212S208-K212 WeakPolarHBondContact O-CD 3.49Å; S208-K212 WeakPolarHBondContact O-CE 3.39Å; S208-K212 WeakPolarHBondContact O-CG 3.49Å; S208-K212 PolarHBondContact O-NZ 3.31Å; S208-K212 PolarHBondContact OG-NZ 3.44Å
209S76.5Confident70.2Confident89 Ų89112.8 Ų112.862%0.62261%0.608SS**SBendtrans-99.3-78.4-173.665.80000113.9D207 A211 K212 I213D207-S209 PolarHBondContact O-N 3.44Å; S209-A211 VanDerWaalsContact C-N 3.32Å; S209-A211 PolarHBondContact O-N 2.99Å; S209-K212 PolarHBondContact O-N 3.36Å; S209-I213 PolarHBondContact O-N 3.44Å; S209-I213 VanDerWaalsContact O-N 3.09Å
210Y80.9Confident72.6Confident155 Ų155110 Ų11061%0.60859%0.594SS**Hα-helixtrans-63.8-36.8-176.3-171.1-102.7000112.3K212 I213 L214Y210-K212 VanDerWaalsContact C-N 3.28Å; Y210-K212 PolarHBondContact O-N 2.92Å; Y210-I213 HydrophobicContact CD2-CG2 4.01Å; Y210-I213 HydrophobicContact CE2-CG2 4.35Å; Y210-I213 WeakPolarHBondContact O-CG2 3.43Å; Y210-I213 PolarHBondContact O-N 3.01Å; Y210-L214 WeakPolarHBondContact O-CB 3.49Å; Y210-L214 PolarHBondContact O-N 3.32Å
211A88.3Confident75.6Confident50 Ų50110.1 Ų110.141%0.41359%0.594SS.*Hα-helixtrans-57.8-39172.700000112.5S209 Q215S209-A211 VanDerWaalsContact C-N 3.32Å; S209-A211 PolarHBondContact O-N 2.99Å; A211-Q215 VanDerWaalsContact O-CB 3.31Å; A211-Q215 WeakPolarHBondContact O-CB 3.43Å; A211-Q215 PolarHBondContact O-N 3.14Å
212K89.3Confident78.3Confident115 Ų115107.6 Ų107.650%0.559%0.589SS.*Hα-helixtrans-74.5-33.9176.5-69.8-172.7-164.9139.60113S208 S209 Y210 L214 Q215 Q216S208-K212 WeakPolarHBondContact O-CD 3.49Å; S208-K212 WeakPolarHBondContact O-CE 3.39Å; S208-K212 WeakPolarHBondContact O-CG 3.49Å; S208-K212 PolarHBondContact O-NZ 3.31Å; S208-K212 PolarHBondContact OG-NZ 3.44Å; S209-K212 PolarHBondContact O-N 3.36Å; Y210-K212 VanDerWaalsContact C-N 3.28Å; Y210-K212 PolarHBondContact O-N 2.92Å; K212-L214 VanDerWaalsContact C-N 3.32Å; K212-Q215 PolarHBondContact O-N 3.44Å; K212-Q216 VanDerWaalsContact O-CB 3.25Å; K212-Q216 WeakPolarHBondContact O-CB 3.45Å; K212-Q216 PolarHBondContact O-N 2.9Å
213I93.9Very high80.9Confident79 Ų79109.5 Ų109.541%0.40558%0.582SS.*Hα-helixtrans-69.6-33.4175.8-139.571000111.6S209 Y210 Q217S209-I213 PolarHBondContact O-N 3.44Å; S209-I213 VanDerWaalsContact O-N 3.09Å; Y210-I213 HydrophobicContact CD2-CG2 4.01Å; Y210-I213 HydrophobicContact CE2-CG2 4.35Å; Y210-I213 WeakPolarHBondContact O-CG2 3.43Å; Y210-I213 PolarHBondContact O-N 3.01Å; I213-Q217 PolarHBondContact O-N 3.31Å
214L94.2Very high83.2Confident94 Ų94110.1 Ų110.149%0.49257%0.568SS.*Hα-helixtrans-70.6-45173.1-170.664.5000111.2Y210 K212 Q216 Q217 Q218Y210-L214 WeakPolarHBondContact O-CB 3.49Å; Y210-L214 PolarHBondContact O-N 3.32Å; K212-L214 VanDerWaalsContact C-N 3.32Å; L214-Q216 VanDerWaalsContact C-N 3.33Å; L214-Q216 PolarHBondContact O-N 3.3Å; L214-Q217 PolarHBondContact O-N 2.55Å; L214-Q218 WeakPolarHBondContact O-CB 3.28Å; L214-Q218 PolarHBondContact O-N 3.28Å
215Q92.4Very high85.3Confident118 Ų118109 Ų10955%0.55156%0.556SS**Hα-helixtrans-59-42173.1-173.3-177.23200111.9A211 K212 Q218 L219A211-Q215 VanDerWaalsContact O-CB 3.31Å; A211-Q215 WeakPolarHBondContact O-CB 3.43Å; A211-Q215 PolarHBondContact O-N 3.14Å; K212-Q215 PolarHBondContact O-N 3.44Å; Q215-Q218 PolarHBondContact O-N 3.37Å; Q215-L219 HydrophobicContact CG-CD1 3.97Å; Q215-L219 VanDerWaalsContact O-CD1 3.28Å; Q215-L219 WeakPolarHBondContact O-CD1 3.21Å; Q215-L219 PolarHBondContact O-N 3.14Å
216Q93.8Very high86.8Confident131 Ų131108.6 Ų108.661%0.61255%0.547SS*.Hα-helixtrans-64.6-43.8177.4-178.9176.285.200111.9K212 L214 Q218 L219 F220K212-Q216 VanDerWaalsContact O-CB 3.25Å; K212-Q216 WeakPolarHBondContact O-CB 3.45Å; K212-Q216 PolarHBondContact O-N 2.9Å; L214-Q216 VanDerWaalsContact C-N 3.33Å; L214-Q216 PolarHBondContact O-N 3.3Å; Q216-Q218 VanDerWaalsContact C-N 3.3Å; Q216-Q218 PolarHBondContact O-N 3.46Å; Q216-L219 PolarHBondContact O-N 3.2Å; Q216-F220 WeakPolarHBondContact O-CB 3.39Å; Q216-F220 PolarHBondContact O-N 2.92Å
217Q93.5Very high88.5Confident124 Ų124107.1 Ų107.158%0.57954%0.542SS*.Hα-helixtrans-60.8-39.8172.6-80.5-179.578.800111.9I213 L214 F220 L221I213-Q217 PolarHBondContact O-N 3.31Å; L214-Q217 PolarHBondContact O-N 2.55Å; Q217-F220 PolarHBondContact O-N 2.92Å; Q217-L221 WeakPolarHBondContact O-CB 3.41Å; Q217-L221 PolarHBondContact O-N 3.19Å
218Q94.1Very high89.4Confident143 Ų143107.7 Ų107.767%0.66854%0.54SS*.Hα-helixtrans-68.4-39.5179.1-166.914963.800112.4L214 Q215 Q216 Q222L214-Q218 WeakPolarHBondContact O-CB 3.28Å; L214-Q218 PolarHBondContact O-N 3.28Å; Q215-Q218 PolarHBondContact O-N 3.37Å; Q216-Q218 VanDerWaalsContact C-N 3.3Å; Q216-Q218 PolarHBondContact O-N 3.46Å; Q218-Q222 WeakPolarHBondContact O-CB 3.33Å; Q218-Q222 PolarHBondContact O-N 3.43Å
219L94.4Very high90Very high114 Ų114109.1 Ų109.160%0.59754%0.539SS*.Hα-helixtrans-64.7-41.4170.5-94.881.2000112.4Q215 Q216 Q222 L223Q215-L219 HydrophobicContact CG-CD1 3.97Å; Q215-L219 VanDerWaalsContact O-CD1 3.28Å; Q215-L219 WeakPolarHBondContact O-CD1 3.21Å; Q215-L219 PolarHBondContact O-N 3.14Å; Q216-L219 PolarHBondContact O-N 3.2Å; L219-Q222 PolarHBondContact O-N 2.97Å; L219-L223 WeakPolarHBondContact O-CB 3.39Å; L219-L223 PolarHBondContact O-N 3.33Å
220F95.4Very high89.8Confident138 Ų138109.9 Ų109.961%0.60553%0.533SS*.Hα-helixtrans-61.2-46.3177.4177.5-95.1000111.4Q216 Q217 L223 Q224Q216-F220 WeakPolarHBondContact O-CB 3.39Å; Q216-F220 PolarHBondContact O-N 2.92Å; Q217-F220 PolarHBondContact O-N 2.92Å; F220-L223 PolarHBondContact O-N 3.42Å; F220-Q224 WeakPolarHBondContact O-CB 3.23Å; F220-Q224 PolarHBondContact O-N 3.06Å
221L95.8Very high89Confident95 Ų95108.6 Ų108.650%0.49753%0.532SS..Hα-helixtrans-63.5-41.4176.4-172.365.6000111.6Q217 L223 Q224 I225Q217-L221 WeakPolarHBondContact O-CB 3.41Å; Q217-L221 PolarHBondContact O-N 3.19Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L221-L223 PolarHBondContact O-N 3.49Å; L221-Q224 PolarHBondContact O-N 2.93Å; L221-I225 HydrophobicContact CG-CD1 4.16Å; L221-I225 VanDerWaalsContact O-CG1 3.3Å; L221-I225 WeakPolarHBondContact O-CG1 3.37Å; L221-I225 PolarHBondContact O-N 3.48Å
222Q92.6Very high87.4Confident123 Ų123111.1 Ų111.158%0.57554%0.536SS*.Hα-helixtrans-61.7-39.8176.5-171.662.176.800112.3Q218 L219 L226Q218-Q222 WeakPolarHBondContact O-CB 3.33Å; Q218-Q222 PolarHBondContact O-N 3.43Å; L219-Q222 PolarHBondContact O-N 2.97Å; Q222-L226 WeakPolarHBondContact O-CB 3.31Å; Q222-L226 PolarHBondContact O-N 2.92Å
223L92.1Very high85.7Confident116 Ų116111.9 Ų111.961%0.60754%0.541SS*.Hα-helixtrans-69.2-38.8174.8-177.663000111.9L219 F220 L221 L226 N227L219-L223 WeakPolarHBondContact O-CB 3.39Å; L219-L223 PolarHBondContact O-N 3.33Å; F220-L223 PolarHBondContact O-N 3.42Å; L221-L223 VanDerWaalsContact C-N 3.33Å; L221-L223 PolarHBondContact O-N 3.49Å; L223-L226 PolarHBondContact O-N 3.38Å; L223-N227 WeakPolarHBondContact O-CB 3.3Å; L223-N227 PolarHBondContact O-N 3.47Å
224Q89.7Confident83.7Confident109 Ų109114 Ų11451%0.50955%0.548SS..Hα-helixtrans-63.3-41.1176.4-16817623.400111.7F220 L221 Q228F220-Q224 WeakPolarHBondContact O-CB 3.23Å; F220-Q224 PolarHBondContact O-N 3.06Å; L221-Q224 PolarHBondContact O-N 2.93Å; Q224-Q228 PolarHBondContact O-N 3.49Å; Q224-Q228 VanDerWaalsContact O-N 3.1Å
225I92.3Very high81.5Confident70 Ų70115 Ų11536%0.35955%0.554SS.*Hα-helixtrans-64-45.9173.3-67.1162.5000110.8L221 N227 Q228 Q229L221-I225 HydrophobicContact CG-CD1 4.16Å; L221-I225 VanDerWaalsContact O-CG1 3.3Å; L221-I225 WeakPolarHBondContact O-CG1 3.37Å; L221-I225 PolarHBondContact O-N 3.48Å; I225-N227 PolarHBondContact O-N 3.41Å; I225-Q228 WeakPolarHBondContact O-CB 3.46Å; I225-Q228 PolarHBondContact O-N 3.37Å; I225-Q229 PolarHBondContact O-N 3.41Å
226L88.9Confident79.1Confident102 Ų102117.1 Ų117.153%0.53456%0.559SS.*Hα-helixtrans-64.7-39.9-179.6-175.561.9000112.2Q222 L223 Q228 Q229 Q230Q222-L226 WeakPolarHBondContact O-CB 3.31Å; Q222-L226 PolarHBondContact O-N 2.92Å; L223-L226 PolarHBondContact O-N 3.38Å; L226-Q228 VanDerWaalsContact C-N 3.35Å; L226-Q229 PolarHBondContact O-N 2.97Å; L226-Q230 PolarHBondContact O-N 2.94Å
227N87Confident77Confident87 Ų87118.5 Ų118.547%0.46557%0.565SS.*Hα-helixtrans-66.2-36.7175.8-172-108.3000112L223 I225 Q230 Q231L223-N227 WeakPolarHBondContact O-CB 3.3Å; L223-N227 PolarHBondContact O-N 3.47Å; I225-N227 PolarHBondContact O-N 3.41Å; N227-Q230 PolarHBondContact O-N 3.4Å; N227-Q231 WeakPolarHBondContact O-CG 3.21Å; N227-Q231 PolarHBondContact O-N 2.9Å
228Q84.4Confident74.4Confident137 Ų137116.7 Ų116.764%0.6457%0.571SS**Hα-helixtrans-63.6-41.5171.7-171.4-177.2101.500112Q224 I225 L226 Q231 Q232Q224-Q228 PolarHBondContact O-N 3.49Å; Q224-Q228 VanDerWaalsContact O-N 3.1Å; I225-Q228 WeakPolarHBondContact O-CB 3.46Å; I225-Q228 PolarHBondContact O-N 3.37Å; L226-Q228 VanDerWaalsContact C-N 3.35Å; Q228-Q231 PolarHBondContact O-N 3.49Å; Q228-Q232 PolarHBondContact O-N 2.9Å
229Q79.6Confident72.3Confident102 Ų102116.2 Ų116.248%0.47757%0.572SS.*Hα-helixtrans-65.1-38.3174.4-71-176.11900112.3I225 L226 Q231 Q232 H233I225-Q229 PolarHBondContact O-N 3.41Å; L226-Q229 PolarHBondContact O-N 2.97Å; Q229-Q231 VanDerWaalsContact C-N 3.31Å; Q229-Q231 PolarHBondContact O-N 3.29Å; Q229-Q232 WeakPolarHBondContact O-CB 3.48Å; Q229-Q232 PolarHBondContact O-N 3.26Å; Q229-Q232 VanDerWaalsContact O-N 3.16Å; Q229-H233 PolarHBondContact O-CD2 2.65Å; Q229-H233 PolarHBondContact O-N 2.87Å
230Q72.9Confident69.5Low105 Ų105118.1 Ų118.149%0.49158%0.582SS.*Hα-helixtrans-60.2-40.9176.8-171.2-178.514.800112.1L226 N227 H233 H234L226-Q230 PolarHBondContact O-N 2.94Å; N227-Q230 PolarHBondContact O-N 3.4Å; Q230-H233 PolarHBondContact O-N 3.5Å; Q230-H234 PolarHBondContact O-N 2.69Å; Q230-H234 PolarHBondContact O-ND1 3.5Å
231Q64.1Low66.9Low128 Ų128117.1 Ų117.160%0.59859%0.589SS**Hα-helixtrans-61.8-41.6174.5-69.3-75.78.300112N227 Q228 Q229 N235N227-Q231 WeakPolarHBondContact O-CG 3.21Å; N227-Q231 PolarHBondContact O-N 2.9Å; Q228-Q231 PolarHBondContact O-N 3.49Å; Q229-Q231 VanDerWaalsContact C-N 3.31Å; Q229-Q231 PolarHBondContact O-N 3.29Å; Q231-N235 PolarHBondContact O-N 3.37Å
232Q55.5Low64Low104 Ų104116.8 Ų116.849%0.48660%0.6SS.*Hα-helixtrans-63.6-49.8174.6-64.3-64.7-43.900111.2Q228 Q229 H234 N235 Y236Q228-Q232 PolarHBondContact O-N 2.9Å; Q229-Q232 WeakPolarHBondContact O-CB 3.48Å; Q229-Q232 PolarHBondContact O-N 3.26Å; Q229-Q232 VanDerWaalsContact O-N 3.16Å; Q232-H234 PolarHBondContact O-N 2.99Å; Q232-N235 WeakPolarHBondContact O-CB 3.29Å; Q232-N235 PolarHBondContact O-N 2.97Å; Q232-Y236 VanDerWaalsContact O-CD2 3.25Å; Q232-Y236 WeakPolarHBondContact O-CD2 3.37Å; Q232-Y236 PolarHBondContact O-N 2.88Å
233H53.8Low61.4Low130 Ų130116.6 Ų116.660%0.60261%0.61SS**Hα-helixtrans-63.8-35.5-179-83-78000113.6Q229 Q230 N235 Y236 Q237Q229-H233 PolarHBondContact O-CD2 2.65Å; Q229-H233 PolarHBondContact O-N 2.87Å; Q230-H233 PolarHBondContact O-N 3.5Å; H233-N235 VanDerWaalsContact C-N 3.3Å; H233-N235 PolarHBondContact O-N 3.49Å; H233-Y236 PolarHBondContact O-N 2.94Å; H233-Q237 PolarHBondContact O-N 3.28Å; H233-Q237 VanDerWaalsContact O-N 3.15Å
234H50.8Low58.9Low123 Ų123117.1 Ų117.157%0.56962%0.62SS**Hα-helixtrans-63.5-35172.1-87.762.1000112.5Q230 Q232Q230-H234 PolarHBondContact O-N 2.69Å; Q230-H234 PolarHBondContact O-ND1 3.5Å; Q232-H234 PolarHBondContact O-N 2.99Å
235N47.6Very low56.1Low115 Ų115121.9 Ų121.962%0.61564%0.639SS**Hα-helixtrans-69.3-38.5178.4-159.8-107000112.2Q231 Q232 H233Q231-N235 PolarHBondContact O-N 3.37Å; Q232-N235 WeakPolarHBondContact O-CB 3.29Å; Q232-N235 PolarHBondContact O-N 2.97Å; H233-N235 VanDerWaalsContact C-N 3.3Å; H233-N235 PolarHBondContact O-N 3.49Å
236Y43.4Very low53.2Low164 Ų164124.3 Ų124.364%0.64366%0.662SS**Hα-helixtrans-76.2-29.9179.3-74.3-71.5000114.6Q232 H233 A238 I239Q232-Y236 VanDerWaalsContact O-CD2 3.25Å; Q232-Y236 WeakPolarHBondContact O-CD2 3.37Å; Q232-Y236 PolarHBondContact O-N 2.88Å; H233-Y236 PolarHBondContact O-N 2.94Å; Y236-A238 PolarHBondContact O-N 3.34Å; Y236-I239 PolarHBondContact O-N 2.85Å
237Q48.3Very low50.5Low159 Ų159124.5 Ų124.574%0.74368%0.679SS**Hα-helixtrans-68.9-17.5177.3-98.5-172.5-8.100114.1H233 I239H233-Q237 PolarHBondContact O-N 3.28Å; H233-Q237 VanDerWaalsContact O-N 3.15Å; Q237-I239 PolarHBondContact O-N 3.46Å
238A40.8Very low47.8Very low86 Ų86124.1 Ų124.171%0.71170%0.695SS**THydrogen-bonded Turntrans-71.2-7.4175.100000114.1Y236Y236-A238 PolarHBondContact O-N 3.34Å
239I49.4Very low45.2Very low133 Ų133126.8 Ų126.868%0.68271%0.707SS**  trans-124.371.3-177.2-46.4179.1000110.1Y236 Q237Y236-I239 PolarHBondContact O-N 2.85Å; Q237-I239 PolarHBondContact O-N 3.46Å
240L34.9Very low42.9Very low155 Ų155126.2 Ų126.281%0.81272%0.72SS**PPolyproline II helixtrans-69.8128166.3-91.2169.4000110.3
241P41.7Very low40.8Very low116 Ų116129.6 Ų129.675%0.75374%0.741SS**PPolyproline II helixtrans-67.2139.1175.7-20.433000112.3
242A33.4Very low39.1Very low89 Ų89127.1 Ų127.174%0.73675%0.749SS**PPolyproline II helixtrans-66.8145.4168.800000111
243P39.1Very low37.8Very low119 Ų119127.9 Ų127.977%0.77377%0.766SS**PPolyproline II helixtrans-69.1141.4-175.727.8-35.1000112.1
244P38.4Very low36.6Very low127 Ų127127.7 Ų127.783%0.82578%0.78SS**PPolyproline II helixtrans-72141.3-179.429.9-34.8000111.7
245K31.1Very low35.6Very low209 Ų209125.1 Ų125.191%0.90979%0.786SS**  trans-116.3150.5159.4-78.2-171.4174.2-178.90110.2
246S31.3Very low34.9Very low120 Ų120126.3 Ų126.384%0.83980%0.797SS**  trans-75160.7-163.350.30000114.5
247A32.1Very low35.6Very low107 Ų107123.8 Ų123.888%0.88480%0.801SS**  trans-63.5156.9170.400000112.8
248G30.7Very low35.6Very low78 Ų78121.4 Ų121.480%0.80480%0.8SS**  trans-176.5136.6174.900000110.2
249E30.1Very low35.1Very low193 Ų193122.7 Ų122.790%0.90280%0.798SS**  trans-89.1171.6-164.3-64.2159.984.900115.2
250A30.8Very low34.3Very low90 Ų90127 Ų12774%0.74481%0.806SS**  trans85.7136.3147.600000121.7
251L29.9Very low34.2Very low177 Ų177124.5 Ų124.593%0.92780%0.801SS**  trans31.6138.7147-82.365.4000121.3
252G27.9Very low33.6Very low75 Ų75127.1 Ų127.177%0.77381%0.808SS**  trans155.469.3142.800000121.2
253S29.3Very low33.4Very low121 Ų121128.2 Ų128.285%0.84681%0.81SS**  trans30.7127.2136-157.40000123.3
254S28.7Very low33Very low126 Ų126128.9 Ų128.988%0.88181%0.813SS**  trans77.8144.8141-159.40000121.3
255G29.4Very low32.5Very low68 Ų68128.3 Ų128.370%0.70181%0.807SS**  trans146.580.4170.200000114.9
256T31.8Very low32.5Very low140 Ų140125.1 Ų125.186%0.85980%0.8SS**  trans-120.1-177.2174.565.90000111.6
257P59.2Low32.7Very low111 Ų111124.9 Ų124.972%0.72180%0.798SS**  -103.4-164.2-113.740-22.1000112.9
258P48.2Very low32.6Very low110 Ų110124.6 Ų124.671%0.71479%0.79SS**  -161.6150.684.942.6-21.1000120.5
259V30.5Very low32.8Very low112 Ų112125.6 Ų125.668%0.67978%0.784SS**  trans48.1123.1141.2-51.30000125.5
260R32.5Very low32.9Very low225 Ų225121.2 Ų121.285%0.84978%0.775SS**  -177.2125.6112.2-93.4170.7-178.690.7-6107.9
261S31.3Very low33Very low101 Ų101122.6 Ų122.671%0.70678%0.779SS**  73.4128.560-56.10000112.3
262L30.2Very low32.8Very low172 Ų172118 Ų11890%0.90178%0.775SS**  cis-136179.520.5-71.3169.7000114.2
263S30Very low32.9Very low112 Ų112119.2 Ų119.278%0.78378%0.777SS**  trans-136.1163.5-172.715.70000113.1
264T29.1Very low33.4Very low133 Ų133119.5 Ų119.582%0.81678%0.776SS**  trans-178.8146.6158.326.90000109.3
265T29.4Very low33.5Very low115 Ų115116.7 Ų116.771%0.70677%0.767SS**  cis-159.9158-11.73.70000112.1
266N30.7Very low34.2Very low142 Ų142119.1 Ų119.176%0.75977%0.771SS**  trans68.2129163.7-63.57.6000118.5
267S34.4Very low34Very low115 Ų115118.9 Ų118.980%0.80477%0.773SS**  cis89.4140.928.6-55.90000113.6
268S30.6Very low32.4Very low101 Ų101117 Ų11771%0.70677%0.774SS**  cis-155.6160.517.757.90000116.3
269S34.3Very low31.5Very low99 Ų99120.2 Ų120.269%0.69278%0.784SS**  trans63.5145.1134.760.60000123
270S32.5Very low31.8Very low100 Ų100119.4 Ų119.470%0.69979%0.789SS**  cis-178.1153.7-12.549.10000113.9
271S32.2Very low31.6Very low119 Ų119119 Ų11983%0.83279%0.788SS**  trans61.4149.6150.8570000120.7
272G26.2Very low31.4Very low82 Ų82122.5 Ų122.585%0.84579%0.793SS**  cis-173.4-173.52.400000113.8
273A30Very low31.3Very low99 Ų99122 Ų12282%0.81879%0.791SS**  trans-123.2-177.8-177.800000110.6
274P40.6Very low31.4Very low128 Ų128121.1 Ų121.183%0.83179%0.785SS**  cis-134.1-158.76.241.7-20.4000115
275G30.1Very low31.4Very low66 Ų66121.5 Ų121.568%0.6879%0.787SS**  trans-80.1-163.6179.600000115.8
276P44.3Very low31.6Very low120 Ų120120.6 Ų120.678%0.77979%0.785SS**  cis-151.8178.942.144.8-24.7000119.8
277C27.4Very low31.8Very low134 Ų134120.9 Ų120.991%0.90579%0.786SS**  trans56.1130.9145.6-71.60000125.5
278G25.5Very low32.4Very low72 Ų72122.1 Ų122.174%0.74279%0.789SS**  trans108.7135.7152.700000115.1
279L30.5Very low32.5Very low178 Ų178120.5 Ų120.593%0.93279%0.788SS**  cis-147.8177.54.1-77.3172.3000111.2
280A35.6Very low32.7Very low95 Ų95125.3 Ų125.379%0.78580%0.796SS**  trans76.469.3159.900000120.6
281R28.3Very low33.4Very low216 Ų216123.2 Ų123.282%0.81578%0.781SS**  51.787.9119-155.1175.7-163-84.43.1117.7
282Q28.3Very low34.7Very low174 Ų174120.1 Ų120.181%0.81377%0.767SS**  62.7105.786.4-63.6168.5-24.800116.3
283N28.3Very low36.6Very low163 Ų163120.9 Ų120.987%0.87277%0.766SS**  -144.6156.8117.6-165.419.7000109.6
284S32Very low38.9Very low92 Ų92116.7 Ų116.764%0.64373%0.729SS**  trans-110.5146.4-172.655.20000113.1
285T27.7Very low40.4Very low141 Ų141113.9 Ų113.987%0.86571%0.711SS**  trans-157.9123.7134.514.10000111.3
286S33.9Very low42.3Very low96 Ų96115.8 Ų115.867%0.67172%0.72SS**  trans-74.4164.7142.650.20000109
287L35.2Very low44Very low149 Ų149113.8 Ų113.878%0.7870%0.703SS**  166.7151.8118.3-89.3171.7000112.1G289L287-G289 PolarHBondContact O-N 2.96Å
288T47.6Very low46.9Very low141 Ų141107.5 Ų107.587%0.86566%0.661SS**  trans-58.6109.9150.247.30000108.9
289G31.7Very low49.9Very low66 Ų66107.9 Ų107.968%0.6865%0.646SS**  trans-149162.2-172.700000113.3L287L287-G289 PolarHBondContact O-N 2.96Å
290K40Very low52.8Low200 Ų200105.3 Ų105.387%0.8763%0.633SS**  trans-57.9145.1179.7-65.2176.6177.5179.50111.1G292K290-G292 PolarHBondContact O-N 3.34Å
291P47Very low55.3Low57 Ų57102.3 Ų102.337%0.3760%0.603SS.*  trans-60.8135.2173.927-34.5000110.4R313P291-R313 HydrophobicContact CB-CG 4.04Å; P291-R313 HydrophobicContact CG-CG 4.24Å
292G59.1Low58.4Low53 Ų5398.8 Ų98.855%0.54659%0.594SS.*  trans-68.2-179.2-179.500000113.6K290 R313K290-G292 PolarHBondContact O-N 3.34Å; G292-R313 PolarHBondContact O-NH1 3.45Å; G292-R313 PolarHBondContact O-NH2 2.75Å
293A66.5Low61.5Low99 Ų9993.6 Ų93.682%0.81857%0.574SS**PPolyproline II helixtrans-64.7138.7171.100000110.6
294L77.4Confident64.6Low10 Ų1089.4 Ų89.45%0.05256%0.561CS.*PPolyproline II helixtrans-72.8147.6174-76.8166.4000110.9L298 E309 R313 L328 Q332L294-L298 HydrophobicContact CB-CD2 4.28Å; L294-L298 HydrophobicContact CD1-CD2 4.42Å; L294-L298 HydrophobicContact CD2-CD2 4.12Å; L294-E309 HydrophobicContact CD2-CG 3.34Å; L294-R313 VanDerWaalsContact CG-CZ 3.49Å; L294-L328 HydrophobicContact CD1-CB 3.91Å; L294-L328 HydrophobicContact CD1-CD2 4.24Å; L294-L328 VanDerWaalsContact CD1-O 3.3Å; L294-L328 WeakPolarHBondContact CD1-O 3.48Å; L294-L328 HydrophobicContact CD2-CD2 4.34Å; L294-Q332 HydrophobicContact CD1-CB 4.12Å; L294-Q332 PolarHBondContact O-NE2 3.26Å
295P72.8Confident67.6Low70 Ų7088.7 Ų88.746%0.45555%0.548SS..PPolyproline II helixtrans-63.7136.8168.629.4-34.1000109.8N297 M301P295-N297 PolarHBondContact O-N 2.94Å; P295-N297 VanDerWaalsContact O-N 3.08Å; P295-M301 HydrophobicContact CG-SD 3.89Å
296A70.4Confident70.8Confident105 Ų10582 Ų8287%0.86851%0.507SS*.SBendtrans-64.6-15.2-176.500000114.2
297N79.8Confident73.6Confident78 Ų7881.7 Ų81.742%0.41749%0.494SS..  trans-106.888.8172.6-172-18.7000109.7P295 D299 D300P295-N297 PolarHBondContact O-N 2.94Å; P295-N297 VanDerWaalsContact O-N 3.08Å; N297-D299 PolarHBondContact OD1-N 3Å; N297-D300 PolarHBondContact ND2-OD2 3.48Å; N297-D300 PolarHBondContact OD1-N 3.36Å
298L87.1Confident76.5Confident3 Ų380.5 Ų80.52%0.01648%0.484CS..  trans-80.4-22.9171.9-62.7173.4000111.7L294 M301 I325 L328 R329L294-L298 HydrophobicContact CB-CD2 4.28Å; L294-L298 HydrophobicContact CD1-CD2 4.42Å; L294-L298 HydrophobicContact CD2-CD2 4.12Å; L298-M301 HydrophobicContact CD2-SD 3.86Å; L298-M301 WeakPolarHBondContact O-CB 3.39Å; L298-M301 PolarHBondContact O-N 3.38Å; L298-I325 HydrophobicContact CB-CB 4.49Å; L298-I325 HydrophobicContact CB-CG1 4.27Å; L298-I325 HydrophobicContact CB-CG2 3.76Å; L298-I325 HydrophobicContact CD1-CG2 4.24Å; L298-L328 HydrophobicContact CD1-CB 3.87Å; L298-L328 HydrophobicContact CD2-CB 4.31Å; L298-L328 HydrophobicContact CD2-CD1 4.23Å; L298-R329 HydrophobicContact CD1-CB 4.08Å; L298-R329 HydrophobicContact CD1-CG 4.43Å
299D89.6Confident78.6Confident79 Ų7975.6 Ų75.642%0.42245%0.451SS..SBendtrans-77-22.5-169.8-61.6-105000112.8N297 K321 I325 R329N297-D299 PolarHBondContact OD1-N 3Å; D299-K321 WeakPolarHBondContact O-CE 3.41Å; D299-K321 PolarHBondContact O-NZ 2.91Å; D299-I325 HydrophobicContact CB-CD1 4.37Å; D299-R329 IonicContact OD1-NH2 2.69Å; D299-R329 PolarHBondContact OD1-NH2 3.44Å; D299-R329 IonicContact OD2-CZ 2.82Å; D299-R329 IonicContact OD2-NH2 3.18Å; D299-R329 PolarHBondContact OD2-NH2 3.09Å
300D89.9Confident81.6Confident125 Ų12572.4 Ų72.467%0.66842%0.419SS*.SBendtrans-81.8-25.7169.9-73.4-23.4000113.5N297N297-D300 PolarHBondContact ND2-OD2 3.48Å; N297-D300 PolarHBondContact OD1-N 3.36Å
301M88.9Confident84.3Confident31 Ų3170.9 Ų70.915%0.15341%0.412CS..SBendtrans-57.2143.8-178-65.2-179.567.900112.4P295 L298 E305 L306 K321P295-M301 HydrophobicContact CG-SD 3.89Å; L298-M301 HydrophobicContact CD2-SD 3.86Å; L298-M301 WeakPolarHBondContact O-CB 3.39Å; L298-M301 PolarHBondContact O-N 3.38Å; M301-E305 WeakPolarHBondContact CA-OE2 3.44Å; M301-E305 HydrophobicContact CB-CB 4.48Å; M301-E305 HydrophobicContact CE-CB 3.76Å; M301-L306 HydrophobicContact CB-CD1 4.43Å; M301-L306 HydrophobicContact CB-CD2 3.89Å; M301-L306 HydrophobicContact CB-CG 3.83Å; M301-L306 HydrophobicContact SD-CD2 4.17Å; M301-K321 WeakPolarHBondContact O-CE 3.26Å; M301-K321 PolarHBondContact O-NZ 3.09Å
302K93.6Very high86.4Confident143 Ų14373.5 Ų73.562%0.62242%0.422SS*.  trans-75.1154.7177.8-61.6-178.4-179.5172.60110.9A304 E305 L306K302-A304 PolarHBondContact O-N 3.49Å; K302-A304 VanDerWaalsContact O-N 3.11Å; K302-E305 HydrophobicContact CB-CG 4.42Å; K302-E305 WeakPolarHBondContact CB-OE1 3.5Å; K302-E305 WeakPolarHBondContact CD-OE1 3.37Å; K302-E305 WeakPolarHBondContact CG-OE1 3.21Å; K302-E305 PolarHBondContact N-OE2 2.92Å; K302-E305 WeakPolarHBondContact O-CB 3.21Å; K302-E305 PolarHBondContact O-N 2.86Å; K302-L306 WeakPolarHBondContact O-CG 3.08Å; K302-L306 PolarHBondContact O-N 2.94Å
303V92.4Very high87.9Confident65 Ų6571.3 Ų71.339%0.39440%0.398SS..Hα-helixtrans-56.8-30.3179.8175.30000112.6K307 K321 L324V303-K307 HydrophobicContact CG1-CD 3.93Å; V303-K307 WeakPolarHBondContact O-CB 3.2Å; V303-K307 WeakPolarHBondContact O-CD 3.39Å; V303-K307 WeakPolarHBondContact O-CG 3.39Å; V303-K307 PolarHBondContact O-N 2.97Å; V303-K307 VanDerWaalsContact O-N 3.13Å; V303-K321 HydrophobicContact CG2-CB 3.84Å; V303-K321 HydrophobicContact CG2-CD 4.13Å; V303-K321 HydrophobicContact CG2-CG 4.13Å; V303-L324 HydrophobicContact CG1-CD1 3.89Å
304A94.1Very high88.9Confident74 Ų7472.2 Ų72.261%0.61240%0.398SS*.Hα-helixtrans-66.8-48.7173.300000112.3K302 K307 Q308K302-A304 PolarHBondContact O-N 3.49Å; K302-A304 VanDerWaalsContact O-N 3.11Å; A304-K307 PolarHBondContact O-N 3.5Å; A304-Q308 WeakPolarHBondContact O-CB 3.39Å; A304-Q308 PolarHBondContact O-N 3.03Å
305E94.1Very high89.5Confident77 Ų7773.8 Ų73.836%0.3641%0.406SS..Hα-helixtrans-63.4-45.4179-63.2145.9-151.800110.8M301 K302 K307 Q308 E309M301-E305 WeakPolarHBondContact CA-OE2 3.44Å; M301-E305 HydrophobicContact CB-CB 4.48Å; M301-E305 HydrophobicContact CE-CB 3.76Å; K302-E305 HydrophobicContact CB-CG 4.42Å; K302-E305 WeakPolarHBondContact CB-OE1 3.5Å; K302-E305 WeakPolarHBondContact CD-OE1 3.37Å; K302-E305 WeakPolarHBondContact CG-OE1 3.21Å; K302-E305 PolarHBondContact N-OE2 2.92Å; K302-E305 WeakPolarHBondContact O-CB 3.21Å; K302-E305 PolarHBondContact O-N 2.86Å; E305-K307 VanDerWaalsContact C-N 3.32Å; E305-K307 PolarHBondContact O-N 3.2Å; E305-Q308 WeakPolarHBondContact O-CB 3.2Å; E305-Q308 PolarHBondContact O-N 2.85Å; E305-E309 WeakPolarHBondContact O-CB 3.41Å; E305-E309 PolarHBondContact O-N 2.95Å
306L94.8Very high90.5Very high0 Ų074.1 Ų74.10%041%0.408CS..Hα-helixtrans-57.7-42.6174.8-68.9165.5000111.9M301 K302 E309 L310 K321 L324 I325 L328M301-L306 HydrophobicContact CB-CD1 4.43Å; M301-L306 HydrophobicContact CB-CD2 3.89Å; M301-L306 HydrophobicContact CB-CG 3.83Å; M301-L306 HydrophobicContact SD-CD2 4.17Å; K302-L306 WeakPolarHBondContact O-CG 3.08Å; K302-L306 PolarHBondContact O-N 2.94Å; L306-E309 PolarHBondContact O-N 3.19Å; L306-L310 WeakPolarHBondContact O-CB 3.46Å; L306-L310 WeakPolarHBondContact O-CD1 3.49Å; L306-L310 VanDerWaalsContact O-CG 3.23Å; L306-L310 WeakPolarHBondContact O-CG 3.43Å; L306-L310 PolarHBondContact O-N 3.27Å; L306-K321 HydrophobicContact CD1-CD 4.26Å; L306-K321 HydrophobicContact CD1-CG 3.81Å; L306-L324 HydrophobicContact CB-CB 4.23Å; L306-I325 HydrophobicContact CD1-CD1 4.23Å; L306-I325 HydrophobicContact CD1-CG1 3.75Å; L306-I325 HydrophobicContact CD2-CG1 3.74Å; L306-I325 HydrophobicContact CG-CG1 4.42Å; L306-L328 HydrophobicContact CD2-CD1 3.61Å
307K94.3Very high91.6Very high91 Ų9171.9 Ų71.940%0.39638%0.384SS..Hα-helixtrans-71.7-33.5177.2-73.6173.162.9166.50113.1V303 A304 E305 K311 V317 L324V303-K307 HydrophobicContact CG1-CD 3.93Å; V303-K307 WeakPolarHBondContact O-CB 3.2Å; V303-K307 WeakPolarHBondContact O-CD 3.39Å; V303-K307 WeakPolarHBondContact O-CG 3.39Å; V303-K307 PolarHBondContact O-N 2.97Å; V303-K307 VanDerWaalsContact O-N 3.13Å; A304-K307 PolarHBondContact O-N 3.5Å; E305-K307 VanDerWaalsContact C-N 3.32Å; E305-K307 PolarHBondContact O-N 3.2Å; K307-K311 WeakPolarHBondContact O-CB 3.5Å; K307-K311 PolarHBondContact O-N 2.92Å; K307-V317 HydrophobicContact CB-CB 4.44Å; K307-V317 WeakPolarHBondContact CE-O 3.41Å; K307-V317 HydrophobicContact CG-CB 4.38Å; K307-V317 WeakPolarHBondContact O-CG1 3.31Å; K307-L324 HydrophobicContact CD-CD1 4.19Å; K307-L324 HydrophobicContact CG-CD1 3.89Å; K307-L324 HydrophobicContact CG-CD2 3.86Å
308Q95.2Very high92.1Very high123 Ų12372.2 Ų72.258%0.57539%0.392SS*.Hα-helixtrans-63.9-45.7171.3174.1177.2-9.100110.6A304 E305 K311 L312A304-Q308 WeakPolarHBondContact O-CB 3.39Å; A304-Q308 PolarHBondContact O-N 3.03Å; E305-Q308 WeakPolarHBondContact O-CB 3.2Å; E305-Q308 PolarHBondContact O-N 2.85Å; Q308-K311 WeakPolarHBondContact O-CB 3.36Å; Q308-K311 PolarHBondContact O-N 2.66Å; Q308-K311 VanDerWaalsContact O-N 3.15Å; Q308-L312 HydrophobicContact CG-CD1 4.37Å; Q308-L312 WeakPolarHBondContact O-CG 3.47Å; Q308-L312 PolarHBondContact O-N 2.78Å
309E92.9Very high92.3Very high38 Ų3874.3 Ų74.318%0.17842%0.415CS..Hα-helixtrans-68.6-39.6-177.6-165.857.8-146.400112.3L294 E305 L306 K311 L312 R313 L328L294-E309 HydrophobicContact CD2-CG 3.34Å; E305-E309 WeakPolarHBondContact O-CB 3.41Å; E305-E309 PolarHBondContact O-N 2.95Å; L306-E309 PolarHBondContact O-N 3.19Å; E309-K311 VanDerWaalsContact C-N 3.34Å; E309-L312 PolarHBondContact O-N 2.85Å; E309-R313 WeakPolarHBondContact O-CB 3.42Å; E309-R313 WeakPolarHBondContact O-CD 3.47Å; E309-R313 WeakPolarHBondContact O-CG 3.26Å; E309-R313 PolarHBondContact O-N 3.31Å; E309-R313 VanDerWaalsContact O-N 3.12Å; E309-R313 IonicContact OE1-CZ 3.96Å; E309-R313 IonicContact OE1-NE 2.81Å; E309-R313 PolarHBondContact OE1-NE 3.27Å; E309-R313 IonicContact OE1-NH2 3.62Å; E309-R313 PolarHBondContact OE1-NH2 2.8Å; E309-L328 HydrophobicContact CB-CD1 4.06Å; E309-L328 HydrophobicContact CB-CD2 4.23Å; E309-L328 HydrophobicContact CG-CD1 4.11Å; E309-L328 HydrophobicContact CG-CD2 3.89Å
310L94.6Very high92.6Very high0 Ų073.9 Ų73.90%042%0.415CS..Hα-helixtrans-60.3-42.6169-73.3161.7000111.4L306 R313 S314 L315 V317 L324 R327 L328L306-L310 WeakPolarHBondContact O-CB 3.46Å; L306-L310 WeakPolarHBondContact O-CD1 3.49Å; L306-L310 VanDerWaalsContact O-CG 3.23Å; L306-L310 WeakPolarHBondContact O-CG 3.43Å; L306-L310 PolarHBondContact O-N 3.27Å; L310-R313 CarbonylContact O-C 3.44Å; L310-R313 PolarHBondContact O-N 3.04Å; L310-R313 VanDerWaalsContact O-N 3.13Å; L310-S314 PolarHBondContact O-N 3.06Å; L310-S314 VanDerWaalsContact O-N 3.11Å; L310-L315 HydrophobicContact CB-CB 4.18Å; L310-L315 HydrophobicContact CD2-CB 3.53Å; L310-L315 HydrophobicContact CD2-CD1 3.71Å; L310-L315 HydrophobicContact CD2-CG 4.27Å; L310-L315 HydrophobicContact CG-CB 4.48Å; L310-L315 PolarHBondContact O-N 3.49Å; L310-V317 HydrophobicContact CB-CG1 3.9Å; L310-L324 HydrophobicContact CD1-CB 3.81Å; L310-L324 HydrophobicContact CD1-CD2 3.28Å; L310-L324 HydrophobicContact CD1-CG 4.14Å; L310-R327 HydrophobicContact CD2-CB 3.63Å; L310-L328 HydrophobicContact CD2-CD2 3.69Å; L310-L328 HydrophobicContact CD2-CG 3.73Å; L310-L328 HydrophobicContact CG-CD1 4.28Å; L310-L328 HydrophobicContact CG-CD2 3.8Å; L310-L328 HydrophobicContact CG-CG 3.81Å
311K95.3Very high92.8Very high167 Ų16771.5 Ų71.573%0.72640%0.398SS*.Hα-helixtrans-63.5-41.1176.9-172.2178.4178.5-176.90112.1K307 Q308 E309 R313 S314 V317K307-K311 WeakPolarHBondContact O-CB 3.5Å; K307-K311 PolarHBondContact O-N 2.92Å; Q308-K311 WeakPolarHBondContact O-CB 3.36Å; Q308-K311 PolarHBondContact O-N 2.66Å; Q308-K311 VanDerWaalsContact O-N 3.15Å; E309-K311 VanDerWaalsContact C-N 3.34Å; K311-R313 PolarHBondContact O-N 2.88Å; K311-S314 PolarHBondContact O-N 2.92Å; K311-V317 HydrophobicContact CB-CG1 4.16Å
312L92.1Very high93.1Very high113 Ų11374.6 Ų74.659%0.59242%0.419SS*.Hα-helixtrans-63.3-27173.9-71.3173000112.8Q308 E309Q308-L312 HydrophobicContact CG-CD1 4.37Å; Q308-L312 WeakPolarHBondContact O-CG 3.47Å; Q308-L312 PolarHBondContact O-N 2.78Å; E309-L312 PolarHBondContact O-N 2.85Å
313R89Confident93.1Very high7 Ų771.3 Ų71.33%0.02641%0.406CS..THydrogen-bonded Turntrans-976.8179.6-66.8167.6-172-80.9-14.9113.6P291 G292 L294 E309 L310 K311 L315 Y331P291-R313 HydrophobicContact CB-CG 4.04Å; P291-R313 HydrophobicContact CG-CG 4.24Å; G292-R313 PolarHBondContact O-NH1 3.45Å; G292-R313 PolarHBondContact O-NH2 2.75Å; L294-R313 VanDerWaalsContact CG-CZ 3.49Å; E309-R313 WeakPolarHBondContact O-CB 3.42Å; E309-R313 WeakPolarHBondContact O-CD 3.47Å; E309-R313 WeakPolarHBondContact O-CG 3.26Å; E309-R313 PolarHBondContact O-N 3.31Å; E309-R313 VanDerWaalsContact O-N 3.12Å; E309-R313 IonicContact OE1-CZ 3.96Å; E309-R313 IonicContact OE1-NE 2.81Å; E309-R313 PolarHBondContact OE1-NE 3.27Å; E309-R313 IonicContact OE1-NH2 3.62Å; E309-R313 PolarHBondContact OE1-NH2 2.8Å; L310-R313 CarbonylContact O-C 3.44Å; L310-R313 PolarHBondContact O-N 3.04Å; L310-R313 VanDerWaalsContact O-N 3.13Å; K311-R313 PolarHBondContact O-N 2.88Å; R313-L315 HydrophobicContact CB-CD1 3.79Å; R313-L315 HydrophobicContact CB-CG 4.04Å; R313-L315 PolarHBondContact O-N 2.92Å; R313-Y331 HydrophobicContact CB-CD1 4.2Å; R313-Y331 HydrophobicContact CB-CE1 3.71Å; R313-Y331 HydrophobicContact CG-CD1 4.04Å; R313-Y331 HydrophobicContact CG-CE1 3.51Å
314S87.6Confident93.3Very high118 Ų11868.2 Ų68.283%0.82539%0.387SS*.THydrogen-bonded Turntrans56.726.1-174.858.50000115.1L310 K311L310-S314 PolarHBondContact O-N 3.06Å; L310-S314 VanDerWaalsContact O-N 3.11Å; K311-S314 PolarHBondContact O-N 2.92Å
315L91.6Very high93.3Very high42 Ų4264.9 Ų64.922%0.2236%0.359CS..  trans-92.2155.6178.6-64.5167.4000111.4L310 R313 L328 Y331L310-L315 HydrophobicContact CB-CB 4.18Å; L310-L315 HydrophobicContact CD2-CB 3.53Å; L310-L315 HydrophobicContact CD2-CD1 3.71Å; L310-L315 HydrophobicContact CD2-CG 4.27Å; L310-L315 HydrophobicContact CG-CB 4.48Å; L310-L315 PolarHBondContact O-N 3.49Å; R313-L315 HydrophobicContact CB-CD1 3.79Å; R313-L315 HydrophobicContact CB-CG 4.04Å; R313-L315 PolarHBondContact O-N 2.92Å; L315-L328 HydrophobicContact CD1-CD2 4.36Å; L315-Y331 HydrophobicContact CD1-CD1 4.23Å; L315-Y331 HydrophobicContact CD1-CD2 3.89Å; L315-Y331 HydrophobicContact CD1-CG 3.71Å; L315-Y331 HydrophobicContact CD2-CD2 4.02Å; L315-Y331 HydrophobicContact CG-CD2 4.3Å
316P93.3Very high93.3Very high78 Ų7867.1 Ų67.151%0.50637%0.37SS..  trans-57.7141.5176-24.834.4000112.8R327P316-R327 PolarHBondContact O-NH1 3.17Å
317V93.6Very high93.3Very high58 Ų5869.7 Ų69.735%0.35238%0.38SS..  trans-114.45.3-173.9-58.70000115.1K307 L310 K311K307-V317 HydrophobicContact CB-CB 4.44Å; K307-V317 WeakPolarHBondContact CE-O 3.41Å; K307-V317 HydrophobicContact CG-CB 4.38Å; K307-V317 WeakPolarHBondContact O-CG1 3.31Å; L310-V317 HydrophobicContact CB-CG1 3.9Å; K311-V317 HydrophobicContact CB-CG1 4.16Å
318S90.4Very high93.2Very high85 Ų8565.4 Ų65.459%0.59436%0.361SS*.  trans-83.2161.5171.545.40000111.4R327S318-R327 PolarHBondContact O-NH1 3.35Å; S318-R327 PolarHBondContact O-NH2 2.88Å
319G91.8Very high93Very high47 Ų4764.8 Ų64.849%0.48535%0.353SS..SBendtrans112.7179.4172.400000116.2E323G319-E323 WeakPolarHBondContact CA-OE2 3.28Å
320T94.4Very high92.8Very high70 Ų7065.2 Ų65.243%0.42936%0.363SS..  trans-77.3163178.664.40000112.8T322 E323 L324T320-T322 PolarHBondContact O-N 3.48Å; T320-T322 PolarHBondContact OG1-OG1 2.94Å; T320-T322 VanDerWaalsContact OG1-OG1 3.05Å; T320-E323 VanDerWaalsContact CB-OE1 3.31Å; T320-E323 WeakPolarHBondContact CB-OE1 3.46Å; T320-E323 WeakPolarHBondContact CG2-OE1 3.36Å; T320-E323 VanDerWaalsContact N-CD 3.32Å; T320-E323 PolarHBondContact N-OE1 3.21Å; T320-E323 PolarHBondContact N-OE2 3.46Å; T320-E323 VanDerWaalsContact N-OE2 3.09Å; T320-E323 PolarHBondContact O-N 3.28Å; T320-E323 VanDerWaalsContact O-N 3.13Å; T320-E323 WeakPolarHBondContact OG1-CG 3.25Å; T320-E323 PolarHBondContact OG1-OE1 2.83Å; T320-L324 VanDerWaalsContact O-CG 3.25Å; T320-L324 WeakPolarHBondContact O-CG 3.41Å; T320-L324 PolarHBondContact O-N 3.05Å
321K94.8Very high92.4Very high74 Ų7467.9 Ų67.932%0.32237%0.374SS..Hα-helixtrans-52-43.4179.7178.1165.6167.7169.50112.1D299 M301 V303 L306 L324 I325D299-K321 WeakPolarHBondContact O-CE 3.41Å; D299-K321 PolarHBondContact O-NZ 2.91Å; M301-K321 WeakPolarHBondContact O-CE 3.26Å; M301-K321 PolarHBondContact O-NZ 3.09Å; V303-K321 HydrophobicContact CG2-CB 3.84Å; V303-K321 HydrophobicContact CG2-CD 4.13Å; V303-K321 HydrophobicContact CG2-CG 4.13Å; L306-K321 HydrophobicContact CD1-CD 4.26Å; L306-K321 HydrophobicContact CD1-CG 3.81Å; K321-L324 PolarHBondContact O-N 3.06Å; K321-I325 HydrophobicContact CD-CD1 4.43Å; K321-I325 HydrophobicContact CG-CD1 3.75Å; K321-I325 WeakPolarHBondContact O-CD1 3.28Å; K321-I325 VanDerWaalsContact O-CG1 3.31Å; K321-I325 WeakPolarHBondContact O-CG1 3.47Å; K321-I325 PolarHBondContact O-N 3.38Å
322T94.4Very high92Very high97 Ų9762.9 Ų62.960%0.59535%0.353SS*.Hα-helixtrans-62.6-46.2178.436.60000112.7T320 L324 I325 E326T320-T322 PolarHBondContact O-N 3.48Å; T320-T322 PolarHBondContact OG1-OG1 2.94Å; T320-T322 VanDerWaalsContact OG1-OG1 3.05Å; T322-L324 VanDerWaalsContact C-N 3.3Å; T322-L324 PolarHBondContact O-N 3.33Å; T322-I325 PolarHBondContact O-N 3.47Å; T322-E326 VanDerWaalsContact O-CB 3.32Å; T322-E326 WeakPolarHBondContact O-CB 3.5Å; T322-E326 PolarHBondContact O-N 3.07Å
323E94.9Very high91.3Very high73 Ų7363.1 Ų63.134%0.34136%0.355SS..Hα-helixtrans-66.9-32178.2-60.6151.7-137.100112.1G319 T320 R327G319-E323 WeakPolarHBondContact CA-OE2 3.28Å; T320-E323 VanDerWaalsContact CB-OE1 3.31Å; T320-E323 WeakPolarHBondContact CB-OE1 3.46Å; T320-E323 WeakPolarHBondContact CG2-OE1 3.36Å; T320-E323 VanDerWaalsContact N-CD 3.32Å; T320-E323 PolarHBondContact N-OE1 3.21Å; T320-E323 PolarHBondContact N-OE2 3.46Å; T320-E323 VanDerWaalsContact N-OE2 3.09Å; T320-E323 PolarHBondContact O-N 3.28Å; T320-E323 VanDerWaalsContact O-N 3.13Å; T320-E323 WeakPolarHBondContact OG1-CG 3.25Å; T320-E323 PolarHBondContact OG1-OE1 2.83Å; E323-R327 VanDerWaalsContact C-NH2 3.32Å; E323-R327 PolarHBondContact O-N 3.14Å; E323-R327 VanDerWaalsContact O-N 3.14Å; E323-R327 PolarHBondContact O-NE 3.03Å; E323-R327 PolarHBondContact O-NH2 2.89Å; E323-R327 IonicContact OE2-NH2 2.71Å
324L95.4Very high90.4Very high0 Ų070.5 Ų70.50%039%0.389CS..Hα-helixtrans-68.3-43.3177.1-65.3164.7000110.5V303 L306 K307 L310 T320 K321 T322 L328V303-L324 HydrophobicContact CG1-CD1 3.89Å; L306-L324 HydrophobicContact CB-CB 4.23Å; K307-L324 HydrophobicContact CD-CD1 4.19Å; K307-L324 HydrophobicContact CG-CD1 3.89Å; K307-L324 HydrophobicContact CG-CD2 3.86Å; L310-L324 HydrophobicContact CD1-CB 3.81Å; L310-L324 HydrophobicContact CD1-CD2 3.28Å; L310-L324 HydrophobicContact CD1-CG 4.14Å; T320-L324 VanDerWaalsContact O-CG 3.25Å; T320-L324 WeakPolarHBondContact O-CG 3.41Å; T320-L324 PolarHBondContact O-N 3.05Å; K321-L324 PolarHBondContact O-N 3.06Å; T322-L324 VanDerWaalsContact C-N 3.3Å; T322-L324 PolarHBondContact O-N 3.33Å; L324-L328 PolarHBondContact O-N 2.95Å
325I94.3Very high89.4Confident4 Ų469.4 Ų69.42%0.02137%0.374CS..Hα-helixtrans-61.7-47.5171.9-69.2158.8000110.8L298 D299 L306 K321 T322 R327 L328 R329L298-I325 HydrophobicContact CB-CB 4.49Å; L298-I325 HydrophobicContact CB-CG1 4.27Å; L298-I325 HydrophobicContact CB-CG2 3.76Å; L298-I325 HydrophobicContact CD1-CG2 4.24Å; D299-I325 HydrophobicContact CB-CD1 4.37Å; L306-I325 HydrophobicContact CD1-CD1 4.23Å; L306-I325 HydrophobicContact CD1-CG1 3.75Å; L306-I325 HydrophobicContact CD2-CG1 3.74Å; L306-I325 HydrophobicContact CG-CG1 4.42Å; K321-I325 HydrophobicContact CD-CD1 4.43Å; K321-I325 HydrophobicContact CG-CD1 3.75Å; K321-I325 WeakPolarHBondContact O-CD1 3.28Å; K321-I325 VanDerWaalsContact O-CG1 3.31Å; K321-I325 WeakPolarHBondContact O-CG1 3.47Å; K321-I325 PolarHBondContact O-N 3.38Å; T322-I325 PolarHBondContact O-N 3.47Å; I325-R327 VanDerWaalsContact C-N 3.32Å; I325-R327 PolarHBondContact O-N 2.74Å; I325-L328 PolarHBondContact O-N 3.27Å; I325-R329 VanDerWaalsContact CG2-NH2 3.29Å; I325-R329 WeakPolarHBondContact O-CB 3.47Å; I325-R329 PolarHBondContact O-N 2.78Å
326E94.2Very high87.1Confident125 Ų12571.6 Ų71.658%0.58439%0.392SS*.Hα-helixtrans-57-42.9-178.3-177.5173.9-144.300112.2T322 R329 A330T322-E326 VanDerWaalsContact O-CB 3.32Å; T322-E326 WeakPolarHBondContact O-CB 3.5Å; T322-E326 PolarHBondContact O-N 3.07Å; E326-R329 PolarHBondContact O-N 3.42Å; E326-A330 VanDerWaalsContact O-CB 3.3Å; E326-A330 WeakPolarHBondContact O-CB 3.28Å; E326-A330 PolarHBondContact O-N 3.03Å
327R94.6Very high84.5Confident54 Ų5473.4 Ų73.420%0.20440%0.404CS..Hα-helixtrans-65.1-37.3174-85.5165.2-77.8169.8-18.3113.7L310 P316 S318 E323 I325 Y331L310-R327 HydrophobicContact CD2-CB 3.63Å; P316-R327 PolarHBondContact O-NH1 3.17Å; S318-R327 PolarHBondContact O-NH1 3.35Å; S318-R327 PolarHBondContact O-NH2 2.88Å; E323-R327 VanDerWaalsContact C-NH2 3.32Å; E323-R327 PolarHBondContact O-N 3.14Å; E323-R327 VanDerWaalsContact O-N 3.14Å; E323-R327 PolarHBondContact O-NE 3.03Å; E323-R327 PolarHBondContact O-NH2 2.89Å; E323-R327 IonicContact OE2-NH2 2.71Å; I325-R327 VanDerWaalsContact C-N 3.32Å; I325-R327 PolarHBondContact O-N 2.74Å; R327-Y331 VanDerWaalsContact O-CB 3.3Å; R327-Y331 WeakPolarHBondContact O-CB 3.42Å; R327-Y331 PolarHBondContact O-N 3.18Å; R327-Y331 VanDerWaalsContact O-N 3.09Å
328L92.9Very high81.5Confident0 Ų077 Ų770%043%0.426CS..Hα-helixtrans-69-39.8174.6-72.3176.4000111.5L294 L298 L306 E309 L310 L315 L324 I325 Y331 Q332L294-L328 HydrophobicContact CD1-CB 3.91Å; L294-L328 HydrophobicContact CD1-CD2 4.24Å; L294-L328 VanDerWaalsContact CD1-O 3.3Å; L294-L328 WeakPolarHBondContact CD1-O 3.48Å; L294-L328 HydrophobicContact CD2-CD2 4.34Å; L298-L328 HydrophobicContact CD1-CB 3.87Å; L298-L328 HydrophobicContact CD2-CB 4.31Å; L298-L328 HydrophobicContact CD2-CD1 4.23Å; L306-L328 HydrophobicContact CD2-CD1 3.61Å; E309-L328 HydrophobicContact CB-CD1 4.06Å; E309-L328 HydrophobicContact CB-CD2 4.23Å; E309-L328 HydrophobicContact CG-CD1 4.11Å; E309-L328 HydrophobicContact CG-CD2 3.89Å; L310-L328 HydrophobicContact CD2-CD2 3.69Å; L310-L328 HydrophobicContact CD2-CG 3.73Å; L310-L328 HydrophobicContact CG-CD1 4.28Å; L310-L328 HydrophobicContact CG-CD2 3.8Å; L310-L328 HydrophobicContact CG-CG 3.81Å; L315-L328 HydrophobicContact CD1-CD2 4.36Å; L324-L328 PolarHBondContact O-N 2.95Å; I325-L328 PolarHBondContact O-N 3.27Å; L328-Y331 PolarHBondContact O-N 3.06Å; L328-Q332 PolarHBondContact O-N 2.91Å
329R91.4Very high79.2Confident111 Ų11178.9 Ų78.942%0.41944%0.436SS..Hα-helixtrans-64.6-50.6177.6-150.6-179.2-73.7154.6-8.2110.8L298 D299 I325 E326 Y331 Q332 D333L298-R329 HydrophobicContact CD1-CB 4.08Å; L298-R329 HydrophobicContact CD1-CG 4.43Å; D299-R329 IonicContact OD1-NH2 2.69Å; D299-R329 PolarHBondContact OD1-NH2 3.44Å; D299-R329 IonicContact OD2-CZ 2.82Å; D299-R329 IonicContact OD2-NH2 3.18Å; D299-R329 PolarHBondContact OD2-NH2 3.09Å; I325-R329 VanDerWaalsContact CG2-NH2 3.29Å; I325-R329 WeakPolarHBondContact O-CB 3.47Å; I325-R329 PolarHBondContact O-N 2.78Å; E326-R329 PolarHBondContact O-N 3.42Å; R329-Y331 PolarHBondContact O-N 2.62Å; R329-Q332 WeakPolarHBondContact O-CB 3.46Å; R329-Q332 PolarHBondContact O-N 3.41Å; R329-D333 PolarHBondContact O-N 3.46Å
330A88.9Confident76.4Confident47 Ų4780.4 Ų80.439%0.38845%0.452SS..Hα-helixtrans-64.1-21.4175.200000114.1E326 Q334E326-A330 VanDerWaalsContact O-CB 3.3Å; E326-A330 WeakPolarHBondContact O-CB 3.28Å; E326-A330 PolarHBondContact O-N 3.03Å; A330-Q334 WeakPolarHBondContact O-CG 3.37Å; A330-Q334 PolarHBondContact O-NE2 3.06Å
331Y86Confident73.5Confident55 Ų5581.8 Ų81.822%0.21647%0.47CS..Hα-helixtrans-81.3-36.8169.7-172.8-103.9000111.8R313 L315 R327 L328 R329 Q334 I335R313-Y331 HydrophobicContact CB-CD1 4.2Å; R313-Y331 HydrophobicContact CB-CE1 3.71Å; R313-Y331 HydrophobicContact CG-CD1 4.04Å; R313-Y331 HydrophobicContact CG-CE1 3.51Å; L315-Y331 HydrophobicContact CD1-CD1 4.23Å; L315-Y331 HydrophobicContact CD1-CD2 3.89Å; L315-Y331 HydrophobicContact CD1-CG 3.71Å; L315-Y331 HydrophobicContact CD2-CD2 4.02Å; L315-Y331 HydrophobicContact CG-CD2 4.3Å; R327-Y331 VanDerWaalsContact O-CB 3.3Å; R327-Y331 WeakPolarHBondContact O-CB 3.42Å; R327-Y331 PolarHBondContact O-N 3.18Å; R327-Y331 VanDerWaalsContact O-N 3.09Å; L328-Y331 PolarHBondContact O-N 3.06Å; R329-Y331 PolarHBondContact O-N 2.62Å; Y331-Q334 PolarHBondContact O-N 2.82Å; Y331-I335 HydrophobicContact CD1-CD1 3.44Å; Y331-I335 VanDerWaalsContact CD1-CD1 3.44Å; Y331-I335 HydrophobicContact CD2-CD1 4.46Å; Y331-I335 HydrophobicContact CE1-CD1 3.26Å; Y331-I335 HydrophobicContact CE2-CD1 4.31Å; Y331-I335 HydrophobicContact CG-CD1 4.08Å; Y331-I335 VanDerWaalsContact O-CD1 3.25Å; Y331-I335 WeakPolarHBondContact O-CD1 3.32Å; Y331-I335 VanDerWaalsContact O-CG1 3.3Å; Y331-I335 WeakPolarHBondContact O-CG1 3.39Å
332Q86Confident71.4Confident62 Ų6284 Ų8429%0.2949%0.492SS..Hα-helixtrans-63.4-43.9174.5-169.3153.227.700112.1L294 L328 R329 Q334 I335L294-Q332 HydrophobicContact CD1-CB 4.12Å; L294-Q332 PolarHBondContact O-NE2 3.26Å; L328-Q332 PolarHBondContact O-N 2.91Å; R329-Q332 WeakPolarHBondContact O-CB 3.46Å; R329-Q332 PolarHBondContact O-N 3.41Å; Q332-Q334 PolarHBondContact O-N 3.32Å; Q332-I335 PolarHBondContact O-N 3.43Å
333D78.4Confident68.2Low119 Ų11988.8 Ų88.864%0.63651%0.505SS*.Hα-helixtrans-59.5-32.1178.9-66-30.9000112.1R329 I335R329-D333 PolarHBondContact O-N 3.46Å; D333-I335 VanDerWaalsContact C-N 3.32Å; D333-I335 PolarHBondContact O-N 2.94Å
334Q69.1Low65.1Low161 Ų16189.3 Ų89.375%0.75252%0.522SS*.THydrogen-bonded Turntrans-78.9-6.8176.8-74.1177.790.500114.6A330 Y331 Q332A330-Q334 WeakPolarHBondContact O-CG 3.37Å; A330-Q334 PolarHBondContact O-NE2 3.06Å; Y331-Q334 PolarHBondContact O-N 2.82Å; Q332-Q334 PolarHBondContact O-N 3.32Å
335I66.6Low62.4Low96 Ų9695 Ų9549%0.49256%0.558SS.*THydrogen-bonded Turntrans-11618.2-178.6-47.5157.2000111Y331 Q332 D333 P337Y331-I335 HydrophobicContact CD1-CD1 3.44Å; Y331-I335 VanDerWaalsContact CD1-CD1 3.44Å; Y331-I335 HydrophobicContact CD2-CD1 4.46Å; Y331-I335 HydrophobicContact CE1-CD1 3.26Å; Y331-I335 HydrophobicContact CE2-CD1 4.31Å; Y331-I335 HydrophobicContact CG-CD1 4.08Å; Y331-I335 VanDerWaalsContact O-CD1 3.25Å; Y331-I335 WeakPolarHBondContact O-CD1 3.32Å; Y331-I335 VanDerWaalsContact O-CG1 3.3Å; Y331-I335 WeakPolarHBondContact O-CG1 3.39Å; Q332-I335 PolarHBondContact O-N 3.43Å; D333-I335 VanDerWaalsContact C-N 3.32Å; D333-I335 PolarHBondContact O-N 2.94Å; I335-P337 VanDerWaalsContact C-CD 3.48Å; I335-P337 WeakPolarHBondContact O-CD 3.49Å
336S42.7Very low59.1Low88 Ų8899 Ų9962%0.61559%0.592SS**  trans-107.186.6177.8-1670000112.1
337P40.7Very low56Low115 Ų11597.1 Ų97.175%0.74760%0.598SS**  trans-84.5118175.732.6-33.6000111.6I335I335-P337 VanDerWaalsContact C-CD 3.48Å; I335-P337 WeakPolarHBondContact O-CD 3.49Å
338V29.6Very low53.1Low135 Ų135100.8 Ų100.882%0.81863%0.627SS**  trans-130.1109.4162.7-1780000109.5
339P42.4Very low49.9Very low123 Ų123105.4 Ų105.480%0.79966%0.659SS**  trans-89.6145.1175.234.4-32.4000111.9
340G33.1Very low47.1Very low80 Ų80107.8 Ų107.883%0.82568%0.678SS**  trans121.8116.4163.700000115.6
341A34Very low44.2Very low98 Ų98111.2 Ų111.281%0.8169%0.689SS**  trans-91.8173.416100000109.4
342P48.9Very low41.3Very low120 Ų120116.4 Ų116.478%0.77972%0.715SS**  cis-139.5-164.810.341.8-22.1000115.4
343K28.9Very low38.6Very low199 Ų199123.3 Ų123.387%0.86574%0.744SS**  trans93.9116.3150.4-162.1171.3-177.9-178.10118.8
344A29.6Very low36.3Very low84 Ų84122.1 Ų122.169%0.69475%0.751SS**  trans-81.3165.8159.800000110.4
345P37.2Very low34.3Very low119 Ų119118 Ų11877%0.77375%0.752SS**  cis-145.6-166.331.444.6-24.4000116.5
346A26.6Very low32.3Very low89 Ų89122.1 Ų122.174%0.73677%0.769SS**  trans66.9129.2166.400000116.4
347A29.3Very low31.6Very low85 Ų85123.1 Ų123.170%0.70277%0.771SS**  59.3125.167.500000112.8
348T33.5Very low31Very low131 Ų131124 Ų12480%0.80477%0.774SS**  -174.3158.573.5370000114.4
349S25.4Very low30.9Very low97 Ų97123.7 Ų123.768%0.67877%0.772SS**  trans70.3166152-1340000117.5
350I32.3Very low30.2Very low161 Ų161121.3 Ų121.383%0.82676%0.763SS**  cis-146.6157.220.7-57.2172.2000109.5
351L27.1Very low29.9Very low118 Ų118127.3 Ų127.362%0.61877%0.767SS**  cis-175.4143.8-38.2-172.860.1000109.9
352H26.8Very low30.2Very low165 Ų165128.6 Ų128.676%0.76477%0.767SS**  trans36.1131.9161.6-62.4160.6000123.5
353K28.1Very low29.1Very low207 Ų207127.9 Ų127.990%0.977%0.771SS**  -154.3155.9121.1-153.363.2177.1179.40112.4
354A29.5Very low29.1Very low94 Ų94122.6 Ų122.678%0.77777%0.765SS**  trans-153.6155.9179.300000111.7
355G28.6Very low29.1Very low75 Ų75129.4 Ų129.477%0.77377%0.773SS**  trans73.3162172.300000116.1
356E24.3Very low28.8Very low182 Ų182130.2 Ų130.285%0.8577%0.77SS**  cis-167.8-179.9-14-152.9-163.710600109.5
357V28.6Very low28.8Very low109 Ų109130.2 Ų130.266%0.66176%0.764SS**  trans77.7113.5164.9-162.60000118.8
358V27.1Very low28.9Very low134 Ų134132.5 Ų132.581%0.81277%0.769SS**  -176.195.6114.2158.90000110.9
359V27.7Very low28.7Very low127 Ų127129.5 Ų129.577%0.7776%0.764SS**  trans35.2120.9130.5-174.40000122.5
360A27.8Very low29.5Very low74 Ų74131.5 Ų131.561%0.61278%0.775SS**  trans90.1109.9138.100000125.5
361F26.3Very low29.1Very low206 Ų206127.9 Ų127.990%0.90477%0.769SS**  60.5161.6126.5-69-61.6000123.2
362P40.1Very low29.2Very low124 Ų124129.5 Ų129.581%0.80578%0.778SS**  cis-124.1-166-12.435.9-16.7000114
363A25.9Very low29.4Very low105 Ų105128.3 Ų128.387%0.86878%0.782SS**  trans-140.7162.2-172.800000115.7
364A28.4Very low29.3Very low89 Ų89123 Ų12374%0.73678%0.777SS**  trans-149.4134.6158.900000108
365R30.9Very low29.2Very low227 Ų227123.5 Ų123.586%0.85778%0.781SS**  73.2136.855.2-72.3-166.1164.3-151.4-3112.6
366L29.9Very low29.2Very low136 Ų136123.1 Ų123.171%0.71278%0.777SS**  cis-164.7154.811.8-129.6172.1000113.8
367S26.8Very low29.5Very low89 Ų89122.6 Ų122.662%0.62278%0.779SS**  110.6130.4129.7-148.70000123.4
368T32.1Very low29.5Very low132 Ų132121.5 Ų121.581%0.8178%0.781SS**  trans72.2126.9144.727.80000123.4
369G28.5Very low30.3Very low68 Ų68118.1 Ų118.170%0.70176%0.762SS**  trans-98.2-135.8157.700000111.4
370P42.4Very low30.5Very low139 Ų139115.3 Ų115.390%0.90375%0.752SS**  cis-126.7-1582043.1-27.1000114.4
371A25.4Very low30.7Very low85 Ų85117.4 Ų117.470%0.70275%0.749SS**  trans-109.7-172.6-176.400000113.3
372L28.1Very low30.7Very low153 Ų153111.9 Ų111.980%0.80173%0.732SS**  trans151.1147.7130-78.3177.2000114.3
373V30.3Very low30.1Very low139 Ų139112 Ų11284%0.84273%0.73SS**  trans56.4158.5156.2-64.60000120.6
374A27.1Very low30Very low96 Ų96113 Ų11379%0.79373%0.725SS**  cis-166.4-171-28.300000109.9
375A28Very low29.9Very low105 Ų105112.9 Ų112.987%0.86872%0.724SS**  trans-63.1169.2174.800000113.9
376G27Very low29.8Very low66 Ų66107.9 Ų107.968%0.6872%0.719SS**  cis157.5-1631.100000110.8
377L31.2Very low29.8Very low171 Ų171107.9 Ų107.990%0.89573%0.725SS**  trans67.2121.8168.7-58.7179.7000119.9
378A29Very low30Very low86 Ų86108.1 Ų108.171%0.71173%0.732SS**  47.3160.5111.100000124
379P42.7Very low29.9Very low63 Ų63106.7 Ų106.741%0.40973%0.727SS.*  trans-138.6-159.1-155.227.3-0.1000118.5P149 L150 L151P149-P379 CarbonylContact O-C 3.42Å; P149-P379 WeakPolarHBondContact O-CA 3.41Å; P149-P379 WeakPolarHBondContact O-CB 3.47Å; P149-P379 WeakPolarHBondContact O-CD 3.44Å; P149-P379 WeakPolarHBondContact O-CG 3.27Å; L150-P379 VanDerWaalsContact C-CB 3.46Å; L151-P379 WeakPolarHBondContact O-CB 3.37Å
380A33.3Very low30.1Very low68 Ų68109.3 Ų109.356%0.56274%0.735SS**  trans-175.3165.7158.600000115.3P149 L150 L151P149-A380 WeakPolarHBondContact O-CA 3.31Å; P149-A380 PolarHBondContact O-N 2.89Å; L150-A380 CarbonylContact O-C 2.79Å; L150-A380 WeakPolarHBondContact O-CA 3.28Å; L150-A380 PolarHBondContact O-N 2.87Å; L150-A380 VanDerWaalsContact O-N 3.14Å; L151-A380 PolarHBondContact O-N 2.98Å
381E31Very low29.7Very low118 Ų118106.2 Ų106.255%0.55173%0.728SS**  -131-157.1-87.5-148.3-13415400112.2P149 L150P149-E381 HydrophobicContact CB-CG 4.39Å; P149-E381 HydrophobicContact CG-CB 4.23Å; P149-E381 HydrophobicContact CG-CG 4.29Å; L150-E381 HydrophobicContact CB-CG 4.17Å; L150-E381 VanDerWaalsContact O-CA 3.24Å; L150-E381 WeakPolarHBondContact O-CA 3.4Å; L150-E381 PolarHBondContact O-N 3.42Å
382V26.9Very low30Very low90 Ų90109.3 Ų109.355%0.54574%0.738SS.*  trans-71.8160.1-168.2178.30000116.1
383V26.6Very low30.5Very low127 Ų127109 Ų10977%0.7774%0.742SS**  158.8117.1127.1166.80000117.4
384V25Very low30.7Very low126 Ų126112 Ų11276%0.76474%0.744SS**  trans19.7133.4140.2-170.70000124.2
385A26.1Very low31Very low86 Ų86117 Ų11771%0.71175%0.748SS**  trans170.5149.4131.300000113.1
386T28.8Very low31.3Very low122 Ų122115.6 Ų115.675%0.74874%0.744SS**  cis-161.1132.7-17.223.80000112.6
387V28.7Very low31.8Very low137 Ų137117.4 Ų117.483%0.8375%0.746SS**  trans39.9127.9139.9-177.40000123.1
388A31Very low31.9Very low93 Ų93116.5 Ų116.577%0.76975%0.748SS**  trans-149.5122.4136.900000113.1
389S31.4Very low32.1Very low103 Ų103116 Ų11672%0.7275%0.751SS**  trans39.5107.3162.560.90000123
390S32.6Very low31.5Very low122 Ų122118.2 Ų118.285%0.85377%0.768SS**  trans51.1107.413462.90000122.1
391G33.4Very low31.7Very low74 Ų74120.8 Ų120.876%0.76378%0.777SS**  113.448.577.100000121
392V31Very low32.4Very low150 Ų150120.6 Ų120.691%0.90979%0.786SS**  trans-153.2132.9138-95.50000109.4
393V39.8Very low33.5Very low147 Ų147122.5 Ų122.589%0.89180%0.8SS**  trans-99.8127.5175.9-70.40000110.8
394K34.5Very low33.8Very low203 Ų203123 Ų12388%0.88380%0.804SS**  trans-146.9126.5166.1-170.2163.9-176.8173.60109.6
395F32.5Very low34Very low200 Ų200121.5 Ų121.588%0.87780%0.798SS**  trans-69.4153.6176.2-77.8-96.4000111.2
396G35.3Very low34.6Very low75 Ų75123.3 Ų123.377%0.77380%0.803SS**  trans-67.5141.8-163.900000115.2
397S37.7Very low34.7Very low105 Ų105123.5 Ų123.573%0.73480%0.804SS**  trans-166.3152.8165.4-81.40000109.7
398T33.8Very low34.9Very low151 Ų151123.1 Ų123.193%0.92680%0.804SS**  trans66.1144.9-176.175.90000114.9
399G32.3Very low34.9Very low76 Ų76124.3 Ų124.378%0.78481%0.807SS**  cis154.5142.1-10.500000112.2
400S30.2Very low35Very low110 Ų110128.1 Ų128.177%0.76981%0.813SS**  trans-158.6120.9162.7-167.30000114.3
401T37.2Very low35.1Very low121 Ų121133.4 Ų133.474%0.74282%0.815SS**  trans2.4128.6141.68.60000120.5
402P45.1Very low34.7Very low115 Ų115135.4 Ų135.475%0.74782%0.817SS**  trans-86.1151.614435.2-31.1000111.7
403P51.8Low35Very low130 Ų130134.7 Ų134.784%0.84481%0.807SS**  trans-87.9176.2-179.135.4-36.4000115
404V31.5Very low34.6Very low138 Ų138135.8 Ų135.884%0.83681%0.807SS**PPolyproline II helixtrans-72.3157.6-171.8176.30000114.2
405S30.1Very low34.3Very low93 Ų93131.8 Ų131.865%0.6581%0.805SS**PPolyproline II helixtrans-70.6158.8179.748.70000115.8
406P37.7Very low34.7Very low125 Ų125128.6 Ų128.681%0.81280%0.802SS**PPolyproline II helixtrans-84.1146.9155.334.6-31.4000111.3
407T31.1Very low34.6Very low125 Ų125128.6 Ų128.677%0.76780%0.802SS**PPolyproline II helixtrans-91.8153.4178.548.80000112.9
408P32.8Very low34.5Very low129 Ų129130.5 Ų130.584%0.83880%0.803SS**PPolyproline II helixtrans-87.4128.6145.533.3-26.4000109.2
409S31.2Very low35.3Very low119 Ų119132.2 Ų132.283%0.83280%0.801SS**PPolyproline II helixtrans-97.8137.5172-1720000110.4
410E33.5Very low35.4Very low182 Ų182134.9 Ų134.985%0.8580%0.797SS**PPolyproline II helixtrans-75.8143.8175.1-57.8172.995.400112.1
411R35.3Very low35.7Very low234 Ų234134.6 Ų134.688%0.88380%0.795SS**  176.5127.4122.7-102.4177.8175.1165.4-0112.7
412S25.8Very low35.9Very low115 Ų115135.1 Ų135.180%0.80480%0.798SS**  -155.4163.897.6-158.90000110
413L36.7Very low36.2Very low136 Ų136135.7 Ų135.771%0.71280%0.803SS**  trans-131.9165.2-174.7-66.7171.4000110.8
414L31.3Very low35.2Very low170 Ų170132.7 Ų132.789%0.8980%0.795SS**  trans74.1119.8164.9-45.1-178.4000117.4
415S28.5Very low35.4Very low118 Ų118132.4 Ų132.483%0.82579%0.789SS**  trans-148.2155.8137.8-166.40000108.8
416T39.6Very low36.4Very low134 Ų134134.5 Ų134.582%0.82280%0.798SS**  trans-139.3136.4-173.950.20000110.7
417G34.5Very low36.5Very low74 Ų74137.6 Ų137.676%0.76380%0.799SS**  trans84.2163.3-172.700000112.5
418D34Very low37.2Very low145 Ų145135 Ų13578%0.77580%0.797SS**  cis-140.5-170.92.569.1-64.9000112.4
419E50.4Low37.4Very low187 Ų187137.3 Ų137.387%0.87480%0.796SS**  trans-108.1126.1-178.5-61.1-175.492.500111.7
420N35.9Very low38.3Very low132 Ų132140.2 Ų140.271%0.70680%0.799SS**  trans-172.7159.913468.7104.5000114.8
421S36.5Very low38.4Very low104 Ų104137.2 Ų137.273%0.72779%0.793SS**  trans67.1120.2148.6-52.20000123.1
422T40.4Very low38.4Very low132 Ų132132.4 Ų132.481%0.8179%0.79SS**  trans-80.3-171.9157.656.20000112.4
423P51.1Low38.5Very low128 Ų128132 Ų13283%0.83179%0.787SS**  cis-131.3-172.8-20.825.9-1.9000113.7
424G31.2Very low38.6Very low67 Ų67131.8 Ų131.869%0.69179%0.794SS**  trans133.789.616300000113
425D36.2Very low38.6Very low131 Ų131131.6 Ų131.670%0.70179%0.793SS**  69.7116.686.9-165.316000115
426T50Low39Very low137 Ų137131.3 Ų131.384%0.8479%0.786SS**  trans-155.2123.5166.9-61.10000109
427F40.2Very low39Very low190 Ų190132.9 Ų132.983%0.83378%0.784SS**  trans-75.4143.6179.2-81.2-127.4000111.3
428G46.9Very low38.9Very low70 Ų70136.6 Ų136.672%0.72279%0.786SS**  trans-155.165-177.400000112.6M430G428-M430 PolarHBondContact O-N 2.96Å
429E36Very low38.8Very low178 Ų178134.9 Ų134.983%0.83278%0.781SS**  trans-67.9111.9-177-174.5175.9-179.400112V431E429-V431 HydrophobicContact CG-CG2 4.19Å
430M49.6Very low37.7Very low180 Ų180133.6 Ų133.689%0.88778%0.779SS**  trans-114.8111.3170.8-71.9-160.8-64.700111G428G428-M430 PolarHBondContact O-N 2.96Å
431V35.9Very low37.8Very low119 Ų119135.6 Ų135.672%0.72178%0.784SS**  trans-98.2113.5175.3-158.50000109.4E429E429-V431 HydrophobicContact CG-CG2 4.19Å
432T35.3Very low37.4Very low133 Ų133135.3 Ų135.382%0.81679%0.788SS**  trans-140.7118.4170.9-61.80000110.2
433S29.2Very low37.1Very low108 Ų108133.3 Ų133.376%0.75578%0.779SS**PPolyproline II helixtrans-75.3139.3-179.4-53.60000112.3
434P36.9Very low36.4Very low130 Ų130133.2 Ų133.284%0.84478%0.779SS**PPolyproline II helixtrans-78.7133.2171.631.4-32.9000111.6
435L31.8Very low36.6Very low167 Ų167136.7 Ų136.787%0.87478%0.781SS**PPolyproline II helixtrans-96.1147.9167.5-177.561.1000110.2
436T38.3Very low36.8Very low112 Ų112137.5 Ų137.569%0.68778%0.78SS**PPolyproline II helixtrans-82.3139.1-17437.80000114.6
437Q37.7Very low36Very low166 Ų166137.6 Ų137.678%0.77677%0.774SS**  trans177.7130130.8-96159.1107.600110.2
438L33.5Very low35.8Very low152 Ų152135.4 Ų135.480%0.79677%0.77SS**  63.6128.486-65-167.9000113.1
439T30.9Very low34.9Very low109 Ų109139.3 Ų139.367%0.66978%0.78SS**  cis-164.1157.3-0.1-630000108.7
440L28.5Very low35.4Very low161 Ų161139.4 Ų139.484%0.84378%0.778SS**  trans150.4122.3132.7-78.6169.7000116.7
441Q37.8Very low34.8Very low174 Ų174139.5 Ų139.581%0.81378%0.776SS**  trans-22.2139.9153.5-76.5-80.40.200120
442A28.8Very low34.8Very low97 Ų97142.8 Ų142.880%0.80278%0.783SS**  -160.1152.6123.600000111
443S32.9Very low34.9Very low90 Ų90139.9 Ų139.963%0.62978%0.779SS**  trans-103.3163.4172.2-177.20000110.1
444P36.5Very low35.9Very low126 Ų126140.2 Ų140.282%0.81878%0.779SS**  -135.8157.9109.836.3-26.3000114.5
445L35.5Very low35.8Very low140 Ų140146.2 Ų146.273%0.73379%0.785SS**  trans-131.5163.7170-77.1173000109
446Q41.5Very low36.1Very low149 Ų149143.6 Ų143.670%0.69679%0.787SS**  trans75.6151.6161.6-47.2-45.14700119.4
447I33Very low35.9Very low138 Ų138142.1 Ų142.171%0.70879%0.794SS**  cis-165.9153-37.7-142.2169.1000110.6
448L35.6Very low36.5Very low145 Ų145139.7 Ų139.776%0.75980%0.795SS**  trans44118.6148.8-168.696.5000122.4
449V28.5Very low36.3Very low151 Ų151137.9 Ų137.992%0.91580%0.795SS**  trans-140.6161.6130.7-178.20000108.5
450K45.2Very low36.3Very low181 Ų181138.5 Ų138.579%0.78780%0.802SS**  trans-150.7123.5-170.6167.6-157.1163.3-170.50112.8
451E37.8Very low37Very low182 Ų182138.3 Ų138.385%0.8580%0.801SS**  trans-160.2126.9153.4-106.818091.700107.3
452E35.3Very low37.2Very low188 Ų188134.9 Ų134.988%0.87980%0.796SS**  71.6125.982.4-157.9177.9145.600115.9
453G37.3Very low38Very low71 Ų71136.4 Ų136.473%0.73280%0.798SS**  trans162.5113.9173.800000112.9
454P50.2Low38.1Very low116 Ų116135.4 Ų135.475%0.75380%0.802SS**  trans-108.3153-163.938.1-34.7000116
455R34.5Very low38.7Very low256 Ų256133.6 Ų133.697%0.96681%0.806SS**  trans-157.3156.5133.8-81-136.7171.4170.61.1111.3
456A39Very low39.2Very low111 Ų111138.3 Ų138.392%0.91781%0.814SS**  trans-105.9149.9-170.700000113.9
457G34.3Very low39.6Very low81 Ų81135.2 Ų135.284%0.83581%0.814SS**  trans-154.8141.6167.300000109.1
458S50.6Low40.2Very low115 Ų115134.7 Ų134.780%0.80481%0.808SS**  trans-122.1169.1-171.9-167.50000112.1
459C29.1Very low40.9Very low115 Ų115134.9 Ų134.978%0.77781%0.809SS**  trans72.3142.1179.9-55.30000114.6
460C31.3Very low42Very low121 Ų121134 Ų13482%0.81880%0.795SS**  cis-155-175.96.8-126.70000114.1
461L43.3Very low42.4Very low157 Ų157127.3 Ų127.382%0.82278%0.777SS**  trans-67.9164.2-170.3-62.1174.4000116.2
462S40.3Very low43.4Very low103 Ų103126.1 Ų126.172%0.7277%0.765SS**  cis-147.7-66.83.4-133.60000118.8
463P46.9Very low45.1Very low128 Ų128121.1 Ų121.183%0.83175%0.745SS**  trans-120.8133.3-140.836.4-22.6000117
464G34.9Very low46.8Very low70 Ų70122.7 Ų122.772%0.72273%0.731SS**  trans-16022.6178.700000116.6R466G464-R466 VanDerWaalsContact C-N 3.34Å; G464-R466 PolarHBondContact O-N 3.37Å
465G48.2Very low48.6Very low87 Ų87122.4 Ų122.490%0.89772%0.723SS**THydrogen-bonded Turntrans-72.167.5-169.300000116.5
466R47.3Very low51.3Low240 Ų240116.4 Ų116.491%0.90671%0.706SS**THydrogen-bonded Turntrans-144.4-7164.9-98.8-156.9168.8-144.7-7.2117.5G464G464-R466 VanDerWaalsContact C-N 3.34Å; G464-R466 PolarHBondContact O-N 3.37Å
467A48.7Very low53.8Low83 Ų83116 Ų11669%0.68669%0.687SS**SBendtrans-87.4-23-179.100000114.7
468E45.5Very low56.6Low128 Ų128116.7 Ų116.760%0.59867%0.671SS**SBendtrans-72.1-35-166.3-160.1-171.6122.400114.1E470 G471 R472E468-E470 PolarHBondContact O-N 2.81Å; E468-G471 PolarHBondContact O-N 3.26Å; E468-G471 VanDerWaalsContact O-N 3.17Å; E468-R472 PolarHBondContact O-N 2.75Å; E468-R472 IonicContact OE1-CZ 3.73Å; E468-R472 IonicContact OE1-NE 3.05Å; E468-R472 PolarHBondContact OE1-NE 3.35Å; E468-R472 IonicContact OE1-NH2 3.59Å; E468-R472 PolarHBondContact OE1-NH2 2.95Å
469L50.9Low58.6Low149 Ų149117.9 Ų117.978%0.7866%0.663SS**Hα-helixtrans-64.9-41.2-174.1-161.674.6000112.2G471 R472 D473L469-G471 PolarHBondContact O-N 3.23Å; L469-R472 PolarHBondContact O-N 3.15Å; L469-D473 PolarHBondContact O-N 2.86Å
470E51.4Low61.7Low132 Ų132116.6 Ų116.662%0.61765%0.646SS**Hα-helixtrans-77.7-8.6179.6-145.3-161.9116.900112.9E468 K474E468-E470 PolarHBondContact O-N 2.81Å; E470-K474 WeakPolarHBondContact O-CG 3.3Å; E470-K474 PolarHBondContact O-NZ 3.15Å; E470-K474 IonicContact OE1-NZ 3.88Å; E470-K474 PolarHBondContact OE1-NZ 2.74Å
471G54.7Low64.7Low40 Ų40115.7 Ų115.741%0.41263%0.628SS.*Hα-helixtrans-79.5-5016700000111.1E468 L469 D473 K474 D475E468-G471 PolarHBondContact O-N 3.26Å; E468-G471 VanDerWaalsContact O-N 3.17Å; L469-G471 PolarHBondContact O-N 3.23Å; G471-D473 VanDerWaalsContact C-N 3.33Å; G471-D473 PolarHBondContact O-N 3.34Å; G471-K474 PolarHBondContact O-N 2.96Å; G471-K474 VanDerWaalsContact O-N 3.14Å; G471-D475 PolarHBondContact O-N 3.1Å
472R58.1Low67.1Low157 Ų157112.3 Ų112.359%0.59261%0.611SS**Hα-helixtrans-59.3-39-179.5-67.3176.8178.4-82.22.9113.1E468 L469 D475 Q476E468-R472 PolarHBondContact O-N 2.75Å; E468-R472 IonicContact OE1-CZ 3.73Å; E468-R472 IonicContact OE1-NE 3.05Å; E468-R472 PolarHBondContact OE1-NE 3.35Å; E468-R472 IonicContact OE1-NH2 3.59Å; E468-R472 PolarHBondContact OE1-NH2 2.95Å; L469-R472 PolarHBondContact O-N 3.15Å; R472-D475 PolarHBondContact O-N 2.9Å; R472-Q476 VanDerWaalsContact O-CB 3.3Å; R472-Q476 WeakPolarHBondContact O-CB 3.48Å; R472-Q476 PolarHBondContact O-N 3.09Å
473D70.4Confident69.8Low84 Ų84112.9 Ų112.945%0.44960%0.601SS.*Hα-helixtrans-61.4-42.4175.1175.675.5000112.8L469 G471 M477L469-D473 PolarHBondContact O-N 2.86Å; G471-D473 VanDerWaalsContact C-N 3.33Å; G471-D473 PolarHBondContact O-N 3.34Å; D473-M477 WeakPolarHBondContact O-CB 3.18Å; D473-M477 PolarHBondContact O-N 2.91Å; D473-M477 WeakPolarHBondContact OD2-CE 3.39Å
474K73.9Confident72.2Confident104 Ų104111.5 Ų111.545%0.45258%0.583SS.*Hα-helixtrans-72.4-36.6178.2-63.8-174.8-168.587.40112.6E470 G471 M477 L478E470-K474 WeakPolarHBondContact O-CG 3.3Å; E470-K474 PolarHBondContact O-NZ 3.15Å; E470-K474 IonicContact OE1-NZ 3.88Å; E470-K474 PolarHBondContact OE1-NZ 2.74Å; G471-K474 PolarHBondContact O-N 2.96Å; G471-K474 VanDerWaalsContact O-N 3.14Å; K474-M477 HydrophobicContact CG-CE 4.22Å; K474-M477 PolarHBondContact O-N 3.21Å; K474-L478 WeakPolarHBondContact O-CB 3.47Å; K474-L478 PolarHBondContact O-N 3.12Å
475D86.4Confident75.1Confident110 Ų110112.7 Ų112.759%0.58857%0.572SS**Hα-helixtrans-65.3-42.7174.4-164.153.3000111.1G471 R472 L478 Q479G471-D475 PolarHBondContact O-N 3.1Å; R472-D475 PolarHBondContact O-N 2.9Å; D475-L478 WeakPolarHBondContact O-CB 3.45Å; D475-L478 PolarHBondContact O-N 3.46Å; D475-Q479 WeakPolarHBondContact O-CB 3.42Å; D475-Q479 PolarHBondContact O-N 2.95Å
476Q91.8Very high77.4Confident130 Ų130113.6 Ų113.661%0.60755%0.553SS**Hα-helixtrans-65.5-40.4173.7-172.4170.342.900112.5R472 L478 Q479 E480R472-Q476 VanDerWaalsContact O-CB 3.3Å; R472-Q476 WeakPolarHBondContact O-CB 3.48Å; R472-Q476 PolarHBondContact O-N 3.09Å; Q476-L478 VanDerWaalsContact C-N 3.34Å; Q476-Q479 PolarHBondContact O-N 3.43Å; Q476-E480 PolarHBondContact O-N 3.32Å
477M91.7Very high79.8Confident103 Ų103104.3 Ų104.351%0.50753%0.527SS..Hα-helixtrans-62.6-39.5171.8-83.2-168.7-73.300112.5D473 K474 E480 K481D473-M477 WeakPolarHBondContact O-CB 3.18Å; D473-M477 PolarHBondContact O-N 2.91Å; D473-M477 WeakPolarHBondContact OD2-CE 3.39Å; K474-M477 HydrophobicContact CG-CE 4.22Å; K474-M477 PolarHBondContact O-N 3.21Å; M477-E480 PolarHBondContact O-N 2.96Å; M477-K481 WeakPolarHBondContact O-CG 3.19Å; M477-K481 PolarHBondContact O-N 2.91Å
478L93.1Very high82.1Confident95 Ų95105.5 Ų105.550%0.49752%0.522SS..Hα-helixtrans-63.4-49.4174.9179.460.4000110.6K474 D475 Q476 E480 K481 D482K474-L478 WeakPolarHBondContact O-CB 3.47Å; K474-L478 PolarHBondContact O-N 3.12Å; D475-L478 WeakPolarHBondContact O-CB 3.45Å; D475-L478 PolarHBondContact O-N 3.46Å; Q476-L478 VanDerWaalsContact C-N 3.34Å; L478-E480 VanDerWaalsContact C-N 3.3Å; L478-E480 PolarHBondContact O-N 2.92Å; L478-K481 CarbonylContact O-C 2.77Å; L478-K481 WeakPolarHBondContact O-CA 3.44Å; L478-K481 WeakPolarHBondContact O-CB 3.32Å; L478-K481 PolarHBondContact O-N 3.31Å; L478-D482 PolarHBondContact O-N 2.92Å
479Q92.5Very high84.5Confident139 Ų139101.9 Ų101.965%0.6551%0.508SS*.Hα-helixtrans-57.4-40.3177.3-168.9178.346.700112.5D475 Q476 D482 K483D475-Q479 WeakPolarHBondContact O-CB 3.42Å; D475-Q479 PolarHBondContact O-N 2.95Å; Q476-Q479 PolarHBondContact O-N 3.43Å; Q479-D482 PolarHBondContact O-N 2.9Å; Q479-K483 VanDerWaalsContact O-CB 3.23Å; Q479-K483 WeakPolarHBondContact O-CB 3.34Å; Q479-K483 PolarHBondContact O-N 3.28Å
480E93.6Very high86.7Confident89 Ų89100.4 Ų100.442%0.41649%0.492SS..Hα-helixtrans-74-29.1175.7-16759.7-138.400112.5Q476 M477 L478 K483 Q484Q476-E480 PolarHBondContact O-N 3.32Å; M477-E480 PolarHBondContact O-N 2.96Å; L478-E480 VanDerWaalsContact C-N 3.3Å; L478-E480 PolarHBondContact O-N 2.92Å; E480-K483 IonicContact OE1-NZ 3.95Å; E480-K483 PolarHBondContact OE1-NZ 2.78Å; E480-K483 IonicContact OE2-NZ 3.15Å; E480-K483 PolarHBondContact OE2-NZ 2.91Å; E480-Q484 WeakPolarHBondContact O-CB 3.45Å; E480-Q484 PolarHBondContact O-N 3.4Å
481K94.8Very high88.9Confident102 Ų10298.5 Ų98.544%0.44349%0.485SS..Hα-helixtrans-66-44.5168.9-67.7-8065.550.90111.1M477 L478 Q484 I485M477-K481 WeakPolarHBondContact O-CG 3.19Å; M477-K481 PolarHBondContact O-N 2.91Å; L478-K481 CarbonylContact O-C 2.77Å; L478-K481 WeakPolarHBondContact O-CA 3.44Å; L478-K481 WeakPolarHBondContact O-CB 3.32Å; L478-K481 PolarHBondContact O-N 3.31Å; K481-Q484 CarbonylContact O-C 3.58Å; K481-Q484 WeakPolarHBondContact O-CB 3.29Å; K481-Q484 PolarHBondContact O-N 2.94Å; K481-I485 VanDerWaalsContact O-CG1 3.29Å; K481-I485 WeakPolarHBondContact O-CG1 3.28Å; K481-I485 PolarHBondContact O-N 3.33Å
482D94.1Very high91Very high86 Ų86102.2 Ų102.246%0.4649%0.494SS..Hα-helixtrans-66.9-42.9179.2-70.5-27.3000111.9L478 Q479 Q484 I485 E486L478-D482 PolarHBondContact O-N 2.92Å; Q479-D482 PolarHBondContact O-N 2.9Å; D482-Q484 VanDerWaalsContact C-N 3.28Å; D482-Q484 PolarHBondContact O-N 2.89Å; D482-I485 CarbonylContact O-C 3.6Å; D482-I485 WeakPolarHBondContact O-CB 3.49Å; D482-I485 PolarHBondContact O-N 3.27Å; D482-I485 VanDerWaalsContact O-N 3.15Å; D482-E486 WeakPolarHBondContact O-CB 3.1Å; D482-E486 PolarHBondContact O-N 3.26Å
483K97.1Very high92.7Very high115 Ų115102.9 Ų102.950%0.550%0.497SS..Hα-helixtrans-57.6-38.4170.5172.8165160.4-94.30112.5Q479 E480 E486 A487Q479-K483 VanDerWaalsContact O-CB 3.23Å; Q479-K483 WeakPolarHBondContact O-CB 3.34Å; Q479-K483 PolarHBondContact O-N 3.28Å; E480-K483 IonicContact OE1-NZ 3.95Å; E480-K483 PolarHBondContact OE1-NZ 2.78Å; E480-K483 IonicContact OE2-NZ 3.15Å; E480-K483 PolarHBondContact OE2-NZ 2.91Å; K483-E486 PolarHBondContact O-N 3.39Å; K483-A487 WeakPolarHBondContact O-CB 3.22Å; K483-A487 PolarHBondContact O-N 3.07Å
484Q96.2Very high94Very high99 Ų99104.6 Ų104.646%0.46350%0.502SS..Hα-helixtrans-71.9-36.8175.2-169.5166.537.800112.6E480 K481 D482 L488E480-Q484 WeakPolarHBondContact O-CB 3.45Å; E480-Q484 PolarHBondContact O-N 3.4Å; K481-Q484 CarbonylContact O-C 3.58Å; K481-Q484 WeakPolarHBondContact O-CB 3.29Å; K481-Q484 PolarHBondContact O-N 2.94Å; D482-Q484 VanDerWaalsContact C-N 3.28Å; D482-Q484 PolarHBondContact O-N 2.89Å; Q484-L488 HydrophobicContact CG-CD1 4.4Å; Q484-L488 WeakPolarHBondContact O-CB 3.37Å; Q484-L488 WeakPolarHBondContact O-CG 3.17Å; Q484-L488 PolarHBondContact O-N 3.28Å
485I96.6Very high95Very high95 Ų95105.6 Ų105.649%0.48751%0.506SS..Hα-helixtrans-64.3-41.4171.7-70.7161.9000110.6K481 D482 L488 T489K481-I485 VanDerWaalsContact O-CG1 3.29Å; K481-I485 WeakPolarHBondContact O-CG1 3.28Å; K481-I485 PolarHBondContact O-N 3.33Å; D482-I485 CarbonylContact O-C 3.6Å; D482-I485 WeakPolarHBondContact O-CB 3.49Å; D482-I485 PolarHBondContact O-N 3.27Å; D482-I485 VanDerWaalsContact O-N 3.15Å; I485-L488 PolarHBondContact O-N 3.17Å; I485-T489 VanDerWaalsContact O-CB 3.27Å; I485-T489 WeakPolarHBondContact O-CB 3.34Å; I485-T489 PolarHBondContact O-N 2.82Å; I485-T489 PolarHBondContact O-OG1 3.16Å
486E97.3Very high95.5Very high106 Ų106105.9 Ų105.950%0.49550%0.504SS..Hα-helixtrans-66.8-43.4178.2-154.6-129.1148.300111.2D482 K483 T489 R490D482-E486 WeakPolarHBondContact O-CB 3.1Å; D482-E486 PolarHBondContact O-N 3.26Å; K483-E486 PolarHBondContact O-N 3.39Å; E486-T489 PolarHBondContact O-N 3.29Å; E486-R490 WeakPolarHBondContact O-CB 3.19Å; E486-R490 PolarHBondContact O-N 3.4Å; E486-R490 IonicContact OE1-CZ 3Å; E486-R490 IonicContact OE1-NE 3.19Å; E486-R490 IonicContact OE1-NH2 2.69Å; E486-R490 PolarHBondContact OE1-NH2 2.96Å; E486-R490 IonicContact OE2-CZ 2.69Å; E486-R490 IonicContact OE2-NH2 3.75Å; E486-R490 PolarHBondContact OE2-NH2 2.92Å
487A96.8Very high95.7Very high45 Ų45105.6 Ų105.637%0.37250%0.503SS..Hα-helixtrans-62.1-43.6174.500000112.7K483 R490 M491K483-A487 WeakPolarHBondContact O-CB 3.22Å; K483-A487 PolarHBondContact O-N 3.07Å; A487-R490 PolarHBondContact O-N 3.11Å; A487-M491 PolarHBondContact O-N 2.77Å
488L96.3Very high95.9Very high108 Ų108104.7 Ų104.757%0.56550%0.5SS*.Hα-helixtrans-63-41.9173.6-80.1164.3000111.7Q484 I485 R490 M491 L492Q484-L488 HydrophobicContact CG-CD1 4.4Å; Q484-L488 WeakPolarHBondContact O-CB 3.37Å; Q484-L488 WeakPolarHBondContact O-CG 3.17Å; Q484-L488 PolarHBondContact O-N 3.28Å; I485-L488 PolarHBondContact O-N 3.17Å; L488-R490 VanDerWaalsContact C-N 3.34Å; L488-R490 PolarHBondContact O-N 2.87Å; L488-M491 PolarHBondContact O-N 3.47Å; L488-L492 WeakPolarHBondContact O-CB 3.33Å; L488-L492 PolarHBondContact O-N 3.37Å
489T96.6Very high96.1Very high52 Ų52104.3 Ų104.332%0.31950%0.501SS..Hα-helixtrans-63.2-40.3176-61.30000111.4I485 E486 L492 R493I485-T489 VanDerWaalsContact O-CB 3.27Å; I485-T489 WeakPolarHBondContact O-CB 3.34Å; I485-T489 PolarHBondContact O-N 2.82Å; I485-T489 PolarHBondContact O-OG1 3.16Å; E486-T489 PolarHBondContact O-N 3.29Å; T489-L492 PolarHBondContact O-N 2.75Å; T489-R493 WeakPolarHBondContact O-CG 3.45Å; T489-R493 PolarHBondContact O-N 2.86Å
490R98.1Very high96.3Very high117 Ų117103.9 Ų103.944%0.44250%0.499SS..Hα-helixtrans-64-46.2175.7-163.5-177.6-59.6124.3-2.8111.3E486 A487 L488 L492 R493 Q494E486-R490 WeakPolarHBondContact O-CB 3.19Å; E486-R490 PolarHBondContact O-N 3.4Å; E486-R490 IonicContact OE1-CZ 3Å; E486-R490 IonicContact OE1-NE 3.19Å; E486-R490 IonicContact OE1-NH2 2.69Å; E486-R490 PolarHBondContact OE1-NH2 2.96Å; E486-R490 IonicContact OE2-CZ 2.69Å; E486-R490 IonicContact OE2-NH2 3.75Å; E486-R490 PolarHBondContact OE2-NH2 2.92Å; A487-R490 PolarHBondContact O-N 3.11Å; L488-R490 VanDerWaalsContact C-N 3.34Å; L488-R490 PolarHBondContact O-N 2.87Å; R490-L492 PolarHBondContact O-N 3.01Å; R490-R493 PolarHBondContact O-N 3.44Å; R490-Q494 WeakPolarHBondContact O-CG 3.43Å; R490-Q494 PolarHBondContact O-N 2.81Å
491M97.4Very high96.4Very high93 Ų93107.7 Ų107.746%0.45851%0.51SS..Hα-helixtrans-63.8-38.9174.8-170.4-167.5-64.700112.1A487 L488 Q494 K495A487-M491 PolarHBondContact O-N 2.77Å; L488-M491 PolarHBondContact O-N 3.47Å; M491-Q494 PolarHBondContact O-N 3.41Å; M491-K495 HydrophobicContact CG-CD 4.5Å; M491-K495 WeakPolarHBondContact O-CG 3.16Å; M491-K495 PolarHBondContact O-N 3.32Å
492L97.5Very high96.4Very high117 Ų117106.8 Ų106.861%0.61351%0.509SS*.Hα-helixtrans-64.8-42.7176.7-176.361.6000111.5L488 T489 R490 K495 Q496L488-L492 WeakPolarHBondContact O-CB 3.33Å; L488-L492 PolarHBondContact O-N 3.37Å; T489-L492 PolarHBondContact O-N 2.75Å; R490-L492 PolarHBondContact O-N 3.01Å; L492-K495 PolarHBondContact O-N 3.49Å; L492-Q496 WeakPolarHBondContact O-CB 3.29Å; L492-Q496 PolarHBondContact O-N 3.24Å
493R95.8Very high96.5Very high172 Ų172109.4 Ų109.465%0.64952%0.517SS*.Hα-helixtrans-61-44.7173-73.4173.1-1771672.4111.9T489 R490 K495 Q496 Q497T489-R493 WeakPolarHBondContact O-CG 3.45Å; T489-R493 PolarHBondContact O-N 2.86Å; R490-R493 PolarHBondContact O-N 3.44Å; R493-K495 PolarHBondContact O-N 2.94Å; R493-Q496 PolarHBondContact O-N 3.47Å; R493-Q497 WeakPolarHBondContact O-CG 3.41Å; R493-Q497 PolarHBondContact O-N 3.37Å
494Q97Very high96.4Very high120 Ų120109.4 Ų109.456%0.56152%0.521SS*.Hα-helixtrans-60-44.4175.1-74.5174.7-25.200112.2R490 M491 Q496 Q497 L498R490-Q494 WeakPolarHBondContact O-CG 3.43Å; R490-Q494 PolarHBondContact O-N 2.81Å; M491-Q494 PolarHBondContact O-N 3.41Å; Q494-Q496 VanDerWaalsContact C-N 3.34Å; Q494-Q496 PolarHBondContact O-N 2.83Å; Q494-Q497 PolarHBondContact O-N 2.74Å; Q494-L498 PolarHBondContact O-N 3.48Å
495K95.4Very high96.2Very high124 Ų124109.9 Ų109.954%0.53952%0.523SS..Hα-helixtrans-63.6-38.9174.7-75178.3177176.50111.8M491 L492 R493 L498 V499M491-K495 HydrophobicContact CG-CD 4.5Å; M491-K495 WeakPolarHBondContact O-CG 3.16Å; M491-K495 PolarHBondContact O-N 3.32Å; L492-K495 PolarHBondContact O-N 3.49Å; R493-K495 PolarHBondContact O-N 2.94Å; K495-L498 PolarHBondContact O-N 2.89Å; K495-V499 WeakPolarHBondContact O-CG2 3.26Å; K495-V499 PolarHBondContact O-N 3.06Å
496Q96.2Very high95.9Very high116 Ų116110.7 Ų110.754%0.54253%0.528SS..Hα-helixtrans-65.3-42.4177.5-172.457.883.600112.3L492 R493 Q494 V499 E500L492-Q496 WeakPolarHBondContact O-CB 3.29Å; L492-Q496 PolarHBondContact O-N 3.24Å; R493-Q496 PolarHBondContact O-N 3.47Å; Q494-Q496 VanDerWaalsContact C-N 3.34Å; Q494-Q496 PolarHBondContact O-N 2.83Å; Q496-V499 PolarHBondContact O-N 2.95Å; Q496-E500 WeakPolarHBondContact O-CB 3.3Å; Q496-E500 PolarHBondContact O-N 3.38Å
497Q95.7Very high95.6Very high125 Ų125111.1 Ų111.158%0.58453%0.53SS*.Hα-helixtrans-65.3-36.3173.8-73.1175.6-27.300112.6R493 Q494 E500 R501R493-Q497 WeakPolarHBondContact O-CG 3.41Å; R493-Q497 PolarHBondContact O-N 3.37Å; Q494-Q497 PolarHBondContact O-N 2.74Å; Q497-E500 PolarHBondContact O-N 2.84Å; Q497-R501 WeakPolarHBondContact O-CB 3.46Å; Q497-R501 PolarHBondContact O-N 3.1Å
498L95.8Very high95.1Very high84 Ų84115.7 Ų115.744%0.4454%0.544SS..Hα-helixtrans-66-43.9174.3-179.760.6000111.4Q494 K495 E500 R501 L502Q494-L498 PolarHBondContact O-N 3.48Å; K495-L498 PolarHBondContact O-N 2.89Å; L498-E500 VanDerWaalsContact C-N 3.31Å; L498-E500 PolarHBondContact O-N 3.3Å; L498-R501 PolarHBondContact O-N 3.23Å; L498-L502 HydrophobicContact CD1-CD1 4.21Å; L498-L502 HydrophobicContact CD1-CG 4.31Å; L498-L502 HydrophobicContact CG-CD1 4.05Å; L498-L502 WeakPolarHBondContact O-CB 3.25Å; L498-L502 VanDerWaalsContact O-CG 3.28Å; L498-L502 WeakPolarHBondContact O-CG 3.47Å; L498-L502 PolarHBondContact O-N 2.67Å
499V97.3Very high94.3Very high87 Ų87115.5 Ų115.553%0.52754%0.54SS..Hα-helixtrans-62.2-38.9174.3169.40000111.3K495 Q496 L502 K503K495-V499 WeakPolarHBondContact O-CG2 3.26Å; K495-V499 PolarHBondContact O-N 3.06Å; Q496-V499 PolarHBondContact O-N 2.95Å; V499-L502 PolarHBondContact O-N 3.5Å; V499-K503 VanDerWaalsContact O-CB 3.31Å; V499-K503 WeakPolarHBondContact O-CB 3.4Å; V499-K503 PolarHBondContact O-N 3.49Å
500E96.7Very high93.6Very high129 Ų129120.7 Ų120.760%0.60356%0.558SS**Hα-helixtrans-64.5-46.6175.5-174.3174.4-167.400112.1Q496 Q497 L498 L502 K503 L504Q496-E500 WeakPolarHBondContact O-CB 3.3Å; Q496-E500 PolarHBondContact O-N 3.38Å; Q497-E500 PolarHBondContact O-N 2.84Å; L498-E500 VanDerWaalsContact C-N 3.31Å; L498-E500 PolarHBondContact O-N 3.3Å; E500-L502 PolarHBondContact O-N 3.42Å; E500-K503 PolarHBondContact O-N 3.18Å; E500-L504 PolarHBondContact O-N 3.27Å
501R95.2Very high92.2Very high169 Ų169125.2 Ų125.264%0.63858%0.576SS**Hα-helixtrans-58.8-47173.9-174-166.6-63.1162.9-1.5111.8Q497 L498 K503 L504 Q505Q497-R501 WeakPolarHBondContact O-CB 3.46Å; Q497-R501 PolarHBondContact O-N 3.1Å; L498-R501 PolarHBondContact O-N 3.23Å; R501-K503 VanDerWaalsContact C-N 3.33Å; R501-K503 PolarHBondContact O-N 2.95Å; R501-L504 PolarHBondContact O-N 3.45Å; R501-Q505 WeakPolarHBondContact O-CB 3.33Å; R501-Q505 PolarHBondContact O-N 3.5Å
502L95.9Very high90.7Very high84 Ų84124.9 Ų124.944%0.4459%0.587SS.*Hα-helixtrans-65.3-36.8179.2-71.3170.2000111.8L498 V499 E500 Q505 L506L498-L502 HydrophobicContact CD1-CD1 4.21Å; L498-L502 HydrophobicContact CD1-CG 4.31Å; L498-L502 HydrophobicContact CG-CD1 4.05Å; L498-L502 WeakPolarHBondContact O-CB 3.25Å; L498-L502 VanDerWaalsContact O-CG 3.28Å; L498-L502 WeakPolarHBondContact O-CG 3.47Å; L498-L502 PolarHBondContact O-N 2.67Å; V499-L502 PolarHBondContact O-N 3.5Å; E500-L502 PolarHBondContact O-N 3.42Å; L502-Q505 PolarHBondContact O-N 3.34Å; L502-L506 WeakPolarHBondContact O-CB 3.24Å; L502-L506 WeakPolarHBondContact O-CG 3.19Å; L502-L506 PolarHBondContact O-N 2.94Å
503K94.9Very high88.7Confident141 Ų141125.8 Ų125.861%0.61359%0.588SS**Hα-helixtrans-63.1-45.1172.7-174.6-167.5171.1-159.80111.4V499 E500 R501 Q505 L506 E507V499-K503 VanDerWaalsContact O-CB 3.31Å; V499-K503 WeakPolarHBondContact O-CB 3.4Å; V499-K503 PolarHBondContact O-N 3.49Å; E500-K503 PolarHBondContact O-N 3.18Å; R501-K503 VanDerWaalsContact C-N 3.33Å; R501-K503 PolarHBondContact O-N 2.95Å; K503-Q505 VanDerWaalsContact C-N 3.34Å; K503-L506 PolarHBondContact O-N 3.05Å; K503-E507 WeakPolarHBondContact O-CB 3.31Å; K503-E507 PolarHBondContact O-N 2.9Å
504L95.3Very high86.2Confident115 Ų115125.2 Ų125.260%0.60259%0.593SS**Hα-helixtrans-62.9-40.3176.5-179.163.5000111.7E500 R501 E507 Q508E500-L504 PolarHBondContact O-N 3.27Å; R501-L504 PolarHBondContact O-N 3.45Å; L504-E507 PolarHBondContact O-N 2.86Å; L504-Q508 WeakPolarHBondContact O-CB 3.45Å; L504-Q508 PolarHBondContact O-N 2.95Å
505Q92.3Very high83.8Confident108 Ų108125.4 Ų125.451%0.50561%0.605SS.*Hα-helixtrans-64.9-43.7176.7-172.9173.7-1800111.9R501 L502 K503 E507 Q508 E509R501-Q505 WeakPolarHBondContact O-CB 3.33Å; R501-Q505 PolarHBondContact O-N 3.5Å; L502-Q505 PolarHBondContact O-N 3.34Å; K503-Q505 VanDerWaalsContact C-N 3.34Å; Q505-E507 VanDerWaalsContact C-N 3.33Å; Q505-E507 PolarHBondContact O-N 2.94Å; Q505-Q508 PolarHBondContact O-N 2.95Å; Q505-E509 WeakPolarHBondContact O-CB 3.5Å; Q505-E509 PolarHBondContact O-N 3.4Å
506L91.1Very high81.1Confident112 Ų112124 Ų12459%0.58662%0.616SS**Hα-helixtrans-65.8-33173-73.5168.2000112.7L502 K503 K510L502-L506 WeakPolarHBondContact O-CB 3.24Å; L502-L506 WeakPolarHBondContact O-CG 3.19Å; L502-L506 PolarHBondContact O-N 2.94Å; K503-L506 PolarHBondContact O-N 3.05Å; L506-K510 WeakPolarHBondContact O-CB 3.49Å; L506-K510 PolarHBondContact O-N 2.72Å
507E90.8Very high78.6Confident116 Ų116124.9 Ų124.954%0.54263%0.632SS.*Hα-helixtrans-71-38.1174.8-169.2169.5101.200111.9K503 L504 Q505 K510 R511K503-E507 WeakPolarHBondContact O-CB 3.31Å; K503-E507 PolarHBondContact O-N 2.9Å; L504-E507 PolarHBondContact O-N 2.86Å; Q505-E507 VanDerWaalsContact C-N 3.33Å; Q505-E507 PolarHBondContact O-N 2.94Å; E507-K510 PolarHBondContact O-N 3.4Å; E507-R511 WeakPolarHBondContact O-CB 3.43Å; E507-R511 PolarHBondContact O-N 3.5Å
508Q85Confident75.7Confident141 Ų141123.6 Ų123.666%0.65964%0.643SS**Hα-helixtrans-63.3-45.4171.7-173.5-17940.100111.4L504 Q505 R511 A512L504-Q508 WeakPolarHBondContact O-CB 3.45Å; L504-Q508 PolarHBondContact O-N 2.95Å; Q505-Q508 PolarHBondContact O-N 2.95Å; Q508-R511 WeakPolarHBondContact O-CB 3.32Å; Q508-R511 PolarHBondContact O-N 3.18Å; Q508-A512 PolarHBondContact O-N 2.91Å
509E79.9Confident73.1Confident103 Ų103125.8 Ų125.848%0.48166%0.662SS.*Hα-helixtrans-62.2-46.4176.1-165.4-167.4114.500111.4Q505 R511 A512 Q513Q505-E509 WeakPolarHBondContact O-CB 3.5Å; Q505-E509 PolarHBondContact O-N 3.4Å; E509-R511 PolarHBondContact O-N 3.41Å; E509-A512 WeakPolarHBondContact O-CB 3.45Å; E509-A512 PolarHBondContact O-N 3.16Å; E509-Q513 WeakPolarHBondContact O-CG 3.22Å; E509-Q513 PolarHBondContact O-N 3.18Å; E509-Q513 PolarHBondContact OE1-NE2 3.34Å
510K81.9Confident70.2Confident162 Ų162126 Ų12670%0.70467%0.673SS**Hα-helixtrans-58.8-34.1174-178.3-176.8175.5-172.70112.5L506 E507L506-K510 WeakPolarHBondContact O-CB 3.49Å; L506-K510 PolarHBondContact O-N 2.72Å; E507-K510 PolarHBondContact O-N 3.4Å
511R68.4Low68.1Low212 Ų212125.2 Ų125.280%0.868%0.679SS**Hα-helixtrans-73.8-34.8174.6-169.8179.5-178.1112.13.4112.2E507 Q508 E509 Q513E507-R511 WeakPolarHBondContact O-CB 3.43Å; E507-R511 PolarHBondContact O-N 3.5Å; Q508-R511 WeakPolarHBondContact O-CB 3.32Å; Q508-R511 PolarHBondContact O-N 3.18Å; E509-R511 PolarHBondContact O-N 3.41Å; R511-Q513 VanDerWaalsContact C-N 3.33Å
512A66.9Low65Low85 Ų85125.6 Ų125.670%0.70269%0.693SS**Hα-helixtrans-70.8-25.7176.600000113.2Q508 E509 Q514Q508-A512 PolarHBondContact O-N 2.91Å; E509-A512 WeakPolarHBondContact O-CB 3.45Å; E509-A512 PolarHBondContact O-N 3.16Å; A512-Q514 VanDerWaalsContact C-N 3.33Å; A512-Q514 PolarHBondContact O-N 3.26Å
513Q55.7Low61.9Low136 Ų136125 Ų12564%0.63671%0.707SS**THydrogen-bonded Turntrans-8716.5178.5-65.9-172.650.100114.8E509 R511 P515E509-Q513 WeakPolarHBondContact O-CG 3.22Å; E509-Q513 PolarHBondContact O-N 3.18Å; E509-Q513 PolarHBondContact OE1-NE2 3.34Å; R511-Q513 VanDerWaalsContact C-N 3.33Å; Q513-P515 WeakPolarHBondContact O-CD 3.02Å
514Q42.7Very low58.9Low161 Ų161125 Ų12575%0.75272%0.719SS**  trans-91.8112.5172.6-81.9-89.3-60.200111.1A512A512-Q514 VanDerWaalsContact C-N 3.33Å; A512-Q514 PolarHBondContact O-N 3.26Å
515P46.6Very low56.9Low123 Ų123124.8 Ų124.880%0.79973%0.725SS**PPolyproline II helixtrans-82.4139.9-178.332.3-34.6000113.1Q513Q513-P515 WeakPolarHBondContact O-CD 3.02Å
516A39.6Very low53.8Low95 Ų95125.8 Ų125.879%0.78574%0.738SS**PPolyproline II helixtrans-96.7150.7171.500000111.8
517P43.7Very low50.8Low134 Ų134130 Ų13087%0.8775%0.751SS**PPolyproline II helixtrans-90.9138.2-171.734.2-34.7000114.6
518A34.2Very low48.1Very low98 Ų98133.6 Ų133.681%0.8177%0.768SS**  trans-151.7158167.800000110.8
519P41.4Very low45.4Very low130 Ų130135 Ų13584%0.84478%0.775SS**  trans-95.8164.1-161.636.8-37000116.7
520A35.9Very low42.9Very low92 Ų92136.6 Ų136.676%0.7679%0.787SS**  trans-89.6173.8169.500000112
521P51.9Low40.4Very low113 Ų113133.6 Ų133.673%0.73479%0.786SS**  -159.9-177.184.545.4-25.8000118.4
522L31.2Very low39Very low176 Ų176132.6 Ų132.692%0.92179%0.788SS**  trans70.7130.4153.6-72.3167.5000122.4
523G31Very low37.2Very low72 Ų72134.5 Ų134.574%0.74280%0.796SS**  trans139.8116.1153.400000116.9
524T31.1Very low36.7Very low141 Ų141133.3 Ų133.387%0.86580%0.803SS**  trans-147.2177.3171.867.80000109.4
525P53.2Low35.8Very low111 Ų111131.3 Ų131.372%0.72181%0.805SS**  cis-130.6175.5-740.4-24.7000114.6
526V27.1Very low35.3Very low129 Ų129133.3 Ų133.378%0.78280%0.804SS**  172115.8128.5152.50000112.1
527K28.5Very low34.8Very low200 Ų200136.9 Ų136.987%0.8781%0.809SS**  trans43.894.8143.1-164.3-178.9-177.9178.30120
528Q33.8Very low34.2Very low192 Ų192135 Ų13590%0.89780%0.799SS**  -157.7142.1105.1-166.8155-4.500112
529E28.6Very low34Very low171 Ų171139.6 Ų139.680%0.79980%0.804SS**  trans-71.4154.3172-99.1173.783.500112.4
530N28.5Very low33.4Very low136 Ų136140.3 Ų140.373%0.72780%0.796SS**  cis-143.9156.9-5.4-161.80.7000108.9
531S27.9Very low33.4Very low98 Ų98139.6 Ų139.669%0.68578%0.783SS**  trans-138.6163.7-172.8-83.50000113.8
532F38.6Very low32.2Very low191 Ų191140.9 Ų140.984%0.83878%0.783SS**  trans-40.1151175.1-41.4-97.4000115
533S30.8Very low31.9Very low126 Ų126135.5 Ų135.588%0.88177%0.77SS**  -178.7163.7112.7-83.10000115.1
534S44.5Very low32.1Very low111 Ų111138.5 Ų138.578%0.77678%0.777SS**  trans-84.7146.9173.1175.10000112.8
535C24.1Very low31.8Very low119 Ų119136.1 Ų136.180%0.80477%0.771SS**  trans-151.1130.1159.6-93.10000107.6
536Q35Very low30.7Very low165 Ų165138.1 Ų138.177%0.77177%0.771SS**  86.5106.455-75.7-83.935.400113.8
537L29.3Very low31.1Very low169 Ų169137.5 Ų137.589%0.88577%0.769SS**  trans151.5154.3150.3-104.561.6000110
538S31.1Very low31Very low96 Ų96136.2 Ų136.267%0.67176%0.764SS**  cis-179.1138.4-36.4173.80000108.7
539Q29.6Very low31.1Very low193 Ų193134.5 Ų134.590%0.90276%0.761SS**  -174.2171.8128.3-104.5176.911500114.6
540Q30.2Very low31.7Very low145 Ų145132.2 Ų132.268%0.67876%0.761SS**  trans-85.5172.8-162.1-134.9175.110.500113.3L542Q540-L542 VanDerWaalsContact CD-CD1 3.49Å; Q540-L542 HydrophobicContact CG-CD1 4.42Å; Q540-L542 VanDerWaalsContact OE1-CD1 3.29Å
541P34.4Very low31.5Very low77 Ų77131.5 Ų131.550%0.577%0.767SS.*  -136.8162.18437.5-24.7000115.2
542L27.9Very low31.8Very low140 Ų140134.8 Ų134.873%0.73378%0.776SS**  trans-72.8151.9176.8-67.289.9000112.7Q540Q540-L542 VanDerWaalsContact CD-CD1 3.49Å; Q540-L542 HydrophobicContact CG-CD1 4.42Å; Q540-L542 VanDerWaalsContact OE1-CD1 3.29Å
543G24.5Very low31.3Very low63 Ų63130.1 Ų130.165%0.64977%0.773SS**  trans-126.614715000000109
544P34.8Very low31.2Very low136 Ų136128.5 Ų128.588%0.88377%0.767SS**  trans-80.9136.9-165.6-11.128.2000113.1
545A26.1Very low31.1Very low90 Ų90129 Ų12974%0.74477%0.767SS**  trans-104.7111.216700000110.2
546H30.3Very low31.2Very low154 Ų154127.3 Ų127.371%0.71376%0.762SS**  trans-145101.8162.8-105.8-54.8000110.8F548H546-F548 AromaticContact CE1-CE2 3.29Å; H546-F548 WeakPolarHBondContact CE1-CE2 3.34Å; H546-F548 AromaticContact CE1-CZ 3.78Å; H546-F548 AromaticContact ND1-CD2 3.64Å; H546-F548 AromaticContact ND1-CE2 3.4Å; H546-F548 WeakPolarHBondContact ND1-CE2 3.31Å
547P33.8Very low30.9Very low115 Ų115125.4 Ų125.475%0.74776%0.762SS**  trans-109.9113.5145.532.1-22.9000108.8
548F27.8Very low30.8Very low174 Ų174124.4 Ų124.476%0.76376%0.757SS**  trans-77.8124.3167.1-91.3-85.9000109.4H546H546-F548 AromaticContact CE1-CE2 3.29Å; H546-F548 WeakPolarHBondContact CE1-CE2 3.34Å; H546-F548 AromaticContact CE1-CZ 3.78Å; H546-F548 AromaticContact ND1-CD2 3.64Å; H546-F548 AromaticContact ND1-CE2 3.4Å; H546-F548 WeakPolarHBondContact ND1-CE2 3.31Å
549N34.8Very low30.6Very low156 Ų156127.3 Ų127.383%0.83476%0.76SS**  trans-69.7149.2162-72-48000109.9
550P41.4Very low30.6Very low122 Ų122125.4 Ų125.479%0.79275%0.754SS**  trans-136.5129.9133.235.1-23.2000112.9
551S25.5Very low30.6Very low122 Ų122124.6 Ų124.685%0.85376%0.755SS**  trans-154.1160.4143.9-160.70000110.3
552L32.2Very low31.4Very low167 Ų167125.8 Ų125.887%0.87476%0.762SS**  trans-92.4172.8-163.1-93.671.8000114.4
553A28.6Very low31.3Very low93 Ų93124.9 Ų124.977%0.76977%0.766SS**  trans-67.4157.6-179.700000115.1
554A28.3Very low31.4Very low92 Ų92125.9 Ų125.976%0.7677%0.768SS**  trans1156.113800000119.3
555P43.5Very low31.1Very low120 Ų120126.5 Ų126.578%0.77977%0.769SS**  cis-148165.835.641.6-20.7000121
556A27.1Very low31.1Very low85 Ų85126.2 Ų126.270%0.70277%0.767SS**  trans4.2145.4152.400000122.8
557T28.2Very low31.6Very low124 Ų124124.8 Ų124.876%0.76177%0.771SS**  -172.5149.6101.722.50000114.3
558N26.8Very low31.2Very low148 Ų148122.7 Ų122.779%0.79177%0.771SS**  trans20.8128.3153.9-46.5-30.3000120.4
559H26.2Very low32.5Very low158 Ų158120.4 Ų120.473%0.73177%0.774SS**  cis90.1115.335.9-170.9-66.6000115.8
560I30.4Very low32.6Very low153 Ų153118.6 Ų118.679%0.78577%0.77SS**  trans170.2108.2145.2-88.2152.7000106.5
561D29Very low31.9Very low128 Ų128117.9 Ų117.968%0.68477%0.768SS**  67.1152.572-13236.3000113.5
562P51.3Low31.9Very low102 Ų102118.4 Ų118.466%0.66277%0.766SS**  cis-144.2-179.921.344.7-24.9000120.3
563C27.5Very low31.6Very low120 Ų120116.8 Ų116.881%0.81176%0.763SS**  trans87.4135.3157.1-65.60000119.5
564A26.2Very low31.5Very low84 Ų84119 Ų11969%0.69477%0.767SS**  cis-164.7146.9-9.900000114.5
565V27.5Very low31.4Very low149 Ų149122 Ų12290%0.90376%0.762SS**  trans71.8145.4150.2171.60000119.9
566A27.2Very low30.5Very low85 Ų85123 Ų12370%0.70276%0.757SS**  trans-108.5-159.7-178.700000110.1
567P39.3Very low30.3Very low123 Ų123125.9 Ų125.980%0.79976%0.756SS**  cis-140.5174.9-3.143.4-25.4000117.2
568G26.5Very low30Very low72 Ų72124 Ų12474%0.74275%0.752SS**  trans95.4135.6145.200000119.1
569P54.8Low29.7Very low126 Ų126124.4 Ų124.482%0.81875%0.754SS**  trans-97.4171.1174.240.2-35.9000112.9
570P37.9Very low29.5Very low117 Ų117125.3 Ų125.376%0.7676%0.758SS**  -154.8179.9103.141.6-24.6000116.7
571S25.1Very low29.8Very low107 Ų107123.1 Ų123.175%0.74875%0.754SS**  trans67.3125.3156.7-710000119.2
572V25.4Very low29.5Very low133 Ų133124.6 Ų124.681%0.80676%0.757SS**  77.510960.2173.10000113.2
573V27Very low28.4Very low133 Ų133125 Ų12581%0.80676%0.76SS**  -169.2135.3118.1149.60000108.7
574V25.8Very low28.1Very low141 Ų141125.7 Ų125.786%0.85575%0.751SS**  trans-117.4157.3160.7172.70000106.3
575K26.7Very low28.6Very low153 Ų153127.1 Ų127.167%0.66575%0.753SS**  trans108100.6155.9-160.6170.2-175.1-172.40117.7
576Q25.6Very low28.3Very low142 Ų142125.1 Ų125.166%0.66474%0.741SS**  53.9145.9107.9-150.2-174.4-19.200120.8
577E21.5Very low28.7Very low145 Ų145126.8 Ų126.868%0.67875%0.745SS**  trans99.1104.4140.9-140134.491.900121.4
578A21.9Very low27.9Very low84 Ų84125.2 Ų125.269%0.69474%0.742SS**  72.1144.1126.700000125.5
579L20.9Very low28.5Very low158 Ų158127.1 Ų127.183%0.82774%0.742SS**  trans58.6109.8146.6-96.974.3000122.4
580Q22.7Very low27.1Very low176 Ų176129 Ų12982%0.82274%0.739SS**  trans58.7170.4131.3-72-120.7-40.200120.2
581P35.4Very low26.5Very low107 Ų107129.8 Ų129.870%0.69574%0.736SS**  cis-125.1-161.8-11.634.5-13.2000114.1
582E23.7Very low26.4Very low159 Ų159131.5 Ų131.574%0.74374%0.737SS**  trans-11.8159.2154-112.6-132.3114.400120.1E584E582-E584 PolarHBondContact OE1-N 3.26Å; E582-E584 VanDerWaalsContact OE1-N 3.15Å
583P27.9Very low26.4Very low111 Ų111132.8 Ų132.872%0.72174%0.738SS**  cis-148.6175.340.442.3-21000121.7
584E21.5Very low26.2Very low134 Ų134129.1 Ų129.163%0.62673%0.727SS**  trans-79167.8166.7-141.8-148.3128.400113.1E582 V586E582-E584 PolarHBondContact OE1-N 3.26Å; E582-E584 VanDerWaalsContact OE1-N 3.15Å; E584-V586 WeakPolarHBondContact OE1-CG2 3.25Å; E584-V586 PolarHBondContact OE1-N 2.98Å
585P36.1Very low27.2Very low114 Ų114128 Ų12874%0.7472%0.723SS**  -159.3148.279.440.2-18000120.8
586V20.9Very low27.2Very low108 Ų108129.2 Ų129.266%0.65573%0.731SS**  42.2130.8120.2-164.20000118.7E584E584-V586 WeakPolarHBondContact OE1-CG2 3.25Å; E584-V586 PolarHBondContact OE1-N 2.98Å
587P36Very low27.3Very low120 Ų120125.6 Ų125.678%0.77973%0.731SS**  cis-1471674941.2-21.3000120.2
588A23.5Very low28.5Very low90 Ų90124.4 Ų124.474%0.74474%0.736SS**  trans-96.5170167.900000113.2
589P38.6Very low28.8Very low112 Ų112125.1 Ų125.173%0.72774%0.736SS**  -150.5133.4104.738.8-21.3000114.7
590Q25.9Very low29.4Very low164 Ų164124.7 Ų124.777%0.76673%0.734SS**  100140.677.2-81.9-166.279.600117.6
591L24.6Very low30Very low134 Ų134123.3 Ų123.370%0.70273%0.731SS**  trans79.2110.9144.1-70.1165.5000124.1
592L23.4Very low29.8Very low144 Ų144128 Ų12875%0.75474%0.74SS**  67.1118.9105.7-157.384.7000121.9
593L25.8Very low30Very low159 Ų159123.7 Ų123.783%0.83274%0.738SS**  -178.1155.7118.1-121.879.4000114
594G21.3Very low30.1Very low57 Ų57125.6 Ų125.659%0.58875%0.748SS**  trans-116.4-150.6150.800000109
595P46.8Very low30.8Very low117 Ų117123.3 Ų123.376%0.7675%0.752SS**  cis-135.1-142-6.943.1-24.1000112
596Q26.7Very low30.8Very low179 Ų179123.4 Ų123.484%0.83675%0.752SS**  trans103.3139164.4-54.2-67.629.100119
597G28.9Very low32Very low65 Ų65124.3 Ų124.367%0.6776%0.76SS**  trans-128.2-15016100000109.4
598P45.5Very low32.1Very low120 Ų120124.7 Ų124.778%0.77976%0.761SS**  cis-140.1-176.23.242.2-24000116.1
599S29.3Very low33Very low99 Ų99125.4 Ų125.469%0.69275%0.751SS**  trans99.9127.2136.880.90000123
600L33.1Very low33.4Very low150 Ų150125.9 Ų125.979%0.78575%0.746SS**  trans95.6123.2139-72.4161000123.7
601I35.6Very low34.5Very low147 Ų147121.3 Ų121.375%0.75473%0.73SS**  trans76.3101.214763.8170.9000124.3
602K30.2Very low36Very low206 Ų206119 Ų11990%0.89672%0.718SS**  78120.5115.2-166.2179.2-175.1179.10118.4
603G28Very low37.2Very low67 Ų67118.1 Ų118.169%0.69172%0.724SS**  cis130.9113.4-7.800000114.2
604V29.9Very low38.8Very low152 Ų152115.9 Ų115.992%0.92172%0.717SS**  trans-143.1146.5167.1179.10000107.7
605A37.4Very low40.7Very low86 Ų86115.7 Ų115.771%0.71172%0.715SS**PPolyproline II helixtrans-103.1158.3-172.300000113.5
606P35.9Very low41.3Very low115 Ų115113.9 Ų113.975%0.74770%0.702SS**PPolyproline II helixtrans-69.2159.8171.930.4-36.3000112.6
607P45Very low42.3Very low128 Ų128110.9 Ų110.983%0.83169%0.688SS**PPolyproline II helixtrans-73.6140.7-174.829.6-35.5000113.6
608T39Very low43.4Very low128 Ų128113.9 Ų113.979%0.78569%0.687SS**PPolyproline II helixtrans-75.9131.6178.2-44.70000111.9
609L42.6Very low43.4Very low105 Ų105113.3 Ų113.355%0.5568%0.682SS.*PPolyproline II helixtrans-78.2133164.6-67173.9000110V619L609-V619 HydrophobicContact CD2-CG2 3.92Å
610I47.1Very low44Very low121 Ų121115.8 Ų115.862%0.62169%0.686SS**EExtended strand (participates in β ladder)trans-111.9132.7167.8-58.4178.1000107.7L618I610-L618 PolarHBondContact O-N 3.26Å
611T48.1Very low44.3Very low68 Ų68114.2 Ų114.242%0.41768%0.683SS.*EExtended strand (participates in β ladder)trans-110.4132.4177.9-30.50000109T616 H617T611-T616 WeakPolarHBondContact CA-O 3.45Å; T611-H617 PolarHBondContact OG1-CE1 3.4Å; T611-H617 PolarHBondContact OG1-ND1 3.32Å
612D56.7Low44.3Very low86 Ų86112.7 Ų112.746%0.4668%0.681SS.*  trans-70.8159.5167.3-172.9-87.2000110.6T614 G615 T616D612-T614 PolarHBondContact O-N 3.09Å; D612-T614 VanDerWaalsContact O-N 3.09Å; D612-T614 WeakPolarHBondContact OD1-CB 3.43Å; D612-T614 WeakPolarHBondContact OD1-CG2 3.31Å; D612-T614 PolarHBondContact OD1-N 3.32Å; D612-T614 PolarHBondContact OD1-OG1 2.98Å; D612-G615 PolarHBondContact O-N 3.22Å; D612-T616 PolarHBondContact N-O 2.93Å
613S47.6Very low44.6Very low126 Ų126109 Ų10988%0.88168%0.676SS**THydrogen-bonded Turntrans-59.5-15.617355.50000113.9
614T60.3Low44.8Very low112 Ų112112.8 Ų112.869%0.68768%0.68SS**THydrogen-bonded Turntrans-88.95.1172.1580000114.5D612D612-T614 PolarHBondContact O-N 3.09Å; D612-T614 VanDerWaalsContact O-N 3.09Å; D612-T614 WeakPolarHBondContact OD1-CB 3.43Å; D612-T614 WeakPolarHBondContact OD1-CG2 3.31Å; D612-T614 PolarHBondContact OD1-N 3.32Å; D612-T614 PolarHBondContact OD1-OG1 2.98Å
615G60.4Low45.1Very low52 Ų52115 Ų11554%0.53668%0.677SS.*SBendtrans82.89169.900000116D612D612-G615 PolarHBondContact O-N 3.22Å
616T59.5Low44.8Very low80 Ų80118.5 Ų118.549%0.49168%0.684SS.*  trans-87.8126.9173.332.40000111.5T611 D612T611-T616 WeakPolarHBondContact CA-O 3.45Å; D612-T616 PolarHBondContact N-O 2.93Å
617H48.6Very low44.7Very low116 Ų116117.5 Ų117.554%0.53769%0.685SS.*EExtended strand (participates in β ladder)trans-90.8122.9171.1-63.9-77.5000110T611T611-H617 PolarHBondContact OG1-CE1 3.4Å; T611-H617 PolarHBondContact OG1-ND1 3.32Å
618L51.6Low44.1Very low127 Ų127118.9 Ų118.967%0.66569%0.685SS**EExtended strand (participates in β ladder)trans-105.4116.5177.8-67.8173.7000110.9I610 L620I610-L618 PolarHBondContact O-N 3.26Å; L618-L620 PolarHBondContact O-N 3.25Å
619V44.9Very low44Very low108 Ų108117.2 Ų117.266%0.65568%0.679SS**  trans-89.7103.8176.4-176.50000109.7L609 T621L609-V619 HydrophobicContact CD2-CG2 3.92Å; V619-T621 HydrophobicContact CG1-CG2 4.39Å; V619-T621 PolarHBondContact O-N 3.21Å
620L41.6Very low44.1Very low152 Ų152118 Ų11880%0.79669%0.691SS**  trans-81.690.3179.5-80.5157.7000112L618 V622L618-L620 PolarHBondContact O-N 3.25Å; L620-V622 PolarHBondContact O-N 3.35Å; L620-V622 VanDerWaalsContact O-N 3.14Å
621T40.6Very low43.1Very low117 Ų117115.5 Ų115.572%0.71870%0.695SS**  trans-79.785.3172.640.20000112.1V619 T623V619-T621 HydrophobicContact CG1-CG2 4.39Å; V619-T621 PolarHBondContact O-N 3.21Å; T621-T623 PolarHBondContact O-N 2.97Å; T621-T623 VanDerWaalsContact O-N 3.1Å
622V36Very low42.2Very low115 Ų115120.3 Ų120.370%0.69772%0.717SS**  trans-67.7106.8175-178.90000110.7L620 N624L620-V622 PolarHBondContact O-N 3.35Å; L620-V622 VanDerWaalsContact O-N 3.14Å; V622-N624 WeakPolarHBondContact CG1-OD1 3.5Å
623T36.8Very low40.9Very low129 Ų129121.8 Ų121.879%0.79173%0.734SS**  trans-102.388.3172.843.40000110.8T621 K625T621-T623 PolarHBondContact O-N 2.97Å; T621-T623 VanDerWaalsContact O-N 3.1Å; T623-K625 PolarHBondContact O-N 2.8Å
624N32.1Very low39.9Very low146 Ų146121.7 Ų121.778%0.78173%0.733SS**  trans-68.2124.2174.9-78-11.4000111.4V622V622-N624 WeakPolarHBondContact CG1-OD1 3.5Å
625K36.2Very low38.4Very low197 Ų197120.2 Ų120.286%0.85774%0.74SS**  trans-145.4128.2153.552.5-177.1174.7-178.40111T623T623-K625 PolarHBondContact O-N 2.8Å
626N29.8Very low36.9Very low161 Ų161123.2 Ų123.286%0.86175%0.753SS**  trans-66.3129.4179.4-63.5-24.7000109
627A34Very low36.2Very low93 Ų93124.5 Ų124.577%0.76976%0.763SS**  92.1111.67100000112.6
628D31.7Very low35.3Very low157 Ų157128 Ų12884%0.8478%0.779SS**  -146-169.8127-144.5-49.9000108.3
629S38Very low34.2Very low94 Ų94130.5 Ų130.566%0.65779%0.788SS**  trans-138.1-169.9-144.862.80000113.2
630P43.6Very low33.8Very low121 Ų121131.4 Ų131.479%0.78680%0.795SS**  -128.2176.9-53.932.1-15.6000113.4
631G27Very low33Very low69 Ų69129 Ų12971%0.71179%0.792SS**  trans133.397.8164.100000113.4
632L29.3Very low32.5Very low169 Ų169128.4 Ų128.489%0.88579%0.792SS**  cis99137.346.5-73.9179.1000113.9
633S28.4Very low32.3Very low116 Ų116131.6 Ų131.681%0.81180%0.8SS**  trans64.6123.4-179.9-72.80000117
634S26.4Very low32.6Very low125 Ų125131.5 Ų131.587%0.87480%0.801SS**  cis87.9129.238.9-170.70000113.2
635G29.3Very low32.4Very low80 Ų80127.5 Ų127.583%0.82579%0.794SS**  trans151.7104.6174.700000115
636S28.6Very low32.1Very low115 Ų115124 Ų12480%0.80479%0.794SS**  trans-157.9155166.9-175.10000106.7
637P46.7Very low33Very low107 Ų107122.5 Ų122.570%0.69579%0.793SS**  cis-126.7-158.8-523.71.7000112.6
638Q28Very low32.8Very low190 Ų190122.5 Ų122.589%0.88879%0.793SS**  trans111148.7148.4-64.3-164.6-22.200121.1
639Q28.8Very low33.5Very low180 Ų180121.2 Ų121.284%0.84179%0.794SS**  trans-89.7167175.4-129.9-179.6-3.900109.9
640P36.8Very low33.1Very low126 Ų126121 Ų12182%0.81880%0.798SS**  -153.4-164.576.240.7-18.6000116.5
641S25.6Very low33.4Very low103 Ų103120.8 Ų120.872%0.7280%0.796SS**  trans-85.2157.1-171165.80000115.9
642S29.8Very low33.6Very low104 Ų104123.1 Ų123.173%0.72780%0.802SS**  160.5128.6111.1-66.30000118
643Q31.1Very low33.8Very low182 Ų182119.5 Ų119.585%0.8580%0.796SS**  trans57.7177.9146.7-97.7-169-28.400120.3
644P43.9Very low33.9Very low127 Ų127121.9 Ų121.983%0.82579%0.794SS**  cis-100.5-157.82.144.5-36.8000113
645G26.6Very low34.1Very low61 Ų61124.1 Ų124.163%0.62979%0.793SS**  cis-175.8-168.54.400000114.5
646S31.6Very low33.9Very low123 Ų123127.4 Ų127.486%0.8679%0.792SS**  trans-150.2166.8177.1-46.30000110.8
647P47.3Very low34.1Very low130 Ų130128.5 Ų128.584%0.84479%0.788SS**  -147.5-177.77639.2-19.2000116.5
648A30.4Very low33.2Very low93 Ų93130.4 Ų130.477%0.76979%0.788SS**  trans-111.3-162.2174.700000110.7
649P46.2Very low33.2Very low130 Ų130129 Ų12984%0.84478%0.781SS**  cis-139.7-162.123.742.8-20.1000116.8
650A29.2Very low34.1Very low91 Ų91125.5 Ų125.575%0.75277%0.774SS**  trans-101.6-152.3-174.600000112.7
651P50.6Low33.6Very low115 Ų115127.5 Ų127.575%0.74778%0.777SS**  cis-144.3170.313.144.4-23.4000120.6
652S31.2Very low33.6Very low119 Ų119131.2 Ų131.283%0.83278%0.782SS**  trans33.7134.6143.9-50.90000125.4
653A33.8Very low34.8Very low93 Ų93131.2 Ų131.277%0.76978%0.78SS**  164.4130.193.800000117.3
654Q30.1Very low34.6Very low165 Ų165129.9 Ų129.977%0.77178%0.778SS**  trans57.5135.5138.8-167.5177.6-29.200123.7
655M30.3Very low33.8Very low172 Ų172133.5 Ų133.585%0.84778%0.781SS**  168.4169.6128.7-84.4-52.8175.700111.5
656D26.3Very low33.8Very low149 Ų149134.4 Ų134.480%0.79779%0.791SS**  trans-128.6172.2-163.9175.946.6000114.1
657L32.7Very low33.7Very low138 Ų138135.4 Ų135.472%0.72379%0.791SS**  trans121.2120.6143.2-156.669.8000120.4
658E27.4Very low33.5Very low147 Ų147134.7 Ų134.769%0.68779%0.787SS**  trans58.7123.5150.3-71.1-79.271.700125.8
659H28.6Very low33.4Very low162 Ų162136.6 Ų136.675%0.7579%0.789SS**  13.8171.7122.5-78.7-24.4000124.4
660P46.8Very low32.8Very low106 Ų106136.3 Ų136.369%0.68879%0.79SS**  cis-134.8-179.4-7.435.4-16.1000115.8
661L26.6Very low33Very low168 Ų168138.9 Ų138.988%0.8879%0.791SS**  179.9160.3118.1-95.9173.8000114.2
662Q26.1Very low32.2Very low180 Ų180141.6 Ų141.684%0.84180%0.798SS**  trans-142.8170-172.4-93.3-91.5-39.400111.6
663P54.4Low32.3Very low105 Ų105144.7 Ų144.768%0.68280%0.797SS**  trans-103176.1-154.140.4-37.8000116.7
664L25.9Very low32.5Very low154 Ų154150.3 Ų150.381%0.80680%0.804SS**  trans-151.7121.3173.6-151.976.5000115.9
665F27.2Very low32.8Very low203 Ų203150.5 Ų150.589%0.8981%0.805SS**  trans25.6143.8148-67.1-108.4000124.3
666G26.6Very low33.3Very low80 Ų80147.6 Ų147.683%0.82580%0.798SS**  trans174.5116.8155.400000117.8
667T30.9Very low34.3Very low143 Ų143145.6 Ų145.688%0.87779%0.794SS**  trans-105.7175.5167.925.70000110.2
668P42.2Very low34.9Very low115 Ų115141.8 Ų141.875%0.74779%0.787SS**  cis-154.9-171.635.645.9-22.3000120.4
669T28.9Very low35.4Very low133 Ų133144.8 Ų144.882%0.81679%0.794SS**  trans-22.6152.116557.90000122.5
670S34.1Very low36.5Very low125 Ų125144.3 Ų144.387%0.87479%0.792SS**  -170.9159.3111.7-157.60000116.6
671L33.3Very low36.8Very low144 Ų144146.5 Ų146.575%0.75479%0.793SS**  trans-75.7149.8-173.8-119.2160.2000116.5
672L31.8Very low37.7Very low173 Ų173143 Ų14391%0.90679%0.789SS**  trans-164.8166.5134.6-114.8171.7000113.2
673K34.8Very low38.5Very low184 Ų184140.8 Ų140.880%0.878%0.78SS**  trans-120.5143.6-176.5-67.1179.8176.3-179.10112.7
674K36.6Very low38.3Very low211 Ų211140.6 Ų140.692%0.91778%0.781SS**  trans-154.8166.3152.4-154.277.1-177.1-168.70110.2
675E36.5Very low38.9Very low169 Ų169141.9 Ų141.979%0.7978%0.783SS**PPolyproline II helixtrans-97.2154.6-169.3-174.4178.2-176.300112
676P40.7Very low39.2Very low110 Ų110141 Ų14171%0.71478%0.782SS**PPolyproline II helixtrans-72.7159.817430.7-36.3000113.3
677P48.8Very low39.9Very low108 Ų108142.3 Ų142.370%0.70178%0.776SS**PPolyproline II helixtrans-68.9158.2-173.5-20.734.3000115.7
678G45Very low39.7Very low57 Ų57145.5 Ų145.559%0.58878%0.777SS**PPolyproline II helixtrans-89.4161.2-178.500000115E680 E681G678-E680 VanDerWaalsContact C-N 3.29Å; G678-E680 PolarHBondContact O-N 2.76Å; G678-E680 VanDerWaalsContact O-N 3.12Å; G678-E681 PolarHBondContact O-N 3.32Å
679Y37.3Very low39.6Very low210 Ų210149.7 Ų149.782%0.82479%0.787SS**G310 helixtrans-60.1-20.9-169.5179.2-101.8000116.5E681Y679-E681 PolarHBondContact O-N 2.73Å
680E51.8Low39.7Very low152 Ų152151.6 Ų151.671%0.7179%0.786SS**G310 helixtrans-72-25-179.4-67.6-162.6133.400114.2G678 A682 M683G678-E680 VanDerWaalsContact C-N 3.29Å; G678-E680 PolarHBondContact O-N 2.76Å; G678-E680 VanDerWaalsContact O-N 3.12Å; E680-A682 PolarHBondContact O-N 3.09Å; E680-A682 VanDerWaalsContact O-N 3.14Å; E680-M683 WeakPolarHBondContact O-CG 3.17Å; E680-M683 PolarHBondContact O-N 2.59Å
681E52.5Low39.8Very low152 Ų152153 Ų15371%0.7178%0.78SS**G310 helixtrans-69.6-14.8-174.6-161.7164.7-158.800112.9G678 Y679G678-E681 PolarHBondContact O-N 3.32Å; Y679-E681 PolarHBondContact O-N 2.73Å
682A47Very low40Very low96 Ų96153.3 Ų153.379%0.79378%0.782SS**G310 helixtrans-81.7-11.8179.100000114.9E680E680-A682 PolarHBondContact O-N 3.09Å; E680-A682 VanDerWaalsContact O-N 3.14Å
683M42.1Very low40.8Very low132 Ų132147.4 Ų147.465%0.6576%0.762SS**G310 helixtrans-112.820.2-169.372.4177.7-156.800115.6E680E680-M683 WeakPolarHBondContact O-CG 3.17Å; E680-M683 PolarHBondContact O-N 2.59Å
684S49.9Very low41.7Very low102 Ų102143.4 Ų143.471%0.71376%0.758SS**  trans-151.661.6176.3-77.10000113.9
685Q39.8Very low42.5Very low180 Ų180138.1 Ų138.184%0.84175%0.747SS**  trans-135.5103.5168.1-76.1-69.20.900112
686Q33.1Very low43.6Very low186 Ų186133.4 Ų133.487%0.86973%0.733SS**  trans-155.7151.1166.2-131.9-160-9.300107.7
687P40.4Very low45.1Very low107 Ų107133.2 Ų133.270%0.69572%0.723SS**  cis-125.7165.5-10.440.4-27.5000113.9
688K28.1Very low46.3Very low210 Ų210134.7 Ų134.791%0.91372%0.72SS**  trans-166.6130.1140.4-111.1167.9-175.3-179.50110.6
689Q38.2Very low47.9Very low203 Ų203137 Ų13795%0.94972%0.717SS**  trans-98.8114.4176.5-75175.9-44.700110.5
690Q32Very low49.9Very low172 Ų172130.3 Ų130.380%0.80470%0.696SS**  trans-168.6132.1160.8-160.6171.2-6.300106.2
691E36.7Very low51.6Low156 Ų156126.5 Ų126.573%0.72968%0.68SS**  cis-159.9135.5-5.6159.1-179159.100107.6
692N36.5Very low53.2Low150 Ų150123.2 Ų123.280%0.80267%0.667SS**  trans-157.856.1176.1-138.84000110.6S694N692-S694 VanDerWaalsContact C-N 3.27Å; N692-S694 PolarHBondContact O-N 3.23Å; N692-S694 VanDerWaalsContact O-N 3.15Å
693G49.3Very low54.6Low48 Ų48124.2 Ų124.250%0.49565%0.654SS.*THydrogen-bonded Turntrans-61.2-24.9-164.100000116.2S695 S696 Q697G693-S695 PolarHBondContact O-N 3.29Å; G693-S696 PolarHBondContact O-N 3.05Å; G693-Q697 PolarHBondContact O-N 3.06Å; G693-Q697 VanDerWaalsContact O-N 3.16Å
694S53.5Low56.6Low101 Ų101122.6 Ų122.671%0.70665%0.648SS**Hα-helixtrans-61.1-21.2-169.2-46.40000115.3N692N692-S694 VanDerWaalsContact C-N 3.27Å; N692-S694 PolarHBondContact O-N 3.23Å; N692-S694 VanDerWaalsContact O-N 3.15Å
695S52.4Low58.4Low100 Ų100122.6 Ų122.670%0.69964%0.639SS**Hα-helixtrans-93.9-18.1-178.4-168.20000114.6G693G693-S695 PolarHBondContact O-N 3.29Å
696S60.8Low60.5Low70 Ų70117 Ų11749%0.4961%0.614SS.*Hα-helixtrans-85.2-49169.3-163.50000108.9G693 Q698 M699 D700G693-S696 PolarHBondContact O-N 3.05Å; S696-Q698 PolarHBondContact O-N 3.27Å; S696-Q698 VanDerWaalsContact O-N 3.08Å; S696-M699 WeakPolarHBondContact O-CA 3.36Å; S696-M699 WeakPolarHBondContact O-CB 3.3Å; S696-M699 PolarHBondContact O-N 3.46Å; S696-D700 WeakPolarHBondContact CB-OD2 3.25Å; S696-D700 PolarHBondContact O-N 2.96Å; S696-D700 PolarHBondContact OG-OD2 2.92Å
697Q71.3Confident63Low106 Ų106111.5 Ų111.550%0.49559%0.59SS.*Hα-helixtrans-51.7-41.4-175.6-163.7665900112.3G693 M699 D700 D701G693-Q697 PolarHBondContact O-N 3.06Å; G693-Q697 VanDerWaalsContact O-N 3.16Å; Q697-M699 VanDerWaalsContact C-N 3.26Å; Q697-M699 PolarHBondContact O-N 3.38Å; Q697-D700 PolarHBondContact O-N 3.15Å; Q697-D701 PolarHBondContact NE2-OD1 3.35Å; Q697-D701 VanDerWaalsContact O-CB 3.22Å; Q697-D701 WeakPolarHBondContact O-CB 3.32Å; Q697-D701 PolarHBondContact O-N 3.19Å
698Q73.6Confident64.6Low138 Ų138114.9 Ų114.965%0.64560%0.596SS**Hα-helixtrans-63.4-26.8177.5-168.2-175.3-30.200114.2S696 L702S696-Q698 PolarHBondContact O-N 3.27Å; S696-Q698 VanDerWaalsContact O-N 3.08Å; Q698-L702 WeakPolarHBondContact O-CD1 3.46Å; Q698-L702 VanDerWaalsContact O-CG 3.27Å; Q698-L702 WeakPolarHBondContact O-CG 3.39Å
699M79.7Confident66.8Low105 Ų105108.3 Ų108.352%0.51758%0.577SS.*Hα-helixtrans-84.9-39.5173.3-69.2-63.9-57.800111.6S696 Q697 L702 F703S696-M699 WeakPolarHBondContact O-CA 3.36Å; S696-M699 WeakPolarHBondContact O-CB 3.3Å; S696-M699 PolarHBondContact O-N 3.46Å; Q697-M699 VanDerWaalsContact C-N 3.26Å; Q697-M699 PolarHBondContact O-N 3.38Å; M699-L702 WeakPolarHBondContact O-CB 3.31Å; M699-L702 PolarHBondContact O-N 3.2Å; M699-L702 HydrophobicContact SD-CD1 4.37Å; M699-F703 VanDerWaalsContact O-CD2 3.23Å; M699-F703 WeakPolarHBondContact O-CD2 3.3Å; M699-F703 PolarHBondContact O-N 3.28Å
700D80Confident68.3Low71 Ų71101.6 Ų101.638%0.3856%0.562SS.*Hα-helixtrans-64.6-44.8177.5-60.1-53.6000110.6S696 Q697 L702 F703 D704S696-D700 WeakPolarHBondContact CB-OD2 3.25Å; S696-D700 PolarHBondContact O-N 2.96Å; S696-D700 PolarHBondContact OG-OD2 2.92Å; Q697-D700 PolarHBondContact O-N 3.15Å; D700-L702 PolarHBondContact O-N 3.41Å; D700-F703 PolarHBondContact O-N 3.4Å; D700-D704 PolarHBondContact O-N 2.87Å
701D86.1Confident70.1Confident72 Ų72100.5 Ų100.539%0.38556%0.557SS.*Hα-helixtrans-56.5-35.3172.1-67.1-8.8000112.1Q697 I705Q697-D701 PolarHBondContact NE2-OD1 3.35Å; Q697-D701 VanDerWaalsContact O-CB 3.22Å; Q697-D701 WeakPolarHBondContact O-CB 3.32Å; Q697-D701 PolarHBondContact O-N 3.19Å; D701-I705 WeakPolarHBondContact O-CB 3.33Å; D701-I705 WeakPolarHBondContact O-CD1 3.47Å; D701-I705 WeakPolarHBondContact O-CG1 3.39Å; D701-I705 PolarHBondContact O-N 2.74Å
702L86.6Confident71.4Confident83 Ų8396.4 Ų96.444%0.43554%0.539SS..Hα-helixtrans-70.7-35.2176.6-77.2169.3000112.1Q698 M699 D700 L706Q698-L702 WeakPolarHBondContact O-CD1 3.46Å; Q698-L702 VanDerWaalsContact O-CG 3.27Å; Q698-L702 WeakPolarHBondContact O-CG 3.39Å; M699-L702 WeakPolarHBondContact O-CB 3.31Å; M699-L702 PolarHBondContact O-N 3.2Å; M699-L702 HydrophobicContact SD-CD1 4.37Å; D700-L702 PolarHBondContact O-N 3.41Å; L702-L706 WeakPolarHBondContact O-CD1 3.32Å; L702-L706 PolarHBondContact O-N 2.8Å; L702-L706 VanDerWaalsContact O-N 3.11Å
703F75.8Confident72.4Confident117 Ų11794.2 Ų94.251%0.51354%0.536SS..Hα-helixtrans-69.3-43.2172.3-75.8-69.1000111.5M699 D700 I705 L706 I707 I712M699-F703 VanDerWaalsContact O-CD2 3.23Å; M699-F703 WeakPolarHBondContact O-CD2 3.3Å; M699-F703 PolarHBondContact O-N 3.28Å; D700-F703 PolarHBondContact O-N 3.4Å; F703-I705 VanDerWaalsContact C-N 3.32Å; F703-I705 PolarHBondContact O-N 2.99Å; F703-L706 PolarHBondContact O-N 2.87Å; F703-L706 VanDerWaalsContact O-N 3.11Å; F703-I707 VanDerWaalsContact O-CG1 3.31Å; F703-I707 WeakPolarHBondContact O-CG1 3.48Å; F703-I707 PolarHBondContact O-N 3.14Å; F703-I712 HydrophobicContact CD1-CD1 4.33Å
704D84Confident72.5Confident98 Ų9895.7 Ų95.752%0.52454%0.543SS..Hα-helixtrans-62.6-37.5175.3-81.5-17.2000111.9D700 I707 Q708D700-D704 PolarHBondContact O-N 2.87Å; D704-I707 PolarHBondContact O-N 3.1Å; D704-Q708 VanDerWaalsContact O-CB 3.23Å; D704-Q708 WeakPolarHBondContact O-CB 3.25Å; D704-Q708 PolarHBondContact O-N 3.32Å
705I88.1Confident72.5Confident102 Ų10298 Ų9852%0.52355%0.548SS..Hα-helixtrans-62.5-40.4171.9-73.5163.5000111.7D701 F703 Q708 S709D701-I705 WeakPolarHBondContact O-CB 3.33Å; D701-I705 WeakPolarHBondContact O-CD1 3.47Å; D701-I705 WeakPolarHBondContact O-CG1 3.39Å; D701-I705 PolarHBondContact O-N 2.74Å; F703-I705 VanDerWaalsContact C-N 3.32Å; F703-I705 PolarHBondContact O-N 2.99Å; I705-Q708 PolarHBondContact O-N 2.86Å; I705-S709 WeakPolarHBondContact O-CB 3.3Å; I705-S709 PolarHBondContact O-N 3.34Å; I705-S709 PolarHBondContact O-OG 3.2Å
706L84.6Confident72.1Confident62 Ų62103.4 Ų103.433%0.32556%0.559SS.*Hα-helixtrans-71.9-30.5176.9-100.571000113.4L702 F703 S709 E711 I712L702-L706 WeakPolarHBondContact O-CD1 3.32Å; L702-L706 PolarHBondContact O-N 2.8Å; L702-L706 VanDerWaalsContact O-N 3.11Å; F703-L706 PolarHBondContact O-N 2.87Å; F703-L706 VanDerWaalsContact O-N 3.11Å; L706-S709 WeakPolarHBondContact CA-OG 3.2Å; L706-S709 PolarHBondContact O-OG 3.02Å; L706-S709 VanDerWaalsContact O-OG 3.07Å; L706-E711 PolarHBondContact O-N 3.13Å; L706-E711 VanDerWaalsContact O-N 3.07Å; L706-I712 HydrophobicContact CB-CD1 3.98Å; L706-I712 HydrophobicContact CB-CG1 4.1Å; L706-I712 HydrophobicContact CD2-CG2 4.46Å; L706-I712 PolarHBondContact O-N 3.33Å
707I86.2Confident71.1Confident71 Ų71108.7 Ų108.736%0.36457%0.573SS.*Hα-helixtrans-70.9-44.1171.9-67.2163.2000109.4F703 D704 G710 I712F703-I707 VanDerWaalsContact O-CG1 3.31Å; F703-I707 WeakPolarHBondContact O-CG1 3.48Å; F703-I707 PolarHBondContact O-N 3.14Å; D704-I707 PolarHBondContact O-N 3.1Å; I707-G710 PolarHBondContact O-N 3.35Å; I707-G710 VanDerWaalsContact O-N 3.08Å; I707-I712 HydrophobicContact CG1-CD1 3.93Å; I707-I712 HydrophobicContact CG1-CG1 3.75Å
708Q74.1Confident69.3Low177 Ų177110.9 Ų110.983%0.82758%0.584SS**Hα-helixtrans-78.7-21.1-176.4-167.5153.922.600113.8D704 I705D704-Q708 VanDerWaalsContact O-CB 3.23Å; D704-Q708 WeakPolarHBondContact O-CB 3.25Å; D704-Q708 PolarHBondContact O-N 3.32Å; I705-Q708 PolarHBondContact O-N 2.86Å
709S73.9Confident67.6Low72 Ų72110 Ų11050%0.50359%0.59SS.*THydrogen-bonded Turntrans-73.3-13164.669.90000113I705 L706 E711I705-S709 WeakPolarHBondContact O-CB 3.3Å; I705-S709 PolarHBondContact O-N 3.34Å; I705-S709 PolarHBondContact O-OG 3.2Å; L706-S709 WeakPolarHBondContact CA-OG 3.2Å; L706-S709 PolarHBondContact O-OG 3.02Å; L706-S709 VanDerWaalsContact O-OG 3.07Å; S709-E711 VanDerWaalsContact C-N 3.28Å; S709-E711 VanDerWaalsContact OG-CB 3.3Å; S709-E711 WeakPolarHBondContact OG-CB 3.36Å; S709-E711 PolarHBondContact OG-N 2.87Å
710G68.5Low65.6Low62 Ų62111.2 Ų111.264%0.63961%0.605SS**THydrogen-bonded Turntrans74.514.7-174.300000114I707I707-G710 PolarHBondContact O-N 3.35Å; I707-G710 VanDerWaalsContact O-N 3.08Å
711E70.3Confident63.1Low149 Ų149113.3 Ų113.370%0.69663%0.625SS**SBendtrans-80.2-23.4-177.7-166.9166-173.400112.5L706 S709L706-E711 PolarHBondContact O-N 3.13Å; L706-E711 VanDerWaalsContact O-N 3.07Å; S709-E711 VanDerWaalsContact C-N 3.28Å; S709-E711 VanDerWaalsContact OG-CB 3.3Å; S709-E711 WeakPolarHBondContact OG-CB 3.36Å; S709-E711 PolarHBondContact OG-N 2.87Å
712I65.1Low60.5Low70 Ų70118.2 Ų118.236%0.35965%0.651SS.*SBendtrans-128.8141167.966.3-177.9000112.3F703 L706 I707F703-I712 HydrophobicContact CD1-CD1 4.33Å; L706-I712 HydrophobicContact CB-CD1 3.98Å; L706-I712 HydrophobicContact CB-CG1 4.1Å; L706-I712 HydrophobicContact CD2-CG2 4.46Å; L706-I712 PolarHBondContact O-N 3.33Å; I707-I712 HydrophobicContact CG1-CD1 3.93Å; I707-I712 HydrophobicContact CG1-CG1 3.75Å
713S55.7Low58Low104 Ų104120.1 Ų120.173%0.72767%0.668SS**  trans-78.3140.6171.5-59.40000111D715S713-D715 PolarHBondContact O-N 3.04Å
714A52.7Low55.7Low79 Ų79118 Ų11865%0.65368%0.68SS**SBendtrans-707.8-171.700000116.6
715D53.1Low53.3Low151 Ų151122 Ų12281%0.80769%0.693SS**  trans-10238.2-172.1-77.3-68.7000114.1S713S713-D715 PolarHBondContact O-N 3.04Å
716F43.7Very low50.5Low212 Ų212124.4 Ų124.493%0.9370%0.702SS**  trans-100.279.8172.1-109.6-87.4000112.7
717K40.1Very low47.9Very low182 Ų182130.9 Ų130.979%0.79173%0.727SS**  trans-97.6106.2178.7-165.775.3175179.80111.7
718E34.7Very low45.8Very low152 Ų152133.1 Ų133.171%0.7175%0.746SS**  trans29.8120144.5-166.8174.3-165.100119.8
719P36.2Very low43.6Very low120 Ų120129.7 Ų129.778%0.77974%0.742SS**PPolyproline II helixtrans-77.4134.9176.232-34000112.7
720P38Very low42.2Very low129 Ų129131.7 Ų131.784%0.83875%0.753SS**PPolyproline II helixtrans-78136.9-178.130.8-34.8000112.9
721S28.7Very low40.3Very low115 Ų115137.8 Ų137.880%0.80476%0.762SS**PPolyproline II helixtrans-88.9157.7168.756.50000112.2P723S721-P723 WeakPolarHBondContact O-CD 3.23Å
722L30.1Very low38.2Very low176 Ų176136.6 Ų136.692%0.92177%0.765SS**PPolyproline II helixtrans-77.4131.3-164.3-64.7165.6000114.6
723P35.2Very low36.4Very low122 Ų122139.6 Ų139.679%0.79279%0.786SS**PPolyproline II helixtrans-93.9145.4146.635-29.8000110.8S721S721-P723 WeakPolarHBondContact O-CD 3.23Å
724G27.6Very low34.9Very low74 Ų74140.6 Ų140.676%0.76379%0.792SS**PPolyproline II helixtrans-103.6168.3179.700000114.8
725K32.9Very low33.7Very low182 Ų182140.5 Ų140.579%0.79180%0.798SS**  trans84.8134.3168.9-74.2178.8151.5-120.60120.3
726E28.9Very low32.6Very low152 Ų152139 Ų13971%0.7180%0.8SS**  trans78.175.5141.8-70.8155.3-150.900121.3
727K31.3Very low32.7Very low198 Ų198135 Ų13586%0.86180%0.795SS**  27.7139.5113.3-179.8177.9-178.6-179.90118.6
728P40.7Very low32Very low117 Ų117134.2 Ų134.276%0.7680%0.799SS**  cis-133.5-171.719.130.4-6.5000116.6
729S28.9Very low31.7Very low106 Ų106131.3 Ų131.374%0.74180%0.801SS**  trans-85170.1173.464.50000113.6
730P43.8Very low31.2Very low113 Ų113130.5 Ų130.573%0.73480%0.804SS**  -151.915483.939.4-20.6000119
731K28.5Very low30.8Very low190 Ų190132.2 Ų132.283%0.82680%0.801SS**  trans21.2145.7139.7-46.7172.7-176.5177.80121.4
732T26.8Very low31.2Very low124 Ų124132.7 Ų132.776%0.76180%0.802SS**  156.4109.4111-67.40000117
733V26.4Very low31.1Very low133 Ų133129.1 Ų129.181%0.80679%0.791SS**  trans75.1150.7136.4173.30000124
734C25.6Very low31.9Very low125 Ų125129.1 Ų129.185%0.84579%0.791SS**  trans-50.9169.4-176.8-43.80000120.8
735G27.4Very low31.8Very low77 Ų77131 Ų13179%0.79479%0.793SS**  trans160.6112137.200000117.4
736S30.2Very low31.7Very low119 Ų119126.7 Ų126.783%0.83279%0.791SS**  trans-83.3161.6159-47.40000110.3
737P44.3Very low31.6Very low128 Ų128127.7 Ų127.783%0.83180%0.796SS**  -153.1169.199.339-20.5000118.8
738L26.8Very low31.5Very low166 Ų166125.5 Ų125.587%0.86979%0.792SS**  trans-39.2148.5171.4-10864.3000122.7
739A28.1Very low31.9Very low92 Ų92125 Ų12576%0.7679%0.789SS**  95.5152.6117.200000125.1
740A26Very low31.8Very low103 Ų103129.3 Ų129.385%0.85180%0.798SS**  trans113.194145.200000120.4
741Q29.2Very low31Very low164 Ų164128.8 Ų128.877%0.76680%0.803SS**  trans-62.7170.5159.8-78.9-82-27.900114.4
742P37.3Very low31.1Very low126 Ų126124.2 Ų124.282%0.81880%0.8SS**  -150.916291.638.9-20.2000119.1
743S28.3Very low32.3Very low100 Ų100124 Ų12470%0.69980%0.801SS**  trans-96.8-175.3171.7-39.10000112.8
744P51.8Low32.9Very low122 Ų122123.6 Ų123.679%0.79280%0.801SS**  -147.6-170.277.941.7-20.9000113.9
745S25.9Very low33.8Very low115 Ų115123.2 Ų123.280%0.80480%0.797SS**  cis-161.9167.419-149.80000114.9
746A30.5Very low34.8Very low90 Ų90125.7 Ų125.774%0.74480%0.799SS**  trans66.1124174.900000117.7
747E25.8Very low34.6Very low174 Ų174123.3 Ų123.381%0.81379%0.794SS**  cis87.512020.3-145.7-174.7129.800113.8
748L29.3Very low33.8Very low151 Ų151122.9 Ų122.979%0.79179%0.794SS**  -141-177.952.8-108.294.7000114.6
749P48.1Very low34.3Very low106 Ų106121.2 Ų121.269%0.68879%0.793SS**  trans-132.7-170-140.347.8-36.1000120.5
750Q27.4Very low34.3Very low198 Ų198122.6 Ų122.693%0.92580%0.797SS**  trans102.4151.6161.8-71.9-176-11.200119.9
751A27.6Very low34.8Very low102 Ų102125.8 Ų125.884%0.84380%0.799SS**  trans-116.1169-161.900000112.2
752A29.6Very low35.5Very low93 Ų93124.2 Ų124.277%0.76980%0.802SS**  cis-157.3-174.945.100000113.4
753P51.8Low35.4Very low119 Ų119122.1 Ų122.177%0.77380%0.804SS**  trans-92.7162.8-15940.2-39.7000116
754P39.1Very low36.3Very low125 Ų125126.2 Ų126.281%0.81280%0.804SS**  -148.8-172.18740.6-20000114.8
755P45.8Very low36.1Very low118 Ų118127.1 Ų127.177%0.76680%0.802SS**  trans-106.2-170.2-170.841.4-34.1000114.6
756P48.6Very low37.6Very low128 Ų128125.4 Ų125.483%0.83178%0.781SS**  -128.4168.5-52.937.7-23.2000113.7
757G26.2Very low38.7Very low70 Ų70126.9 Ų126.972%0.72278%0.776SS**  trans-176.9125.4169.100000118.5
758S25.7Very low40Very low119 Ų119126.6 Ų126.683%0.83277%0.773SS**  trans41.6123.5155.762.30000122.7
759P37.2Very low41.1Very low131 Ų131124.9 Ų124.985%0.85176%0.764SS**  trans-99.2156.6146.436.9-29.9000112.1
760S28.4Very low41.5Very low120 Ų120127.4 Ų127.484%0.83977%0.766SS**  trans-121.4152172.955.60000112
761L37.1Very low42.8Very low171 Ų171123 Ų12390%0.89576%0.757SS**  trans-117.1144-174.9-67170.4000111.5
762P44Very low43.6Very low130 Ų130122.7 Ų122.784%0.84475%0.749SS**  trans-87.9144.3163.635.1-31.3000111.3
763G35.3Very low44.8Very low83 Ų83123.4 Ų123.486%0.85674%0.744SS**  trans153.281.6178.800000111
764R48.2Very low44.5Very low186 Ų186121 Ų12170%0.70274%0.741SS**  trans-105147.2-169.5-161.3168.6149.4-137.6-3.2110.9E766R764-E766 HydrophobicContact CB-CG 4.07Å; R764-E766 WeakPolarHBondContact CD-OE1 3.43Å; R764-E766 HydrophobicContact CG-CG 3.71Å; R764-E766 IonicContact CZ-OE1 3.93Å; R764-E766 IonicContact CZ-OE2 3.95Å; R764-E766 VanDerWaalsContact NE-CD 3.35Å; R764-E766 IonicContact NE-OE1 2.66Å; R764-E766 PolarHBondContact NE-OE1 3.36Å; R764-E766 IonicContact NE-OE2 4Å; R764-E766 PolarHBondContact NE-OE2 3.15Å; R764-E766 IonicContact NH1-OE1 2.69Å; R764-E766 PolarHBondContact NH1-OE1 3.37Å; R764-E766 IonicContact NH1-OE2 2.67Å; R764-E766 PolarHBondContact NH1-OE2 3.26Å; R764-E766 IonicContact NH2-OE1 2.65Å; R764-E766 IonicContact NH2-OE2 3.66Å; R764-E766 PolarHBondContact NH2-OE2 3.29Å; R764-E766 PolarHBondContact O-N 3.4Å
765L46.6Very low44.6Very low140 Ų140122.5 Ų122.573%0.73374%0.741SS**SBendtrans-75.421.6-166.9-161.166.5000114.7
766E57.1Low44.3Very low79 Ų79122.5 Ų122.537%0.36974%0.742SS.*SBendtrans-84.6-58.2-165.3-42.5-173-109.900110.8R764 F768 L769R764-E766 HydrophobicContact CB-CG 4.07Å; R764-E766 WeakPolarHBondContact CD-OE1 3.43Å; R764-E766 HydrophobicContact CG-CG 3.71Å; R764-E766 IonicContact CZ-OE1 3.93Å; R764-E766 IonicContact CZ-OE2 3.95Å; R764-E766 VanDerWaalsContact NE-CD 3.35Å; R764-E766 IonicContact NE-OE1 2.66Å; R764-E766 PolarHBondContact NE-OE1 3.36Å; R764-E766 IonicContact NE-OE2 4Å; R764-E766 PolarHBondContact NE-OE2 3.15Å; R764-E766 IonicContact NH1-OE1 2.69Å; R764-E766 PolarHBondContact NH1-OE1 3.37Å; R764-E766 IonicContact NH1-OE2 2.67Å; R764-E766 PolarHBondContact NH1-OE2 3.26Å; R764-E766 IonicContact NH2-OE1 2.65Å; R764-E766 IonicContact NH2-OE2 3.66Å; R764-E766 PolarHBondContact NH2-OE2 3.29Å; R764-E766 PolarHBondContact O-N 3.4Å; E766-F768 PolarHBondContact O-N 3.3Å; E766-L769 PolarHBondContact O-N 3.26Å
767D53.6Low43.7Very low121 Ų121124.6 Ų124.665%0.64775%0.745SS**Hα-helixtrans-54.9-26.9-174.7-42.9-18.9000113.4S771D767-S771 PolarHBondContact O-OG 3.13Å
768F53.5Low44.4Very low168 Ų168128.9 Ų128.974%0.73775%0.75SS**Hα-helixtrans-77.3-27179.3-163.4-95.9000113.4E766E766-F768 PolarHBondContact O-N 3.3Å
769L53.3Low44.6Very low115 Ų115128.8 Ų128.860%0.60275%0.745SS**Hα-helixtrans-79.8-39.2-178.6-74167.3000112E766 S771 S772E766-L769 PolarHBondContact O-N 3.26Å; L769-S771 VanDerWaalsContact C-N 3.26Å; L769-S771 PolarHBondContact O-N 3.35Å; L769-S772 PolarHBondContact O-OG 3.11Å
770E55.9Low44.4Very low159 Ų159127.7 Ų127.774%0.74374%0.74SS**Hα-helixtrans-67.5-27.3179.4-57.6-170151.800112.7S772E770-S772 VanDerWaalsContact C-N 3.26Å; E770-S772 PolarHBondContact O-N 3.26Å
771S53.3Low44.4Very low106 Ų106125.6 Ų125.674%0.74174%0.738SS**THydrogen-bonded Turntrans-72.7-7.6-176.5-64.80000115.3D767 L769D767-S771 PolarHBondContact O-OG 3.13Å; L769-S771 VanDerWaalsContact C-N 3.26Å; L769-S771 PolarHBondContact O-N 3.35Å
772S45.6Very low44.3Very low95 Ų95126 Ų12666%0.66474%0.735SS**THydrogen-bonded Turntrans-111.4-12.7-169.869.70000116.2L769 E770L769-S772 PolarHBondContact O-OG 3.11Å; E770-S772 VanDerWaalsContact C-N 3.26Å; E770-S772 PolarHBondContact O-N 3.26Å
773T54.2Low43.9Very low109 Ų109127.2 Ų127.267%0.66973%0.734SS**THydrogen-bonded Turntrans-119.5-16.5-169.749.90000115.3L775T773-L775 PolarHBondContact O-N 3.12Å
774G46.6Very low43.9Very low69 Ų69126.1 Ų126.171%0.71172%0.723SS**  trans72.310.6159.900000118.2
775L41.6Very low43.9Very low155 Ų155123.4 Ų123.481%0.81273%0.73SS**  trans-137135.3169.3-76176.6000111T773T773-L775 PolarHBondContact O-N 3.12Å
776P39.4Very low43.5Very low119 Ų119122.3 Ų122.377%0.77372%0.721SS**  trans-82.1140.7-177.432.8-34.4000112.3
777L35.9Very low43.2Very low171 Ų171123.2 Ų123.290%0.89573%0.733SS**  trans-119.786.7169.7-167.774.3000111.4
778L39.8Very low42.8Very low160 Ų160122.4 Ų122.484%0.83873%0.729SS**  trans-123.6148.1163.1-65.9-180000106.1
779T30.7Very low42.7Very low117 Ų117118.4 Ų118.472%0.71872%0.721SS**  cis-161.2156.310.8161.70000109.9
780S31.5Very low42.8Very low109 Ų109119.5 Ų119.576%0.76273%0.727SS**  trans51130.6149.360.90000121.9
781G30Very low43Very low76 Ų76116.2 Ų116.278%0.78471%0.714SS**  trans135.6106.4131.500000118.8
782H33.8Very low43.2Very low179 Ų179116.5 Ų116.583%0.82971%0.707SS**  trans55103.9137.7-167.6-69.6000121
783D36.9Very low43.8Very low155 Ų155116.8 Ų116.883%0.82970%0.701SS**  trans52.5128.9138.8-139.9-100.7000121.9
784G35.4Very low44.4Very low61 Ų61116.3 Ų116.363%0.62969%0.694SS**  trans144.9130.4174.500000113.2
785P47.3Very low44.7Very low129 Ų129117.8 Ų117.884%0.83868%0.682SS**  trans-97.5113.4-171.134.6-32.3000114.4
786E39.2Very low45.2Very low117 Ų117112.8 Ų112.855%0.54766%0.66SS.*  trans176.5109.2132.2-111.6-60.1119.500112.7L788 S789E786-L788 WeakPolarHBondContact OE1-CG 3.43Å; E786-L788 WeakPolarHBondContact OE2-CA 3.44Å; E786-L788 WeakPolarHBondContact OE2-CB 3.3Å; E786-L788 PolarHBondContact OE2-N 3.15Å; E786-S789 PolarHBondContact OE2-N 3.05Å
787P49.1Very low45.7Very low97 Ų97113 Ų11363%0.6365%0.651SS**  trans-1120.4163.338.6-31.3000113.3
788L46.3Very low46.4Very low105 Ų105111.5 Ų111.555%0.5564%0.641SS.*Hα-helixtrans-76.8-31.8-175.9-55.4-179.4000111.5E786 L790 I791 D792E786-L788 WeakPolarHBondContact OE1-CG 3.43Å; E786-L788 WeakPolarHBondContact OE2-CA 3.44Å; E786-L788 WeakPolarHBondContact OE2-CB 3.3Å; E786-L788 PolarHBondContact OE2-N 3.15Å; L788-L790 PolarHBondContact O-N 3.37Å; L788-L790 VanDerWaalsContact O-N 3.12Å; L788-I791 HydrophobicContact CD2-CD1 4.24Å; L788-I791 WeakPolarHBondContact O-CA 3.48Å; L788-I791 WeakPolarHBondContact O-CB 3.46Å; L788-I791 PolarHBondContact O-N 2.92Å; L788-D792 PolarHBondContact O-N 3.31Å
789S50.3Low47.2Very low83 Ų83111 Ų11158%0.5864%0.638SS**Hα-helixtrans-53.8-30.8175.4-173.60000113.9E786 D793E786-S789 PolarHBondContact OE2-N 3.05Å; S789-D793 WeakPolarHBondContact O-CB 3.39Å; S789-D793 PolarHBondContact O-N 3.46Å
790L55.2Low47.7Very low138 Ų138109.7 Ų109.772%0.72363%0.633SS**Hα-helixtrans-75.3-28.8177-167.371.3000112.2L788 L794L788-L790 PolarHBondContact O-N 3.37Å; L788-L790 VanDerWaalsContact O-N 3.12Å; L790-L794 WeakPolarHBondContact O-CB 3.45Å; L790-L794 PolarHBondContact O-N 2.99Å
791I61.6Low48Very low91 Ų91108.3 Ų108.347%0.46762%0.624SS.*Hα-helixtrans-77.7-43.4176.6-48.5175.5000109.4L788 L794 H795L788-I791 HydrophobicContact CD2-CD1 4.24Å; L788-I791 WeakPolarHBondContact O-CA 3.48Å; L788-I791 WeakPolarHBondContact O-CB 3.46Å; L788-I791 PolarHBondContact O-N 2.92Å; I791-L794 PolarHBondContact O-N 3.37Å; I791-H795 WeakPolarHBondContact O-CB 3.2Å; I791-H795 PolarHBondContact O-CD2 3.19Å; I791-H795 PolarHBondContact O-N 3.21Å
792D56.2Low49Very low112 Ų112110.7 Ų110.760%0.59962%0.623SS**Hα-helixtrans-70.1-38179.7-162.863.1000112.6L788 H795 S796L788-D792 PolarHBondContact O-N 3.31Å; D792-H795 PolarHBondContact O-N 2.88Å; D792-S796 VanDerWaalsContact O-CB 3.26Å; D792-S796 WeakPolarHBondContact O-CB 3.1Å; D792-S796 PolarHBondContact O-N 2.97Å; D792-S796 PolarHBondContact O-OG 3.09Å
793D58.3Low49.6Very low100 Ų100106.6 Ų106.654%0.53562%0.62SS.*Hα-helixtrans-68.6-40.4172.9-168.845.8000111.5S789 H795 S796 Q797S789-D793 WeakPolarHBondContact O-CB 3.39Å; S789-D793 PolarHBondContact O-N 3.46Å; D793-H795 VanDerWaalsContact C-N 3.34Å; D793-H795 PolarHBondContact O-N 2.99Å; D793-S796 CarbonylContact O-C 3.6Å; D793-S796 PolarHBondContact O-N 3.24Å; D793-Q797 VanDerWaalsContact O-CB 3.29Å; D793-Q797 WeakPolarHBondContact O-CB 3.42Å; D793-Q797 PolarHBondContact O-N 3.44Å
794L68.3Low50Low99 Ų99107 Ų10752%0.51862%0.621SS.*Hα-helixtrans-62.6-39.9172.8-179.962.9000112.2L790 I791 M798L790-L794 WeakPolarHBondContact O-CB 3.45Å; L790-L794 PolarHBondContact O-N 2.99Å; I791-L794 PolarHBondContact O-N 3.37Å; L794-M798 WeakPolarHBondContact O-CG 3.39Å; L794-M798 PolarHBondContact O-N 2.99Å
795H53Low50.6Low101 Ų101110.7 Ų110.747%0.46863%0.625SS.*Hα-helixtrans-66-43.8173.7-80.9-143.9000111.2I791 D792 D793 Q797 M798 L799I791-H795 WeakPolarHBondContact O-CB 3.2Å; I791-H795 PolarHBondContact O-CD2 3.19Å; I791-H795 PolarHBondContact O-N 3.21Å; D792-H795 PolarHBondContact O-N 2.88Å; D793-H795 VanDerWaalsContact C-N 3.34Å; D793-H795 PolarHBondContact O-N 2.99Å; H795-Q797 VanDerWaalsContact C-N 3.34Å; H795-Q797 PolarHBondContact O-N 3.06Å; H795-M798 PolarHBondContact O-N 2.93Å; H795-L799 WeakPolarHBondContact O-CB 3.27Å; H795-L799 VanDerWaalsContact O-CG 3.25Å; H795-L799 WeakPolarHBondContact O-CG 3.48Å; H795-L799 PolarHBondContact O-N 2.69Å
796S50.4Low50.2Low49 Ų49111.3 Ų111.334%0.34362%0.622SS.*Hα-helixtrans-63.1-38.4176.4-65.20000112.2D792 D793 L799 S800D792-S796 VanDerWaalsContact O-CB 3.26Å; D792-S796 WeakPolarHBondContact O-CB 3.1Å; D792-S796 PolarHBondContact O-N 2.97Å; D792-S796 PolarHBondContact O-OG 3.09Å; D793-S796 CarbonylContact O-C 3.6Å; D793-S796 PolarHBondContact O-N 3.24Å; S796-L799 PolarHBondContact O-N 3.37Å; S796-S800 WeakPolarHBondContact O-CB 3.07Å; S796-S800 PolarHBondContact O-N 3.27Å; S796-S800 PolarHBondContact O-OG 3.13Å
797Q50.7Low50.6Low125 Ų125112.8 Ų112.858%0.58463%0.628SS**Hα-helixtrans-71.4-38.3177.3-167.9173.444.400112.2D793 H795 S800 S801D793-Q797 VanDerWaalsContact O-CB 3.29Å; D793-Q797 WeakPolarHBondContact O-CB 3.42Å; D793-Q797 PolarHBondContact O-N 3.44Å; H795-Q797 VanDerWaalsContact C-N 3.34Å; H795-Q797 PolarHBondContact O-N 3.06Å; Q797-S800 PolarHBondContact O-N 2.85Å; Q797-S801 PolarHBondContact O-N 3.11Å; Q797-S801 PolarHBondContact O-OG 3.24Å
798M51.4Low50.4Low139 Ų139113.2 Ų113.269%0.68563%0.631SS**Hα-helixtrans-62.3-44.9169.5-75.9-133.8-57.500111.8L794 H795 S800 S801L794-M798 WeakPolarHBondContact O-CG 3.39Å; L794-M798 PolarHBondContact O-N 2.99Å; H795-M798 PolarHBondContact O-N 2.93Å; M798-S800 VanDerWaalsContact C-N 3.32Å; M798-S800 PolarHBondContact O-N 3Å; M798-S801 PolarHBondContact O-N 3.31Å
799L56.3Low50.3Low149 Ų149114 Ų11478%0.7864%0.642SS**Hα-helixtrans-71.3-26.2-179.1-69.4169.2000113.1H795 S796H795-L799 WeakPolarHBondContact O-CB 3.27Å; H795-L799 VanDerWaalsContact O-CG 3.25Å; H795-L799 WeakPolarHBondContact O-CG 3.48Å; H795-L799 PolarHBondContact O-N 2.69Å; S796-L799 PolarHBondContact O-N 3.37Å
800S41.3Very low49.7Very low89 Ų89115.5 Ų115.562%0.62265%0.653SS**THydrogen-bonded Turntrans-87.6-0.3177.5-56.70000114S796 Q797 M798 T802S796-S800 WeakPolarHBondContact O-CB 3.07Å; S796-S800 PolarHBondContact O-N 3.27Å; S796-S800 PolarHBondContact O-OG 3.13Å; Q797-S800 PolarHBondContact O-N 2.85Å; M798-S800 VanDerWaalsContact C-N 3.32Å; M798-S800 PolarHBondContact O-N 3Å; S800-T802 PolarHBondContact O-N 2.96Å; S800-T802 PolarHBondContact O-OG1 2.74Å
801S37.9Very low49.3Very low80 Ų80114.1 Ų114.156%0.55965%0.652SS**  trans-81.558.8-177.6-70.30000113.1Q797 M798 A803Q797-S801 PolarHBondContact O-N 3.11Å; Q797-S801 PolarHBondContact O-OG 3.24Å; M798-S801 PolarHBondContact O-N 3.31Å; S801-A803 PolarHBondContact O-N 2.68Å
802T50.1Low48.5Very low127 Ų127117.6 Ų117.678%0.77967%0.668SS**  trans-73.363.8175.734.60000112.8S800S800-T802 PolarHBondContact O-N 2.96Å; S800-T802 PolarHBondContact O-OG1 2.74Å
803A46Very low47.7Very low92 Ų92118.7 Ų118.776%0.7667%0.674SS**  trans-126.26.5179.700000114.7S801S801-A803 PolarHBondContact O-N 2.68Å
804I46.8Very low46.8Very low164 Ų164119.8 Ų119.884%0.84169%0.685SS**  trans-131.949.1168.4-39.7179.7000110.1
805L46.5Very low45.4Very low138 Ų138119.8 Ų119.872%0.72369%0.693SS**  trans-104.866.1167.9-171.867.4000109.6
806D39.3Very low44.5Very low143 Ų143123.2 Ų123.277%0.76571%0.709SS**  trans-123.6103.6161.9-173.941.2000108.6
807H47.6Very low43.7Very low148 Ų148128.2 Ų128.269%0.68573%0.731SS**  trans-108.9115.9173.2-70.9-49.1000108.2
808P46Very low42.7Very low105 Ų105129 Ų12968%0.68273%0.734SS**  trans-59.3132.2165.726-33000108.3S810P808-S810 PolarHBondContact O-N 2.58Å; P808-S810 VanDerWaalsContact O-N 3.09Å
809P42.4Very low41.6Very low122 Ų122131.4 Ų131.479%0.79274%0.742SS**  trans-68.4113.7-166.124.6-34.3000111.7P811P809-P811 VanDerWaalsContact O-CD 3.31Å; P809-P811 WeakPolarHBondContact O-CD 3.48Å
810S38.4Very low40.2Very low115 Ų115130.4 Ų130.480%0.80474%0.741SS**PPolyproline II helixtrans-60.4116.3162.6-76.10000108.7P808 M812P808-S810 PolarHBondContact O-N 2.58Å; P808-S810 VanDerWaalsContact O-N 3.09Å; S810-M812 PolarHBondContact O-N 2.88Å
811P46.2Very low40Very low108 Ų108131.2 Ų131.270%0.70174%0.744SS**PPolyproline II helixtrans-67.4120.9-177.326.4-33.2000110.1P809P809-P811 VanDerWaalsContact O-CD 3.31Å; P809-P811 WeakPolarHBondContact O-CD 3.48Å
812M45.7Very low39.6Very low164 Ų164135.8 Ų135.881%0.80876%0.757SS**PPolyproline II helixtrans-63.7158.6-173.7-166.9170.565.200113.1S810S810-M812 PolarHBondContact O-N 2.88Å
813D38.9Very low39.4Very low136 Ų136134.3 Ų134.373%0.72775%0.75SS**PPolyproline II helixtrans-64.8140.4167.7-158.4-36.9000110.6
814T40.6Very low38.5Very low122 Ų122135.5 Ų135.575%0.74875%0.752SS**  trans-139.898.9169.858.40000109.2
815S37.1Very low37.6Very low100 Ų100132.6 Ų132.670%0.69975%0.747SS**  trans-73.6167.8159.5-68.20000110.8
816E35.7Very low36.8Very low173 Ų173131.2 Ų131.281%0.80874%0.744SS**  trans71.4106.5174.5-52.6-166.1153.400117.3
817L32.3Very low36.6Very low153 Ų153132.9 Ų132.980%0.80175%0.75SS**  trans-142.1115.4137.9-131.4176.8000108.9
818H30.2Very low35.6Very low141 Ų141129 Ų12965%0.65375%0.749SS**  trans-75.1136.9174.8-70.6-106.6000110.3
819F27.8Very low35.1Very low191 Ų191132.9 Ų132.984%0.83876%0.763SS**  trans-109.5104.9152.4-82.6-80.2000108.6P821F819-P821 WeakPolarHBondContact O-CD 3.45Å
820V28.1Very low34.5Very low127 Ų127134.3 Ų134.377%0.7776%0.764SS**  trans-81.7121.6166.5174.20000107.6
821P37.2Very low34.1Very low106 Ų106136.3 Ų136.369%0.68877%0.765SS**  trans-83.9149.7165.634.9-32.5000110.6F819F819-P821 WeakPolarHBondContact O-CD 3.45Å
822E27.7Very low33.5Very low176 Ų176136 Ų13682%0.82277%0.772SS**  trans146.5159.7158.1-87.4-73.676.900110.4
823P47.8Very low32.8Very low97 Ų97135.6 Ų135.663%0.6377%0.773SS**  cis-130.2165.3-23.337-23.1000113.6
824S27.1Very low32.8Very low116 Ų116132.3 Ų132.381%0.81177%0.771SS**  166.8157.1129.6480000114.9
825S27.9Very low32.6Very low103 Ų103133.9 Ų133.972%0.7277%0.77SS**  trans67.673.5168.2-163.90000117.4
826T27.9Very low32.8Very low110 Ų110135.4 Ų135.468%0.67577%0.769SS**  42.59782.472.30000116.1
827M35.4Very low33Very low178 Ų178134 Ų13488%0.87777%0.767SS**  -165.9152.1102.9-69.9-41.7162.700108.5
828G27.8Very low33.2Very low66 Ų66129.3 Ų129.368%0.6875%0.748SS**  cis139.342.5-400000115.8
829L34.4Very low33.8Very low186 Ų186130.9 Ų130.997%0.97476%0.757SS**  trans-142.9159.5163.9-83-173.5000111.7
830D30.1Very low34.5Very low153 Ų153126.3 Ų126.382%0.81874%0.742SS**  trans-127.2177-163.1178.335.4000111.1
831L30.1Very low35.1Very low156 Ų156130.5 Ų130.582%0.81774%0.744SS**  trans76.385.5158.3-161.674.3000118.1
832A33.9Very low35.6Very low102 Ų102133 Ų13384%0.84375%0.75SS**  trans-152.9126.5136.300000112
833D31.2Very low36Very low156 Ų156133.2 Ų133.283%0.83475%0.752SS**  trans-46.3154.9-178.3-165.242.1000117.5
834G39.4Very low35.7Very low67 Ų67134.8 Ų134.869%0.69175%0.754SS**  trans-117.9117.9179.100000113.2
835H36Very low36.1Very low155 Ų155133 Ų13372%0.71874%0.741SS**  trans-137.4117.6174.2-156.4-86.1000107.5
836L41.3Very low36.5Very low132 Ų132129.8 Ų129.869%0.69172%0.719SS**  59.6134.677.4-71.9176.7000111.9
837D40.3Very low36.8Very low142 Ų142127.1 Ų127.176%0.75971%0.714SS**  cis-164.9-167.45-173.920.1000108.6
838S35Very low36.6Very low56 Ų56120.5 Ų120.539%0.39269%0.691SS.*  trans59.6114.9141.3-176.90000119D840S838-D840 WeakPolarHBondContact CB-OD2 3.34Å; S838-D840 PolarHBondContact OG-OD2 2.67Å
839M44.2Very low37.5Very low173 Ų173122.1 Ų122.185%0.85269%0.689SS**  -160.970.8114.6-139.173.267.100112.4
840D41.6Very low37.4Very low96 Ų96118 Ų11851%0.51367%0.672SS.*  40.8122.2116.6-67.2-80.9000122.4S838S838-D840 WeakPolarHBondContact CB-OD2 3.34Å; S838-D840 PolarHBondContact OG-OD2 2.67Å
841W41.7Very low37.8Very low215 Ų215118.1 Ų118.181%0.81467%0.672SS**  trans35.6119.5142.8-47.393.7000122
842L46.5Very low37.7Very low157 Ų157115.2 Ų115.282%0.82266%0.664SS**  trans53.2101.1136.9-64171.6000119.5
843E35.8Very low37.4Very low182 Ų182118.2 Ų118.285%0.8567%0.665SS**  trans-142152.5143.8-129.7-158.7167.200114.7
844L42.3Very low37.5Very low130 Ų130115.2 Ų115.268%0.68166%0.662SS**  trans-121.385.4-174.3-83.4173.3000112.5K176K176-L844 PolarHBondContact NZ-O 2.75Å
845S35Very low38.1Very low77 Ų77117.2 Ų117.254%0.53866%0.663SS.*  trans-142.5102.3179.6-118.80000118.2K176K176-S845 PolarHBondContact NZ-OG 3.33Å
846S37.3Very low37.7Very low36 Ų36116.9 Ų116.925%0.25267%0.665SS.*  82.997.2129.3-47.50000118.6K176K176-S846 WeakPolarHBondContact CD-OG 3.47Å; K176-S846 WeakPolarHBondContact CE-OG 3.24Å; K176-S846 PolarHBondContact NZ-OG 2.73Å
847G33.5Very low37.1Very low55 Ų55115.7 Ų115.757%0.56767%0.668SS**  trans-81-158.3-17900000116.8K175K175-G847 WeakPolarHBondContact CA-O 3.48Å; K175-G847 PolarHBondContact N-O 2.86Å; K175-G847 VanDerWaalsContact N-O 3.11Å
848G30.7Very low36.5Very low39 Ų39115.2 Ų115.240%0.40267%0.671SS.*  trans138.8128.9177.800000113.2R173R173-G848 PolarHBondContact NE-O 3.24Å; R173-G848 VanDerWaalsContact NE-O 3.16Å; R173-G848 PolarHBondContact NH2-O 3.24Å
849P46.8Very low36.2Very low99 Ų99118.8 Ų118.864%0.64369%0.69SS**  trans-109-178.9-154.942.6-37.9000116.2R173R173-P849 VanDerWaalsContact CD-O 3.3Å; R173-P849 WeakPolarHBondContact CD-O 3.47Å; R173-P849 VanDerWaalsContact CZ-C 3.44Å; R173-P849 PolarHBondContact NE-O 2.78Å
850V33.3Very low35.9Very low101 Ų101114.5 Ų114.561%0.61268%0.683SS**  trans74.6121.3164-175.20000118.1R173R173-V850 PolarHBondContact NH1-O 3.08Å
851L38.4Very low35.9Very low155 Ų155116.3 Ų116.381%0.81270%0.699SS**  trans21.2159.7140.6-43174.5000119.8
852S27.9Very low35.7Very low94 Ų94110 Ų11066%0.65769%0.688SS**  cis-174.3175.329.9-156.40000112.9
853L28.4Very low35.1Very low165 Ų165111 Ų11186%0.86469%0.693SS**  trans72.7155.1159.5-54.7-174.6000121.9
854A33.1Very low35Very low93 Ų93110.3 Ų110.377%0.76969%0.688SS**  trans-116.2-152171.500000108.1
855P50.8Low34.5Very low109 Ų109109.8 Ų109.871%0.70870%0.695SS**  cis-138.6-155.7-6.933.2-6.7000114.1
856L28.8Very low34.5Very low148 Ų148110.9 Ų110.978%0.77570%0.699SS**  trans71.7127.2175.8-80.568.6000115.6
857S27.1Very low34.4Very low108 Ų108115.6 Ų115.676%0.75572%0.721SS**  78.7147.452.6-57.70000113
858T27.9Very low34.3Very low131 Ų131121 Ų12180%0.80473%0.729SS**  cis-102.6-152.514.451.80000112.5
859T29.5Very low35Very low131 Ų131127.4 Ų127.480%0.80475%0.753SS**  cis-152.5161.116.9-55.60000110.8
860A37.4Very low34.4Very low84 Ų84128.6 Ų128.669%0.69475%0.754SS**  trans-131.917317400000112.3
861P41.4Very low34.9Very low133 Ų133127 Ų12786%0.86476%0.758SS**  trans-116.5154.9133.135.2-32.1000111.7
862S37.2Very low34.8Very low83 Ų83127.4 Ų127.458%0.5876%0.756SS**  trans-122.8147.5-176.2177.50000110.8F864S862-F864 WeakPolarHBondContact OG-CD2 3.47Å
863L34.7Very low35.1Very low178 Ų178129.4 Ų129.493%0.93276%0.759SS**  trans-124.4120.8159.3-73175.7000108.1
864F33.4Very low35.9Very low168 Ų168128.9 Ų128.974%0.73776%0.757SS**  trans-88.7141.4178.7-97.2-110.4000111.1S862 T866S862-F864 WeakPolarHBondContact OG-CD2 3.47Å; F864-T866 VanDerWaalsContact CD1-OG1 3.27Å; F864-T866 WeakPolarHBondContact CD1-OG1 3.41Å; F864-T866 WeakPolarHBondContact CE1-OG1 3.49Å
865S32.5Very low36.1Very low119 Ų119132.3 Ų132.383%0.83276%0.757SS**  trans-132.8102.3132.1-72.30000107.4
866T34.5Very low35.7Very low99 Ų99134.7 Ų134.761%0.60776%0.763SS**  trans-105118.6164.9-69.50000106.4F864F864-T866 VanDerWaalsContact CD1-OG1 3.27Å; F864-T866 WeakPolarHBondContact CD1-OG1 3.41Å; F864-T866 WeakPolarHBondContact CE1-OG1 3.49Å
867D36.1Very low35.9Very low135 Ų135135.4 Ų135.472%0.72276%0.761SS**  trans-124.9105.2164-83.3-65.1000109.1
868F31Very low36.4Very low169 Ų169142.2 Ų142.274%0.74177%0.771SS**  trans45.2108.9152.6-62.9-84.8000120D870F868-D870 PolarHBondContact O-N 2.96Å
869L44.3Very low36.6Very low174 Ų174142 Ų14291%0.91177%0.765SS**  -54.5114.1119.7-71.6167.4000107.8
870D34.6Very low36.8Very low123 Ų123140.2 Ų140.266%0.65876%0.758SS**  trans-88.9132.1157.1-164.6-11.1000108.3F868 H872F868-D870 PolarHBondContact O-N 2.96Å; D870-H872 IonicContact OD1-CD2 3.45Å; D870-H872 PolarHBondContact OD1-CD2 3.22Å; D870-H872 IonicContact OD1-CG 2.98Å; D870-H872 PolarHBondContact OD1-N 2.7Å
871G43.6Very low36.9Very low68 Ų68142 Ų14270%0.70176%0.764SS**  trans-127.334.4-17200000111.8
872H37.1Very low36.5Very low163 Ų163147.4 Ų147.476%0.75578%0.784SS**  trans-116.2126.5173.2-55.4-48.1000108D870D870-H872 IonicContact OD1-CD2 3.45Å; D870-H872 PolarHBondContact OD1-CD2 3.22Å; D870-H872 IonicContact OD1-CG 2.98Å; D870-H872 PolarHBondContact OD1-N 2.7Å
873D32.8Very low36.5Very low137 Ų137150.6 Ų150.673%0.73379%0.794SS**  cis-145.5164.839.5-160.43.8000114Q875D873-Q875 PolarHBondContact O-N 3.43Å
874L46.5Very low36.6Very low154 Ų154149.2 Ų149.281%0.80679%0.787SS**  trans-86.399.4167.5-82.473.3000109.6
875Q36.1Very low36.8Very low165 Ų165148.1 Ų148.177%0.77179%0.79SS**  trans-127.1105.5164.1-150.969.375.900113.4D873D873-Q875 PolarHBondContact O-N 3.43Å
876L44.2Very low37Very low159 Ų159149.8 Ų149.883%0.83279%0.787SS**  trans-49.9132.5169.7-64.6154.5000112.5
877H33.1Very low37.2Very low162 Ų162153 Ų15375%0.7580%0.798SS**  trans-149.187155.3171.8-91.3000108.8
878W37.6Very low37.2Very low251 Ų251154.2 Ų154.295%0.95180%0.803SS**  trans-120.795.4160.9-92.1113.6000107.1
879D30.5Very low37.7Very low126 Ų126153.1 Ų153.167%0.67481%0.808SS**  trans-167.5146.4168.5-105-35.1000106.8
880S34.3Very low37.2Very low94 Ų94151.5 Ų151.566%0.65780%0.8SS**  cis-161.4-177.7-16.5-133.20000109
881C38.4Very low37.4Very low122 Ų122153.9 Ų153.982%0.82481%0.812SS**  trans72.8115.6-178.1-50.60000113.7
882L34.4Very low36.8Very low246 Ų246161.7 Ų161.7100%1.28882%0.822SS**  cis-145.109.1-109.3163.6000111

Retrieved 882 of 882 residues in 412.2 ms (Link to these results)