A0A5K4F2F6_SCHMA Loading...

PH domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F2F6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 767 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
1M30.9Very low49.5Very low243 Ų24391.8 Ų91.8100%1.19753%0.527SS*.  094.30-73.9179.4164.600109.6
2V32.5Very low52.5Low125 Ų12592.8 Ų92.876%0.75853%0.529SS*.  trans-88.6127.8155.4177.80000105.4N4V2-N4 PolarHBondContact O-N 2.73Å
3S35.8Very low55.4Low79 Ų7988.5 Ų88.555%0.55251%0.506SS*.  trans-70.3124.8-173.1-54.20000111.1S5 K6S3-S5 VanDerWaalsContact CB-OG 3.3Å; S3-S5 WeakPolarHBondContact CB-OG 3.48Å; S3-S5 PolarHBondContact O-N 2.73Å; S3-K6 WeakPolarHBondContact O-CB 3.43Å; S3-K6 PolarHBondContact O-N 2.85Å
4N50.3Low58Low57 Ų5785.3 Ų85.331%0.30549%0.486SS..G310 helixtrans-58.7-18.7177-71.6-23.4000113.1V2 K6 V7 V77 T78V2-N4 PolarHBondContact O-N 2.73Å; N4-K6 PolarHBondContact O-N 2.82Å; N4-K6 VanDerWaalsContact O-N 3.14Å; N4-V7 WeakPolarHBondContact O-CB 3.34Å; N4-V7 PolarHBondContact O-N 2.94Å; N4-V7 VanDerWaalsContact O-N 3.08Å; N4-V77 WeakPolarHBondContact CB-O 3.48Å; N4-V77 PolarHBondContact ND2-O 3.41Å; N4-T78 PolarHBondContact ND2-O 2.87Å
5S49Very low60.5Low83 Ų8381.4 Ų81.458%0.5846%0.463SS*.G310 helixtrans-55.7-23.8168.6560000114.2S3 V7 S9S3-S5 VanDerWaalsContact CB-OG 3.3Å; S3-S5 WeakPolarHBondContact CB-OG 3.48Å; S3-S5 PolarHBondContact O-N 2.73Å; S5-V7 VanDerWaalsContact C-N 3.3Å; S5-V7 PolarHBondContact O-N 3.27Å; S5-S9 PolarHBondContact O-N 2.78Å
6K48.2Very low62.6Low130 Ų13079.7 Ų79.757%0.56546%0.457SS*.G310 helixtrans-68.2-30.5176.6-159.3179.2-177.4-171.20112.3S3 N4 L8 S9 T10S3-K6 WeakPolarHBondContact O-CB 3.43Å; S3-K6 PolarHBondContact O-N 2.85Å; N4-K6 PolarHBondContact O-N 2.82Å; N4-K6 VanDerWaalsContact O-N 3.14Å; K6-L8 VanDerWaalsContact C-N 3.34Å; K6-L8 PolarHBondContact O-N 2.88Å; K6-S9 PolarHBondContact O-N 3.3Å; K6-T10 HydrophobicContact CG-CG2 4.31Å; K6-T10 PolarHBondContact O-N 3.3Å; K6-T10 VanDerWaalsContact O-N 3.13Å; K6-T10 PolarHBondContact O-OG1 3.2Å
7V53Low64.6Low28 Ų2876 Ų7617%0.1744%0.44CS..G310 helixtrans-57.4-47.5177.8175.80000111N4 S5 S9 G11 Y57N4-V7 WeakPolarHBondContact O-CB 3.34Å; N4-V7 PolarHBondContact O-N 2.94Å; N4-V7 VanDerWaalsContact O-N 3.08Å; S5-V7 VanDerWaalsContact C-N 3.3Å; S5-V7 PolarHBondContact O-N 3.27Å; V7-S9 PolarHBondContact O-N 2.91Å; V7-G11 PolarHBondContact O-N 3.11Å; V7-Y57 HydrophobicContact CG1-CD1 4.28Å; V7-Y57 HydrophobicContact CG1-CD2 4.22Å; V7-Y57 HydrophobicContact CG1-CE1 3.72Å; V7-Y57 HydrophobicContact CG1-CE2 3.65Å
8L56.9Low66.3Low83 Ų8373.6 Ų73.644%0.43542%0.423SS..G310 helixtrans-75.6-5.3177.1-62.6175.2000114.1K6 V13 I55 V77K6-L8 VanDerWaalsContact C-N 3.34Å; K6-L8 PolarHBondContact O-N 2.88Å; L8-V13 HydrophobicContact CD2-CG2 4.27Å; L8-I55 HydrophobicContact CD2-CD1 4.28Å; L8-V77 HydrophobicContact CD1-CB 4.46Å; L8-V77 HydrophobicContact CD1-CG2 4.08Å
9S57.6Low67.8Low94 Ų9469.8 Ų69.866%0.65740%0.401SS*.G310 helixtrans-108.5-12-175.9-174.70000113.8S5 K6 V7S5-S9 PolarHBondContact O-N 2.78Å; K6-S9 PolarHBondContact O-N 3.3Å; V7-S9 PolarHBondContact O-N 2.91Å
10T60Low69Low78 Ų7869.5 Ų69.548%0.47940%0.397SS..SBendtrans-137.114.3178.765.90000112.5K6K6-T10 HydrophobicContact CG-CG2 4.31Å; K6-T10 PolarHBondContact O-N 3.3Å; K6-T10 VanDerWaalsContact O-N 3.13Å; K6-T10 PolarHBondContact O-OG1 3.2Å
11G70.5Confident70.1Confident10 Ų1067.1 Ų67.110%0.10338%0.382CS..  trans-128.6125.8-17700000112.1V7 V13 K58V7-G11 PolarHBondContact O-N 3.11Å; G11-V13 PolarHBondContact O-N 3.16Å; G11-K58 CarbonylContact C-O 3.4Å; G11-K58 WeakPolarHBondContact CA-O 3.36Å
12D85.6Confident72.6Confident103 Ų10355.7 Ų55.755%0.55133%0.326SS*.EExtended strand (participates in β ladder)trans-77.8106.2175.8-69.9-32000109I14 Y57 K58 H60D12-I14 PolarHBondContact O-N 2.65Å; D12-Y57 CarbonylContact O-C 3.53Å; D12-Y57 VanDerWaalsContact O-CA 3.27Å; D12-Y57 WeakPolarHBondContact O-CA 3.39Å; D12-K58 HydrophobicContact CB-CB 4.42Å; D12-K58 PolarHBondContact N-O 2.89Å; D12-K58 PolarHBondContact O-N 2.67Å; D12-H60 IonicContact OD2-CD2 3.43Å; D12-H60 PolarHBondContact OD2-CD2 3.29Å; D12-H60 IonicContact OD2-NE2 2.8Å
13V90.2Very high74.6Confident37 Ų3755.2 Ų55.222%0.22431%0.31CS..EExtended strand (participates in β ladder)trans-73.8119.7-179.2-1800000109.7L8 G11 C16 I55L8-V13 HydrophobicContact CD2-CG2 4.27Å; G11-V13 PolarHBondContact O-N 3.16Å; V13-C16 HydrophobicContact CG1-CB 4.07Å; V13-I55 HydrophobicContact CG1-CG2 3.92Å; V13-I55 HydrophobicContact CG2-CG2 4.09Å
14I91.9Very high75.8Confident44 Ų4458.1 Ų58.123%0.22631%0.309CS..EExtended strand (participates in β ladder)trans-84-50.2179.2-57.9177.1000110D12 L56 K58 I67 H133 V137D12-I14 PolarHBondContact O-N 2.65Å; I14-L56 HydrophobicContact CB-CD2 4.4Å; I14-L56 HydrophobicContact CB-CG 4.41Å; I14-L56 HydrophobicContact CD1-CD2 4.45Å; I14-L56 HydrophobicContact CD1-CG 4.32Å; I14-L56 HydrophobicContact CG2-CD2 4.34Å; I14-L56 PolarHBondContact N-O 3.45Å; I14-K58 HydrophobicContact CD1-CD 3.99Å; I14-K58 HydrophobicContact CD1-CG 4.04Å; I14-K58 HydrophobicContact CG1-CD 4.5Å; I14-I67 HydrophobicContact CD1-CG2 4.33Å; I14-H133 HydrophobicContact CG2-CB 4.22Å; I14-H133 VanDerWaalsContact CG2-CD2 3.42Å; I14-H133 WeakPolarHBondContact CG2-CD2 3.46Å; I14-V137 HydrophobicContact CD1-CG2 3.53Å
15I94.7Very high76Confident27 Ų2756.1 Ų56.114%0.13830%0.298CS..EExtended strand (participates in β ladder)trans-155.2141.7179.2-179.2167.8000109.4L56 D129 W130 H133I15-L56 HydrophobicContact CG2-CB 3.77Å; I15-L56 HydrophobicContact CG2-CD2 3.83Å; I15-L56 HydrophobicContact CG2-CG 4.43Å; I15-L56 PolarHBondContact N-O 3.2Å; I15-L56 PolarHBondContact O-N 3.31Å; I15-D129 HydrophobicContact CD1-CB 4.1Å; I15-W130 HydrophobicContact CD1-CD2 3.98Å; I15-W130 HydrophobicContact CD1-CE3 4.36Å; I15-W130 HydrophobicContact CD1-CG 4.16Å; I15-W130 HydrophobicContact CG1-CD2 4.29Å; I15-W130 HydrophobicContact CG1-CE3 4.42Å; I15-W130 HydrophobicContact CG1-CH2 4.27Å; I15-W130 HydrophobicContact CG1-CZ2 4.16Å; I15-W130 HydrophobicContact CG1-CZ3 4.4Å; I15-W130 HydrophobicContact CG2-CD2 4.45Å; I15-W130 HydrophobicContact CG2-CE3 3.79Å; I15-W130 HydrophobicContact CG2-CH2 4.17Å; I15-W130 HydrophobicContact CG2-CZ3 3.62Å; I15-H133 HydrophobicContact CG2-CB 3.9Å
16C95.1Very high76Confident54 Ų5456 Ų5637%0.36529%0.288SS..EExtended strand (participates in β ladder)trans-143.7153.5176.660.50000110.9V13 Y53 F54 I55V13-C16 HydrophobicContact CG1-CB 4.07Å; C16-Y53 HydrophobicContact CB-CE1 4.28Å; C16-Y53 WeakPolarHBondContact CB-OH 3.27Å; C16-Y53 PolarHBondContact SG-OH 3.44Å; C16-F54 CarbonylContact C-O 3.54Å; C16-F54 WeakPolarHBondContact CA-O 3.11Å; C16-F54 WeakPolarHBondContact CB-O 3.41Å; C16-I55 HydrophobicContact CB-CG1 4.29Å; C16-I55 HydrophobicContact CB-CG2 4.34Å
17G95.5Very high76Confident17 Ų1755.8 Ų55.818%0.17529%0.293CS..EExtended strand (participates in β ladder)trans160.5179.9-176.900000113.8F54G17-F54 PolarHBondContact N-O 3.31Å; G17-F54 PolarHBondContact O-N 3.42Å
18Y95.6Very high75.8Confident33 Ų3358.5 Ų58.513%0.12931%0.306CS..EExtended strand (participates in β ladder)trans-90.1132.9179-71.6-80.3000112.4R51 R52 Y53 E75Y18-R51 HydrophobicContact CD1-CG 3.85Å; Y18-R51 HydrophobicContact CG-CG 4.43Å; Y18-R52 WeakPolarHBondContact CA-O 3.42Å; Y18-Y53 HydrophobicContact CD1-CD2 4.23Å; Y18-Y53 HydrophobicContact CD2-CD2 4.03Å; Y18-Y53 HydrophobicContact CE1-CD2 4.06Å; Y18-Y53 HydrophobicContact CE1-CG 4.45Å; Y18-Y53 AromaticContact CE2-CD2 3.84Å; Y18-Y53 HydrophobicContact CE2-CD2 3.84Å; Y18-Y53 HydrophobicContact CE2-CE2 4.39Å; Y18-Y53 HydrophobicContact CG-CD2 4.23Å; Y18-Y53 AromaticContact CZ-CD2 3.86Å; Y18-E75 HydrophobicContact CE2-CB 4.49Å; Y18-E75 VanDerWaalsContact CE2-OE2 3.24Å; Y18-E75 WeakPolarHBondContact CE2-OE2 3.28Å; Y18-E75 VanDerWaalsContact CZ-OE2 3.31Å; Y18-E75 WeakPolarHBondContact OH-CB 3.05Å; Y18-E75 WeakPolarHBondContact OH-CG 3.46Å; Y18-E75 PolarHBondContact OH-N 3.47Å; Y18-E75 PolarHBondContact OH-OE2 3.42Å
19L94.6Very high75.5Confident2 Ų259 Ų591%0.0130%0.302CS..EExtended strand (participates in β ladder)trans-127.3154.2165.1-62171.6000109.5R52 F54 F104 F119 A121 W130L19-R52 PolarHBondContact N-O 2.89Å; L19-R52 VanDerWaalsContact N-O 3.08Å; L19-R52 PolarHBondContact O-N 2.79Å; L19-F54 HydrophobicContact CB-CD2 3.71Å; L19-F54 HydrophobicContact CB-CE2 3.67Å; L19-F54 HydrophobicContact CD1-CD2 4.07Å; L19-F54 HydrophobicContact CD1-CE2 4.36Å; L19-F54 HydrophobicContact CD1-CG 4.26Å; L19-F54 HydrophobicContact CG-CD2 4.1Å; L19-F54 HydrophobicContact CG-CE2 4.46Å; L19-F104 HydrophobicContact CD1-CE1 4.29Å; L19-F104 HydrophobicContact CD1-CZ 3.95Å; L19-F104 HydrophobicContact CD2-CE1 4.39Å; L19-F119 HydrophobicContact CD1-CB 4.46Å; L19-F119 HydrophobicContact CD1-CD1 4.31Å; L19-A121 HydrophobicContact CD2-CB 3.81Å; L19-W130 HydrophobicContact CD1-CD2 4.1Å; L19-W130 HydrophobicContact CD1-CG 4.23Å; L19-W130 HydrophobicContact CD2-CG 4.48Å
20M91.9Very high75.2Confident63 Ų6361.2 Ų61.231%0.3130%0.3SS..EExtended strand (participates in β ladder)trans-84.6118.4165.5-63.4-66.7-77.200108.1W49 R51 F119 I120M20-W49 HydrophobicContact CB-CE3 4.3Å; M20-W49 HydrophobicContact CE-CB 3.89Å; M20-R51 VanDerWaalsContact SD-CA 3.51Å; M20-R51 HydrophobicContact SD-CB 3.55Å; M20-R51 VanDerWaalsContact SD-CB 3.55Å; M20-R51 HydrophobicContact SD-CG 4.08Å; M20-R51 PolarHBondContact SD-N 2.75Å; M20-R51 VanDerWaalsContact SD-N 3.44Å; M20-F119 CarbonylContact O-C 3.58Å; M20-F119 WeakPolarHBondContact O-CA 3.37Å; M20-I120 HydrophobicContact CB-CB 4.18Å; M20-I120 PolarHBondContact N-O 2.98Å; M20-I120 PolarHBondContact O-N 2.92Å
21K91.2Very high74.7Confident20 Ų2062.8 Ų62.89%0.08731%0.305CS..EExtended strand (participates in β ladder)trans-104.6131.7177.9-165.7-162172.7-650110.3K50 R52 F54 Y71 F119K21-K50 PolarHBondContact N-O 2.72Å; K21-K50 PolarHBondContact O-N 2.83Å; K21-R52 HydrophobicContact CB-CG 4.48Å; K21-F54 HydrophobicContact CB-CE2 4.23Å; K21-F54 HydrophobicContact CB-CZ 3.89Å; K21-F54 HydrophobicContact CD-CZ 4.07Å; K21-F54 HydrophobicContact CG-CZ 4.03Å; K21-Y71 HydrophobicContact CD-CD1 4.41Å; K21-Y71 HydrophobicContact CD-CD2 4.35Å; K21-Y71 HydrophobicContact CD-CE1 4.05Å; K21-Y71 HydrophobicContact CD-CE2 3.99Å; K21-F119 HydrophobicContact CD-CE1 4.49Å; K21-F119 HydrophobicContact CG-CD1 4.13Å; K21-F119 HydrophobicContact CG-CE1 3.98Å
22S85.1Confident73.9Confident3 Ų365.1 Ų65.12%0.02132%0.315CS..EExtended strand (participates in β ladder)trans-70.8151.7171.8-164.50000112.3I25 Y118S22-I25 VanDerWaalsContact OG-CD1 3.27Å; S22-I25 WeakPolarHBondContact OG-CD1 3.41Å; S22-Y118 PolarHBondContact N-O 2.9Å; S22-Y118 VanDerWaalsContact N-O 3.13Å
23R72.7Confident72.4Confident115 Ų11567 Ų6743%0.43431%0.314SS..  trans-61.7164.8161.4-67.3174.2-153.8-137.314.6109.6I25 L47 D48R23-I25 PolarHBondContact O-N 3.43Å; R23-L47 PolarHBondContact NE-O 2.9Å; R23-L47 PolarHBondContact NH2-O 3.4Å; R23-D48 WeakPolarHBondContact CG-O 3.42Å; R23-D48 PolarHBondContact N-O 2.94Å; R23-D48 IonicContact NE-OD1 3.6Å
24R62Low70.5Confident140 Ų14071.9 Ų71.953%0.52834%0.339SS..  trans-73.993.1174-81.3-175.6173.3158.3-0.2109.2Y117R24-Y117 PolarHBondContact NH2-OH 2.81Å
25I54.7Low68.6Low14 Ų1474.7 Ų74.77%0.07235%0.354CS..Hα-helixtrans-76.7-28.8-172.3-76.1175.1000112.5S22 R23 L27 L28 R29 F44 D48S22-I25 VanDerWaalsContact OG-CD1 3.27Å; S22-I25 WeakPolarHBondContact OG-CD1 3.41Å; R23-I25 PolarHBondContact O-N 3.43Å; I25-L27 VanDerWaalsContact C-N 3.3Å; I25-L27 PolarHBondContact O-N 2.96Å; I25-L28 PolarHBondContact O-N 3.38Å; I25-L28 VanDerWaalsContact O-N 3.09Å; I25-R29 HydrophobicContact CG2-CG 3.71Å; I25-R29 WeakPolarHBondContact O-CB 3.3Å; I25-R29 PolarHBondContact O-N 3.33Å; I25-F44 HydrophobicContact CD1-CD1 3.52Å; I25-F44 HydrophobicContact CD1-CE1 3.62Å; I25-D48 HydrophobicContact CD1-CB 3.99Å
26E49.5Very low66.4Low80 Ų8082 Ų8237%0.37439%0.387SS..Hα-helixtrans-55.3-41.5-179.3-77.668.2-157.400113.2K30 Y118E26-K30 WeakPolarHBondContact O-CG 3.32Å; E26-K30 PolarHBondContact O-N 2.9Å; E26-Y118 PolarHBondContact OE1-OH 2.97Å
27L47.7Very low64Low127 Ų12783.9 Ų83.967%0.66540%0.4SS*.Hα-helixtrans-73.3-40.7176.9-69.1176.4000111.8I25 K30 L31I25-L27 VanDerWaalsContact C-N 3.3Å; I25-L27 PolarHBondContact O-N 2.96Å; L27-K30 PolarHBondContact O-N 3.26Å; L27-L31 WeakPolarHBondContact O-CB 3.49Å; L27-L31 PolarHBondContact O-N 3.2Å
28L49.2Very low61.5Low84 Ų8488.1 Ų88.144%0.4442%0.416SS..Hα-helixtrans-68.8-40.2-179.8-135.177.6000111.8I25 L31 L32I25-L28 PolarHBondContact O-N 3.38Å; I25-L28 VanDerWaalsContact O-N 3.09Å; L28-L31 PolarHBondContact O-N 2.98Å; L28-L32 HydrophobicContact CD2-CD1 4.21Å; L28-L32 HydrophobicContact CG-CD1 4.11Å; L28-L32 VanDerWaalsContact O-CB 3.25Å; L28-L32 WeakPolarHBondContact O-CB 3.33Å; L28-L32 WeakPolarHBondContact O-CD1 3.43Å; L28-L32 WeakPolarHBondContact O-CG 3.5Å; L28-L32 PolarHBondContact O-N 3.06Å
29R49.6Very low59.1Low94 Ų9495.7 Ų95.736%0.35545%0.45SS..Hα-helixtrans-61.3-46.1173.1-86.4-177.6112.1109.34.6111.6I25 L31 L32 W33I25-R29 HydrophobicContact CG2-CG 3.71Å; I25-R29 WeakPolarHBondContact O-CB 3.3Å; I25-R29 PolarHBondContact O-N 3.33Å; R29-L31 VanDerWaalsContact C-N 3.35Å; R29-L31 PolarHBondContact O-N 2.91Å; R29-L32 PolarHBondContact O-N 3.5Å; R29-W33 VanDerWaalsContact O-CB 3.26Å; R29-W33 WeakPolarHBondContact O-CB 3.31Å; R29-W33 VanDerWaalsContact O-CG 3.31Å; R29-W33 PolarHBondContact O-N 3.32Å
30K51.4Low56.5Low140 Ų140104.6 Ų104.661%0.60949%0.491SS*.Hα-helixtrans-60.7-43.5176.5-76.1-178.2176-172.10111.8E26 L27 N34E26-K30 WeakPolarHBondContact O-CG 3.32Å; E26-K30 PolarHBondContact O-N 2.9Å; L27-K30 PolarHBondContact O-N 3.26Å; K30-N34 WeakPolarHBondContact O-CB 3.43Å; K30-N34 PolarHBondContact O-N 2.97Å; K30-N34 VanDerWaalsContact O-N 3.16Å; K30-N34 PolarHBondContact O-OD1 2.92Å
31L49.8Very low54.1Low111 Ų111104.8 Ų104.858%0.58150%0.499SS*.Hα-helixtrans-65.4-44177.4-154.579.8000112.4L27 L28 R29 N34 L35L27-L31 WeakPolarHBondContact O-CB 3.49Å; L27-L31 PolarHBondContact O-N 3.2Å; L28-L31 PolarHBondContact O-N 2.98Å; R29-L31 VanDerWaalsContact C-N 3.35Å; R29-L31 PolarHBondContact O-N 2.91Å; L31-N34 PolarHBondContact O-N 3.27Å; L31-L35 WeakPolarHBondContact O-CD1 3.4Å; L31-L35 WeakPolarHBondContact O-CG 3.19Å; L31-L35 PolarHBondContact O-N 3.28Å
32L54.4Low52Low60 Ų60108.9 Ų108.931%0.31453%0.53SS..Hα-helixtrans-75.9-28.6-177.6-70.9167000113.7L28 R29 M38L28-L32 HydrophobicContact CD2-CD1 4.21Å; L28-L32 HydrophobicContact CG-CD1 4.11Å; L28-L32 VanDerWaalsContact O-CB 3.25Å; L28-L32 WeakPolarHBondContact O-CB 3.33Å; L28-L32 WeakPolarHBondContact O-CD1 3.43Å; L28-L32 WeakPolarHBondContact O-CG 3.5Å; L28-L32 PolarHBondContact O-N 3.06Å; R29-L32 PolarHBondContact O-N 3.5Å; L32-M38 HydrophobicContact CB-CG 4.02Å; L32-M38 HydrophobicContact CD2-CG 4.43Å
33W53Low50.1Low143 Ų143116 Ų11654%0.54256%0.563SS.*Hα-helixtrans-67.1-47.5169.1-79-10.9000111R29 L35 H36R29-W33 VanDerWaalsContact O-CB 3.26Å; R29-W33 WeakPolarHBondContact O-CB 3.31Å; R29-W33 VanDerWaalsContact O-CG 3.31Å; R29-W33 PolarHBondContact O-N 3.32Å; W33-L35 PolarHBondContact O-N 3.18Å; W33-L35 VanDerWaalsContact O-N 3.15Å; W33-H36 PolarHBondContact O-N 3.22Å
34N51.5Low49.1Very low139 Ų139112.7 Ų112.774%0.74355%0.551SS**Hα-helixtrans-61.5-23.5177.8-70.67.5000113.3K30 L31K30-N34 WeakPolarHBondContact O-CB 3.43Å; K30-N34 PolarHBondContact O-N 2.97Å; K30-N34 VanDerWaalsContact O-N 3.16Å; K30-N34 PolarHBondContact O-OD1 2.92Å; L31-N34 PolarHBondContact O-N 3.27Å
35L50.6Low48.5Very low103 Ų103108.4 Ų108.454%0.53954%0.543SS..THydrogen-bonded Turntrans-85.5-4.6176.8-76166000114.3L31 W33 C37L31-L35 WeakPolarHBondContact O-CD1 3.4Å; L31-L35 WeakPolarHBondContact O-CG 3.19Å; L31-L35 PolarHBondContact O-N 3.28Å; W33-L35 PolarHBondContact O-N 3.18Å; W33-L35 VanDerWaalsContact O-N 3.15Å; L35-C37 PolarHBondContact O-N 3.08Å; L35-C37 PolarHBondContact O-SG 3.39Å
36H49.4Very low48.4Very low180 Ų180111.4 Ų111.483%0.83356%0.559SS**  trans58.2-3-176.1-103.3-91.6000116.5W33 M38W33-H36 PolarHBondContact O-N 3.22Å; H36-M38 VanDerWaalsContact C-N 3.31Å; H36-M38 PolarHBondContact O-N 3.26Å
37C44Very low48.5Very low93 Ų93114 Ų11463%0.62857%0.574SS**  trans-73.8-12.1-170.9-61.90000115.5L35L35-C37 PolarHBondContact O-N 3.08Å; L35-C37 PolarHBondContact O-SG 3.39Å
38M44.3Very low49.7Very low106 Ų106109.4 Ų109.452%0.52255%0.55SS.*  trans-107118.6-175.3-69.5-73.994.800112L32 H36L32-M38 HydrophobicContact CB-CG 4.02Å; L32-M38 HydrophobicContact CD2-CG 4.43Å; H36-M38 VanDerWaalsContact C-N 3.31Å; H36-M38 PolarHBondContact O-N 3.26Å
39K43.8Very low51.3Low192 Ų192106.3 Ų106.384%0.83553%0.533SS*.  trans-59.9157159.6-72.7177.2176.9173.20109.5S41K39-S41 VanDerWaalsContact C-N 3.27Å; K39-S41 PolarHBondContact O-N 3.13Å
40H41.6Very low53.2Low190 Ų190105.5 Ų105.588%0.8853%0.532SS*.  trans-67.877.9175.2-70.9-104000112.2
41S39.7Very low55.1Low67 Ų67104.3 Ų104.347%0.46952%0.523SS..  trans-83.8120.9156.646.40000109.1K39K39-S41 VanDerWaalsContact C-N 3.27Å; K39-S41 PolarHBondContact O-N 3.13Å
42S47.5Very low57.2Low106 Ų106101.1 Ų101.174%0.74150%0.504SS*.  trans-74.7-16.4169.3420000112.3F44S42-F44 PolarHBondContact O-N 3.33Å
43E46Very low59.2Low153 Ų153100.2 Ų100.272%0.71550%0.496SS*.SBendtrans-70.8122.9-174.3-62.5174.2167.400112.5S45E43-S45 PolarHBondContact O-N 3Å
44F50.3Low61.3Low44 Ų4493.4 Ų93.419%0.19347%0.471CS..  trans-6797.6162-79.8-107.9000108.5I25 S42 I46 W49 I98I25-F44 HydrophobicContact CD1-CD1 3.52Å; I25-F44 HydrophobicContact CD1-CE1 3.62Å; S42-F44 PolarHBondContact O-N 3.33Å; F44-I46 PolarHBondContact O-N 2.99Å; F44-W49 HydrophobicContact CB-CZ2 4.49Å; F44-W49 AromaticContact CD1-CZ2 3.83Å; F44-W49 HydrophobicContact CD1-CZ2 3.83Å; F44-W49 HydrophobicContact CE1-CZ2 4.36Å; F44-W49 HydrophobicContact CG-CZ2 4.36Å; F44-I98 HydrophobicContact CD2-CG2 4.27Å; F44-I98 HydrophobicContact CE2-CG1 4.26Å; F44-I98 HydrophobicContact CE2-CG2 4.48Å; F44-I98 HydrophobicContact CG-CG2 4.41Å; F44-I98 HydrophobicContact CZ-CG1 4.39Å
45S50.9Low63.4Low51 Ų5186.9 Ų86.936%0.35744%0.436SS..  trans-57.2138.6179.885.80000111E43 L47 D48E43-S45 PolarHBondContact O-N 3Å; S45-L47 PolarHBondContact O-N 2.86Å; S45-D48 PolarHBondContact O-N 3.32Å; S45-D48 PolarHBondContact OG-OD2 2.79Å
46I51.5Low65.5Low77 Ų7782 Ų8240%0.39541%0.41SS..G310 helixtrans-58-26.1-174.2-60.8174.6000111.6F44 D48 W49 L582F44-I46 PolarHBondContact O-N 2.99Å; I46-D48 PolarHBondContact O-N 3.26Å; I46-W49 PolarHBondContact O-N 2.83Å; I46-W49 VanDerWaalsContact O-N 3.15Å; I46-L582 HydrophobicContact CD1-CB 4.06Å; I46-L582 VanDerWaalsContact CD1-O 3.32Å; I46-L582 WeakPolarHBondContact CD1-O 3.22Å
47L51.3Low67.6Low134 Ų13473.8 Ų73.870%0.70237%0.372SS*.G310 helixtrans-57.2-24.6176-67159.3000114.7R23 S45R23-L47 PolarHBondContact NE-O 2.9Å; R23-L47 PolarHBondContact NH2-O 3.4Å; S45-L47 PolarHBondContact O-N 2.86Å
48D74.1Confident69.7Low31 Ų3173 Ų7317%0.16636%0.358CS..G310 helixtrans-84.1-14.3180-73.4-55.7000114R23 I25 S45 I46R23-D48 WeakPolarHBondContact CG-O 3.42Å; R23-D48 PolarHBondContact N-O 2.94Å; R23-D48 IonicContact NE-OD1 3.6Å; I25-D48 HydrophobicContact CD1-CB 3.99Å; S45-D48 PolarHBondContact O-N 3.32Å; S45-D48 PolarHBondContact OG-OD2 2.79Å; I46-D48 PolarHBondContact O-N 3.26Å
49W82.2Confident71.8Confident18 Ų1869.4 Ų69.47%0.06834%0.341CS..EExtended strand (participates in β ladder)trans-93.9135.2-180-61.290.4000111.5M20 F44 I46 I98 I120M20-W49 HydrophobicContact CB-CE3 4.3Å; M20-W49 HydrophobicContact CE-CB 3.89Å; F44-W49 HydrophobicContact CB-CZ2 4.49Å; F44-W49 AromaticContact CD1-CZ2 3.83Å; F44-W49 HydrophobicContact CD1-CZ2 3.83Å; F44-W49 HydrophobicContact CE1-CZ2 4.36Å; F44-W49 HydrophobicContact CG-CZ2 4.36Å; I46-W49 PolarHBondContact O-N 2.83Å; I46-W49 VanDerWaalsContact O-N 3.15Å; W49-I98 HydrophobicContact CH2-CG2 4.13Å; W49-I98 HydrophobicContact CZ2-CG2 3.7Å; W49-I120 HydrophobicContact CD2-CD1 3.66Å; W49-I120 HydrophobicContact CE3-CD1 3.58Å; W49-I120 HydrophobicContact CE3-CG1 4.06Å; W49-I120 HydrophobicContact CG-CD1 4.42Å; W49-I120 HydrophobicContact CH2-CD1 3.69Å; W49-I120 HydrophobicContact CH2-CG1 3.8Å; W49-I120 HydrophobicContact CZ2-CD1 3.79Å; W49-I120 HydrophobicContact CZ2-CG1 4.37Å; W49-I120 HydrophobicContact CZ3-CD1 3.59Å; W49-I120 HydrophobicContact CZ3-CG1 3.63Å
50K89.4Confident73.7Confident77 Ų7765.4 Ų65.434%0.33533%0.326SS..EExtended strand (participates in β ladder)trans-127.4122.7177.2-61.2-169.2-176.7-1760110.5K21 R52K21-K50 PolarHBondContact N-O 2.72Å; K21-K50 PolarHBondContact O-N 2.83Å; K50-R52 PolarHBondContact O-N 3.21Å
51R92.3Very high75.5Confident115 Ų11559.5 Ų59.543%0.43431%0.305SS..EExtended strand (participates in β ladder)trans-57.3128.5168.7-162.7176.2-174.8-117.411.5109.1Y18 M20Y18-R51 HydrophobicContact CD1-CG 3.85Å; Y18-R51 HydrophobicContact CG-CG 4.43Å; M20-R51 VanDerWaalsContact SD-CA 3.51Å; M20-R51 HydrophobicContact SD-CB 3.55Å; M20-R51 VanDerWaalsContact SD-CB 3.55Å; M20-R51 HydrophobicContact SD-CG 4.08Å; M20-R51 PolarHBondContact SD-N 2.75Å; M20-R51 VanDerWaalsContact SD-N 3.44Å
52R94.6Very high77.3Confident45 Ų4565.8 Ų65.817%0.1733%0.328CS..EExtended strand (participates in β ladder)trans-138.5148.8177.2-69.3-68.3173.8-101.59.7109.3Y18 L19 K21 K50 F54 Y71 Y72Y18-R52 WeakPolarHBondContact CA-O 3.42Å; L19-R52 PolarHBondContact N-O 2.89Å; L19-R52 VanDerWaalsContact N-O 3.08Å; L19-R52 PolarHBondContact O-N 2.79Å; K21-R52 HydrophobicContact CB-CG 4.48Å; K50-R52 PolarHBondContact O-N 3.21Å; R52-F54 HydrophobicContact CB-CD2 4.15Å; R52-F54 HydrophobicContact CB-CE2 3.64Å; R52-F54 HydrophobicContact CB-CZ 4.31Å; R52-F54 WeakPolarHBondContact O-CD2 3.49Å; R52-Y71 HydrophobicContact CB-CD2 4.35Å; R52-Y71 HydrophobicContact CG-CD2 4.05Å; R52-Y72 WeakPolarHBondContact CD-O 3.49Å
53Y95.9Very high78.7Confident40 Ų4068.5 Ų68.516%0.15733%0.334CS..EExtended strand (participates in β ladder)trans-90.2122.7171.8-171-101.1000108.6C16 Y18 I55 Y71 Y72 D74 E75 V77C16-Y53 HydrophobicContact CB-CE1 4.28Å; C16-Y53 WeakPolarHBondContact CB-OH 3.27Å; C16-Y53 PolarHBondContact SG-OH 3.44Å; Y18-Y53 HydrophobicContact CD1-CD2 4.23Å; Y18-Y53 HydrophobicContact CD2-CD2 4.03Å; Y18-Y53 HydrophobicContact CE1-CD2 4.06Å; Y18-Y53 HydrophobicContact CE1-CG 4.45Å; Y18-Y53 AromaticContact CE2-CD2 3.84Å; Y18-Y53 HydrophobicContact CE2-CD2 3.84Å; Y18-Y53 HydrophobicContact CE2-CE2 4.39Å; Y18-Y53 HydrophobicContact CG-CD2 4.23Å; Y18-Y53 AromaticContact CZ-CD2 3.86Å; Y53-I55 HydrophobicContact CD1-CD1 4.27Å; Y53-I55 HydrophobicContact CD1-CG1 3.96Å; Y53-I55 HydrophobicContact CE1-CD1 3.95Å; Y53-I55 HydrophobicContact CE1-CG1 3.72Å; Y53-Y71 CarbonylContact O-C 3.51Å; Y53-Y71 WeakPolarHBondContact O-CA 3.41Å; Y53-Y72 PolarHBondContact N-O 3.06Å; Y53-Y72 VanDerWaalsContact N-O 3.14Å; Y53-Y72 PolarHBondContact O-N 3.04Å; Y53-D74 VanDerWaalsContact CB-C 3.4Å; Y53-E75 HydrophobicContact CD1-CB 4.46Å; Y53-E75 HydrophobicContact CD2-CB 3.82Å; Y53-E75 HydrophobicContact CE1-CB 4.48Å; Y53-E75 HydrophobicContact CE2-CB 3.87Å; Y53-E75 HydrophobicContact CG-CB 4.12Å; Y53-V77 HydrophobicContact CE1-CG2 4.49Å
54F96.3Very high80.5Confident0 Ų065.7 Ų65.70%032%0.319CS..EExtended strand (participates in β ladder)trans-106.6146.8-177.2-77.5-95.6000110.7C16 G17 L19 K21 R52 F69 D70 Y71 F119 W130C16-F54 CarbonylContact C-O 3.54Å; C16-F54 WeakPolarHBondContact CA-O 3.11Å; C16-F54 WeakPolarHBondContact CB-O 3.41Å; G17-F54 PolarHBondContact N-O 3.31Å; G17-F54 PolarHBondContact O-N 3.42Å; L19-F54 HydrophobicContact CB-CD2 3.71Å; L19-F54 HydrophobicContact CB-CE2 3.67Å; L19-F54 HydrophobicContact CD1-CD2 4.07Å; L19-F54 HydrophobicContact CD1-CE2 4.36Å; L19-F54 HydrophobicContact CD1-CG 4.26Å; L19-F54 HydrophobicContact CG-CD2 4.1Å; L19-F54 HydrophobicContact CG-CE2 4.46Å; K21-F54 HydrophobicContact CB-CE2 4.23Å; K21-F54 HydrophobicContact CB-CZ 3.89Å; K21-F54 HydrophobicContact CD-CZ 4.07Å; K21-F54 HydrophobicContact CG-CZ 4.03Å; R52-F54 HydrophobicContact CB-CD2 4.15Å; R52-F54 HydrophobicContact CB-CE2 3.64Å; R52-F54 HydrophobicContact CB-CZ 4.31Å; R52-F54 WeakPolarHBondContact O-CD2 3.49Å; F54-F69 HydrophobicContact CB-CE2 3.97Å; F54-F69 HydrophobicContact CD1-CD2 4.14Å; F54-F69 AromaticContact CD1-CE2 3.41Å; F54-F69 HydrophobicContact CD1-CE2 3.41Å; F54-F69 VanDerWaalsContact CD1-CE2 3.41Å; F54-F69 AromaticContact CD1-CZ 3.62Å; F54-F69 HydrophobicContact CD1-CZ 3.62Å; F54-F69 HydrophobicContact CE1-CE2 4.28Å; F54-F69 HydrophobicContact CE1-CZ 4.08Å; F54-F69 HydrophobicContact CG-CE2 4.07Å; F54-F69 HydrophobicContact CG-CZ 4.42Å; F54-D70 WeakPolarHBondContact CA-O 3.3Å; F54-Y71 HydrophobicContact CD1-CG 4.41Å; F54-Y71 VanDerWaalsContact CE1-CB 3.46Å; F54-Y71 AromaticContact CE1-CD1 3.81Å; F54-Y71 HydrophobicContact CE1-CD1 3.81Å; F54-Y71 AromaticContact CE1-CG 3.85Å; F54-Y71 HydrophobicContact CE1-CG 3.85Å; F54-Y71 HydrophobicContact CZ-CD1 4.32Å; F54-Y71 HydrophobicContact CZ-CG 4.08Å; F54-F119 HydrophobicContact CE1-CD1 4.15Å; F54-F119 AromaticContact CE1-CE1 3.55Å; F54-F119 HydrophobicContact CE1-CE1 3.55Å; F54-F119 HydrophobicContact CE2-CD1 4.46Å; F54-F119 AromaticContact CZ-CD1 3.79Å; F54-F119 HydrophobicContact CZ-CD1 3.79Å; F54-F119 AromaticContact CZ-CE1 3.54Å; F54-F119 HydrophobicContact CZ-CE1 3.54Å; F54-W130 HydrophobicContact CB-CH2 3.55Å; F54-W130 HydrophobicContact CB-CZ2 3.85Å; F54-W130 HydrophobicContact CB-CZ3 4.34Å
55I95.1Very high82Confident2 Ų266.6 Ų66.61%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-136.7121.9174.8-47.1-179.6000108L8 V13 C16 Y53 Y57 D70 Y72 V77L8-I55 HydrophobicContact CD2-CD1 4.28Å; V13-I55 HydrophobicContact CG1-CG2 3.92Å; V13-I55 HydrophobicContact CG2-CG2 4.09Å; C16-I55 HydrophobicContact CB-CG1 4.29Å; C16-I55 HydrophobicContact CB-CG2 4.34Å; Y53-I55 HydrophobicContact CD1-CD1 4.27Å; Y53-I55 HydrophobicContact CD1-CG1 3.96Å; Y53-I55 HydrophobicContact CE1-CD1 3.95Å; Y53-I55 HydrophobicContact CE1-CG1 3.72Å; I55-Y57 HydrophobicContact CB-CD1 4.34Å; I55-Y57 HydrophobicContact CG2-CD1 3.87Å; I55-Y57 HydrophobicContact CG2-CG 4.43Å; I55-D70 PolarHBondContact N-O 3.11Å; I55-D70 PolarHBondContact O-N 2.9Å; I55-Y72 HydrophobicContact CD1-CD2 4.08Å; I55-Y72 HydrophobicContact CD1-CE2 3.8Å; I55-Y72 HydrophobicContact CG1-CD2 4.3Å; I55-Y72 HydrophobicContact CG1-CE2 4.2Å; I55-V77 HydrophobicContact CD1-CG1 3.97Å; I55-V77 HydrophobicContact CD1-CG2 3.86Å
56L95.1Very high83.7Confident0 Ų067.1 Ų67.10%033%0.325CS..EExtended strand (participates in β ladder)trans-101.4118.8166.8-173.669.1000108I14 I15 I67 F68 F69 L86 W130 H133 L134 V137I14-L56 HydrophobicContact CB-CD2 4.4Å; I14-L56 HydrophobicContact CB-CG 4.41Å; I14-L56 HydrophobicContact CD1-CD2 4.45Å; I14-L56 HydrophobicContact CD1-CG 4.32Å; I14-L56 HydrophobicContact CG2-CD2 4.34Å; I14-L56 PolarHBondContact N-O 3.45Å; I15-L56 HydrophobicContact CG2-CB 3.77Å; I15-L56 HydrophobicContact CG2-CD2 3.83Å; I15-L56 HydrophobicContact CG2-CG 4.43Å; I15-L56 PolarHBondContact N-O 3.2Å; I15-L56 PolarHBondContact O-N 3.31Å; L56-I67 HydrophobicContact CD1-CG2 4.45Å; L56-F68 WeakPolarHBondContact CA-O 3.46Å; L56-F69 HydrophobicContact CB-CD2 4.26Å; L56-F69 HydrophobicContact CD1-CB 3.7Å; L56-F69 HydrophobicContact CD1-CD2 4.12Å; L56-F69 HydrophobicContact CD1-CG 4.04Å; L56-L86 HydrophobicContact CD1-CD1 3.68Å; L56-W130 HydrophobicContact CB-CZ3 4.03Å; L56-H133 HydrophobicContact CD2-CB 4.09Å; L56-L134 HydrophobicContact CD1-CD2 3.94Å; L56-L134 HydrophobicContact CD2-CD2 4.06Å; L56-L134 HydrophobicContact CD2-CG 4.44Å; L56-V137 HydrophobicContact CD1-CG1 4.26Å; L56-V137 HydrophobicContact CD2-CB 4.45Å; L56-V137 HydrophobicContact CD2-CG2 4.03Å
57Y92.9Very high85.6Confident9 Ų965.7 Ų65.74%0.03532%0.318CS..EExtended strand (participates in β ladder)trans-145.9148.5-174.268.8-82.1000113V7 D12 I55 V59 I67 F68 D70 R83V7-Y57 HydrophobicContact CG1-CD1 4.28Å; V7-Y57 HydrophobicContact CG1-CD2 4.22Å; V7-Y57 HydrophobicContact CG1-CE1 3.72Å; V7-Y57 HydrophobicContact CG1-CE2 3.65Å; D12-Y57 CarbonylContact O-C 3.53Å; D12-Y57 VanDerWaalsContact O-CA 3.27Å; D12-Y57 WeakPolarHBondContact O-CA 3.39Å; I55-Y57 HydrophobicContact CB-CD1 4.34Å; I55-Y57 HydrophobicContact CG2-CD1 3.87Å; I55-Y57 HydrophobicContact CG2-CG 4.43Å; Y57-V59 HydrophobicContact CD2-CG2 3.77Å; Y57-V59 HydrophobicContact CE2-CG2 3.5Å; Y57-I67 WeakPolarHBondContact O-CA 3.47Å; Y57-I67 WeakPolarHBondContact O-CG2 3.49Å; Y57-F68 HydrophobicContact CD1-CB 4.15Å; Y57-F68 HydrophobicContact CD2-CD2 4.32Å; Y57-F68 HydrophobicContact CE1-CB 3.57Å; Y57-F68 HydrophobicContact CE2-CB 4.08Å; Y57-F68 AromaticContact CE2-CD2 3.58Å; Y57-F68 HydrophobicContact CE2-CD2 3.58Å; Y57-F68 HydrophobicContact CE2-CG 4.27Å; Y57-F68 AromaticContact CZ-CD2 3.72Å; Y57-F68 AromaticContact CZ-CG 3.97Å; Y57-F68 PolarHBondContact N-O 3.39Å; Y57-F68 PolarHBondContact O-N 3.41Å; Y57-D70 HydrophobicContact CE1-CB 4.21Å; Y57-D70 PolarHBondContact OH-OD2 3.08Å; Y57-R83 PolarHBondContact OH-NH2 3.23Å
58K90.1Very high87.5Confident77 Ų7761 Ų6134%0.33529%0.292SS..EExtended strand (participates in β ladder)trans-94141.9173.4-82.9162.6176.4-177.80110.3G11 D12 I14 T65 E66 I67G11-K58 CarbonylContact C-O 3.4Å; G11-K58 WeakPolarHBondContact CA-O 3.36Å; D12-K58 HydrophobicContact CB-CB 4.42Å; D12-K58 PolarHBondContact N-O 2.89Å; D12-K58 PolarHBondContact O-N 2.67Å; I14-K58 HydrophobicContact CD1-CD 3.99Å; I14-K58 HydrophobicContact CD1-CG 4.04Å; I14-K58 HydrophobicContact CG1-CD 4.5Å; K58-T65 HydrophobicContact CB-CG2 4.06Å; K58-T65 HydrophobicContact CD-CG2 4.31Å; K58-T65 HydrophobicContact CG-CG2 3.89Å; K58-E66 CarbonylContact C-O 3.56Å; K58-E66 WeakPolarHBondContact CA-O 3.14Å; K58-I67 HydrophobicContact CG-CB 4.49Å; K58-I67 HydrophobicContact CG-CD1 4.11Å; K58-I67 HydrophobicContact CG-CG1 3.92Å; K58-I67 HydrophobicContact CG-CG2 4.04Å
59V87Confident88.5Confident29 Ų2959.6 Ų59.618%0.17629%0.285CS..EExtended strand (participates in β ladder)trans-121.3117.2166.9179.90000108.4Y57 S61 E66 F68Y57-V59 HydrophobicContact CD2-CG2 3.77Å; Y57-V59 HydrophobicContact CE2-CG2 3.5Å; V59-S61 PolarHBondContact O-N 3.18Å; V59-E66 PolarHBondContact N-O 2.92Å; V59-E66 PolarHBondContact O-N 3.46Å; V59-F68 HydrophobicContact CB-CD2 4.49Å; V59-F68 HydrophobicContact CB-CE2 4.01Å; V59-F68 HydrophobicContact CG2-CD2 3.87Å; V59-F68 HydrophobicContact CG2-CE2 3.75Å
60H83.8Confident89.1Confident109 Ų10958.9 Ų58.951%0.50528%0.282SS..EExtended strand (participates in β ladder)trans-84.4105.5178.3-67.6-70.6000110.1D12 T65D12-H60 IonicContact OD2-CD2 3.43Å; D12-H60 PolarHBondContact OD2-CD2 3.29Å; D12-H60 IonicContact OD2-NE2 2.8Å; H60-T65 WeakPolarHBondContact CE1-CG2 3.3Å; H60-T65 PolarHBondContact CE1-OG1 2.83Å; H60-T65 PolarHBondContact ND1-OG1 3.28Å
61S79.6Confident89.3Confident65 Ų6556.9 Ų56.946%0.45527%0.272SS..EExtended strand (participates in β ladder)trans-96.7156.5165.5-62.30000109.6V59 N63 K64V59-S61 PolarHBondContact O-N 3.18Å; S61-N63 PolarHBondContact O-N 2.92Å; S61-K64 CarbonylContact C-O 3.57Å; S61-K64 WeakPolarHBondContact CA-O 3.33Å; S61-K64 WeakPolarHBondContact CB-O 3.38Å; S61-K64 PolarHBondContact N-O 3.32Å; S61-K64 PolarHBondContact O-N 3.31Å
62Q76.8Confident89.5Confident200 Ų20051.5 Ų51.594%0.93525%0.252SS*.THydrogen-bonded Turntrans-49-35.9-170.9-69.7175.8-33.900114.6
63N77.7Confident89.3Confident162 Ų16254.8 Ų54.887%0.86627%0.268SS*.THydrogen-bonded Turntrans-118.4-3.1-174.9-57.3-2.2000114.1S61S61-N63 PolarHBondContact O-N 2.92Å
64K83.2Confident89.1Confident94 Ų9454.1 Ų54.141%0.40927%0.267SS..EExtended strand (participates in β ladder)trans-154.3134.5-176.9-174.1-175.9171.9-1600109.8S61 E66 E87S61-K64 CarbonylContact C-O 3.57Å; S61-K64 WeakPolarHBondContact CA-O 3.33Å; S61-K64 WeakPolarHBondContact CB-O 3.38Å; S61-K64 PolarHBondContact N-O 3.32Å; S61-K64 PolarHBondContact O-N 3.31Å; K64-E66 HydrophobicContact CD-CG 3.77Å; K64-E66 WeakPolarHBondContact CD-OE1 3.22Å; K64-E66 WeakPolarHBondContact CE-OE1 3.29Å; K64-E66 HydrophobicContact CG-CG 3.99Å; K64-E66 IonicContact NZ-OE1 2.83Å; K64-E66 PolarHBondContact NZ-OE1 3.43Å; K64-E87 IonicContact NZ-OE1 3.54Å; K64-E87 PolarHBondContact NZ-OE1 3.06Å
65T83.3Confident88.9Confident64 Ų6459 Ų5939%0.39329%0.29SS..EExtended strand (participates in β ladder)trans-88.8118.5161.9-58.60000107.9K58 H60K58-T65 HydrophobicContact CB-CG2 4.06Å; K58-T65 HydrophobicContact CD-CG2 4.31Å; K58-T65 HydrophobicContact CG-CG2 3.89Å; H60-T65 WeakPolarHBondContact CE1-CG2 3.3Å; H60-T65 PolarHBondContact CE1-OG1 2.83Å; H60-T65 PolarHBondContact ND1-OG1 3.28Å
66E86.6Confident88.5Confident61 Ų6162.9 Ų62.929%0.28531%0.313SS..EExtended strand (participates in β ladder)trans-99.5144.8175.4-54.5-155.4125.300109.7K58 V59 K64 F68K58-E66 CarbonylContact C-O 3.56Å; K58-E66 WeakPolarHBondContact CA-O 3.14Å; V59-E66 PolarHBondContact N-O 2.92Å; V59-E66 PolarHBondContact O-N 3.46Å; K64-E66 HydrophobicContact CD-CG 3.77Å; K64-E66 WeakPolarHBondContact CD-OE1 3.22Å; K64-E66 WeakPolarHBondContact CE-OE1 3.29Å; K64-E66 HydrophobicContact CG-CG 3.99Å; K64-E66 IonicContact NZ-OE1 2.83Å; K64-E66 PolarHBondContact NZ-OE1 3.43Å; E66-F68 HydrophobicContact CB-CE1 4.3Å; E66-F68 HydrophobicContact CB-CE2 3.81Å; E66-F68 HydrophobicContact CB-CZ 3.58Å; E66-F68 HydrophobicContact CG-CZ 4.5Å
67I89.8Confident88.2Confident48 Ų4863.3 Ų63.325%0.24632%0.316CS..EExtended strand (participates in β ladder)trans-127125.8-175.8-36.5-175.8000109.5I14 L56 Y57 K58 V137I14-I67 HydrophobicContact CD1-CG2 4.33Å; L56-I67 HydrophobicContact CD1-CG2 4.45Å; Y57-I67 WeakPolarHBondContact O-CA 3.47Å; Y57-I67 WeakPolarHBondContact O-CG2 3.49Å; K58-I67 HydrophobicContact CG-CB 4.49Å; K58-I67 HydrophobicContact CG-CD1 4.11Å; K58-I67 HydrophobicContact CG-CG1 3.92Å; K58-I67 HydrophobicContact CG-CG2 4.04Å; I67-V137 HydrophobicContact CB-CG1 3.97Å; I67-V137 HydrophobicContact CD1-CG1 3.94Å; I67-V137 HydrophobicContact CD1-CG2 4.37Å; I67-V137 HydrophobicContact CG2-CB 4.5Å; I67-V137 HydrophobicContact CG2-CG1 3.49Å; I67-V137 VanDerWaalsContact CG2-CG1 3.49Å; I67-V137 HydrophobicContact CG2-CG2 4.16Å
68F92.4Very high87.7Confident36 Ų3667.6 Ų67.616%0.15834%0.344CS..EExtended strand (participates in β ladder)trans-121.1136.7-171.1-58.1-63.4000110.5L56 Y57 V59 E66L56-F68 WeakPolarHBondContact CA-O 3.46Å; Y57-F68 HydrophobicContact CD1-CB 4.15Å; Y57-F68 HydrophobicContact CD2-CD2 4.32Å; Y57-F68 HydrophobicContact CE1-CB 3.57Å; Y57-F68 HydrophobicContact CE2-CB 4.08Å; Y57-F68 AromaticContact CE2-CD2 3.58Å; Y57-F68 HydrophobicContact CE2-CD2 3.58Å; Y57-F68 HydrophobicContact CE2-CG 4.27Å; Y57-F68 AromaticContact CZ-CD2 3.72Å; Y57-F68 AromaticContact CZ-CG 3.97Å; Y57-F68 PolarHBondContact N-O 3.39Å; Y57-F68 PolarHBondContact O-N 3.41Å; V59-F68 HydrophobicContact CB-CD2 4.49Å; V59-F68 HydrophobicContact CB-CE2 4.01Å; V59-F68 HydrophobicContact CG2-CD2 3.87Å; V59-F68 HydrophobicContact CG2-CE2 3.75Å; E66-F68 HydrophobicContact CB-CE1 4.3Å; E66-F68 HydrophobicContact CB-CE2 3.81Å; E66-F68 HydrophobicContact CB-CZ 3.58Å; E66-F68 HydrophobicContact CG-CZ 4.5Å
69F94.8Very high87.6Confident1 Ų167.7 Ų67.70%0.00434%0.344CS..EExtended strand (participates in β ladder)trans-119.589.8174.9-174.8-151.9000108.6F54 L56 V84 L86 I106 F119 W130 L134F54-F69 HydrophobicContact CB-CE2 3.97Å; F54-F69 HydrophobicContact CD1-CD2 4.14Å; F54-F69 AromaticContact CD1-CE2 3.41Å; F54-F69 HydrophobicContact CD1-CE2 3.41Å; F54-F69 VanDerWaalsContact CD1-CE2 3.41Å; F54-F69 AromaticContact CD1-CZ 3.62Å; F54-F69 HydrophobicContact CD1-CZ 3.62Å; F54-F69 HydrophobicContact CE1-CE2 4.28Å; F54-F69 HydrophobicContact CE1-CZ 4.08Å; F54-F69 HydrophobicContact CG-CE2 4.07Å; F54-F69 HydrophobicContact CG-CZ 4.42Å; L56-F69 HydrophobicContact CB-CD2 4.26Å; L56-F69 HydrophobicContact CD1-CB 3.7Å; L56-F69 HydrophobicContact CD1-CD2 4.12Å; L56-F69 HydrophobicContact CD1-CG 4.04Å; F69-V84 HydrophobicContact CB-CB 4.24Å; F69-V84 HydrophobicContact CD1-CB 3.55Å; F69-V84 HydrophobicContact CD1-CG1 3.9Å; F69-V84 HydrophobicContact CD1-CG2 3.72Å; F69-V84 HydrophobicContact CE1-CB 4.25Å; F69-V84 HydrophobicContact CE1-CG1 4.4Å; F69-V84 HydrophobicContact CE1-CG2 4Å; F69-V84 HydrophobicContact CG-CB 4.19Å; F69-V84 HydrophobicContact CG-CG2 4.37Å; F69-V84 PolarHBondContact O-N 2.78Å; F69-L86 HydrophobicContact CB-CD1 3.64Å; F69-L86 HydrophobicContact CB-CG 3.92Å; F69-L86 HydrophobicContact CD1-CD1 4.41Å; F69-L86 HydrophobicContact CD1-CD2 4.18Å; F69-L86 HydrophobicContact CD1-CG 4.4Å; F69-L86 HydrophobicContact CG-CD1 4.35Å; F69-I106 HydrophobicContact CD1-CD1 4.28Å; F69-I106 HydrophobicContact CE1-CD1 3.73Å; F69-F119 HydrophobicContact CE1-CZ 4.16Å; F69-W130 HydrophobicContact CD2-CZ3 4.12Å; F69-W130 AromaticContact CE2-CE3 3.93Å; F69-W130 HydrophobicContact CE2-CE3 3.93Å; F69-W130 HydrophobicContact CE2-CH2 4.01Å; F69-W130 AromaticContact CE2-CZ3 3.36Å; F69-W130 HydrophobicContact CE2-CZ3 3.36Å; F69-W130 HydrophobicContact CZ-CE3 4.22Å; F69-W130 HydrophobicContact CZ-CZ3 4.09Å; F69-L134 HydrophobicContact CD1-CD2 3.61Å; F69-L134 HydrophobicContact CD2-CD2 4.35Å; F69-L134 HydrophobicContact CE1-CD1 4.05Å; F69-L134 HydrophobicContact CE1-CD2 3.69Å; F69-L134 HydrophobicContact CE2-CD2 4.38Å; F69-L134 HydrophobicContact CG-CD2 4Å; F69-L134 HydrophobicContact CZ-CD1 4.16Å; F69-L134 HydrophobicContact CZ-CD2 4.08Å
70D94.3Very high87.8Confident2 Ų269.5 Ų69.51%0.01135%0.35CS..EExtended strand (participates in β ladder)trans-106.9150.3-170.5-74.9-6.9000111.3F54 I55 Y57 Y72 F80 R83F54-D70 WeakPolarHBondContact CA-O 3.3Å; I55-D70 PolarHBondContact N-O 3.11Å; I55-D70 PolarHBondContact O-N 2.9Å; Y57-D70 HydrophobicContact CE1-CB 4.21Å; Y57-D70 PolarHBondContact OH-OD2 3.08Å; D70-Y72 HydrophobicContact CB-CE2 3.85Å; D70-F80 HydrophobicContact CB-CE2 4.03Å; D70-R83 VanDerWaalsContact OD1-CB 3.28Å; D70-R83 WeakPolarHBondContact OD1-CB 3.49Å; D70-R83 VanDerWaalsContact OD1-CG 3.24Å; D70-R83 WeakPolarHBondContact OD1-CG 3.45Å; D70-R83 IonicContact OD1-CZ 2.66Å; D70-R83 IonicContact OD1-NE 3.58Å; D70-R83 PolarHBondContact OD1-NE 3.31Å; D70-R83 IonicContact OD1-NH2 2.72Å; D70-R83 PolarHBondContact OD1-NH2 3.04Å; D70-R83 IonicContact OD2-CZ 3.79Å; D70-R83 IonicContact OD2-NE 2.71Å; D70-R83 IonicContact OD2-NH2 3.83Å; D70-R83 PolarHBondContact OD2-NH2 3.47Å
71Y94.5Very high88.2Confident35 Ų3566.9 Ų66.914%0.13734%0.337CS..EExtended strand (participates in β ladder)trans-131.9141.6177.666.3-91.6000113.6K21 R52 Y53 F54 K81 G82 V84K21-Y71 HydrophobicContact CD-CD1 4.41Å; K21-Y71 HydrophobicContact CD-CD2 4.35Å; K21-Y71 HydrophobicContact CD-CE1 4.05Å; K21-Y71 HydrophobicContact CD-CE2 3.99Å; R52-Y71 HydrophobicContact CB-CD2 4.35Å; R52-Y71 HydrophobicContact CG-CD2 4.05Å; Y53-Y71 CarbonylContact O-C 3.51Å; Y53-Y71 WeakPolarHBondContact O-CA 3.41Å; F54-Y71 HydrophobicContact CD1-CG 4.41Å; F54-Y71 VanDerWaalsContact CE1-CB 3.46Å; F54-Y71 AromaticContact CE1-CD1 3.81Å; F54-Y71 HydrophobicContact CE1-CD1 3.81Å; F54-Y71 AromaticContact CE1-CG 3.85Å; F54-Y71 HydrophobicContact CE1-CG 3.85Å; F54-Y71 HydrophobicContact CZ-CD1 4.32Å; F54-Y71 HydrophobicContact CZ-CG 4.08Å; Y71-K81 HydrophobicContact CD2-CB 3.8Å; Y71-K81 HydrophobicContact CE2-CB 3.73Å; Y71-K81 WeakPolarHBondContact CE2-O 3.22Å; Y71-K81 WeakPolarHBondContact O-CA 3.3Å; Y71-K81 PolarHBondContact O-N 2.92Å; Y71-K81 PolarHBondContact OH-O 2.83Å; Y71-G82 VanDerWaalsContact CD1-O 3.25Å; Y71-G82 WeakPolarHBondContact CD1-O 3.49Å; Y71-G82 VanDerWaalsContact CE1-C 3.45Å; Y71-G82 PolarHBondContact N-O 2.72Å; Y71-G82 PolarHBondContact O-N 2.66Å; Y71-V84 HydrophobicContact CD1-CG2 4.48Å
72Y95Very high88.8Confident2 Ų264.5 Ų64.51%0.00832%0.322CS..EExtended strand (participates in β ladder)trans-122.7163.8-171.5-61.4-95000109.9R52 Y53 I55 D70 D74 V77 K79 F80R52-Y72 WeakPolarHBondContact CD-O 3.49Å; Y53-Y72 PolarHBondContact N-O 3.06Å; Y53-Y72 VanDerWaalsContact N-O 3.14Å; Y53-Y72 PolarHBondContact O-N 3.04Å; I55-Y72 HydrophobicContact CD1-CD2 4.08Å; I55-Y72 HydrophobicContact CD1-CE2 3.8Å; I55-Y72 HydrophobicContact CG1-CD2 4.3Å; I55-Y72 HydrophobicContact CG1-CE2 4.2Å; D70-Y72 HydrophobicContact CB-CE2 3.85Å; Y72-D74 PolarHBondContact O-N 2.93Å; Y72-V77 HydrophobicContact CD1-CB 4.29Å; Y72-V77 HydrophobicContact CD1-CG1 3.7Å; Y72-V77 WeakPolarHBondContact CD1-O 3.39Å; Y72-V77 HydrophobicContact CD2-CG1 4.11Å; Y72-V77 HydrophobicContact CE1-CB 4.42Å; Y72-V77 HydrophobicContact CE1-CG1 3.4Å; Y72-V77 VanDerWaalsContact CE1-CG1 3.4Å; Y72-V77 WeakPolarHBondContact CE1-O 3.41Å; Y72-V77 HydrophobicContact CE2-CG1 3.83Å; Y72-V77 HydrophobicContact CG-CG1 4.07Å; Y72-V77 VanDerWaalsContact CZ-CG1 3.47Å; Y72-K79 CarbonylContact C-O 3.46Å; Y72-K79 WeakPolarHBondContact CA-O 3.46Å; Y72-F80 VanDerWaalsContact CD1-CA 3.49Å; Y72-F80 HydrophobicContact CD1-CB 4.16Å; Y72-F80 HydrophobicContact CE1-CB 3.93Å; Y72-F80 AromaticContact CE1-CD2 3.98Å; Y72-F80 HydrophobicContact CE1-CD2 3.98Å; Y72-F80 HydrophobicContact CE1-CG 4.47Å
73K91.5Very high89.5Confident115 Ų11559.7 Ų59.750%0.530%0.295SS..SBendtrans-54.4-43.4174179.5-178.4161.4-870111.6K79K73-K79 HydrophobicContact CB-CB 4.15Å; K73-K79 PolarHBondContact N-O 2.98Å
74D91.6Very high90.1Very high26 Ų2652.1 Ų52.114%0.13926%0.255CS..SBendtrans-160.8173.6-171.146.957.4000110.3Y53 Y72 T76 V77Y53-D74 VanDerWaalsContact CB-C 3.4Å; Y72-D74 PolarHBondContact O-N 2.93Å; D74-T76 PolarHBondContact O-N 3.08Å; D74-T76 WeakPolarHBondContact OD1-CB 3.24Å; D74-T76 WeakPolarHBondContact OD1-CG2 3.37Å; D74-T76 PolarHBondContact OD1-N 3.32Å; D74-T76 PolarHBondContact OD1-OG1 3.19Å; D74-V77 PolarHBondContact O-N 3.14Å
75E91.2Very high90.2Very high102 Ų10249.6 Ų49.648%0.47725%0.246SC..THydrogen-bonded Turntrans-59.9-8.7-179.767.4-158.1-139.500115.8Y18 Y53 V77Y18-E75 HydrophobicContact CE2-CB 4.49Å; Y18-E75 VanDerWaalsContact CE2-OE2 3.24Å; Y18-E75 WeakPolarHBondContact CE2-OE2 3.28Å; Y18-E75 VanDerWaalsContact CZ-OE2 3.31Å; Y18-E75 WeakPolarHBondContact OH-CB 3.05Å; Y18-E75 WeakPolarHBondContact OH-CG 3.46Å; Y18-E75 PolarHBondContact OH-N 3.47Å; Y18-E75 PolarHBondContact OH-OE2 3.42Å; Y53-E75 HydrophobicContact CD1-CB 4.46Å; Y53-E75 HydrophobicContact CD2-CB 3.82Å; Y53-E75 HydrophobicContact CE1-CB 4.48Å; Y53-E75 HydrophobicContact CE2-CB 3.87Å; Y53-E75 HydrophobicContact CG-CB 4.12Å; E75-V77 WeakPolarHBondContact O-CG2 3.34Å; E75-V77 PolarHBondContact O-N 3.47Å
76T87.8Confident90.5Very high83 Ų8347 Ų4751%0.50923%0.23SC..THydrogen-bonded Turntrans-71-14.7176.773.30000112.6D74 T78D74-T76 PolarHBondContact O-N 3.08Å; D74-T76 WeakPolarHBondContact OD1-CB 3.24Å; D74-T76 WeakPolarHBondContact OD1-CG2 3.37Å; D74-T76 PolarHBondContact OD1-N 3.32Å; D74-T76 PolarHBondContact OD1-OG1 3.19Å; T76-T78 PolarHBondContact O-N 3.48Å; T76-T78 WeakPolarHBondContact OG1-CG2 3.41Å; T76-T78 PolarHBondContact OG1-N 3.06Å; T76-T78 PolarHBondContact OG1-OG1 3.48Å
77V88.4Confident90.4Very high9 Ų949.8 Ų49.86%0.05524%0.243CC..  trans58.89.1-177.3-160.20000112.9N4 L8 Y53 I55 Y72 D74 E75N4-V77 WeakPolarHBondContact CB-O 3.48Å; N4-V77 PolarHBondContact ND2-O 3.41Å; L8-V77 HydrophobicContact CD1-CB 4.46Å; L8-V77 HydrophobicContact CD1-CG2 4.08Å; Y53-V77 HydrophobicContact CE1-CG2 4.49Å; I55-V77 HydrophobicContact CD1-CG1 3.97Å; I55-V77 HydrophobicContact CD1-CG2 3.86Å; Y72-V77 HydrophobicContact CD1-CB 4.29Å; Y72-V77 HydrophobicContact CD1-CG1 3.7Å; Y72-V77 WeakPolarHBondContact CD1-O 3.39Å; Y72-V77 HydrophobicContact CD2-CG1 4.11Å; Y72-V77 HydrophobicContact CE1-CB 4.42Å; Y72-V77 HydrophobicContact CE1-CG1 3.4Å; Y72-V77 VanDerWaalsContact CE1-CG1 3.4Å; Y72-V77 WeakPolarHBondContact CE1-O 3.41Å; Y72-V77 HydrophobicContact CE2-CG1 3.83Å; Y72-V77 HydrophobicContact CG-CG1 4.07Å; Y72-V77 VanDerWaalsContact CZ-CG1 3.47Å; D74-V77 PolarHBondContact O-N 3.14Å; E75-V77 WeakPolarHBondContact O-CG2 3.34Å; E75-V77 PolarHBondContact O-N 3.47Å
78T83.3Confident90.1Very high100 Ų10050.6 Ų50.661%0.61325%0.245SC*.  trans-70.6-48.5-176.755.80000112.2N4 T76N4-T78 PolarHBondContact ND2-O 2.87Å; T76-T78 PolarHBondContact O-N 3.48Å; T76-T78 WeakPolarHBondContact OG1-CG2 3.41Å; T76-T78 PolarHBondContact OG1-N 3.06Å; T76-T78 PolarHBondContact OG1-OG1 3.48Å
79K87.5Confident89.9Confident78 Ų7849 Ų4934%0.33924%0.238SC..SBendtrans-106.495-177.9-168.3165.8-170.4175.10111.3Y72 K73Y72-K79 CarbonylContact C-O 3.46Å; Y72-K79 WeakPolarHBondContact CA-O 3.46Å; K73-K79 HydrophobicContact CB-CB 4.15Å; K73-K79 PolarHBondContact N-O 2.98Å
80F91Very high89.5Confident68 Ų6851.5 Ų51.530%0.29825%0.25SS..EExtended strand (participates in β ladder)trans-52.9146.6165.4-179.6-108.2000110.6D70 Y72 G82 R83D70-F80 HydrophobicContact CB-CE2 4.03Å; Y72-F80 VanDerWaalsContact CD1-CA 3.49Å; Y72-F80 HydrophobicContact CD1-CB 4.16Å; Y72-F80 HydrophobicContact CE1-CB 3.93Å; Y72-F80 AromaticContact CE1-CD2 3.98Å; Y72-F80 HydrophobicContact CE1-CD2 3.98Å; Y72-F80 HydrophobicContact CE1-CG 4.47Å; F80-G82 VanDerWaalsContact CE2-O 3.25Å; F80-G82 WeakPolarHBondContact CE2-O 3.4Å; F80-G82 VanDerWaalsContact CZ-CA 3.5Å; F80-R83 HydrophobicContact CZ-CB 4.35Å
81K92.5Very high89.2Confident54 Ų5452 Ų5224%0.23525%0.254CS..EExtended strand (participates in β ladder)trans-139.11.4179.1-85.5-54.4-164.31790114.9Y71 E240Y71-K81 HydrophobicContact CD2-CB 3.8Å; Y71-K81 HydrophobicContact CE2-CB 3.73Å; Y71-K81 WeakPolarHBondContact CE2-O 3.22Å; Y71-K81 WeakPolarHBondContact O-CA 3.3Å; Y71-K81 PolarHBondContact O-N 2.92Å; Y71-K81 PolarHBondContact OH-O 2.83Å; K81-E240 IonicContact NZ-OE1 3.44Å; K81-E240 IonicContact NZ-OE2 2.8Å; K81-E240 PolarHBondContact NZ-OE2 3.33Å
82G91.3Very high89Confident14 Ų1450.4 Ų50.414%0.14425%0.247CC..EExtended strand (participates in β ladder)trans145.2172.6169.800000113.4Y71 F80Y71-G82 VanDerWaalsContact CD1-O 3.25Å; Y71-G82 WeakPolarHBondContact CD1-O 3.49Å; Y71-G82 VanDerWaalsContact CE1-C 3.45Å; Y71-G82 PolarHBondContact N-O 2.72Å; Y71-G82 PolarHBondContact O-N 2.66Å; F80-G82 VanDerWaalsContact CE2-O 3.25Å; F80-G82 WeakPolarHBondContact CE2-O 3.4Å; F80-G82 VanDerWaalsContact CZ-CA 3.5Å
83R91.6Very high88.6Confident100 Ų10051 Ų5138%0.37725%0.251SS..EExtended strand (participates in β ladder)trans-117.5157176.1179.7162.7-69175.8-2.9109.3Y57 D70 F80Y57-R83 PolarHBondContact OH-NH2 3.23Å; D70-R83 VanDerWaalsContact OD1-CB 3.28Å; D70-R83 WeakPolarHBondContact OD1-CB 3.49Å; D70-R83 VanDerWaalsContact OD1-CG 3.24Å; D70-R83 WeakPolarHBondContact OD1-CG 3.45Å; D70-R83 IonicContact OD1-CZ 2.66Å; D70-R83 IonicContact OD1-NE 3.58Å; D70-R83 PolarHBondContact OD1-NE 3.31Å; D70-R83 IonicContact OD1-NH2 2.72Å; D70-R83 PolarHBondContact OD1-NH2 3.04Å; D70-R83 IonicContact OD2-CZ 3.79Å; D70-R83 IonicContact OD2-NE 2.71Å; D70-R83 IonicContact OD2-NH2 3.83Å; D70-R83 PolarHBondContact OD2-NH2 3.47Å; F80-R83 HydrophobicContact CZ-CB 4.35Å
84V90.5Very high88.2Confident3 Ų348.3 Ų48.32%0.01824%0.24CC..EExtended strand (participates in β ladder)trans-107.4134.2168.3-1790000108.7F69 Y71 L86 I106 Y117 F119F69-V84 HydrophobicContact CB-CB 4.24Å; F69-V84 HydrophobicContact CD1-CB 3.55Å; F69-V84 HydrophobicContact CD1-CG1 3.9Å; F69-V84 HydrophobicContact CD1-CG2 3.72Å; F69-V84 HydrophobicContact CE1-CB 4.25Å; F69-V84 HydrophobicContact CE1-CG1 4.4Å; F69-V84 HydrophobicContact CE1-CG2 4Å; F69-V84 HydrophobicContact CG-CB 4.19Å; F69-V84 HydrophobicContact CG-CG2 4.37Å; F69-V84 PolarHBondContact O-N 2.78Å; Y71-V84 HydrophobicContact CD1-CG2 4.48Å; V84-L86 VanDerWaalsContact C-N 3.26Å; V84-L86 HydrophobicContact CG1-CD2 4.19Å; V84-L86 PolarHBondContact O-N 3.29Å; V84-I106 HydrophobicContact CG1-CD1 4.3Å; V84-Y117 HydrophobicContact CG1-CD2 3.94Å; V84-Y117 HydrophobicContact CG1-CE2 4.18Å; V84-Y117 HydrophobicContact CG1-CG 4.22Å; V84-Y117 HydrophobicContact CG2-CD1 4.49Å; V84-F119 HydrophobicContact CG2-CZ 4.06Å
85D86Confident87.4Confident41 Ų4147.1 Ų47.122%0.21923%0.234CC..  trans-79.459.3-165.8-51.6-53.5000112.8E87 H88 C89 T108 R115 Y117D85-E87 VanDerWaalsContact C-N 3.32Å; D85-E87 PolarHBondContact O-N 3.15Å; D85-H88 CarbonylContact O-C 3.57Å; D85-H88 WeakPolarHBondContact O-CA 3.34Å; D85-H88 PolarHBondContact O-N 3.24Å; D85-C89 PolarHBondContact O-N 3.44Å; D85-T108 HydrophobicContact CB-CG2 4.25Å; D85-R115 IonicContact OD1-NH1 3.57Å; D85-R115 IonicContact OD2-CZ 3.26Å; D85-R115 IonicContact OD2-NH1 2.74Å; D85-R115 PolarHBondContact OD2-NH1 3.28Å; D85-Y117 PolarHBondContact OD2-OH 3.03Å
86L89Confident85.9Confident10 Ų1047 Ų475%0.05224%0.24CC..G310 helixtrans-60.7-30.7-170.4-69.7-168.8000115.3L56 F69 V84 H88 C89 L134 V137L56-L86 HydrophobicContact CD1-CD1 3.68Å; F69-L86 HydrophobicContact CB-CD1 3.64Å; F69-L86 HydrophobicContact CB-CG 3.92Å; F69-L86 HydrophobicContact CD1-CD1 4.41Å; F69-L86 HydrophobicContact CD1-CD2 4.18Å; F69-L86 HydrophobicContact CD1-CG 4.4Å; F69-L86 HydrophobicContact CG-CD1 4.35Å; V84-L86 VanDerWaalsContact C-N 3.26Å; V84-L86 HydrophobicContact CG1-CD2 4.19Å; V84-L86 PolarHBondContact O-N 3.29Å; L86-H88 PolarHBondContact O-N 2.82Å; L86-H88 VanDerWaalsContact O-N 3.12Å; L86-C89 VanDerWaalsContact O-CB 3.22Å; L86-C89 WeakPolarHBondContact O-CB 3.47Å; L86-C89 PolarHBondContact O-N 3.46Å; L86-L134 HydrophobicContact CD1-CD2 4.02Å; L86-L134 HydrophobicContact CD2-CD2 4.27Å; L86-V137 HydrophobicContact CD1-CG1 3.83Å
87E84.2Confident84.3Confident119 Ų11949.2 Ų49.256%0.55625%0.249SC*.G310 helixtrans-55.1-30.9172.7-67.7-173.6139.400111.5K64 D85 R177K64-E87 IonicContact NZ-OE1 3.54Å; K64-E87 PolarHBondContact NZ-OE1 3.06Å; D85-E87 VanDerWaalsContact C-N 3.32Å; D85-E87 PolarHBondContact O-N 3.15Å; E87-R177 PolarHBondContact O-NH1 3.25Å; E87-R177 PolarHBondContact O-NH2 3.16Å
88H83.9Confident83.1Confident65 Ų6549.6 Ų49.630%0.30125%0.25SS..G310 helixtrans-10314.2-178.7-65.884.2000113.4D85 L86 E90 T108 L109 F110D85-H88 CarbonylContact O-C 3.57Å; D85-H88 WeakPolarHBondContact O-CA 3.34Å; D85-H88 PolarHBondContact O-N 3.24Å; L86-H88 PolarHBondContact O-N 2.82Å; L86-H88 VanDerWaalsContact O-N 3.12Å; H88-E90 PolarHBondContact O-N 3.46Å; H88-T108 CarbonylContact O-C 3.59Å; H88-T108 WeakPolarHBondContact O-CA 3.17Å; H88-L109 PolarHBondContact CD2-O 2.69Å; H88-L109 PolarHBondContact O-N 3.49Å; H88-F110 AromaticContact CD2-CD2 3.76Å; H88-F110 AromaticContact CE1-CD2 3.67Å; H88-F110 AromaticContact CE1-CE2 3.96Å; H88-F110 AromaticContact CG-CD2 3.88Å; H88-F110 AromaticContact ND1-CD2 3.81Å; H88-F110 AromaticContact NE2-CD2 3.62Å
89C88.3Confident81.9Confident1 Ų147.8 Ų47.81%0.00725%0.252CS..EExtended strand (participates in β ladder)trans-63.5127.3177.6-168.20000112D85 L86 I106 A138 R177D85-C89 PolarHBondContact O-N 3.44Å; L86-C89 VanDerWaalsContact O-CB 3.22Å; L86-C89 WeakPolarHBondContact O-CB 3.47Å; L86-C89 PolarHBondContact O-N 3.46Å; C89-I106 VanDerWaalsContact SG-CG2 3.59Å; C89-A138 HydrophobicContact CB-CB 3.99Å; C89-R177 PolarHBondContact O-NE 2.93Å; C89-R177 PolarHBondContact O-NH1 2.9Å
90E86.5Confident80.9Confident55 Ų5545.9 Ų45.926%0.25724%0.244SC..EExtended strand (participates in β ladder)trans-96.9-51.5178.7176.1-168.5-150.500110.4H88 S107 K114 R177H88-E90 PolarHBondContact O-N 3.46Å; E90-S107 PolarHBondContact N-O 3.43Å; E90-S107 WeakPolarHBondContact OE2-CB 3.24Å; E90-S107 PolarHBondContact OE2-OG 2.8Å; E90-K114 IonicContact OE1-NZ 3.51Å; E90-K114 PolarHBondContact OE1-NZ 2.74Å; E90-K114 WeakPolarHBondContact OE2-CE 3.34Å; E90-K114 IonicContact OE2-NZ 2.83Å; E90-K114 PolarHBondContact OE2-NZ 3.34Å; E90-R177 PolarHBondContact O-N 3.03Å
91C87.3Confident80.2Confident13 Ų1347.3 Ų47.39%0.08826%0.26CS..EExtended strand (participates in β ladder)trans-157161.4-179.663.50000112.6S107 P173 F175 Q176C91-S107 PolarHBondContact O-N 3.26Å; C91-S107 VanDerWaalsContact SG-CB 3.55Å; C91-P173 HydrophobicContact CB-CB 3.79Å; C91-F175 CarbonylContact C-O 3.6Å; C91-F175 WeakPolarHBondContact CA-O 3.31Å; C91-F175 WeakPolarHBondContact CB-O 3.45Å; C91-Q176 HydrophobicContact CB-CB 4.38Å; C91-Q176 HydrophobicContact CB-CG 4.36Å
92I90.3Very high79.9Confident0 Ų045.9 Ų45.90%026%0.257CS..EExtended strand (participates in β ladder)trans-117.7132.6168.2-57.4175.1000107.9F104 S105 I106 V131 L134 A135 L140 L174 F175I92-F104 HydrophobicContact CG2-CD2 4.32Å; I92-S105 WeakPolarHBondContact CA-O 3.49Å; I92-I106 HydrophobicContact CG1-CG1 4.29Å; I92-V131 HydrophobicContact CG2-CG1 4.08Å; I92-V131 HydrophobicContact CG2-CG2 4.16Å; I92-L134 HydrophobicContact CD1-CB 3.64Å; I92-A135 HydrophobicContact CD1-CB 4.49Å; I92-L140 HydrophobicContact CB-CD1 4.47Å; I92-L140 HydrophobicContact CD1-CD1 3.7Å; I92-L140 HydrophobicContact CG1-CD1 3.61Å; I92-L174 PolarHBondContact O-N 2.88Å; I92-F175 PolarHBondContact N-O 3.25Å; I92-F175 PolarHBondContact O-N 3.27Å
93V86.1Confident79.8Confident14 Ų1445.4 Ų45.49%0.08525%0.251CS..EExtended strand (participates in β ladder)trans-124.2135-175.5-165.30000108.1N95 F104 S105 E171 P173V93-N95 VanDerWaalsContact C-ND2 3.34Å; V93-N95 PolarHBondContact O-ND2 2.87Å; V93-F104 CarbonylContact O-C 3.59Å; V93-F104 VanDerWaalsContact O-CA 3.31Å; V93-F104 WeakPolarHBondContact O-CA 3.44Å; V93-F104 WeakPolarHBondContact O-CB 3.35Å; V93-S105 PolarHBondContact N-O 3.39Å; V93-S105 PolarHBondContact O-N 3.36Å; V93-E171 HydrophobicContact CG1-CB 4.25Å; V93-E171 HydrophobicContact CG1-CG 4.45Å; V93-P173 HydrophobicContact CG2-CB 4.33Å
94E84.3Confident79.8Confident60 Ų6040.6 Ų40.628%0.2823%0.233SC..EExtended strand (participates in β ladder)trans-80.3130.1162.1176.2167-176.400107.7V96 M127 L174E94-V96 HydrophobicContact CG-CG2 4.3Å; E94-M127 HydrophobicContact CG-CE 4.05Å; E94-M127 HydrophobicContact CG-SD 4.41Å; E94-M127 VanDerWaalsContact OE1-CE 3.24Å; E94-M127 WeakPolarHBondContact OE1-CE 3.36Å; E94-L174 HydrophobicContact CB-CD1 3.73Å; E94-L174 HydrophobicContact CB-CG 4.12Å
95N73.2Confident79.7Confident1 Ų140.8 Ų40.81%0.00523%0.234CC..  trans-116.273.3-169.4-68.1-128.9000109.3V93 N97 I98 A103 S105 E171V93-N95 VanDerWaalsContact C-ND2 3.34Å; V93-N95 PolarHBondContact O-ND2 2.87Å; N95-N97 PolarHBondContact O-N 2.85Å; N95-N97 VanDerWaalsContact O-N 3.13Å; N95-I98 HydrophobicContact CB-CD1 3.45Å; N95-I98 VanDerWaalsContact CB-CD1 3.45Å; N95-I98 HydrophobicContact CB-CG1 3.8Å; N95-I98 PolarHBondContact O-N 3.04Å; N95-A103 PolarHBondContact N-O 2.58Å; N95-S105 WeakPolarHBondContact ND2-CB 3.21Å; N95-S105 PolarHBondContact ND2-N 3.31Å; N95-S105 VanDerWaalsContact ND2-N 3.16Å; N95-S105 PolarHBondContact ND2-OG 3.1Å; N95-S105 PolarHBondContact OD1-OG 3.12Å; N95-E171 WeakPolarHBondContact CA-OE2 3.24Å
96V60.6Low80Confident100 Ų10038.8 Ų38.861%0.60622%0.224SC*.G310 helixtrans-57-31.3176.4-174.70000110.1E94 I98 G99 E171E94-V96 HydrophobicContact CG-CG2 4.3Å; V96-I98 PolarHBondContact O-N 3.12Å; V96-I98 VanDerWaalsContact O-N 3.16Å; V96-G99 PolarHBondContact O-N 2.77Å; V96-E171 WeakPolarHBondContact CB-OE1 3.4Å; V96-E171 WeakPolarHBondContact CG2-OE1 3.35Å; V96-E171 PolarHBondContact N-OE1 3.4Å; V96-E171 PolarHBondContact N-OE2 3.37Å
97N55.1Low80Confident129 Ų12938.5 Ų38.569%0.6922%0.223SC*.G310 helixtrans-68-4.8-179.5-68.7-75000116.3N95 G99 E171N95-N97 PolarHBondContact O-N 2.85Å; N95-N97 VanDerWaalsContact O-N 3.13Å; N97-G99 PolarHBondContact O-N 3.29Å; N97-E171 PolarHBondContact ND2-OE1 2.89Å; N97-E171 PolarHBondContact ND2-OE2 3.1Å
98I61.6Low80.2Confident16 Ų1632.9 Ų32.98%0.08220%0.196CC..G310 helixtrans-77.2-9.4175.8-72173.4000112.4F44 W49 N95 V96 Q100 A103 Y118F44-I98 HydrophobicContact CD2-CG2 4.27Å; F44-I98 HydrophobicContact CE2-CG1 4.26Å; F44-I98 HydrophobicContact CE2-CG2 4.48Å; F44-I98 HydrophobicContact CG-CG2 4.41Å; F44-I98 HydrophobicContact CZ-CG1 4.39Å; W49-I98 HydrophobicContact CH2-CG2 4.13Å; W49-I98 HydrophobicContact CZ2-CG2 3.7Å; N95-I98 HydrophobicContact CB-CD1 3.45Å; N95-I98 VanDerWaalsContact CB-CD1 3.45Å; N95-I98 HydrophobicContact CB-CG1 3.8Å; N95-I98 PolarHBondContact O-N 3.04Å; V96-I98 PolarHBondContact O-N 3.12Å; V96-I98 VanDerWaalsContact O-N 3.16Å; I98-Q100 HydrophobicContact CG2-CB 4.22Å; I98-Q100 HydrophobicContact CG2-CG 4.28Å; I98-Q100 PolarHBondContact O-N 2.89Å; I98-A103 HydrophobicContact CB-CB 4.31Å; I98-A103 HydrophobicContact CD1-CB 4.45Å; I98-A103 HydrophobicContact CG2-CB 4.47Å; I98-Y118 HydrophobicContact CD1-CD1 3.54Å; I98-Y118 HydrophobicContact CD1-CE1 4.14Å; I98-Y118 HydrophobicContact CD1-CG 4.36Å
99G58.6Low80.2Confident63 Ų6333.4 Ų33.465%0.64920%0.201SC*.SBendtrans72.318.6-177.600000113.1V96 N97V96-G99 PolarHBondContact O-N 2.77Å; N97-G99 PolarHBondContact O-N 3.29Å
100Q66Low79.6Confident37 Ų3737.1 Ų37.117%0.17322%0.217CC..SBendtrans-130.5126.6177.3-68.6-68.7-37.800107.9I98 A103 I120I98-Q100 HydrophobicContact CG2-CB 4.22Å; I98-Q100 HydrophobicContact CG2-CG 4.28Å; I98-Q100 PolarHBondContact O-N 2.89Å; Q100-A103 HydrophobicContact CB-CB 4.45Å; Q100-A103 WeakPolarHBondContact O-CB 3.46Å; Q100-I120 HydrophobicContact CB-CD1 3.61Å; Q100-I120 HydrophobicContact CB-CG1 4.06Å; Q100-I120 HydrophobicContact CG-CD1 3.67Å
101P76.8Confident79Confident99 Ų9939.5 Ų39.564%0.64323%0.232SC*.THydrogen-bonded Turntrans-67.5150.5178.629.8-35000110.3A103 I120P101-A103 VanDerWaalsContact C-N 3.31Å; P101-A103 PolarHBondContact O-N 3.02Å; P101-I120 WeakPolarHBondContact O-CG2 3.13Å
102C87Confident78.4Confident24 Ų2441.9 Ų41.916%0.16226%0.259CS..THydrogen-bonded Turntrans62.136.3178-38.80000113.3A121 N124 M127C102-A121 HydrophobicContact CB-CB 4.33Å; C102-A121 PolarHBondContact O-N 2.89Å; C102-N124 PolarHBondContact SG-N 3.49Å; C102-M127 VanDerWaalsContact CA-SD 3.56Å; C102-M127 HydrophobicContact CB-CB 4.33Å; C102-M127 HydrophobicContact CB-SD 4.29Å
103A88.7Confident77.8Confident3 Ų346.8 Ų46.83%0.02529%0.285CS..EExtended strand (participates in β ladder)trans-97.8134.9178.400000112N95 I98 Q100 P101 F119 I120N95-A103 PolarHBondContact N-O 2.58Å; I98-A103 HydrophobicContact CB-CB 4.31Å; I98-A103 HydrophobicContact CD1-CB 4.45Å; I98-A103 HydrophobicContact CG2-CB 4.47Å; Q100-A103 HydrophobicContact CB-CB 4.45Å; Q100-A103 WeakPolarHBondContact O-CB 3.46Å; P101-A103 VanDerWaalsContact C-N 3.31Å; P101-A103 PolarHBondContact O-N 3.02Å; A103-F119 CarbonylContact C-O 3.56Å; A103-F119 WeakPolarHBondContact CA-O 3.41Å; A103-I120 HydrophobicContact CB-CG1 3.95Å
104F91.1Very high77.6Confident0 Ų051.3 Ų51.30%030%0.304CS..EExtended strand (participates in β ladder)trans-138.4158.7176.670.4-81.4000111.4L19 I92 V93 I106 F119 M127 W130 V131 L134L19-F104 HydrophobicContact CD1-CE1 4.29Å; L19-F104 HydrophobicContact CD1-CZ 3.95Å; L19-F104 HydrophobicContact CD2-CE1 4.39Å; I92-F104 HydrophobicContact CG2-CD2 4.32Å; V93-F104 CarbonylContact O-C 3.59Å; V93-F104 VanDerWaalsContact O-CA 3.31Å; V93-F104 WeakPolarHBondContact O-CA 3.44Å; V93-F104 WeakPolarHBondContact O-CB 3.35Å; F104-I106 HydrophobicContact CD2-CG1 4.5Å; F104-I106 HydrophobicContact CE2-CD1 4.43Å; F104-I106 HydrophobicContact CE2-CG1 4.4Å; F104-F119 HydrophobicContact CD1-CB 3.98Å; F104-F119 HydrophobicContact CD2-CB 4.43Å; F104-F119 HydrophobicContact CD2-CD2 4.04Å; F104-F119 HydrophobicContact CE1-CB 3.61Å; F104-F119 HydrophobicContact CE1-CG 4.4Å; F104-F119 HydrophobicContact CE2-CB 4.09Å; F104-F119 AromaticContact CE2-CD2 3.66Å; F104-F119 HydrophobicContact CE2-CD2 3.66Å; F104-F119 HydrophobicContact CE2-CE2 4.4Å; F104-F119 HydrophobicContact CE2-CG 4.08Å; F104-F119 HydrophobicContact CG-CB 4.39Å; F104-F119 HydrophobicContact CZ-CB 3.67Å; F104-F119 HydrophobicContact CZ-CD2 4.04Å; F104-F119 AromaticContact CZ-CG 3.96Å; F104-F119 HydrophobicContact CZ-CG 3.96Å; F104-F119 PolarHBondContact N-O 2.88Å; F104-F119 PolarHBondContact O-N 3.01Å; F104-F119 VanDerWaalsContact O-O 3.13Å; F104-M127 HydrophobicContact CB-CG 4.38Å; F104-M127 HydrophobicContact CB-SD 4.26Å; F104-M127 HydrophobicContact CD1-CG 3.74Å; F104-M127 HydrophobicContact CD1-SD 4.34Å; F104-M127 HydrophobicContact CE1-CG 4.39Å; F104-M127 HydrophobicContact CG-CG 4.35Å; F104-W130 HydrophobicContact CZ-CB 4.16Å; F104-V131 HydrophobicContact CB-CG2 4.19Å; F104-V131 HydrophobicContact CD1-CG2 4.41Å; F104-V131 HydrophobicContact CD2-CG2 3.91Å; F104-V131 HydrophobicContact CE2-CG2 4.35Å; F104-V131 HydrophobicContact CG-CG2 3.93Å; F104-L134 HydrophobicContact CE2-CD1 3.92Å; F104-L134 HydrophobicContact CZ-CD1 4.4Å
105S90.1Very high77.6Confident6 Ų651.7 Ų51.74%0.04230%0.302CS..EExtended strand (participates in β ladder)trans-131.7149.2176.874.50000112.1I92 V93 N95 Y117I92-S105 WeakPolarHBondContact CA-O 3.49Å; V93-S105 PolarHBondContact N-O 3.39Å; V93-S105 PolarHBondContact O-N 3.36Å; N95-S105 WeakPolarHBondContact ND2-CB 3.21Å; N95-S105 PolarHBondContact ND2-N 3.31Å; N95-S105 VanDerWaalsContact ND2-N 3.16Å; N95-S105 PolarHBondContact ND2-OG 3.1Å; N95-S105 PolarHBondContact OD1-OG 3.12Å; S105-Y117 CarbonylContact C-O 3.6Å; S105-Y117 WeakPolarHBondContact CA-O 3.33Å
106I92.1Very high78.2Confident0 Ų054 Ų540%031%0.314CS..EExtended strand (participates in β ladder)trans-114.2120.2175.3-55.9176.3000107.3F69 V84 C89 I92 F104 T108 Y117 F119 L134F69-I106 HydrophobicContact CD1-CD1 4.28Å; F69-I106 HydrophobicContact CE1-CD1 3.73Å; V84-I106 HydrophobicContact CG1-CD1 4.3Å; C89-I106 VanDerWaalsContact SG-CG2 3.59Å; I92-I106 HydrophobicContact CG1-CG1 4.29Å; F104-I106 HydrophobicContact CD2-CG1 4.5Å; F104-I106 HydrophobicContact CE2-CD1 4.43Å; F104-I106 HydrophobicContact CE2-CG1 4.4Å; I106-T108 HydrophobicContact CG2-CG2 4.08Å; I106-Y117 PolarHBondContact N-O 3.36Å; I106-Y117 PolarHBondContact O-N 3.02Å; I106-F119 HydrophobicContact CB-CE2 4.24Å; I106-F119 HydrophobicContact CD1-CD2 4.35Å; I106-F119 HydrophobicContact CD1-CE2 3.57Å; I106-F119 HydrophobicContact CD1-CZ 4.15Å; I106-F119 HydrophobicContact CG1-CD2 4.3Å; I106-F119 HydrophobicContact CG1-CE2 3.72Å; I106-L134 HydrophobicContact CD1-CD1 3.95Å
107S88.9Confident79.6Confident4 Ų449.5 Ų49.53%0.02829%0.286CS..EExtended strand (participates in β ladder)trans-88.6129.3169.9-172.60000109.8E90 C91 K114E90-S107 PolarHBondContact N-O 3.43Å; E90-S107 WeakPolarHBondContact OE2-CB 3.24Å; E90-S107 PolarHBondContact OE2-OG 2.8Å; C91-S107 PolarHBondContact O-N 3.26Å; C91-S107 VanDerWaalsContact SG-CB 3.55Å; S107-K114 WeakPolarHBondContact OG-CE 3.09Å
108T88.2Confident81.2Confident0 Ų044.4 Ų44.40%026%0.257CS..EExtended strand (participates in β ladder)trans-126.9135.3172.5650000110.4D85 H88 I106 K114 R115 Y117D85-T108 HydrophobicContact CB-CG2 4.25Å; H88-T108 CarbonylContact O-C 3.59Å; H88-T108 WeakPolarHBondContact O-CA 3.17Å; I106-T108 HydrophobicContact CG2-CG2 4.08Å; T108-K114 WeakPolarHBondContact O-CA 3.46Å; T108-R115 PolarHBondContact N-O 3.45Å; T108-R115 PolarHBondContact O-N 2.94Å; T108-R115 PolarHBondContact OG1-O 2.71Å; T108-Y117 HydrophobicContact CG2-CD2 4.2Å; T108-Y117 HydrophobicContact CG2-CE2 4.07Å
109L84.2Confident82.7Confident77 Ų7743.6 Ų43.640%0.40325%0.254SS..EExtended strand (participates in β ladder)trans-114.6100.2-177.7-174.768.4000110.4H88 G112 K114H88-L109 PolarHBondContact CD2-O 2.69Å; H88-L109 PolarHBondContact O-N 3.49Å; L109-G112 WeakPolarHBondContact CD1-O 3.44Å; L109-K114 HydrophobicContact CD1-CB 4.22Å
110F75.1Confident84.3Confident79 Ų7941.2 Ų41.235%0.34623%0.226SC..EExtended strand (participates in β ladder)trans-113.3120.3-179.2-179-95.9000110.4H88 G112 N113H88-F110 AromaticContact CD2-CD2 3.76Å; H88-F110 AromaticContact CE1-CD2 3.67Å; H88-F110 AromaticContact CE1-CE2 3.96Å; H88-F110 AromaticContact CG-CD2 3.88Å; H88-F110 AromaticContact ND1-CD2 3.81Å; H88-F110 AromaticContact NE2-CD2 3.62Å; F110-G112 VanDerWaalsContact C-N 3.26Å; F110-G112 PolarHBondContact O-N 3.45Å; F110-N113 PolarHBondContact N-O 3.28Å; F110-N113 VanDerWaalsContact N-O 3.1Å; F110-N113 WeakPolarHBondContact O-CA 3.45Å; F110-N113 VanDerWaalsContact O-CB 3.31Å; F110-N113 WeakPolarHBondContact O-CB 3.38Å; F110-N113 PolarHBondContact O-N 2.92Å
111N74Confident85.6Confident104 Ų10439.7 Ų39.756%0.55622%0.219SC*.THydrogen-bonded Turntrans45.848.3-175-66.67.3000112.9N113N111-N113 PolarHBondContact O-N 3.03Å; N111-N113 PolarHBondContact O-ND2 3.37Å
112G74.4Confident86.2Confident64 Ų6436.8 Ų36.866%0.6620%0.204SC*.THydrogen-bonded Turntrans71.4-10.8-176.300000115.7L109 F110 K114L109-G112 WeakPolarHBondContact CD1-O 3.44Å; F110-G112 VanDerWaalsContact C-N 3.26Å; F110-G112 PolarHBondContact O-N 3.45Å; G112-K114 PolarHBondContact O-N 3.12Å
113N77.1Confident86.3Confident103 Ų10338.7 Ų38.755%0.55121%0.212SC*.EExtended strand (participates in β ladder)trans-84.4107.7177.9-68.6-89.6000110.2F110 N111 R115F110-N113 PolarHBondContact N-O 3.28Å; F110-N113 VanDerWaalsContact N-O 3.1Å; F110-N113 WeakPolarHBondContact O-CA 3.45Å; F110-N113 VanDerWaalsContact O-CB 3.31Å; F110-N113 WeakPolarHBondContact O-CB 3.38Å; F110-N113 PolarHBondContact O-N 2.92Å; N111-N113 PolarHBondContact O-N 3.03Å; N111-N113 PolarHBondContact O-ND2 3.37Å; N113-R115 PolarHBondContact O-N 2.99Å
114K82.8Confident86.4Confident109 Ų10942.5 Ų42.547%0.47423%0.232SC..EExtended strand (participates in β ladder)trans-72.2123.1172.7-167165.5180129.10109.9E90 S107 T108 L109 G112E90-K114 IonicContact OE1-NZ 3.51Å; E90-K114 PolarHBondContact OE1-NZ 2.74Å; E90-K114 WeakPolarHBondContact OE2-CE 3.34Å; E90-K114 IonicContact OE2-NZ 2.83Å; E90-K114 PolarHBondContact OE2-NZ 3.34Å; S107-K114 WeakPolarHBondContact OG-CE 3.09Å; T108-K114 WeakPolarHBondContact O-CA 3.46Å; L109-K114 HydrophobicContact CD1-CB 4.22Å; G112-K114 PolarHBondContact O-N 3.12Å
115R84Confident86.4Confident68 Ų6848 Ų4826%0.25726%0.256SS..EExtended strand (participates in β ladder)trans-114.9133.7170.9-56.9171.9173.8177.7-0.6108.1D85 T108 N113 Y117D85-R115 IonicContact OD1-NH1 3.57Å; D85-R115 IonicContact OD2-CZ 3.26Å; D85-R115 IonicContact OD2-NH1 2.74Å; D85-R115 PolarHBondContact OD2-NH1 3.28Å; T108-R115 PolarHBondContact N-O 3.45Å; T108-R115 PolarHBondContact O-N 2.94Å; T108-R115 PolarHBondContact OG1-O 2.71Å; N113-R115 PolarHBondContact O-N 2.99Å; R115-Y117 HydrophobicContact CB-CE2 4.15Å
116I85.1Confident86.5Confident48 Ų4848.5 Ų48.525%0.24626%0.258CS..EExtended strand (participates in β ladder)trans-111.6130.8175-53.8176.9000108.6Y118I116-Y118 HydrophobicContact CB-CE2 4.13Å; I116-Y118 HydrophobicContact CG2-CD1 4.09Å; I116-Y118 HydrophobicContact CG2-CD2 4.31Å; I116-Y118 HydrophobicContact CG2-CE1 3.59Å; I116-Y118 HydrophobicContact CG2-CE2 3.82Å; I116-Y118 HydrophobicContact CG2-CG 4.44Å; I116-Y118 VanDerWaalsContact CG2-CZ 3.44Å
117Y89.8Confident86.6Confident7 Ų748.7 Ų48.73%0.02726%0.259CS..EExtended strand (participates in β ladder)trans-111.3115.5175.8-65-86.7000109.1R24 V84 D85 S105 I106 T108 R115 F119R24-Y117 PolarHBondContact NH2-OH 2.81Å; V84-Y117 HydrophobicContact CG1-CD2 3.94Å; V84-Y117 HydrophobicContact CG1-CE2 4.18Å; V84-Y117 HydrophobicContact CG1-CG 4.22Å; V84-Y117 HydrophobicContact CG2-CD1 4.49Å; D85-Y117 PolarHBondContact OD2-OH 3.03Å; S105-Y117 CarbonylContact C-O 3.6Å; S105-Y117 WeakPolarHBondContact CA-O 3.33Å; I106-Y117 PolarHBondContact N-O 3.36Å; I106-Y117 PolarHBondContact O-N 3.02Å; T108-Y117 HydrophobicContact CG2-CD2 4.2Å; T108-Y117 HydrophobicContact CG2-CE2 4.07Å; R115-Y117 HydrophobicContact CB-CE2 4.15Å; Y117-F119 HydrophobicContact CG-CZ 4.49Å; Y117-F119 WeakPolarHBondContact O-CD2 3.32Å; Y117-F119 WeakPolarHBondContact O-CE2 3.25Å
118Y90.1Very high86.7Confident21 Ų2151 Ų518%0.08228%0.276CS..EExtended strand (participates in β ladder)trans-98.7135.2-179.7-54.5-83000112.4S22 E26 I98 I116S22-Y118 PolarHBondContact N-O 2.9Å; S22-Y118 VanDerWaalsContact N-O 3.13Å; E26-Y118 PolarHBondContact OE1-OH 2.97Å; I98-Y118 HydrophobicContact CD1-CD1 3.54Å; I98-Y118 HydrophobicContact CD1-CE1 4.14Å; I98-Y118 HydrophobicContact CD1-CG 4.36Å; I116-Y118 HydrophobicContact CB-CE2 4.13Å; I116-Y118 HydrophobicContact CG2-CD1 4.09Å; I116-Y118 HydrophobicContact CG2-CD2 4.31Å; I116-Y118 HydrophobicContact CG2-CE1 3.59Å; I116-Y118 HydrophobicContact CG2-CE2 3.82Å; I116-Y118 HydrophobicContact CG2-CG 4.44Å; I116-Y118 VanDerWaalsContact CG2-CZ 3.44Å
119F92.7Very high86.9Confident0 Ų053.2 Ų53.20%029%0.287CS..EExtended strand (participates in β ladder)trans-135.4149.7-176.8-51.3-84.4000111.3L19 M20 K21 F54 F69 V84 A103 F104 I106 Y117L19-F119 HydrophobicContact CD1-CB 4.46Å; L19-F119 HydrophobicContact CD1-CD1 4.31Å; M20-F119 CarbonylContact O-C 3.58Å; M20-F119 WeakPolarHBondContact O-CA 3.37Å; K21-F119 HydrophobicContact CD-CE1 4.49Å; K21-F119 HydrophobicContact CG-CD1 4.13Å; K21-F119 HydrophobicContact CG-CE1 3.98Å; F54-F119 HydrophobicContact CE1-CD1 4.15Å; F54-F119 AromaticContact CE1-CE1 3.55Å; F54-F119 HydrophobicContact CE1-CE1 3.55Å; F54-F119 HydrophobicContact CE2-CD1 4.46Å; F54-F119 AromaticContact CZ-CD1 3.79Å; F54-F119 HydrophobicContact CZ-CD1 3.79Å; F54-F119 AromaticContact CZ-CE1 3.54Å; F54-F119 HydrophobicContact CZ-CE1 3.54Å; F69-F119 HydrophobicContact CE1-CZ 4.16Å; V84-F119 HydrophobicContact CG2-CZ 4.06Å; A103-F119 CarbonylContact C-O 3.56Å; A103-F119 WeakPolarHBondContact CA-O 3.41Å; F104-F119 HydrophobicContact CD1-CB 3.98Å; F104-F119 HydrophobicContact CD2-CB 4.43Å; F104-F119 HydrophobicContact CD2-CD2 4.04Å; F104-F119 HydrophobicContact CE1-CB 3.61Å; F104-F119 HydrophobicContact CE1-CG 4.4Å; F104-F119 HydrophobicContact CE2-CB 4.09Å; F104-F119 AromaticContact CE2-CD2 3.66Å; F104-F119 HydrophobicContact CE2-CD2 3.66Å; F104-F119 HydrophobicContact CE2-CE2 4.4Å; F104-F119 HydrophobicContact CE2-CG 4.08Å; F104-F119 HydrophobicContact CG-CB 4.39Å; F104-F119 HydrophobicContact CZ-CB 3.67Å; F104-F119 HydrophobicContact CZ-CD2 4.04Å; F104-F119 AromaticContact CZ-CG 3.96Å; F104-F119 HydrophobicContact CZ-CG 3.96Å; F104-F119 PolarHBondContact N-O 2.88Å; F104-F119 PolarHBondContact O-N 3.01Å; F104-F119 VanDerWaalsContact O-O 3.13Å; I106-F119 HydrophobicContact CB-CE2 4.24Å; I106-F119 HydrophobicContact CD1-CD2 4.35Å; I106-F119 HydrophobicContact CD1-CE2 3.57Å; I106-F119 HydrophobicContact CD1-CZ 4.15Å; I106-F119 HydrophobicContact CG1-CD2 4.3Å; I106-F119 HydrophobicContact CG1-CE2 3.72Å; Y117-F119 HydrophobicContact CG-CZ 4.49Å; Y117-F119 WeakPolarHBondContact O-CD2 3.32Å; Y117-F119 WeakPolarHBondContact O-CE2 3.25Å
120I91.7Very high87.5Confident12 Ų1249.7 Ų49.76%0.06227%0.269CS..EExtended strand (participates in β ladder)trans-128.1132.1167.6-54.2156.5000108.6M20 W49 Q100 P101 A103M20-I120 HydrophobicContact CB-CB 4.18Å; M20-I120 PolarHBondContact N-O 2.98Å; M20-I120 PolarHBondContact O-N 2.92Å; W49-I120 HydrophobicContact CD2-CD1 3.66Å; W49-I120 HydrophobicContact CE3-CD1 3.58Å; W49-I120 HydrophobicContact CE3-CG1 4.06Å; W49-I120 HydrophobicContact CG-CD1 4.42Å; W49-I120 HydrophobicContact CH2-CD1 3.69Å; W49-I120 HydrophobicContact CH2-CG1 3.8Å; W49-I120 HydrophobicContact CZ2-CD1 3.79Å; W49-I120 HydrophobicContact CZ2-CG1 4.37Å; W49-I120 HydrophobicContact CZ3-CD1 3.59Å; W49-I120 HydrophobicContact CZ3-CG1 3.63Å; Q100-I120 HydrophobicContact CB-CD1 3.61Å; Q100-I120 HydrophobicContact CB-CG1 4.06Å; Q100-I120 HydrophobicContact CG-CD1 3.67Å; P101-I120 WeakPolarHBondContact O-CG2 3.13Å; A103-I120 HydrophobicContact CB-CG1 3.95Å
121A93.1Very high88.3Confident5 Ų546.3 Ų46.34%0.04125%0.254CS..  trans-93.8159.2172.400000111.6L19 C102 N123 I126 M127L19-A121 HydrophobicContact CD2-CB 3.81Å; C102-A121 HydrophobicContact CB-CB 4.33Å; C102-A121 PolarHBondContact O-N 2.89Å; A121-N123 VanDerWaalsContact C-N 3.27Å; A121-N123 PolarHBondContact O-N 3.01Å; A121-I126 HydrophobicContact CB-CB 4.18Å; A121-I126 HydrophobicContact CB-CG2 3.93Å; A121-M127 HydrophobicContact CB-CB 3.81Å
122A89.3Confident89.2Confident38 Ų3846.6 Ų46.631%0.31425%0.252SS..SBendtrans-72.6-17-179.400000114.3I126 P577A122-I126 HydrophobicContact CB-CD1 4.12Å; A122-P577 HydrophobicContact CB-CB 3.51Å
123N90.1Very high90Very high65 Ų6545.9 Ų45.935%0.34823%0.231SC..SBendtrans-161.3169.3170.460.458.5000110.5A121 K125 I126 M127A121-N123 VanDerWaalsContact C-N 3.27Å; A121-N123 PolarHBondContact O-N 3.01Å; N123-K125 VanDerWaalsContact C-N 3.34Å; N123-K125 PolarHBondContact O-N 3.17Å; N123-K125 WeakPolarHBondContact OD1-CB 3.47Å; N123-K125 PolarHBondContact OD1-N 3.48Å; N123-I126 WeakPolarHBondContact ND2-CD1 3.25Å; N123-I126 PolarHBondContact O-N 3.4Å; N123-I126 WeakPolarHBondContact OD1-CG1 3.41Å; N123-I126 PolarHBondContact OD1-N 2.87Å; N123-M127 PolarHBondContact O-N 2.82Å; N123-M127 VanDerWaalsContact O-N 3.08Å
124N89.5Confident90.8Very high82 Ų8241 Ų4144%0.43921%0.205SC..Hα-helixtrans-64-36.8-175.9178.3-76.1000111.9C102 I126 M127 S128C102-N124 PolarHBondContact SG-N 3.49Å; N124-I126 PolarHBondContact O-N 3.1Å; N124-M127 WeakPolarHBondContact ND2-CE 3.36Å; N124-M127 WeakPolarHBondContact O-CB 3.43Å; N124-M127 PolarHBondContact O-N 2.84Å; N124-M127 VanDerWaalsContact O-N 3.15Å; N124-S128 WeakPolarHBondContact O-CB 3.2Å; N124-S128 PolarHBondContact O-N 2.94Å; N124-S128 PolarHBondContact O-OG 2.93Å; N124-S128 VanDerWaalsContact O-OG 3.1Å; N124-S128 PolarHBondContact OD1-OG 3.41Å
125K91.7Very high91.2Very high117 Ų11735.9 Ų35.951%0.50918%0.184SC..Hα-helixtrans-59.1-47.7176.6-165.3-149.9177.2-60.50111.3N123 M127 S128 D129 I575N123-K125 VanDerWaalsContact C-N 3.34Å; N123-K125 PolarHBondContact O-N 3.17Å; N123-K125 WeakPolarHBondContact OD1-CB 3.47Å; N123-K125 PolarHBondContact OD1-N 3.48Å; K125-M127 VanDerWaalsContact C-N 3.32Å; K125-M127 PolarHBondContact O-N 3.15Å; K125-S128 PolarHBondContact O-N 3.08Å; K125-D129 IonicContact NZ-OD1 2.72Å; K125-D129 PolarHBondContact NZ-OD1 3.29Å; K125-D129 IonicContact NZ-OD2 2.77Å; K125-D129 PolarHBondContact NZ-OD2 2.98Å; K125-D129 WeakPolarHBondContact O-CB 3.47Å; K125-D129 PolarHBondContact O-N 3.42Å; K125-I575 HydrophobicContact CD-CD1 4.44Å
126I92.7Very high91.4Very high16 Ų1640.1 Ų40.18%0.08220%0.2CC..Hα-helixtrans-62.3-40.5177.1-65167000110.5A121 A122 N123 N124 D129 W130 I575A121-I126 HydrophobicContact CB-CB 4.18Å; A121-I126 HydrophobicContact CB-CG2 3.93Å; A122-I126 HydrophobicContact CB-CD1 4.12Å; N123-I126 WeakPolarHBondContact ND2-CD1 3.25Å; N123-I126 PolarHBondContact O-N 3.4Å; N123-I126 WeakPolarHBondContact OD1-CG1 3.41Å; N123-I126 PolarHBondContact OD1-N 2.87Å; N124-I126 PolarHBondContact O-N 3.1Å; I126-D129 PolarHBondContact O-N 2.85Å; I126-W130 PolarHBondContact O-N 3.16Å; I126-I575 HydrophobicContact CD1-CG2 3.79Å; I126-I575 HydrophobicContact CG1-CD1 4.47Å; I126-I575 HydrophobicContact CG1-CG2 4.13Å
127M93.2Very high91.5Very high3 Ų338.7 Ų38.72%0.01519%0.193CC..Hα-helixtrans-58.9-51.9174.5-178.9176.976.900111.4E94 C102 F104 A121 N123 N124 K125 D129 W130 V131E94-M127 HydrophobicContact CG-CE 4.05Å; E94-M127 HydrophobicContact CG-SD 4.41Å; E94-M127 VanDerWaalsContact OE1-CE 3.24Å; E94-M127 WeakPolarHBondContact OE1-CE 3.36Å; C102-M127 VanDerWaalsContact CA-SD 3.56Å; C102-M127 HydrophobicContact CB-CB 4.33Å; C102-M127 HydrophobicContact CB-SD 4.29Å; F104-M127 HydrophobicContact CB-CG 4.38Å; F104-M127 HydrophobicContact CB-SD 4.26Å; F104-M127 HydrophobicContact CD1-CG 3.74Å; F104-M127 HydrophobicContact CD1-SD 4.34Å; F104-M127 HydrophobicContact CE1-CG 4.39Å; F104-M127 HydrophobicContact CG-CG 4.35Å; A121-M127 HydrophobicContact CB-CB 3.81Å; N123-M127 PolarHBondContact O-N 2.82Å; N123-M127 VanDerWaalsContact O-N 3.08Å; N124-M127 WeakPolarHBondContact ND2-CE 3.36Å; N124-M127 WeakPolarHBondContact O-CB 3.43Å; N124-M127 PolarHBondContact O-N 2.84Å; N124-M127 VanDerWaalsContact O-N 3.15Å; K125-M127 VanDerWaalsContact C-N 3.32Å; K125-M127 PolarHBondContact O-N 3.15Å; M127-D129 PolarHBondContact O-N 3.34Å; M127-W130 PolarHBondContact O-N 3.24Å; M127-W130 VanDerWaalsContact O-N 3.15Å; M127-V131 HydrophobicContact CG-CG2 4.14Å; M127-V131 WeakPolarHBondContact O-CB 3.19Å; M127-V131 WeakPolarHBondContact O-CG2 3.32Å; M127-V131 PolarHBondContact O-N 3.23Å
128S91.6Very high91.3Very high54 Ų5438.7 Ų38.738%0.37819%0.194SC..Hα-helixtrans-62.1-40.7179.9-61.30000112N124 K125 W130 V131 H132N124-S128 WeakPolarHBondContact O-CB 3.2Å; N124-S128 PolarHBondContact O-N 2.94Å; N124-S128 PolarHBondContact O-OG 2.93Å; N124-S128 VanDerWaalsContact O-OG 3.1Å; N124-S128 PolarHBondContact OD1-OG 3.41Å; K125-S128 PolarHBondContact O-N 3.08Å; S128-W130 PolarHBondContact O-N 2.97Å; S128-V131 PolarHBondContact O-N 3.48Å; S128-H132 WeakPolarHBondContact O-CB 3.5Å; S128-H132 PolarHBondContact O-N 2.86Å
129D93.1Very high91Very high45 Ų4545.1 Ų45.124%0.24123%0.225CC..Hα-helixtrans-58.2-45.4172.7-67.2-27.3000111.1I15 K125 I126 M127 H133I15-D129 HydrophobicContact CD1-CB 4.1Å; K125-D129 IonicContact NZ-OD1 2.72Å; K125-D129 PolarHBondContact NZ-OD1 3.29Å; K125-D129 IonicContact NZ-OD2 2.77Å; K125-D129 PolarHBondContact NZ-OD2 2.98Å; K125-D129 WeakPolarHBondContact O-CB 3.47Å; K125-D129 PolarHBondContact O-N 3.42Å; I126-D129 PolarHBondContact O-N 2.85Å; M127-D129 PolarHBondContact O-N 3.34Å; D129-H133 PolarHBondContact O-N 2.9Å; D129-H133 PolarHBondContact O-ND1 3.18Å
130W95.3Very high90.3Very high4 Ų445.8 Ų45.82%0.01523%0.229CC..Hα-helixtrans-67.4-51.9176.5-84.6106.5000112.6I15 L19 F54 L56 F69 F104 I126 M127 S128 H132 H133 L134I15-W130 HydrophobicContact CD1-CD2 3.98Å; I15-W130 HydrophobicContact CD1-CE3 4.36Å; I15-W130 HydrophobicContact CD1-CG 4.16Å; I15-W130 HydrophobicContact CG1-CD2 4.29Å; I15-W130 HydrophobicContact CG1-CE3 4.42Å; I15-W130 HydrophobicContact CG1-CH2 4.27Å; I15-W130 HydrophobicContact CG1-CZ2 4.16Å; I15-W130 HydrophobicContact CG1-CZ3 4.4Å; I15-W130 HydrophobicContact CG2-CD2 4.45Å; I15-W130 HydrophobicContact CG2-CE3 3.79Å; I15-W130 HydrophobicContact CG2-CH2 4.17Å; I15-W130 HydrophobicContact CG2-CZ3 3.62Å; L19-W130 HydrophobicContact CD1-CD2 4.1Å; L19-W130 HydrophobicContact CD1-CG 4.23Å; L19-W130 HydrophobicContact CD2-CG 4.48Å; F54-W130 HydrophobicContact CB-CH2 3.55Å; F54-W130 HydrophobicContact CB-CZ2 3.85Å; F54-W130 HydrophobicContact CB-CZ3 4.34Å; L56-W130 HydrophobicContact CB-CZ3 4.03Å; F69-W130 HydrophobicContact CD2-CZ3 4.12Å; F69-W130 AromaticContact CE2-CE3 3.93Å; F69-W130 HydrophobicContact CE2-CE3 3.93Å; F69-W130 HydrophobicContact CE2-CH2 4.01Å; F69-W130 AromaticContact CE2-CZ3 3.36Å; F69-W130 HydrophobicContact CE2-CZ3 3.36Å; F69-W130 HydrophobicContact CZ-CE3 4.22Å; F69-W130 HydrophobicContact CZ-CZ3 4.09Å; F104-W130 HydrophobicContact CZ-CB 4.16Å; I126-W130 PolarHBondContact O-N 3.16Å; M127-W130 PolarHBondContact O-N 3.24Å; M127-W130 VanDerWaalsContact O-N 3.15Å; S128-W130 PolarHBondContact O-N 2.97Å; W130-H132 VanDerWaalsContact C-N 3.32Å; W130-H132 PolarHBondContact O-N 3.12Å; W130-H133 PolarHBondContact O-N 3.4Å; W130-L134 HydrophobicContact CB-CD1 4.45Å; W130-L134 HydrophobicContact CE3-CD1 4.43Å; W130-L134 WeakPolarHBondContact O-CB 3.38Å; W130-L134 WeakPolarHBondContact O-CD1 3.39Å; W130-L134 WeakPolarHBondContact O-CG 3.4Å; W130-L134 PolarHBondContact O-N 3.46Å
131V93.1Very high89.4Confident8 Ų848.2 Ų48.25%0.04824%0.244CC..Hα-helixtrans-58.8-44.1-177.4168.70000110.8I92 F104 M127 S128 L134 A135 L174 F175I92-V131 HydrophobicContact CG2-CG1 4.08Å; I92-V131 HydrophobicContact CG2-CG2 4.16Å; F104-V131 HydrophobicContact CB-CG2 4.19Å; F104-V131 HydrophobicContact CD1-CG2 4.41Å; F104-V131 HydrophobicContact CD2-CG2 3.91Å; F104-V131 HydrophobicContact CE2-CG2 4.35Å; F104-V131 HydrophobicContact CG-CG2 3.93Å; M127-V131 HydrophobicContact CG-CG2 4.14Å; M127-V131 WeakPolarHBondContact O-CB 3.19Å; M127-V131 WeakPolarHBondContact O-CG2 3.32Å; M127-V131 PolarHBondContact O-N 3.23Å; S128-V131 PolarHBondContact O-N 3.48Å; V131-L134 PolarHBondContact O-N 3.43Å; V131-A135 WeakPolarHBondContact O-CB 3.31Å; V131-A135 PolarHBondContact O-N 3.45Å; V131-L174 HydrophobicContact CG1-CD1 4.21Å; V131-F175 HydrophobicContact CG1-CD2 3.79Å; V131-F175 HydrophobicContact CG1-CE2 3.57Å
132H92.1Very high88.4Confident109 Ų10950 Ų5051%0.50525%0.253SS..Hα-helixtrans-65.2-41.5179.3-174.372.7000112.7S128 W130 R136S128-H132 WeakPolarHBondContact O-CB 3.5Å; S128-H132 PolarHBondContact O-N 2.86Å; W130-H132 VanDerWaalsContact C-N 3.32Å; W130-H132 PolarHBondContact O-N 3.12Å; H132-R136 VanDerWaalsContact O-CB 3.3Å; H132-R136 WeakPolarHBondContact O-CB 3.47Å; H132-R136 PolarHBondContact O-N 3.48Å; H132-R136 VanDerWaalsContact O-N 3.11Å
133H92.3Very high87.4Confident49 Ų4951 Ų5123%0.22726%0.255CS..Hα-helixtrans-69.6-37.5175-7598.3000112.7I14 I15 L56 D129 W130 V137I14-H133 HydrophobicContact CG2-CB 4.22Å; I14-H133 VanDerWaalsContact CG2-CD2 3.42Å; I14-H133 WeakPolarHBondContact CG2-CD2 3.46Å; I15-H133 HydrophobicContact CG2-CB 3.9Å; L56-H133 HydrophobicContact CD2-CB 4.09Å; D129-H133 PolarHBondContact O-N 2.9Å; D129-H133 PolarHBondContact O-ND1 3.18Å; W130-H133 PolarHBondContact O-N 3.4Å; H133-V137 VanDerWaalsContact O-CB 3.3Å; H133-V137 WeakPolarHBondContact O-CB 3.31Å; H133-V137 VanDerWaalsContact O-CG2 3.32Å; H133-V137 WeakPolarHBondContact O-CG2 3.43Å; H133-V137 PolarHBondContact O-N 3.1Å
134L93.8Very high85.9Confident0 Ų053 Ų530%027%0.274CS..Hα-helixtrans-67.5-44.1176.9-72165.4000112L56 F69 L86 I92 F104 I106 W130 V131 V137 A138L56-L134 HydrophobicContact CD1-CD2 3.94Å; L56-L134 HydrophobicContact CD2-CD2 4.06Å; L56-L134 HydrophobicContact CD2-CG 4.44Å; F69-L134 HydrophobicContact CD1-CD2 3.61Å; F69-L134 HydrophobicContact CD2-CD2 4.35Å; F69-L134 HydrophobicContact CE1-CD1 4.05Å; F69-L134 HydrophobicContact CE1-CD2 3.69Å; F69-L134 HydrophobicContact CE2-CD2 4.38Å; F69-L134 HydrophobicContact CG-CD2 4Å; F69-L134 HydrophobicContact CZ-CD1 4.16Å; F69-L134 HydrophobicContact CZ-CD2 4.08Å; L86-L134 HydrophobicContact CD1-CD2 4.02Å; L86-L134 HydrophobicContact CD2-CD2 4.27Å; I92-L134 HydrophobicContact CD1-CB 3.64Å; F104-L134 HydrophobicContact CE2-CD1 3.92Å; F104-L134 HydrophobicContact CZ-CD1 4.4Å; I106-L134 HydrophobicContact CD1-CD1 3.95Å; W130-L134 HydrophobicContact CB-CD1 4.45Å; W130-L134 HydrophobicContact CE3-CD1 4.43Å; W130-L134 WeakPolarHBondContact O-CB 3.38Å; W130-L134 WeakPolarHBondContact O-CD1 3.39Å; W130-L134 WeakPolarHBondContact O-CG 3.4Å; W130-L134 PolarHBondContact O-N 3.46Å; V131-L134 PolarHBondContact O-N 3.43Å; L134-V137 PolarHBondContact O-N 3.38Å; L134-A138 WeakPolarHBondContact O-CB 3.19Å; L134-A138 PolarHBondContact O-N 2.79Å
135A90.8Very high84.2Confident3 Ų353.9 Ų53.93%0.02528%0.282CS..Hα-helixtrans-62.3-46.3176.200000112.1I92 V131 V137 A138 E139 L140 F175I92-A135 HydrophobicContact CD1-CB 4.49Å; V131-A135 WeakPolarHBondContact O-CB 3.31Å; V131-A135 PolarHBondContact O-N 3.45Å; A135-V137 PolarHBondContact O-N 2.99Å; A135-A138 PolarHBondContact O-N 3.48Å; A135-E139 PolarHBondContact O-N 2.8Å; A135-L140 HydrophobicContact CB-CB 4.34Å; A135-L140 PolarHBondContact O-N 3.46Å; A135-L140 VanDerWaalsContact O-N 3.08Å; A135-F175 HydrophobicContact CB-CB 4.04Å; A135-F175 HydrophobicContact CB-CD1 3.4Å; A135-F175 HydrophobicContact CB-CD2 3.95Å; A135-F175 HydrophobicContact CB-CE1 3.75Å; A135-F175 HydrophobicContact CB-CE2 4.3Å; A135-F175 HydrophobicContact CB-CG 3.51Å; A135-F175 HydrophobicContact CB-CZ 4.21Å
136R88.4Confident82.1Confident156 Ų15651.1 Ų51.159%0.58928%0.275SS*.Hα-helixtrans-59.1-33.1173.8179.5-175.8-75.7134.20.2112.7H132H132-R136 VanDerWaalsContact O-CB 3.3Å; H132-R136 WeakPolarHBondContact O-CB 3.47Å; H132-R136 PolarHBondContact O-N 3.48Å; H132-R136 VanDerWaalsContact O-N 3.11Å
137V86.8Confident79.4Confident19 Ų1958.1 Ų58.112%0.11531%0.313CS..Hα-helixtrans-82.4-37.4-179.7154.70000113.2I14 L56 I67 L86 H133 L134 A135 E139I14-V137 HydrophobicContact CD1-CG2 3.53Å; L56-V137 HydrophobicContact CD1-CG1 4.26Å; L56-V137 HydrophobicContact CD2-CB 4.45Å; L56-V137 HydrophobicContact CD2-CG2 4.03Å; I67-V137 HydrophobicContact CB-CG1 3.97Å; I67-V137 HydrophobicContact CD1-CG1 3.94Å; I67-V137 HydrophobicContact CD1-CG2 4.37Å; I67-V137 HydrophobicContact CG2-CB 4.5Å; I67-V137 HydrophobicContact CG2-CG1 3.49Å; I67-V137 VanDerWaalsContact CG2-CG1 3.49Å; I67-V137 HydrophobicContact CG2-CG2 4.16Å; L86-V137 HydrophobicContact CD1-CG1 3.83Å; H133-V137 VanDerWaalsContact O-CB 3.3Å; H133-V137 WeakPolarHBondContact O-CB 3.31Å; H133-V137 VanDerWaalsContact O-CG2 3.32Å; H133-V137 WeakPolarHBondContact O-CG2 3.43Å; H133-V137 PolarHBondContact O-N 3.1Å; L134-V137 PolarHBondContact O-N 3.38Å; A135-V137 PolarHBondContact O-N 2.99Å; V137-E139 VanDerWaalsContact C-N 3.3Å
138A85.9Confident76.9Confident6 Ų661.4 Ų61.45%0.0533%0.333CS..Hα-helixtrans-90.46.7-176.300000113.8C89 L134 A135 L140 R177C89-A138 HydrophobicContact CB-CB 3.99Å; L134-A138 WeakPolarHBondContact O-CB 3.19Å; L134-A138 PolarHBondContact O-N 2.79Å; A135-A138 PolarHBondContact O-N 3.48Å; A138-L140 VanDerWaalsContact C-N 3.35Å; A138-L140 HydrophobicContact CB-CD1 4.14Å; A138-L140 HydrophobicContact CB-CD2 4.16Å; A138-L140 HydrophobicContact CB-CG 3.84Å; A138-R177 PolarHBondContact O-NH2 2.87Å; A138-R177 VanDerWaalsContact O-NH2 3.1Å
139E83.1Confident74.1Confident157 Ų15765.3 Ų65.373%0.73435%0.35SS*.THydrogen-bonded Turntrans57.144.3-178.8-61.6176.6-176.500112.4A135 V137 P178A135-E139 PolarHBondContact O-N 2.8Å; V137-E139 VanDerWaalsContact C-N 3.3Å; E139-P178 VanDerWaalsContact O-CD 3.31Å; E139-P178 WeakPolarHBondContact O-CD 3.31Å
140L78.3Confident71.5Confident14 Ų1467.4 Ų67.47%0.07337%0.368CS..  trans-95.8138.6179.1-46.4178.8000110.5I92 A135 A138 F175 R177I92-L140 HydrophobicContact CB-CD1 4.47Å; I92-L140 HydrophobicContact CD1-CD1 3.7Å; I92-L140 HydrophobicContact CG1-CD1 3.61Å; A135-L140 HydrophobicContact CB-CB 4.34Å; A135-L140 PolarHBondContact O-N 3.46Å; A135-L140 VanDerWaalsContact O-N 3.08Å; A138-L140 VanDerWaalsContact C-N 3.35Å; A138-L140 HydrophobicContact CB-CD1 4.14Å; A138-L140 HydrophobicContact CB-CD2 4.16Å; A138-L140 HydrophobicContact CB-CG 3.84Å; L140-F175 HydrophobicContact CB-CB 3.7Å; L140-F175 HydrophobicContact CD1-CB 4.09Å; L140-R177 HydrophobicContact CD2-CB 3.7Å
141V72.9Confident68.5Low62 Ų6273.5 Ų73.538%0.37640%0.401SS..EExtended strand (participates in β ladder)trans-95.3140.1179.2179.70000109.8V143 T146 F175 Q176 P178V141-V143 PolarHBondContact O-N 2.57Å; V141-T146 HydrophobicContact CG1-CG2 3.37Å; V141-F175 VanDerWaalsContact O-CA 3.29Å; V141-F175 WeakPolarHBondContact O-CA 3.45Å; V141-Q176 PolarHBondContact N-O 2.76Å; V141-Q176 PolarHBondContact O-N 3.05Å; V141-P178 HydrophobicContact CG2-CB 4.36Å; V141-P178 HydrophobicContact CG2-CG 4.18Å
142D73.3Confident65.9Low44 Ų4478 Ų7824%0.23542%0.421CS..EExtended strand (participates in β ladder)trans-72.1112.8177-171.4-38.5000110.8S144 T145 T146 F175D142-S144 PolarHBondContact O-N 2.56Å; D142-S144 WeakPolarHBondContact OD1-CA 3.43Å; D142-S144 VanDerWaalsContact OD1-CB 3.3Å; D142-S144 WeakPolarHBondContact OD1-CB 3.49Å; D142-S144 PolarHBondContact OD1-N 2.93Å; D142-S144 PolarHBondContact OD1-OG 3.28Å; D142-T145 HydrophobicContact CB-CG2 4.05Å; D142-T145 PolarHBondContact O-N 3.38Å; D142-T145 PolarHBondContact O-OG1 3.19Å; D142-T146 PolarHBondContact O-N 2.74Å; D142-F175 HydrophobicContact CB-CD1 3.9Å; D142-F175 HydrophobicContact CB-CE1 3.55Å; D142-F175 HydrophobicContact CB-CZ 4.27Å
143V67.3Low63.1Low59 Ų5980.6 Ų80.636%0.35843%0.427SS..THydrogen-bonded Turntrans-69.2-22-173.8-174.80000111.8V141 T145 T146 P173 L174 Q176V141-V143 PolarHBondContact O-N 2.57Å; V143-T145 VanDerWaalsContact C-N 3.35Å; V143-T146 PolarHBondContact O-OG1 3.43Å; V143-P173 HydrophobicContact CG2-CG 4.34Å; V143-P173 WeakPolarHBondContact CG2-O 3.36Å; V143-L174 PolarHBondContact N-O 2.83Å; V143-Q176 HydrophobicContact CG2-CB 3.91Å
144S59.1Low60.2Low106 Ų10682.6 Ų82.674%0.74144%0.442SS*.THydrogen-bonded Turntrans-75-24.5176.476.80000113.2D142D142-S144 PolarHBondContact O-N 2.56Å; D142-S144 WeakPolarHBondContact OD1-CA 3.43Å; D142-S144 VanDerWaalsContact OD1-CB 3.3Å; D142-S144 WeakPolarHBondContact OD1-CB 3.49Å; D142-S144 PolarHBondContact OD1-N 2.93Å; D142-S144 PolarHBondContact OD1-OG 3.28Å
145T53.6Low57.3Low100 Ų10087.2 Ų87.261%0.61347%0.47SS*.THydrogen-bonded Turntrans-94.3-20.7-176.7680000113.7D142 V143 N147D142-T145 HydrophobicContact CB-CG2 4.05Å; D142-T145 PolarHBondContact O-N 3.38Å; D142-T145 PolarHBondContact O-OG1 3.19Å; V143-T145 VanDerWaalsContact C-N 3.35Å; T145-N147 PolarHBondContact O-N 3.05Å
146T46.5Very low54.7Low59 Ų5990.8 Ų90.836%0.36249%0.491SS..  trans-75.799.7-176.249.90000111.7V141 D142 V143 V148V141-T146 HydrophobicContact CG1-CG2 3.37Å; D142-T146 PolarHBondContact O-N 2.74Å; V143-T146 PolarHBondContact O-OG1 3.43Å; T146-V148 PolarHBondContact O-N 3.3Å
147N36.7Very low52.1Low163 Ų16388 Ų8887%0.87249%0.485SS*.  trans-71.865.5167.6-1709.4000110.7T145T145-N147 PolarHBondContact O-N 3.05Å
148V41.4Very low49.4Very low72 Ų7292.8 Ų92.844%0.43651%0.51SS..  trans-75127.4179.3-166.20000109.1T146 S150 Q152T146-V148 PolarHBondContact O-N 3.3Å; V148-S150 PolarHBondContact O-N 3.35Å; V148-Q152 HydrophobicContact CG1-CB 3.75Å; V148-Q152 HydrophobicContact CG1-CG 4.09Å; V148-Q152 VanDerWaalsContact CG1-OE1 3.24Å
149N32.9Very low47.2Very low137 Ų13798 Ų9873%0.73354%0.536SS*.  trans-47.1136.2174.2-95.6-31.6000111.3N151 Q152N149-N151 PolarHBondContact O-N 2.93Å; N149-Q152 PolarHBondContact O-N 3.26Å; N149-Q152 VanDerWaalsContact O-N 3.12Å
150S36.9Very low44.9Very low88 Ų8896.9 Ų96.962%0.61554%0.535SS*.THydrogen-bonded Turntrans-48-23.4-168.850.60000116V148V148-S150 PolarHBondContact O-N 3.35Å
151N33Very low42.6Very low132 Ų132100.3 Ų100.371%0.70656%0.56SS**THydrogen-bonded Turntrans-84.1-11.1-170.9-55.4-1.9000113.4N149N149-N151 PolarHBondContact O-N 2.93Å
152Q38.8Very low40.6Very low103 Ų103102.1 Ų102.148%0.48158%0.576SS.*THydrogen-bonded Turntrans-89.1-21.8172.6-64.9-168.80.300113.2V148 N149 T154 V155V148-Q152 HydrophobicContact CG1-CB 3.75Å; V148-Q152 HydrophobicContact CG1-CG 4.09Å; V148-Q152 VanDerWaalsContact CG1-OE1 3.24Å; N149-Q152 PolarHBondContact O-N 3.26Å; N149-Q152 VanDerWaalsContact O-N 3.12Å; Q152-T154 VanDerWaalsContact C-N 3.26Å; Q152-T154 PolarHBondContact O-N 3.14Å; Q152-V155 WeakPolarHBondContact O-CB 3.33Å; Q152-V155 PolarHBondContact O-N 2.82Å
153R32.2Very low38.4Very low164 Ų164111.6 Ų111.662%0.61961%0.608SS**Hα-helixtrans-56.4-39.9-179.5-175.8174.3177.1148.24.4112.5V155 V156 E157R153-V155 PolarHBondContact O-N 2.91Å; R153-V156 PolarHBondContact O-N 3.36Å; R153-V156 VanDerWaalsContact O-N 3.1Å; R153-E157 WeakPolarHBondContact CG-OE1 2.99Å; R153-E157 IonicContact CZ-OE1 3.33Å; R153-E157 IonicContact NE-OE1 3.81Å; R153-E157 PolarHBondContact NE-OE1 2.94Å; R153-E157 IonicContact NH2-OE1 2.67Å; R153-E157 PolarHBondContact NH2-OE1 3.33Å; R153-E157 PolarHBondContact O-N 3.23Å; R153-E157 VanDerWaalsContact O-N 3.12Å
154T32.1Very low36.5Very low90 Ų90114.5 Ų114.555%0.55263%0.631SS**Hα-helixtrans-60.7-24177.9-320000113.6Q152 N158Q152-T154 VanDerWaalsContact C-N 3.26Å; Q152-T154 PolarHBondContact O-N 3.14Å; T154-N158 PolarHBondContact O-N 2.81Å
155V32.9Very low35Very low98 Ų98115.1 Ų115.159%0.59464%0.642SS**Hα-helixtrans-78.3-38.4176.8-175.60000110.8Q152 R153 N158Q152-V155 WeakPolarHBondContact O-CB 3.33Å; Q152-V155 PolarHBondContact O-N 2.82Å; R153-V155 PolarHBondContact O-N 2.91Å; V155-N158 PolarHBondContact O-N 3.44Å
156V36.8Very low33.7Very low77 Ų77112.6 Ų112.647%0.46764%0.637SS.*Hα-helixtrans-68.4-42.1178.3-176.10000111R153 N158 I159R153-V156 PolarHBondContact O-N 3.36Å; R153-V156 VanDerWaalsContact O-N 3.1Å; V156-N158 VanDerWaalsContact C-N 3.3Å; V156-N158 PolarHBondContact O-N 3.08Å; V156-I159 PolarHBondContact O-N 2.89Å
157E33.5Very low32.8Very low98 Ų98113.9 Ų113.946%0.45866%0.662SS.*Hα-helixtrans-68.1-27.4179-70.2171.8-177.900112.6R153 N160R153-E157 WeakPolarHBondContact CG-OE1 2.99Å; R153-E157 IonicContact CZ-OE1 3.33Å; R153-E157 IonicContact NE-OE1 3.81Å; R153-E157 PolarHBondContact NE-OE1 2.94Å; R153-E157 IonicContact NH2-OE1 2.67Å; R153-E157 PolarHBondContact NH2-OE1 3.33Å; R153-E157 PolarHBondContact O-N 3.23Å; R153-E157 VanDerWaalsContact O-N 3.12Å; E157-N160 PolarHBondContact O-N 3.35Å
158N30.8Very low32.7Very low119 Ų119111.6 Ų111.664%0.63665%0.653SS**Hα-helixtrans-74.3-30.9179.5-127.7-15.6000113.7T154 V155 V156 N160 S161T154-N158 PolarHBondContact O-N 2.81Å; V155-N158 PolarHBondContact O-N 3.44Å; V156-N158 VanDerWaalsContact C-N 3.3Å; V156-N158 PolarHBondContact O-N 3.08Å; N158-N160 PolarHBondContact O-N 2.95Å; N158-S161 PolarHBondContact O-N 2.65Å
159I39.5Very low32.6Very low117 Ų117110.9 Ų110.960%0.665%0.651SS**Hα-helixtrans-62.9-32.3177.5-64.7165.6000110.7V156 S161 S162V156-I159 PolarHBondContact O-N 2.89Å; I159-S161 VanDerWaalsContact C-N 3.27Å; I159-S161 PolarHBondContact O-N 2.77Å; I159-S162 PolarHBondContact O-OG 2.83Å
160N35.3Very low32.9Very low133 Ų133112.4 Ų112.471%0.71166%0.659SS**THydrogen-bonded Turntrans-77.9-4-179.9-64.5-28.4000114.3E157 N158E157-N160 PolarHBondContact O-N 3.35Å; N158-N160 PolarHBondContact O-N 2.95Å
161S29.9Very low33.8Very low85 Ų85110.1 Ų110.159%0.59464%0.639SS**THydrogen-bonded Turntrans-88.5-2.6-177.6-690000114.7N158 I159 R163N158-S161 PolarHBondContact O-N 2.65Å; I159-S161 VanDerWaalsContact C-N 3.27Å; I159-S161 PolarHBondContact O-N 2.77Å; S161-R163 PolarHBondContact O-N 3.45Å
162S30Very low35Very low101 Ų101108.6 Ų108.671%0.70664%0.636SS**  trans-77.281.6178.354.20000112.3I159 S164I159-S162 PolarHBondContact O-OG 2.83Å; S162-S164 PolarHBondContact O-N 2.92Å
163R27Very low36.5Very low242 Ų242105.3 Ų105.391%0.91362%0.624SS**  trans-47.5120.8174.4-74.3178.4167.6-170.5-3.3112.3S161S161-R163 PolarHBondContact O-N 3.45Å
164S27.5Very low38.5Very low120 Ų120100.4 Ų100.484%0.83961%0.609SS**  trans-157149.3158.2-86.20000110.9S162 G166S162-S164 PolarHBondContact O-N 2.92Å; S164-G166 PolarHBondContact O-N 2.88Å
165A27.2Very low40.7Very low119 Ų11997 Ų9798%0.98359%0.587SS**SBendtrans-77.9110.1-165.500000113.5
166G26.4Very low42.8Very low48 Ų4895.5 Ų95.550%0.49557%0.573SS.*SBendtrans168.9126.3171.800000109S164 V168S164-G166 PolarHBondContact O-N 2.88Å; G166-V168 PolarHBondContact O-N 2.93Å
167G27.4Very low44.6Very low86 Ų8696.2 Ų96.289%0.88757%0.568SS**  trans-63.6102.7-169.500000113.2
168V36Very low46.4Very low114 Ų11495.1 Ų95.169%0.69157%0.569SS**  trans-90.2142170.5-173.70000108.9G166 N170G166-V168 PolarHBondContact O-N 2.93Å; V168-N170 PolarHBondContact O-N 2.93Å
169C39.1Very low47.9Very low57 Ų5794.2 Ų94.239%0.38557%0.572SS.*  trans-69.5124.3175.7-55.90000110.4E171C169-E171 PolarHBondContact O-N 2.93Å
170N39.8Very low48.3Very low169 Ų16998.8 Ų98.890%0.90459%0.587SS**  trans-80.318.2174.6-63.6-28.9000113V168V168-N170 PolarHBondContact O-N 2.93Å
171E55.6Low48.4Very low40 Ų4098.6 Ų98.619%0.18759%0.585CS.*SBendtrans-95.4124.9-172.2-161.2157.9-157.900108.1V93 N95 V96 N97 C169V93-E171 HydrophobicContact CG1-CB 4.25Å; V93-E171 HydrophobicContact CG1-CG 4.45Å; N95-E171 WeakPolarHBondContact CA-OE2 3.24Å; V96-E171 WeakPolarHBondContact CB-OE1 3.4Å; V96-E171 WeakPolarHBondContact CG2-OE1 3.35Å; V96-E171 PolarHBondContact N-OE1 3.4Å; V96-E171 PolarHBondContact N-OE2 3.37Å; N97-E171 PolarHBondContact ND2-OE1 2.89Å; N97-E171 PolarHBondContact ND2-OE2 3.1Å; C169-E171 PolarHBondContact O-N 2.93Å
172P57.7Low48.4Very low101 Ų10198.3 Ų98.366%0.65658%0.583SS**PPolyproline II helixtrans-64.3142.5-173.426.1-34.1000110.9L174P172-L174 PolarHBondContact O-N 3.49Å
173P70.8Confident48.4Very low34 Ų3499.5 Ų99.522%0.22159%0.588CS.*PPolyproline II helixtrans-64.5135.6177.227.1-33.3000110.4C91 V93 V143 F175 Q176C91-P173 HydrophobicContact CB-CB 3.79Å; V93-P173 HydrophobicContact CG2-CB 4.33Å; V143-P173 HydrophobicContact CG2-CG 4.34Å; V143-P173 WeakPolarHBondContact CG2-O 3.36Å; P173-F175 VanDerWaalsContact C-N 3.35Å; P173-Q176 HydrophobicContact CG-CB 4.39Å
174L73.9Confident48.7Very low60 Ų6093.6 Ų93.631%0.31458%0.575SS.*SBendtrans-65.3-45.3169.5-68.7-176.5000109.9I92 E94 V131 V143 P172I92-L174 PolarHBondContact O-N 2.88Å; E94-L174 HydrophobicContact CB-CD1 3.73Å; E94-L174 HydrophobicContact CB-CG 4.12Å; V131-L174 HydrophobicContact CG1-CD1 4.21Å; V143-L174 PolarHBondContact N-O 2.83Å; P172-L174 PolarHBondContact O-N 3.49Å
175F78.3Confident48.9Very low19 Ų1995.4 Ų95.48%0.08358%0.575CS.*EExtended strand (participates in β ladder)trans-132.2134.2-178.4-62.5-93.2000110.3C91 I92 V131 A135 L140 V141 D142 P173C91-F175 CarbonylContact C-O 3.6Å; C91-F175 WeakPolarHBondContact CA-O 3.31Å; C91-F175 WeakPolarHBondContact CB-O 3.45Å; I92-F175 PolarHBondContact N-O 3.25Å; I92-F175 PolarHBondContact O-N 3.27Å; V131-F175 HydrophobicContact CG1-CD2 3.79Å; V131-F175 HydrophobicContact CG1-CE2 3.57Å; A135-F175 HydrophobicContact CB-CB 4.04Å; A135-F175 HydrophobicContact CB-CD1 3.4Å; A135-F175 HydrophobicContact CB-CD2 3.95Å; A135-F175 HydrophobicContact CB-CE1 3.75Å; A135-F175 HydrophobicContact CB-CE2 4.3Å; A135-F175 HydrophobicContact CB-CG 3.51Å; A135-F175 HydrophobicContact CB-CZ 4.21Å; L140-F175 HydrophobicContact CB-CB 3.7Å; L140-F175 HydrophobicContact CD1-CB 4.09Å; V141-F175 VanDerWaalsContact O-CA 3.29Å; V141-F175 WeakPolarHBondContact O-CA 3.45Å; D142-F175 HydrophobicContact CB-CD1 3.9Å; D142-F175 HydrophobicContact CB-CE1 3.55Å; D142-F175 HydrophobicContact CB-CZ 4.27Å; P173-F175 VanDerWaalsContact C-N 3.35Å
176Q75.7Confident49.1Very low66 Ų6697.7 Ų97.731%0.30857%0.571SS.*EExtended strand (participates in β ladder)trans-131.6144.4178.5-170.6170.36.600110.7C91 V141 V143 P173C91-Q176 HydrophobicContact CB-CB 4.38Å; C91-Q176 HydrophobicContact CB-CG 4.36Å; V141-Q176 PolarHBondContact N-O 2.76Å; V141-Q176 PolarHBondContact O-N 3.05Å; V143-Q176 HydrophobicContact CG2-CB 3.91Å; P173-Q176 HydrophobicContact CG-CB 4.39Å
177R75.7Confident49.4Very low93 Ų93103 Ų10335%0.35159%0.588SS.*PPolyproline II helixtrans-65.6129.1173.7178.5164.3-77.3174.2-1.8109.2E87 C89 E90 A138 L140 S179E87-R177 PolarHBondContact O-NH1 3.25Å; E87-R177 PolarHBondContact O-NH2 3.16Å; C89-R177 PolarHBondContact O-NE 2.93Å; C89-R177 PolarHBondContact O-NH1 2.9Å; E90-R177 PolarHBondContact O-N 3.03Å; A138-R177 PolarHBondContact O-NH2 2.87Å; A138-R177 VanDerWaalsContact O-NH2 3.1Å; L140-R177 HydrophobicContact CD2-CB 3.7Å; R177-S179 PolarHBondContact O-N 2.86Å
178P71.2Confident49.8Very low75 Ų75106.9 Ų106.949%0.48759%0.588SS.*PPolyproline II helixtrans-62.7128-179.524-32.9000111E139 V141 K180E139-P178 VanDerWaalsContact O-CD 3.31Å; E139-P178 WeakPolarHBondContact O-CD 3.31Å; V141-P178 HydrophobicContact CG2-CB 4.36Å; V141-P178 HydrophobicContact CG2-CG 4.18Å; P178-K180 PolarHBondContact O-N 2.89Å
179S61.9Low49.6Very low100 Ų100104.8 Ų104.870%0.69959%0.59SS**PPolyproline II helixtrans-61.1123.5176.9-62.80000110.7R177 I181R177-S179 PolarHBondContact O-N 2.86Å; S179-I181 PolarHBondContact O-N 2.78Å
180K48.1Very low49.3Very low212 Ų212109.5 Ų109.592%0.92261%0.611SS**  trans-68.193.7169-72.2-170.7177-174.80109.6P178 S182P178-K180 PolarHBondContact O-N 2.89Å; K180-S182 PolarHBondContact O-N 3.18Å
181I37.7Very low49Very low129 Ų129111 Ų11166%0.66261%0.612SS**  trans-66.1118166.4-59.3174.9000107S179S179-I181 PolarHBondContact O-N 2.78Å
182S30Very low48.1Very low79 Ų79113.7 Ų113.755%0.55264%0.635SS**  trans-69.4133.1172.3-158.60000109K180 D184K180-S182 PolarHBondContact O-N 3.18Å; S182-D184 PolarHBondContact O-N 2.71Å; S182-D184 PolarHBondContact OG-OD2 2.56Å
183P30.5Very low47Very low126 Ų126116.7 Ų116.782%0.81865%0.646SS**SBendtrans-80.662.9-178.934.8-36.6000111.5
184D31.6Very low45.1Very low118 Ų118119 Ų11963%0.63168%0.676SS**  trans-132.2151.8177.6-77.8-67.1000111.4S182S182-D184 PolarHBondContact O-N 2.71Å; S182-D184 PolarHBondContact OG-OD2 2.56Å
185N32.5Very low43.1Very low158 Ų158119.8 Ų119.885%0.84570%0.698SS**  trans67.655.8-178.4-53.1-51.6000115.8
186N30.8Very low40.9Very low168 Ų168126.3 Ų126.390%0.89873%0.734SS**  trans-125.922.9156.6-117.5-7.6000113.2N188N186-N188 PolarHBondContact O-N 3.17Å
187D33Very low39Very low160 Ų160130.6 Ų130.686%0.85676%0.757SS**  trans-83.488.3167.1-92.6-36.1000110.7
188N36.4Very low37Very low166 Ų166129 Ų12989%0.88877%0.77SS**  trans-136.492.9151.6-95.4-58.2000106.9N186N186-N188 PolarHBondContact O-N 3.17Å
189G31.9Very low35.1Very low71 Ų71131.6 Ų131.673%0.73278%0.784SS**  trans-63.2151.9-166.300000114.5H191G189-H191 PolarHBondContact O-N 3.24Å
190L32.5Very low33.9Very low156 Ų156137.1 Ų137.182%0.81780%0.796SS**  trans-53.5133.1168.9-69.863.8000110.2
191H34.1Very low33Very low200 Ų200132.3 Ų132.393%0.92679%0.789SS**  trans-148.1136.9137.6-102.7-75000109.7G189G189-H191 PolarHBondContact O-N 3.24Å
192S37Very low33.2Very low96 Ų96130.7 Ų130.767%0.67179%0.787SS**  trans-103.6146.6-153.1-48.90000114.8
193N32.6Very low33.2Very low165 Ų165133 Ų13388%0.88279%0.793SS**  trans43115.7144.4-59.7-15.4000120.4
194G32.2Very low33.2Very low82 Ų82133.2 Ų133.285%0.84579%0.787SS**  129.8144.8128.800000118.1
195G31Very low33.4Very low76 Ų76134.2 Ų134.278%0.78479%0.788SS**  trans94.768.1151.300000118.7
196D32.4Very low33.4Very low156 Ų156136 Ų13683%0.83478%0.783SS**  31.1164.8123.6-157.920.2000122.8
197I36.3Very low33.3Very low157 Ų157137.2 Ų137.281%0.80578%0.783SS**  trans83.1127.1165.9-49.4175.2000116.8
198G32.4Very low33.3Very low60 Ų60135.3 Ų135.362%0.61978%0.777SS**  trans134.432.6132.500000121.8
199T31.7Very low33Very low128 Ų128134.6 Ų134.679%0.78577%0.773SS**  trans16.8121.3150.957.50000120.1
200K36.8Very low33Very low216 Ų216136.2 Ų136.294%0.93977%0.773SS**  -163.9161.7121.2-104.4154-168.6175.70111.6
201S30.6Very low32.8Very low111 Ų111135.7 Ų135.778%0.77677%0.771SS**  trans-132.9-164.9-157.2-157.20000111.1
202P40.2Very low32.7Very low95 Ų95133.1 Ų133.162%0.61776%0.764SS**  -122.5-177.6-99.341.4-26.8000113.1
203N31.8Very low32.4Very low129 Ų129137.3 Ų137.369%0.6977%0.772SS**  168.1145.3124.1-96.7-49.5000114.9
204N30.5Very low32.4Very low130 Ų130134.3 Ų134.370%0.69576%0.76SS**  trans64.7150145-68-32.3000119.1
205Q34Very low32.2Very low138 Ų138136.4 Ų136.465%0.64575%0.752SS**  cis-155.4163.38-135.1175.172.100111.9
206R32.6Very low32Very low197 Ų197142.4 Ų142.474%0.74375%0.751SS**  trans64.488.7157.3-65.5168.2-176.6-94.3-2.2118.8V208R206-V208 HydrophobicContact CB-CG2 4.5Å
207Q28.7Very low32Very low192 Ų192141.3 Ų141.390%0.89775%0.745SS**  -72.5149.5126.1-77.8-179.5-24.100109.1
208V34.7Very low31.7Very low120 Ų120141.1 Ų141.173%0.72775%0.745SS**  trans-127.5122.9167.8176.20000108.1R206R206-V208 HydrophobicContact CB-CG2 4.5Å
209L29.4Very low31.8Very low152 Ų152146 Ų14680%0.79676%0.757SS**  trans-85.8141.6173.6-72.1143.7000109.9
210S31.3Very low31.7Very low105 Ų105147.1 Ų147.173%0.73476%0.759SS**  trans-142.397.3149.358.20000110.1
211N29Very low31.3Very low144 Ų144140.4 Ų140.477%0.7775%0.75SS**  trans-67.4133.9158.8-70.3-17.5000108.1
212N32.2Very low31.2Very low146 Ų146144.3 Ų144.378%0.78176%0.756SS**  trans-141.390.3161.5-96.8-32.7000109.2V214N212-V214 PolarHBondContact O-N 3.44Å
213H29.8Very low30.7Very low184 Ų184146.9 Ų146.985%0.85277%0.765SS**  trans-88.390.4172.5172.7-60.5000108.2
214V33.4Very low30.5Very low103 Ų103146.7 Ų146.762%0.62476%0.764SS**  trans-143.9116179.7178.90000109.3N212N212-V214 PolarHBondContact O-N 3.44Å
215N28.5Very low30.5Very low126 Ų126151 Ų15167%0.67477%0.772SS**  trans34.3138.5133.7-51.5-14.4000118.4
216R26.7Very low30.3Very low202 Ų202152.1 Ų152.176%0.76278%0.775SS**  cis-176.8177.924.2-137.1178.8-171.7165.90.6112.3
217D30.5Very low30Very low133 Ų133150.3 Ų150.371%0.71178%0.775SS**  trans69.8139.5152.3-55.5-30.5000118.4
218D31.3Very low30.1Very low152 Ų152147.9 Ų147.981%0.81377%0.773SS**  trans-76.9147.1-178.9-46.4-98.6000111.9
219D33.6Very low29.8Very low162 Ų162149 Ų14987%0.86677%0.773SS**  trans-140136.9154.5-145.6-17.3000110.7
220N30.9Very low29.6Very low153 Ų153145.2 Ų145.282%0.81877%0.771SS**  trans-101.389.2-174.5-73.9-102.7000108.8
221G28.5Very low29.3Very low74 Ų74143.1 Ų143.176%0.76377%0.766SS**  trans-9313417900000113.4
222E27.6Very low29.1Very low194 Ų194142.5 Ų142.591%0.90777%0.767SS**  trans-79.2119.7175.3-59.9174125.200110.8
223D29Very low29Very low148 Ų148142.9 Ų142.979%0.79177%0.769SS**  trans-94.1111.9171-102.6-29000111Y225D223-Y225 WeakPolarHBondContact O-CD2 3.35Å; D223-Y225 PolarHBondContact O-N 3.33Å
224D29.3Very low28.9Very low125 Ų125143.9 Ų143.967%0.66877%0.767SS**  trans-75.183.1-163.2-154.510.4000113.3K226D224-K226 VanDerWaalsContact C-N 3.29Å; D224-K226 PolarHBondContact O-N 3.31Å; D224-K226 WeakPolarHBondContact OD2-CE 3.27Å; D224-K226 IonicContact OD2-NZ 3.48Å
225Y28.7Very low28.6Very low220 Ų220147 Ų14786%0.86378%0.779SS**  trans-76.677.5170.3-78.6-87.4000111.5D223 E227D223-Y225 WeakPolarHBondContact O-CD2 3.35Å; D223-Y225 PolarHBondContact O-N 3.33Å; Y225-E227 PolarHBondContact O-N 3.5Å
226K30.9Very low28.7Very low163 Ų163148.7 Ų148.771%0.70979%0.787SS**  trans-56.4125.6-179.4-78.1-173.2174.9172.30113.3D224D224-K226 VanDerWaalsContact C-N 3.29Å; D224-K226 PolarHBondContact O-N 3.31Å; D224-K226 WeakPolarHBondContact OD2-CE 3.27Å; D224-K226 IonicContact OD2-NZ 3.48Å
227E26.2Very low28.7Very low158 Ų158145.2 Ų145.274%0.73879%0.794SS**  trans-56.7134.5169.1-65.8-173.8120.600112Y225 I229Y225-E227 PolarHBondContact O-N 3.5Å; E227-I229 HydrophobicContact CB-CD1 4.5Å; E227-I229 HydrophobicContact CB-CG1 4.23Å; E227-I229 WeakPolarHBondContact OE1-CD1 3.39Å; E227-I229 WeakPolarHBondContact OE2-CD1 3.32Å
228V30.9Very low28.7Very low141 Ų141141.5 Ų141.586%0.85579%0.787SS**  trans-114.274.4154-174.80000107.7G230V228-G230 PolarHBondContact O-N 3.29Å
229I27.9Very low28.8Very low143 Ų143138.4 Ų138.473%0.73378%0.778SS**  trans-63.7115.5165.3-65.6163.8000107.5E227E227-I229 HydrophobicContact CB-CD1 4.5Å; E227-I229 HydrophobicContact CB-CG1 4.23Å; E227-I229 WeakPolarHBondContact OE1-CD1 3.39Å; E227-I229 WeakPolarHBondContact OE2-CD1 3.32Å
230G24.9Very low29.1Very low73 Ų73137.2 Ų137.275%0.75377%0.767SS**  trans17946.5-17600000117.2V228V228-G230 PolarHBondContact O-N 3.29Å
231G25.3Very low29.6Very low62 Ų62136 Ų13664%0.63976%0.759SS**  trans-166.378.417900000113.8D233G231-D233 PolarHBondContact O-N 3.34Å
232V26.2Very low30.1Very low130 Ų130138.9 Ų138.979%0.78876%0.757SS**  trans-86.580.6176.4-172.40000109.3Y234V232-Y234 WeakPolarHBondContact O-CD2 3.47Å; V232-Y234 PolarHBondContact O-N 3.44Å
233D29.5Very low30.8Very low154 Ų154135.5 Ų135.582%0.82474%0.744SS**  trans-69.9118.2175.9-81.6-20.9000110.8G231 L235G231-D233 PolarHBondContact O-N 3.34Å; D233-L235 PolarHBondContact O-N 3.18Å
234Y26.4Very low31.3Very low205 Ų205134.6 Ų134.680%0.80474%0.74SS**  trans-65.6126.3-171-69.2-99.2000112.1V232 L236V232-Y234 WeakPolarHBondContact O-CD2 3.47Å; V232-Y234 PolarHBondContact O-N 3.44Å; Y234-L236 VanDerWaalsContact C-N 3.29Å; Y234-L236 PolarHBondContact O-N 3.44Å
235L28.6Very low31.7Very low169 Ų169136 Ų13689%0.88575%0.747SS**  trans-66.684.9170.6-71.1173.7000110.9D233 S237D233-L235 PolarHBondContact O-N 3.18Å; L235-S237 VanDerWaalsContact C-N 3.33Å; L235-S237 PolarHBondContact O-N 3.13Å
236L29.2Very low31.8Very low161 Ų161133.1 Ų133.184%0.84374%0.736SS**  trans-72.786.8170.9-83165.2000110.2Y234 G238Y234-L236 VanDerWaalsContact C-N 3.29Å; Y234-L236 PolarHBondContact O-N 3.44Å; L236-G238 PolarHBondContact O-N 3.4Å
237S28.1Very low32.1Very low129 Ų129134.1 Ų134.190%0.90274%0.743SS**  trans-64.774.7166.2-68.10000111L235L235-S237 VanDerWaalsContact C-N 3.33Å; L235-S237 PolarHBondContact O-N 3.13Å
238G29.2Very low32.8Very low55 Ų55134.5 Ų134.557%0.56774%0.744SS**  trans-109.5151.4173.800000111.6L236L236-G238 PolarHBondContact O-N 3.4Å
239S33.6Very low33.1Very low88 Ų88134.7 Ų134.762%0.61574%0.74SS**  trans-68.4147.1-178.751.60000112.7L241S239-L241 PolarHBondContact O-N 2.88Å
240E41.1Very low33.3Very low136 Ų136131.2 Ų131.264%0.63673%0.726SS**THydrogen-bonded Turntrans-65.424-167.6-140.7-158.3-142.600116.1K81K81-E240 IonicContact NZ-OE1 3.44Å; K81-E240 IonicContact NZ-OE2 2.8Å; K81-E240 PolarHBondContact NZ-OE2 3.33Å
241L40.8Very low33.8Very low127 Ų127131.6 Ų131.667%0.66571%0.711SS**THydrogen-bonded Turntrans-126.83.5-170.1-64.8177.6000114.6S239S239-L241 PolarHBondContact O-N 2.88Å
242L39.9Very low34.4Very low136 Ų136134.1 Ų134.171%0.71272%0.719SS**SBendtrans-128.95-174.9-81.2168.3000115.4
243L42.2Very low34.7Very low122 Ų122138.9 Ų138.964%0.63972%0.722SS**SBendtrans-95.5-18.6-174.1-98.765.2000115.4D245 Y246L243-D245 VanDerWaalsContact C-N 3.3Å; L243-D245 PolarHBondContact O-N 3.27Å; L243-Y246 PolarHBondContact O-N 3.47Å
244D38.4Very low34.8Very low130 Ų130136.6 Ų136.670%0.69571%0.707SS**THydrogen-bonded Turntrans-74.9-11.3-168.3-68.9-21.7000114.8
245D37.5Very low34.9Very low155 Ų155132 Ų13283%0.82970%0.704SS**THydrogen-bonded Turntrans-90.76.5177.6-80.3-28.5000113.6L243 H247L243-D245 VanDerWaalsContact C-N 3.3Å; L243-D245 PolarHBondContact O-N 3.27Å; D245-H247 PolarHBondContact O-N 3.42Å
246Y31.3Very low34.8Very low158 Ų158131.5 Ų131.562%0.6269%0.692SS**  trans-89.6103.6-179.4-81.4-101.2000112.3L243 H248L243-Y246 PolarHBondContact O-N 3.47Å; Y246-H248 PolarHBondContact O-N 2.88Å
247H37.4Very low34.9Very low185 Ų185129.1 Ų129.186%0.85668%0.684SS**PPolyproline II helixtrans-52.3129.4161.7-66.6-82.9000110D245 L249D245-H247 PolarHBondContact O-N 3.42Å; H247-L249 PolarHBondContact O-N 3.44Å
248H40Very low34.8Very low166 Ų166128.5 Ų128.577%0.76967%0.67SS**PPolyproline II helixtrans-58.3137.2170.1-70.5-56.1000109.9Y246Y246-H248 PolarHBondContact O-N 2.88Å
249L38.7Very low34.9Very low145 Ų145133.1 Ų133.176%0.75968%0.682SS**PPolyproline II helixtrans-57.6136.6166.3-69.9171.3000108.3H247H247-L249 PolarHBondContact O-N 3.44Å
250P31.8Very low34.9Very low70 Ų70133.4 Ų133.446%0.45568%0.68SS.*PPolyproline II helixtrans-72.6163.5-17634-38.3000110.9H254P250-H254 VanDerWaalsContact CB-CE1 3.41Å; P250-H254 WeakPolarHBondContact CB-CE1 3.37Å
251D34.9Very low34.3Very low81 Ų81135.2 Ų135.243%0.43369%0.693SS.*PPolyproline II helixtrans-59.3160.1-168.3-148.4-42.4000113.4R253 H254D251-R253 PolarHBondContact O-N 3.33Å; D251-H254 PolarHBondContact O-N 3.01Å; D251-H254 PolarHBondContact O-ND1 3.46Å
252S37Very low33.8Very low114 Ų114134 Ų13480%0.79769%0.692SS**THydrogen-bonded Turntrans-42.7-2.6-178.354.30000119
253R33.4Very low33.2Very low230 Ų230134.5 Ų134.587%0.86870%0.7SS**THydrogen-bonded Turntrans-86.80.2176.4-57.9-176.7-176.7-1791114.2D251D251-R253 PolarHBondContact O-N 3.33Å
254H31.1Very low32.5Very low106 Ų106134 Ų13449%0.49170%0.701SS.*  trans-89.2116.3-176.6-71.171.5000112.6P250 D251 Y256P250-H254 VanDerWaalsContact CB-CE1 3.41Å; P250-H254 WeakPolarHBondContact CB-CE1 3.37Å; D251-H254 PolarHBondContact O-N 3.01Å; D251-H254 PolarHBondContact O-ND1 3.46Å; H254-Y256 HydrophobicContact CB-CE2 4.48Å; H254-Y256 PolarHBondContact O-N 3.21Å
255S28.6Very low32.1Very low108 Ų108133 Ų13376%0.75570%0.701SS**  trans-86103.4177.643.20000112V257S255-V257 PolarHBondContact O-N 3.09Å; S255-V257 VanDerWaalsContact O-N 3.11Å
256Y27.2Very low31.7Very low159 Ų159134.3 Ų134.362%0.62470%0.702SS**  trans-75.396.9174.1-65-86.6000111.3H254 N258H254-Y256 HydrophobicContact CB-CE2 4.48Å; H254-Y256 PolarHBondContact O-N 3.21Å; Y256-N258 PolarHBondContact O-N 3.36Å
257V30.3Very low31.8Very low112 Ų112135.9 Ų135.968%0.67971%0.712SS**  trans-74.7107.3174.9-175.30000110.2S255 L259S255-V257 PolarHBondContact O-N 3.09Å; S255-V257 VanDerWaalsContact O-N 3.11Å; V257-L259 HydrophobicContact CG1-CD2 3.93Å; V257-L259 HydrophobicContact CG1-CG 4.1Å; V257-L259 PolarHBondContact O-N 2.92Å
258N27.1Very low31.6Very low115 Ų115134.6 Ų134.662%0.61571%0.706SS**  trans-82.388174.9-175.220.5000110.8Y256 T260Y256-N258 PolarHBondContact O-N 3.36Å; N258-T260 VanDerWaalsContact C-N 3.34Å; N258-T260 PolarHBondContact O-N 3.44Å
259L30.5Very low31.1Very low153 Ų153136.3 Ų136.380%0.80171%0.712SS**  trans-71.987.8171.9-65.6178.1000110.2V257V257-L259 HydrophobicContact CG1-CD2 3.93Å; V257-L259 HydrophobicContact CG1-CG 4.1Å; V257-L259 PolarHBondContact O-N 2.92Å
260T32.9Very low30.7Very low94 Ų94136.6 Ų136.658%0.57771%0.714SS**  trans-66.2146.5168.546.40000110.5N258 T262N258-T260 VanDerWaalsContact C-N 3.34Å; N258-T260 PolarHBondContact O-N 3.44Å; T260-T262 VanDerWaalsContact C-N 3.31Å; T260-T262 PolarHBondContact O-N 2.9Å
261N28.3Very low30.7Very low173 Ų173139.8 Ų139.893%0.92573%0.726SS**  trans-70.481.8-179.2-79.5-36.2000112.1
262T30.4Very low30.4Very low103 Ų103141.9 Ų141.963%0.63274%0.737SS**  trans-111.911415947.40000108.9T260 V264T260-T262 VanDerWaalsContact C-N 3.31Å; T260-T262 PolarHBondContact O-N 2.9Å; T262-V264 VanDerWaalsContact C-N 3.3Å; T262-V264 PolarHBondContact O-N 3.11Å
263V27.9Very low30.1Very low145 Ų145147.2 Ų147.288%0.87974%0.741SS**  trans-72.487.9173.3-179.40000108.1
264V28.4Very low30.2Very low111 Ų111141.2 Ų141.267%0.67373%0.734SS**  trans-91.8107.6171-177.30000107.2T262T262-V264 VanDerWaalsContact C-N 3.3Å; T262-V264 PolarHBondContact O-N 3.11Å
265T30.1Very low30.2Very low111 Ų111141.1 Ų141.168%0.68175%0.746SS**  trans-64.6148.5178.850.80000111.7K267T265-K267 PolarHBondContact O-N 2.91Å
266E28.5Very low30.3Very low181 Ų181142.7 Ų142.785%0.84675%0.745SS**SBendtrans-56.793.4-177.2-61172.4159.300113.2
267K33.5Very low30.3Very low192 Ų192140.7 Ų140.784%0.83575%0.751SS**  trans-154.6-4.3169.9-128.7173.2-175.6177.50118.2T265T265-K267 PolarHBondContact O-N 2.91Å
268E32.2Very low30.3Very low157 Ų157145.5 Ų145.573%0.73476%0.757SS**  trans-120.929.7-178-63.7-168.4141.400113.9N270E268-N270 PolarHBondContact O-N 3.13Å
269F29.8Very low30.5Very low202 Ų202148.3 Ų148.389%0.88677%0.77SS**  trans-74.657.7171.7-95.2-77.7000112.8
270N31.3Very low30.5Very low151 Ų151146.2 Ų146.281%0.80776%0.76SS**  trans-157.757.8171.1-153.51.7000114.4E268E268-N270 PolarHBondContact O-N 3.13Å
271I31.3Very low30.4Very low137 Ų137151.5 Ų151.570%0.70378%0.775SS**  trans-124127.9173.3-58.7-178000109.9
272N29.6Very low30.4Very low126 Ų126152.4 Ų152.467%0.67478%0.776SS**  trans-61.4141.2-173.4-82.4-60.1000114.1S274N272-S274 PolarHBondContact O-N 2.8Å
273Y30.3Very low30.4Very low226 Ų226156.3 Ų156.389%0.88678%0.784SS**THydrogen-bonded Turntrans-71.845.6169.1-78.8-93.9000113.1
274S34.5Very low30.6Very low103 Ų103159.1 Ų159.172%0.7279%0.788SS**THydrogen-bonded Turntrans-116-2.5-171.9-55.30000114.6N272N272-S274 PolarHBondContact O-N 2.8Å
275S31.2Very low30.8Very low105 Ų105159.6 Ų159.673%0.73479%0.791SS**  trans-114.53-169.4510000115.3
276L31.7Very low30.8Very low140 Ų140160.5 Ų160.573%0.73380%0.802SS**SBendtrans-73.3137.3168.1-74171.9000110.2R278L276-R278 PolarHBondContact O-N 2.69Å
277P27.3Very low30.9Very low117 Ų117154.9 Ų154.976%0.7679%0.793SS**  trans-66.8106.7-177.6-1830.9000111.5I279P277-I279 PolarHBondContact O-N 3.49Å
278R29Very low30.7Very low214 Ų214153.1 Ų153.181%0.80879%0.793SS**  trans-70.4115163.4-70.7-171.5-176171.51.9108.4L276 D280L276-R278 PolarHBondContact O-N 2.69Å; R278-D280 HydrophobicContact CB-CB 4.38Å; R278-D280 PolarHBondContact O-N 3.34Å
279I32.6Very low30.8Very low173 Ų173152.7 Ų152.789%0.88779%0.794SS**  trans-79.861172.3-49.9-178.7000108.5P277P277-I279 PolarHBondContact O-N 3.49Å
280D29.6Very low30.6Very low109 Ų109148.8 Ų148.858%0.58379%0.787SS**  trans-98102.4179.6-91.7-48.7000110.5R278 M282R278-D280 HydrophobicContact CB-CB 4.38Å; R278-D280 PolarHBondContact O-N 3.34Å; D280-M282 PolarHBondContact O-N 3.01Å
281K30.8Very low30.7Very low206 Ų206150.8 Ų150.890%0.89679%0.789SS**  trans34.369152.2-59.6176.8-177.8172.20117.1
282M28.1Very low30.6Very low192 Ų192153.5 Ų153.595%0.94680%0.795SS**  trans-93.8112.9171.3-147.7162.8-165.100111.6D280D280-M282 PolarHBondContact O-N 3.01Å
283K30.8Very low30.7Very low185 Ų185153.1 Ų153.180%0.80480%0.803SS**  trans-65.1133.3167.9-78.9-178.5173.4-179.30109.1T285K283-T285 PolarHBondContact O-N 3.17Å
284Q32.1Very low30.9Very low203 Ų203147.6 Ų147.695%0.94980%0.797SS**  trans-80.186.2175.3-160.3172.520.900110.1
285T33.1Very low30.7Very low121 Ų121149.1 Ų149.174%0.74280%0.797SS**  trans-87.2124.8168.547.70000109.7K283K283-T285 PolarHBondContact O-N 3.17Å
286S28.8Very low30.9Very low130 Ų130150.8 Ų150.891%0.90980%0.798SS**  trans-64.5147.2174.4-168.40000111.9
287G32.2Very low31Very low64 Ų64150.2 Ų150.266%0.6680%0.796SS**  trans165.3112.6176.200000113.2
288D28.1Very low31.4Very low154 Ų154151.3 Ų151.382%0.82479%0.794SS**  trans-68.7136.3175.7-50.8-86.2000112.6
289I34.6Very low31.7Very low148 Ų148147.3 Ų147.376%0.75979%0.788SS**  trans-141.1117.4143.1-77102.6000109.2F291I289-F291 HydrophobicContact CG2-CD2 3.97Å; I289-F291 HydrophobicContact CG2-CE2 3.91Å
290T26.9Very low31.9Very low121 Ų121144.5 Ų144.574%0.74278%0.775SS**  trans-73.3138170.9-51.20000111.4
291F31.6Very low32.3Very low192 Ų192146.7 Ų146.784%0.84278%0.782SS**  trans-116.9140.1158.5-99-88.8000112I289I289-F291 HydrophobicContact CG2-CD2 3.97Å; I289-F291 HydrophobicContact CG2-CE2 3.91Å
292K30.2Very low32.4Very low194 Ų194145.7 Ų145.784%0.84378%0.777SS**  trans-89.7150.3-166.4-60.1173.4179.6177.20111.9
293S30.8Very low32.8Very low119 Ų119143.7 Ų143.783%0.83277%0.77SS**  trans-120.1131.1150.6-169.60000108.3
294S35.4Very low33Very low110 Ų110142.7 Ų142.777%0.76977%0.766SS**  trans-72.3125.9179.3-55.10000109.8
295N30.2Very low32.7Very low135 Ų135141.9 Ų141.972%0.72276%0.756SS**  67.598.178.7-128.288.5000113.1
296D35.2Very low32.6Very low139 Ų139144.3 Ų144.374%0.74376%0.758SS**  156.3142.5125.9-78.7-15000112.2
297N32.8Very low32.7Very low129 Ų129146 Ų14669%0.6975%0.751SS**  cis-165.9175-28.1-157.8-13.3000108.9
298I36.6Very low32.6Very low140 Ų140149.1 Ų149.172%0.71876%0.757SS**  trans78.899.4161.8-54.6169.6000117.8
299N35.6Very low32.8Very low129 Ų129148.2 Ų148.269%0.6975%0.753SS**  40.3148.6116.8-64.551.3000121.3
300D35.9Very low32.5Very low115 Ų115148.9 Ų148.962%0.61576%0.758SS**  cis-160.7174.46.2-133.5-38.5000115.4
301Q39Very low32.6Very low155 Ų155148.4 Ų148.472%0.72476%0.757SS**  trans59.998.4149.3-74.7167.955.400122.2
302K32.9Very low32.4Very low184 Ų184145.5 Ų145.580%0.876%0.755SS**  20.3123.4122.1-59.3171.5179.7171.70118.6
303N36.3Very low32.3Very low150 Ų150144.2 Ų144.280%0.80276%0.756SS**  -175147.194.7-102-42.6000117.4
304K33.9Very low32.1Very low165 Ų165143.8 Ų143.872%0.71775%0.752SS**  trans4.1135.5155.7-73.7-161170.2-171.10123.4
305Y27.9Very low31.8Very low186 Ų186144.4 Ų144.473%0.72976%0.757SS**  trans48.6115.1138.3-66.5-117.5000117.7
306H31Very low31.6Very low171 Ų171142.7 Ų142.779%0.79276%0.756SS**  -167.415272.2-111.2-87.7000114.1
307H29.4Very low31.2Very low165 Ų165145.1 Ų145.176%0.76476%0.759SS**  trans5.8110.8144.2-161.6-50.5000119.2
308V31.1Very low31.1Very low130 Ų130145.5 Ų145.579%0.78876%0.761SS**  trans-168.2162145.9130.30000111.7
309N31Very low30.5Very low136 Ų136144.5 Ų144.573%0.72777%0.767SS**  trans-61.7166.6-173.6-49.2-43.3000115.9
310N29Very low30.2Very low161 Ų161145.3 Ų145.386%0.86177%0.771SS**  trans-23.4137.4163.1-90.7-16.1000115.3
311P29.8Very low29.9Very low112 Ų112149.1 Ų149.173%0.72778%0.782SS**  -145.3147.883.838.4-22.9000118.1
312T27.2Very low29.4Very low131 Ų131153.3 Ų153.380%0.80479%0.791SS**  trans14103.4141.3-44.70000119.2
313I28.4Very low29.2Very low167 Ų167153.3 Ų153.386%0.85679%0.794SS**  trans-130.3137.8147.4-64.5-176.1000108.6
314S24.9Very low28.8Very low109 Ų109153 Ų15376%0.76279%0.792SS**  trans-84.3126.3-172.456.10000113.6
315S30.1Very low28.8Very low124 Ų124150.4 Ų150.487%0.86779%0.794SS**  trans-98.2131.6154.758.10000109.5
316S25.6Very low28.9Very low99 Ų99146.2 Ų146.269%0.69279%0.793SS**  trans-113.8129.1-176.855.90000111.3
317K27.5Very low28.8Very low189 Ų189145.3 Ų145.382%0.82279%0.794SS**  trans177.7152.1130.7-93.6148-164.9173.90113.1
318N29.3Very low28.8Very low137 Ų137140.3 Ų140.373%0.73378%0.777SS**  trans63.951.4158.1-58.92.5000118.4L320N318-L320 HydrophobicContact CB-CD1 4.3Å; N318-L320 PolarHBondContact O-N 3.16Å
319S24.5Very low28.7Very low119 Ų119139.5 Ų139.583%0.83277%0.772SS**  trans-68.476.2149.447.80000110.7K321S319-K321 PolarHBondContact O-N 3.13Å
320L29.7Very low28.5Very low147 Ų147140.6 Ų140.677%0.7777%0.767SS**  trans-61.2107.5169.8-107.573.8000108.8N318 R322N318-L320 HydrophobicContact CB-CD1 4.3Å; N318-L320 PolarHBondContact O-N 3.16Å; L320-R322 PolarHBondContact O-N 3.37Å; L320-R322 VanDerWaalsContact O-N 3.16Å
321K28.8Very low28.4Very low195 Ų195141.5 Ų141.585%0.84876%0.76SS**  trans-54.5121.8171.7-69.9-177.4177.7179.90108.1S319 Q323S319-K321 PolarHBondContact O-N 3.13Å; K321-Q323 PolarHBondContact O-N 3.29Å
322R28Very low28.4Very low243 Ų243142.3 Ų142.392%0.91776%0.758SS**  trans-57.7101.8172.9-69.7-175.4175.9-156.6-1108.6L320L320-R322 PolarHBondContact O-N 3.37Å; L320-R322 VanDerWaalsContact O-N 3.16Å
323Q30.5Very low28.6Very low184 Ų184142.1 Ų142.186%0.8676%0.757SS**  trans-72.4133.1168.4-73.7-168-17.500108.4K321 S325K321-Q323 PolarHBondContact O-N 3.29Å; Q323-S325 PolarHBondContact O-N 2.89Å
324N27.5Very low28.7Very low144 Ų144144.6 Ų144.677%0.7776%0.755SS**  trans-62.3118.6-177.9-67.3-21.2000109.8S326N324-S326 PolarHBondContact O-N 3.45Å
325S32.7Very low29.1Very low109 Ų109146.7 Ų146.776%0.76276%0.758SS**  trans-73.725.7-17649.60000114.2Q323 N327Q323-S325 PolarHBondContact O-N 2.89Å; S325-N327 PolarHBondContact O-N 3.47Å
326S31.6Very low29.1Very low99 Ų99145.4 Ų145.469%0.69275%0.749SS**THydrogen-bonded Turntrans-76.70.2-169.1-47.60000115.4N324N324-S326 PolarHBondContact O-N 3.45Å
327N29Very low29.4Very low152 Ų152150.3 Ų150.381%0.81376%0.761SS**THydrogen-bonded Turntrans-120.92.6-165.7-85.2-3.1000115.3S325 V329S325-N327 PolarHBondContact O-N 3.47Å; N327-V329 PolarHBondContact O-N 2.75Å
328S28.6Very low29.7Very low59 Ų59147.4 Ų147.441%0.41375%0.754SS.*  trans-75.9119-179.941.50000112.2Y330S328-Y330 VanDerWaalsContact OG-CE2 3.31Å; S328-Y330 WeakPolarHBondContact OG-CE2 3.49Å; S328-Y330 PolarHBondContact OG-OH 3.18Å
329V28.9Very low29.8Very low113 Ų113145.1 Ų145.169%0.68576%0.763SS**  trans-100.2113.2172.3179.40000108.2N327 Y331N327-V329 PolarHBondContact O-N 2.75Å; V329-Y331 HydrophobicContact CG1-CD2 4.48Å; V329-Y331 HydrophobicContact CG1-CE2 3.87Å
330Y26.6Very low30Very low159 Ų159143.7 Ų143.762%0.62475%0.753SS**  trans-93.4139.8179.5-61.8-87.9000111.2S328S328-Y330 VanDerWaalsContact OG-CE2 3.31Å; S328-Y330 WeakPolarHBondContact OG-CE2 3.49Å; S328-Y330 PolarHBondContact OG-OH 3.18Å
331Y28.1Very low30Very low181 Ų181145.9 Ų145.971%0.7176%0.756SS**  trans-120.4135.7170.2-67.9-85.4000109.1V329 V333V329-Y331 HydrophobicContact CG1-CD2 4.48Å; V329-Y331 HydrophobicContact CG1-CE2 3.87Å; Y331-V333 PolarHBondContact O-N 3.21Å
332N29.1Very low29.9Very low129 Ų129142 Ų14269%0.6975%0.749SS**  trans-81.5113.1170.1-65.926.8000108.5
333V31.3Very low29.9Very low127 Ų127135.8 Ų135.877%0.7774%0.738SS**  trans-81.5138.6159-177.50000107.3Y331Y331-V333 PolarHBondContact O-N 3.21Å
334W31.2Very low29.9Very low219 Ų219132.3 Ų132.383%0.8373%0.729SS**  trans-120117.5172-61.785.3000107.1
335D31.8Very low30Very low153 Ų153130.8 Ų130.882%0.81873%0.725SS**  trans-71.3132.7164.9-67.1-40.1000108.2
336S31.3Very low29.8Very low97 Ų97132.8 Ų132.868%0.67873%0.727SS**  trans-78.6130.1179.1-156.90000109.7D338S336-D338 PolarHBondContact O-N 3.21Å
337E31.5Very low29.7Very low201 Ų201135.2 Ų135.294%0.93973%0.733SS**SBendtrans-74.447.3173.7-68.1-169.5120.300112.6
338D33.8Very low29.7Very low129 Ų129134.5 Ų134.569%0.6973%0.734SS**  trans-12095171.7-87.4-59.1000108.9S336 S340S336-D338 PolarHBondContact O-N 3.21Å; D338-S340 PolarHBondContact O-N 3.12Å
339G31Very low29.8Very low88 Ų88138.4 Ų138.491%0.90776%0.756SS**  trans-68.627.7179.500000115.3K341G339-K341 PolarHBondContact O-N 3.11Å
340S28.6Very low29.7Very low89 Ų89137.4 Ų137.462%0.62276%0.759SS**  trans-72.4105.5-177.9-174.30000111D338 V342D338-S340 PolarHBondContact O-N 3.12Å; S340-V342 VanDerWaalsContact C-N 3.27Å; S340-V342 PolarHBondContact O-N 3.23Å
341K29.2Very low29.9Very low193 Ų193136.7 Ų136.784%0.83977%0.771SS**  trans-68.385.5165.5-79.4-172.3175-178.30110.1G339 T343G339-K341 PolarHBondContact O-N 3.11Å; K341-T343 VanDerWaalsContact C-N 3.27Å; K341-T343 PolarHBondContact O-N 3Å
342V27.7Very low29.9Very low114 Ų114134 Ų13469%0.69177%0.773SS**  trans-7089.5164.7-176.80000108.2S340 T344S340-V342 VanDerWaalsContact C-N 3.27Å; S340-V342 PolarHBondContact O-N 3.23Å; V342-T344 HydrophobicContact CG1-CG2 4.29Å; V342-T344 PolarHBondContact O-N 2.81Å
343T28Very low30Very low113 Ų113134 Ų13469%0.69378%0.778SS**  trans-72.296.4174.2-50.80000108.6K341 T345K341-T343 VanDerWaalsContact C-N 3.27Å; K341-T343 PolarHBondContact O-N 3Å; T343-T345 PolarHBondContact O-N 3.22Å
344T30.1Very low29.9Very low110 Ų110134.8 Ų134.868%0.67578%0.778SS**  trans-71.592.6177.151.50000110.7V342 N346V342-T344 HydrophobicContact CG1-CG2 4.29Å; V342-T344 PolarHBondContact O-N 2.81Å; T344-N346 PolarHBondContact O-N 2.8Å
345T29.9Very low29.8Very low113 Ų113129.7 Ų129.769%0.69378%0.776SS**  trans-71.6105.9166.746.80000109.4T343 D347T343-T345 PolarHBondContact O-N 3.22Å; T345-D347 VanDerWaalsContact C-N 3.32Å; T345-D347 PolarHBondContact O-N 3.42Å
346N27.9Very low29.7Very low150 Ų150130.9 Ų130.980%0.80278%0.781SS**  trans-75.877.8177.9-71.2-14.9000111.3T344T344-N346 PolarHBondContact O-N 2.8Å
347D30.2Very low29.7Very low150 Ų150132.9 Ų132.980%0.80278%0.782SS**  trans-104.2119.3167.5-90.9-54.9000111.1T345T345-D347 VanDerWaalsContact C-N 3.32Å; T345-D347 PolarHBondContact O-N 3.42Å
348T28.2Very low29.4Very low137 Ų137130 Ų13084%0.8477%0.773SS**  trans-88.3114.7-171.3-57.10000111
349T32.4Very low29.2Very low142 Ų142129.2 Ų129.287%0.87178%0.778SS**  trans-147.2124.9153.610.30000110.5
350A26.4Very low29Very low92 Ų92131 Ų13176%0.7676%0.763SS**  trans-92.2129.3-17600000111.9
351V30.7Very low28.9Very low144 Ų144133.6 Ų133.687%0.87377%0.768SS**  trans-130.4112.4157.3-179.10000107.9
352T27.7Very low28.7Very low123 Ų123132.9 Ų132.976%0.75576%0.761SS**  trans-80.5133.9-179.846.80000112.2
353T31.3Very low28.6Very low129 Ų129133.3 Ų133.379%0.79176%0.759SS**  -163142.2124.520.90000111.4
354D29Very low28.6Very low145 Ų145137.3 Ų137.378%0.77577%0.767SS**SBendtrans65.176.4154.5-58.3-1.4000120.6
355S29.4Very low28.5Very low111 Ų111142.6 Ų142.678%0.77677%0.774SS**  trans67.871.1141.862.40000119.3
356I30.3Very low28.5Very low179 Ų179142.9 Ų142.992%0.91877%0.772SS**  trans-87.5115.2140.2-61.2172.7000106.9
357I29.6Very low28.9Very low139 Ų139142.7 Ų142.771%0.71377%0.771SS**  trans-137.2139.9165-60.4-177.9000108.5S359I357-S359 PolarHBondContact O-N 3.42Å
358D25.3Very low29.2Very low139 Ų139143.7 Ų143.774%0.74377%0.77SS**  trans-40.5115.5-174.2-51.8-72.1000114.9E360D358-E360 HydrophobicContact CB-CG 4.44Å; D358-E360 PolarHBondContact O-N 3.05Å
359S29.8Very low29.4Very low113 Ų113142.7 Ų142.779%0.7976%0.759SS**  trans-81.262.7160.8-69.70000110.3I357 I361I357-S359 PolarHBondContact O-N 3.42Å; S359-I361 PolarHBondContact O-N 2.67Å
360E26.4Very low29.4Very low126 Ų126140.9 Ų140.959%0.58975%0.748SS**  trans-55.7104.2158.1-75.9-156100.800107.7D358 Y362D358-E360 HydrophobicContact CB-CG 4.44Å; D358-E360 PolarHBondContact O-N 3.05Å; E360-Y362 HydrophobicContact CB-CD2 3.8Å; E360-Y362 HydrophobicContact CB-CE2 3.55Å; E360-Y362 HydrophobicContact CG-CE2 4.22Å; E360-Y362 WeakPolarHBondContact O-CD2 3.48Å; E360-Y362 PolarHBondContact O-N 2.74Å; E360-Y362 WeakPolarHBondContact OE2-CE2 3.47Å; E360-Y362 VanDerWaalsContact OE2-CZ 3.22Å; E360-Y362 PolarHBondContact OE2-OH 3.36Å
361I26.7Very low29.5Very low143 Ų143145.2 Ų145.273%0.73375%0.752SS**  trans-76.678.7177.1-53.7-177000108.1S359 L363S359-I361 PolarHBondContact O-N 2.67Å; I361-L363 HydrophobicContact CG2-CG 4.28Å; I361-L363 PolarHBondContact O-N 2.82Å
362Y24.9Very low29.4Very low178 Ų178146.3 Ų146.370%0.69875%0.753SS**  trans-59.286.8166-78.3-83.9000109.6E360 K364E360-Y362 HydrophobicContact CB-CD2 3.8Å; E360-Y362 HydrophobicContact CB-CE2 3.55Å; E360-Y362 HydrophobicContact CG-CE2 4.22Å; E360-Y362 WeakPolarHBondContact O-CD2 3.48Å; E360-Y362 PolarHBondContact O-N 2.74Å; E360-Y362 WeakPolarHBondContact OE2-CE2 3.47Å; E360-Y362 VanDerWaalsContact OE2-CZ 3.22Å; E360-Y362 PolarHBondContact OE2-OH 3.36Å; Y362-K364 PolarHBondContact O-N 2.92Å
363L27.6Very low29.3Very low123 Ų123144 Ų14464%0.64474%0.739SS**  trans-66.482.5165.6-83.6167.1000108.6I361 R365I361-L363 HydrophobicContact CG2-CG 4.28Å; I361-L363 PolarHBondContact O-N 2.82Å; L363-R365 PolarHBondContact O-N 3.17Å
364K27.6Very low29.3Very low198 Ų198145.6 Ų145.686%0.86173%0.731SS**  trans-48105.5169.5-106.8-179.2173.3175.50108.5Y362 N366Y362-K364 PolarHBondContact O-N 2.92Å; K364-N366 PolarHBondContact O-N 3.22Å
365R28.2Very low29.2Very low220 Ų220145 Ų14583%0.8373%0.726SS**  trans-59.5108.5178.7177178.8-85.1145-7107.9L363 N367L363-R365 PolarHBondContact O-N 3.17Å; R365-N367 PolarHBondContact O-N 2.86Å; R365-N367 PolarHBondContact O-OD1 2.97Å
366N29.7Very low29.2Very low120 Ų120148.4 Ų148.464%0.64272%0.723SS**  trans-79.4115.8179-158.514.2000108.2K364 Q368K364-N366 PolarHBondContact O-N 3.22Å; N366-Q368 PolarHBondContact O-N 3.46Å
367N36.6Very low29.1Very low145 Ų145150.3 Ų150.378%0.77572%0.719SS**THydrogen-bonded Turntrans-75.833.8-164.1-73-17.2000114.9R365R365-N367 PolarHBondContact O-N 2.86Å; R365-N367 PolarHBondContact O-OD1 2.97Å
368Q35.2Very low28.9Very low171 Ų171151.5 Ų151.580%0.79972%0.719SS**THydrogen-bonded Turntrans-138.418-178.3-68.1-171.5-18.300113.7N366 T370N366-Q368 PolarHBondContact O-N 3.46Å; Q368-T370 PolarHBondContact O-N 3Å
369I33.7Very low29.2Very low116 Ų116149.7 Ų149.760%0.59572%0.717SS**  trans-76.2108.8173.6-58.5176.8000108.9T373I369-T373 HydrophobicContact CG2-CG2 4.42Å
370T32.5Very low29Very low104 Ų104151.1 Ų151.164%0.63871%0.711SS**  trans-71.4153.8174.344.40000111.8Q368 T373Q368-T370 PolarHBondContact O-N 3Å; T370-T373 WeakPolarHBondContact O-CB 3.22Å; T370-T373 PolarHBondContact O-N 2.9Å; T370-T373 PolarHBondContact O-OG1 2.93Å; T370-T373 PolarHBondContact OG1-OG1 3Å
371Q27.3Very low29.2Very low183 Ų183151 Ų15186%0.85572%0.722SS**THydrogen-bonded Turntrans-53148.5175.8-67.6173.5-16.200111.3T373Q371-T373 VanDerWaalsContact C-N 3.3Å; Q371-T373 PolarHBondContact O-N 3.15Å
372N28.2Very low29.3Very low168 Ų168150 Ų15090%0.89872%0.723SS**THydrogen-bonded Turntrans67.59.7-177.7-54.2-26.4000117R374N372-R374 PolarHBondContact O-N 3.28Å
373T27Very low29.4Very low75 Ų75147.7 Ų147.746%0.4673%0.73SS.*  trans-73.295.3175.3-55.20000112.3I369 T370 Q371 I375I369-T373 HydrophobicContact CG2-CG2 4.42Å; T370-T373 WeakPolarHBondContact O-CB 3.22Å; T370-T373 PolarHBondContact O-N 2.9Å; T370-T373 PolarHBondContact O-OG1 2.93Å; T370-T373 PolarHBondContact OG1-OG1 3Å; Q371-T373 VanDerWaalsContact C-N 3.3Å; Q371-T373 PolarHBondContact O-N 3.15Å; T373-I375 PolarHBondContact O-N 3.44Å
374R30Very low29.5Very low162 Ų162145.2 Ų145.261%0.61173%0.734SS**  trans-74.5119.5172.7-177.1178.8-82.4-159.6-4.4110.8N372 Y376N372-R374 PolarHBondContact O-N 3.28Å; R374-Y376 HydrophobicContact CB-CE2 4.16Å; R374-Y376 WeakPolarHBondContact CD-OH 3.49Å; R374-Y376 HydrophobicContact CG-CD2 4.33Å; R374-Y376 HydrophobicContact CG-CE2 3.77Å; R374-Y376 WeakPolarHBondContact O-CD2 3.25Å
375I27.8Very low29.7Very low132 Ų132141.2 Ų141.268%0.67773%0.731SS**  trans-88.2124.3179.5-57.2176.3000110.1T373T373-I375 PolarHBondContact O-N 3.44Å
376Y29.5Very low29.6Very low183 Ų183135.8 Ų135.872%0.71873%0.727SS**  trans-105.4123.8172.8-66.4-100.1000110R374R374-Y376 HydrophobicContact CB-CE2 4.16Å; R374-Y376 WeakPolarHBondContact CD-OH 3.49Å; R374-Y376 HydrophobicContact CG-CD2 4.33Å; R374-Y376 HydrophobicContact CG-CE2 3.77Å; R374-Y376 WeakPolarHBondContact O-CD2 3.25Å
377R28.1Very low29.7Very low219 Ų219135.7 Ų135.783%0.82674%0.736SS**  trans-90.6121.5167.1-79.2-174.9173.2176.9-1.4109.3S379R377-S379 PolarHBondContact O-N 3.43Å
378K25.6Very low29.5Very low164 Ų164134.9 Ų134.971%0.71374%0.736SS**  trans-79.7111.4169.4-177.4-169.1176.9-159.40108.9H380K378-H380 WeakPolarHBondContact CE-NE2 3.26Å; K378-H380 PolarHBondContact NZ-CE1 3.42Å; K378-H380 PolarHBondContact NZ-NE2 3.43Å
379S30.2Very low29.3Very low101 Ų101134.9 Ų134.971%0.70674%0.741SS**  trans-64137.316644.50000110.1R377R377-S379 PolarHBondContact O-N 3.43Å
380H27Very low29.2Very low142 Ų142134.6 Ų134.666%0.65775%0.749SS**  trans-113.5103.6167.8-95.6-107.2000106.7K378 V382K378-H380 WeakPolarHBondContact CE-NE2 3.26Å; K378-H380 PolarHBondContact NZ-CE1 3.42Å; K378-H380 PolarHBondContact NZ-NE2 3.43Å; H380-V382 PolarHBondContact O-N 3.45Å
381C29.1Very low29.3Very low123 Ų123135.3 Ų135.383%0.83176%0.755SS**  trans-67.7116.2169-58.90000108.2
382V29.8Very low29.6Very low124 Ų124132.2 Ų132.275%0.75275%0.754SS**  trans-78.1138.8169.5179.90000107.7H380 G384H380-V382 PolarHBondContact O-N 3.45Å; V382-G384 PolarHBondContact O-N 3.44Å
383P27.7Very low29.8Very low128 Ų128130.1 Ų130.183%0.83175%0.749SS**  trans-64.499.9173.2-20.333.3000110.5S385P383-S385 PolarHBondContact O-N 2.96Å
384G29.8Very low30.2Very low72 Ų72134.2 Ų134.274%0.74277%0.768SS**  trans-73119.1179.100000111.5V382V382-G384 PolarHBondContact O-N 3.44Å
385S30.2Very low30.5Very low113 Ų113134 Ų13479%0.7978%0.778SS**  trans-34.6132.1173.348.40000115.3P383 S387P383-S385 PolarHBondContact O-N 2.96Å; S385-S387 PolarHBondContact O-N 2.96Å
386S27.7Very low30.6Very low107 Ų107136.9 Ų136.975%0.74879%0.788SS**  trans-56.4120.4170.551.30000112.4T388S386-T388 PolarHBondContact O-N 3.05Å; S386-T388 VanDerWaalsContact O-N 3.11Å
387S31.8Very low30.7Very low118 Ų118134.1 Ų134.183%0.82580%0.795SS**  trans-75.191.1171.138.30000110.9S385 L389S385-S387 PolarHBondContact O-N 2.96Å; S387-L389 PolarHBondContact O-N 3.39Å; S387-L389 VanDerWaalsContact O-N 3.16Å
388T30.3Very low30.7Very low128 Ų128128.6 Ų128.679%0.78579%0.79SS**  trans-66.3110.3170.149.20000110.1S386 S390S386-T388 PolarHBondContact O-N 3.05Å; S386-T388 VanDerWaalsContact O-N 3.11Å; T388-S390 PolarHBondContact O-N 3.36Å
389L32.6Very low31.1Very low171 Ų171131.2 Ų131.290%0.89580%0.802SS**PPolyproline II helixtrans-60.3122.5170.9-73.5165.4000109.9S387 P391S387-L389 PolarHBondContact O-N 3.39Å; S387-L389 VanDerWaalsContact O-N 3.16Å; L389-P391 WeakPolarHBondContact O-CD 3.47Å
390S30Very low31.3Very low109 Ų109132.2 Ų132.276%0.76280%0.8SS**PPolyproline II helixtrans-79.7121.8178.154.60000111.3T388T388-S390 PolarHBondContact O-N 3.36Å
391P35.4Very low31.8Very low120 Ų120132.7 Ų132.778%0.77980%0.802SS**PPolyproline II helixtrans-73141.5168.130.8-33.2000110.7L389L389-P391 WeakPolarHBondContact O-CD 3.47Å
392S33.1Very low32Very low118 Ų118136.2 Ų136.283%0.82580%0.803SS**PPolyproline II helixtrans-67144.1-179.6-58.50000112.6
393P32.3Very low32.3Very low123 Ų123136.4 Ų136.480%0.79981%0.81SS**PPolyproline II helixtrans-89.4130.3-171.933.5-34.2000113.5
394L36.6Very low32.5Very low161 Ų161133.1 Ų133.184%0.84380%0.8SS**  trans-145.5133.9160.8-90179.7000112.7
395L35.1Very low32.8Very low159 Ų159140.6 Ų140.683%0.83281%0.806SS**  trans70.4113.7157-59.9172.6000120.2
396H30.4Very low33Very low192 Ų192143 Ų14389%0.88980%0.804SS**  trans-49.9150168.7-67.4-121000115.7
397S31.4Very low33Very low124 Ų124143.7 Ų143.787%0.86781%0.808SS**  -151.4160.6109.560.30000110.8
398S29.3Very low32.9Very low103 Ų103146.1 Ų146.172%0.7281%0.81SS**  trans-98.8143.5-170.454.40000113.4
399F33.9Very low32.8Very low220 Ų220147.5 Ų147.597%0.96581%0.812SS**  trans-143.9167.2142.7-107.7-77.1000110.8
400D34.6Very low32.7Very low122 Ų122147.4 Ų147.465%0.65281%0.809SS**  trans-131.5172.8-146-177.627.4000113.2
401Q36.5Very low32.9Very low151 Ų151151.4 Ų151.471%0.70681%0.813SS**  trans86.189.1158.7-46.8-164.85.700120.6
402K33.4Very low32.6Very low198 Ų198152.4 Ų152.486%0.86182%0.817SS**  44.898.8115.6-62.5172-178.8169.50119.2
403S37Very low32.6Very low127 Ų127155.9 Ų155.989%0.88882%0.82SS**  trans-165.5144.1131.7-164.50000110.9
404G31.9Very low32.7Very low60 Ų60156.6 Ų156.662%0.61982%0.822SS**  cis148.946.2-8.800000118.3
405R36.1Very low32.5Very low229 Ų229152.2 Ų152.286%0.86482%0.816SS**  trans-168.9136.1158.1-108.1149.8-162.8-132.23.4116.2
406Q34.3Very low32.4Very low162 Ų162151.1 Ų151.176%0.75782%0.816SS**  trans38.2111.5139.6-69167.4-16.300119.2
407C26.2Very low32.5Very low122 Ų122152 Ų15282%0.82482%0.818SS**  85.6113.865-74.30000114.4
408L30.4Very low32.8Very low169 Ų169152.4 Ų152.489%0.88581%0.808SS**  -160.5121.8120.8-107.7169.9000110.2
409L27.4Very low32.8Very low157 Ų157152.7 Ų152.782%0.82281%0.81SS**  trans-110.9125.7174175.172.9000107.5
410M31.5Very low33.1Very low169 Ų169152.8 Ų152.883%0.83381%0.805SS**  trans-110.4138.2167.6-75.6-63.9-75.300110
411K34.7Very low33.5Very low193 Ų193155.8 Ų155.884%0.83981%0.812SS**  trans-76.6159.9-173.4-75.7-179.2173.6179.40112.6
412T27.9Very low33.7Very low141 Ų141154.5 Ų154.587%0.86582%0.817SS**  trans-56139.8156.533.40000111.9
413E33.3Very low34.1Very low192 Ų192149.4 Ų149.490%0.89781%0.811SS**  trans-143.5158.9157.2-157.3161.4-12000109.8
414T35.5Very low34.5Very low137 Ų137148.9 Ų148.984%0.8481%0.805SS**  trans-101.6124.2-153.949.70000115.3
415G31.8Very low35.3Very low69 Ų69151.4 Ų151.471%0.71181%0.81SS**  trans82.8101.713200000119.4
416T33.3Very low36Very low136 Ų136146.6 Ų146.683%0.83481%0.809SS**  -155.7131.1127.5-10000111.3I418T416-I418 PolarHBondContact O-N 3.41Å
417K31.5Very low36.3Very low212 Ų212150.5 Ų150.592%0.92282%0.816SS**  trans-84.7104.9177.7-74.4179.1177.5173.60110.5
418I38Very low36.9Very low131 Ų131153.2 Ų153.267%0.67282%0.819SS**  trans-107.885.3168.6-50-175.4000109.9T416 R420T416-I418 PolarHBondContact O-N 3.41Å; I418-R420 HydrophobicContact CG2-CG 4.14Å; I418-R420 PolarHBondContact O-N 3.39Å
419S30.3Very low37.5Very low109 Ų109150 Ų15076%0.76281%0.811SS**  trans-74.190176.4179.40000111.4K421S419-K421 PolarHBondContact O-N 3.19Å
420R38.5Very low38.2Very low223 Ų223148.4 Ų148.484%0.84281%0.81SS**  trans-88.998.8168.2-66.3-170.9-178.9-175.81.2109.9I418I418-R420 HydrophobicContact CG2-CG 4.14Å; I418-R420 PolarHBondContact O-N 3.39Å
421K43.3Very low38.5Very low185 Ų185148.2 Ų148.280%0.80481%0.812SS**PPolyproline II helixtrans-63.4144.7163.5-74.4-177.5177.51770109.4S419S419-K421 PolarHBondContact O-N 3.19Å
422P42Very low38.6Very low124 Ų124148.7 Ų148.781%0.80581%0.813SS**PPolyproline II helixtrans-57.9138.9166.8-22.233.4000110.8
423A42.2Very low39Very low91 Ų91147.6 Ų147.675%0.75281%0.812SS**PPolyproline II helixtrans-69.4143.717200000110.4
424P45.4Very low39Very low115 Ų115143.2 Ų143.275%0.74780%0.802SS**PPolyproline II helixtrans-67.2148.2171.829.9-34.4000110.5
425P47Very low38.9Very low113 Ų113142.3 Ų142.373%0.73480%0.802SS**PPolyproline II helixtrans-63.1148.917527.4-34.6000111.1R427P425-R427 PolarHBondContact O-N 2.83Å
426P51.1Low39.1Very low129 Ų129147.9 Ų147.984%0.83881%0.807SS**PPolyproline II helixtrans-62.7130.6-177.325.6-34.2000111.3M428P426-M428 PolarHBondContact O-N 3.22Å
427R40.4Very low39Very low243 Ų243147.5 Ų147.592%0.91780%0.804SS**PPolyproline II helixtrans-76.8117.1171.8-75178.9169.9167.2-4.5109.2P425 S429P425-R427 PolarHBondContact O-N 2.83Å; R427-S429 PolarHBondContact O-N 2.8Å
428M38.5Very low39.3Very low180 Ų180144.7 Ų144.789%0.88780%0.798SS**PPolyproline II helixtrans-67.7127.4164.2-67.6178.669.100109.3P426P426-M428 PolarHBondContact O-N 3.22Å
429S43.9Very low39Very low101 Ų101144 Ų14471%0.70680%0.802SS**PPolyproline II helixtrans-63.6142.6169.7-55.20000110.2R427 L431R427-S429 PolarHBondContact O-N 2.8Å; S429-L431 PolarHBondContact O-N 3.44Å; S429-L431 VanDerWaalsContact O-N 3.13Å
430P41.8Very low39.2Very low123 Ų123144.4 Ų144.480%0.79980%0.802SS**  trans-65.3115.5170.227.6-32.7000109.2K432P430-K432 PolarHBondContact O-N 2.8Å
431L38.8Very low39Very low166 Ų166139.1 Ų139.187%0.86980%0.795SS**  trans-62.3120171.2-77.3166.9000108.8S429 S433S429-L431 PolarHBondContact O-N 3.44Å; S429-L431 VanDerWaalsContact O-N 3.13Å; L431-S433 PolarHBondContact O-N 3Å; L431-S433 VanDerWaalsContact O-N 3.12Å
432K37.1Very low38.7Very low202 Ų202138.8 Ų138.888%0.87879%0.794SS**  trans-64.3110.7166.3-71.1-177.4177.5-178.80107.5P430 S434P430-K432 PolarHBondContact O-N 2.8Å; K432-S434 PolarHBondContact O-N 3.24Å
433S35.3Very low38.1Very low118 Ų118138.5 Ų138.583%0.82579%0.79SS**  trans-69.395.7171.553.40000109.4L431 S435L431-S433 PolarHBondContact O-N 3Å; L431-S433 VanDerWaalsContact O-N 3.12Å; S433-S435 PolarHBondContact O-N 3.18Å
434S34.2Very low37.8Very low100 Ų100142.2 Ų142.270%0.69980%0.797SS**  trans-64.3125.5166.639.50000109.2K432 F436K432-S434 PolarHBondContact O-N 3.24Å; S434-F436 PolarHBondContact O-N 3.45Å
435S33.3Very low37.2Very low119 Ų119141.6 Ų141.683%0.83280%0.796SS**  trans-65.7122.7173.528.80000110.1S433S433-S435 PolarHBondContact O-N 3.18Å
436F35.2Very low36.8Very low186 Ų186143.2 Ų143.282%0.81680%0.804SS**  trans-119.1114.6167.8-114-85.8000109.1S434S434-F436 PolarHBondContact O-N 3.45Å
437T31.6Very low36Very low127 Ų127144.7 Ų144.778%0.77981%0.805SS**  trans-94133.9176.8-52.70000109.1
438L36.5Very low35.8Very low153 Ų153140.5 Ų140.580%0.80181%0.806SS**  trans-129.2145.4167.8-71.8175.4000110.1
439P32.8Very low35.5Very low116 Ų116139.2 Ų139.275%0.75380%0.802SS**  trans-87.7157.7-165.234.7-37.1000114.3
440P33.3Very low34.9Very low118 Ų118139.6 Ų139.677%0.76681%0.805SS**  trans-105.8139.1178.537.3-30.4000114.2
441T35.7Very low34.4Very low112 Ų112137.2 Ų137.269%0.68780%0.802SS**  trans-163.2143.6159.71.50000114
442F35.6Very low34.2Very low178 Ų178137.6 Ų137.678%0.78180%0.804SS**  trans54.8126.8167.9-48.4-64000118.5
443T31.3Very low34Very low119 Ų119135.2 Ų135.273%0.7380%0.801SS**  cis77.793.923.582.30000117.6
444N34.9Very low34Very low168 Ų168136.8 Ų136.890%0.89880%0.799SS**  -165.7171.2119.7-117.1-27.3000112.5
445S33Very low34Very low103 Ų103140.7 Ų140.772%0.7281%0.807SS**  trans-138.2159.3-170.658.80000113.8
446T38Very low34.1Very low146 Ų146139.7 Ų139.790%0.89680%0.8SS**  trans-164.6145.7154.913.20000111.1
447N34.9Very low34.2Very low161 Ų161136.9 Ų136.986%0.86180%0.8SS**  trans-105.1146.6176.1-75.3-45.3000111.2
448V35.9Very low34.1Very low155 Ų155138.1 Ų138.194%0.93980%0.801SS**  trans-136.6151.3156-1740000108.6
449L33.2Very low34.3Very low152 Ų152137 Ų13780%0.79680%0.803SS**  trans-112.1150.8-158.4-163.675.6000113.5
450S31.5Very low34.6Very low110 Ų110137.5 Ų137.577%0.76980%0.804SS**  trans54.1120.6151.156.20000120.5
451G30.7Very low34.3Very low73 Ų73141.6 Ų141.675%0.75380%0.804SS**  trans-179.8153159.600000113.6
452L34Very low34.3Very low173 Ų173141.1 Ų141.191%0.90681%0.811SS**  trans65.885.9164.8-52.3-176000118.3
453N32.1Very low34.3Very low153 Ų153140.9 Ų140.982%0.81881%0.81SS**  trans-51.4134.7143.6178.224.4000111.3
454L37.1Very low34.4Very low150 Ų150138.5 Ų138.579%0.78581%0.809SS**  trans-155.6121162.3-147.979.3000113.3
455E32.9Very low34.6Very low182 Ų182138.2 Ų138.285%0.8581%0.806SS**  trans-73.7133.2166.9-168.993.4-175.900109.9
456S36.9Very low34.9Very low98 Ų98140.1 Ų140.169%0.68581%0.808SS**  trans-166.4155.3159.212.20000113.7
457P36.3Very low34.9Very low127 Ų127141 Ų14183%0.82580%0.804SS**  trans-108.8-174.5-156.642.2-36.7000116.1
458L28.9Very low35.1Very low153 Ų153138.4 Ų138.480%0.80180%0.799SS**  trans-54.5142.7179.9-63.6166.8000114.6
459P41.5Very low35.5Very low131 Ų131136.8 Ų136.885%0.85179%0.789SS**  trans-76.4130.8171.231.3-33.6000111.9
460V39.3Very low35.8Very low125 Ų125135.8 Ų135.876%0.75878%0.784SS**  trans-129.6123.4-1791740000111.6
461R27.4Very low36Very low205 Ų205135.1 Ų135.177%0.77478%0.78SS**  trans59132167.1-92.1-177.4172.7141.12.3119.9
462A34.4Very low36.4Very low101 Ų101136 Ų13684%0.83578%0.775SS**  trans-106.3165.2130.200000109.2
463K37.1Very low36.6Very low174 Ų174134.5 Ų134.576%0.75777%0.767SS**  trans-156.2136.6-173.3-151.6-169-177.3-161.60111.2
464G33.4Very low36.7Very low69 Ų69133.9 Ų133.971%0.71176%0.764SS**  trans77.5162.5-179.700000113.8
465L39Very low36.6Very low161 Ų161132.7 Ų132.784%0.84377%0.767SS**  cis-139.7140.5-9.2-78.8108.5000106.6
466D38.1Very low36.7Very low143 Ų143129.1 Ų129.177%0.76576%0.763SS**  80.8153.965.8-149.3-5.4000113.6
467M39.4Very low36.7Very low165 Ų165129.3 Ų129.381%0.81376%0.764SS**  trans73.9119.1-166.4-49.7-170.4-58.600113.4
468S38.2Very low36.5Very low106 Ų106129.3 Ų129.374%0.74176%0.762SS**  70.2140.159.5900000112.4
469V44.2Very low36.7Very low121 Ų121126.8 Ų126.873%0.73376%0.757SS**  cis-137.7-175.85.3-66.70000109
470D38.6Very low36.3Very low131 Ų131124.9 Ų124.970%0.70175%0.747SS**  cis-159-178.83.4-141.1-49.8000111.8
471S37Very low36.1Very low97 Ų97125.7 Ų125.768%0.67875%0.747SS**  trans3.4158.7142.2-67.70000122.2
472S38Very low36.5Very low92 Ų92121.2 Ų121.264%0.64374%0.742SS**  cis-177.8174.7-18.365.20000111.2
473L38.7Very low36.7Very low141 Ų141122.9 Ų122.974%0.73874%0.737SS**  trans65.8121.4153.3-70.2165.8000121.9
474N35.2Very low36.6Very low140 Ų140121.5 Ų121.575%0.74974%0.737SS**  trans30130.2131.1-54.2-3.6000121.2
475S35Very low36.8Very low124 Ų124122.4 Ų122.487%0.86774%0.737SS**  175.3164.5107.3-760000112.7
476S34.7Very low36.8Very low108 Ų108120.8 Ų120.876%0.75573%0.734SS**  trans-109-169.2174.359.30000111.4
477S37.2Very low36.8Very low102 Ų102120.6 Ų120.671%0.71373%0.732SS**  trans77.8110.717884.70000113.4
478T31.8Very low36.9Very low126 Ų126118.6 Ų118.677%0.77373%0.725SS**  79.5153.778.157.70000114.9
479S32.2Very low36.8Very low101 Ų101119.1 Ų119.171%0.70672%0.719SS**  trans60.1103.417630.20000114.5
480S32.7Very low36.5Very low90 Ų90118.5 Ų118.563%0.62972%0.716SS**  89.2154.676.269.50000112.2
481D36.4Very low36.5Very low143 Ų143117.4 Ų117.477%0.76571%0.714SS**  trans69.8152.9166.7-47.7-56.7000116.1
482V35.7Very low36.5Very low110 Ų110119.5 Ų119.567%0.66771%0.713SS**  cis-163.7163.7-22.3123.80000107.2
483N38.7Very low36.5Very low136 Ų136122.2 Ų122.273%0.72772%0.715SS**  trans68.9160.9165.9-74.7-13.1000119.1
484I34.4Very low36.4Very low146 Ų146121.8 Ų121.875%0.74971%0.713SS**  cis-167.4139.7-43.4-118.8175.7000107.6
485A38.7Very low36.5Very low88 Ų88118.3 Ų118.373%0.72771%0.705SS**  trans175.5119.9152.800000109.6
486V38Very low36.5Very low127 Ų127119.2 Ų119.277%0.7770%0.699SS**  74108.766.9167.10000109.4
487L39.1Very low36.7Very low139 Ų139120.8 Ų120.873%0.72870%0.699SS**  cis-150.4147.725-95.6147.2000114.1
488N39.8Very low36.8Very low123 Ų123121.1 Ų121.166%0.65870%0.697SS**  trans45.1156131.4-73.435.4000123.2
489D37.4Very low36.8Very low116 Ų116125.2 Ų125.262%0.6270%0.698SS**  cis-149.2155.117-133.5-43.3000115.8
490T37.6Very low37.1Very low108 Ų108125.5 Ų125.566%0.66369%0.692SS**  trans26143.414836.70000123.5
491T38Very low37.3Very low108 Ų108127 Ų12766%0.66369%0.693SS**  cis-172.2178-13.3120000111.6
492H37.7Very low37.3Very low142 Ų142126.1 Ų126.166%0.65769%0.688SS**  trans76.3113.6163.7-68.7-71.3000115.9
493E37.3Very low37.2Very low149 Ų149127.1 Ų127.170%0.69669%0.685SS**  79.8141.466.4-76.2-167.4154.400112.8
494N35.9Very low37.2Very low131 Ų131129.9 Ų129.970%0.70169%0.687SS**  cis-153.8169.5-4.7-125.4-30.5000112.2
495A37.4Very low37.6Very low68 Ų68128.4 Ų128.456%0.56268%0.681SS**  trans25.5118.6152.500000121.7
496N36.4Very low37.7Very low142 Ų142129.7 Ų129.776%0.75968%0.675SS**  63.4143.3120.7-54.2-5000123.3
497D38.2Very low37.8Very low141 Ų141129.1 Ų129.175%0.75467%0.668SS**  trans74.6122.8135-79.5-18.9000123.2
498V38.4Very low37.8Very low109 Ų109128.2 Ų128.266%0.66166%0.664SS**  73.697.2125.2179.20000117.9
499R33.3Very low37.7Very low213 Ų213129 Ų12980%0.80467%0.668SS**  83.5160.3127.3-96.9-173158.7134.6-2.3121.3
500D37.3Very low37.9Very low106 Ų106129.3 Ų129.357%0.56767%0.669SS**  trans68101.9141.3-69.212.9000120
501N37.5Very low38.1Very low121 Ų121131.2 Ų131.265%0.64768%0.675SS**  86.8129.8115.4-62.7-16.3000119.2
502N37.2Very low38Very low125 Ų125128.9 Ų128.967%0.66867%0.672SS**  trans66.5147.4136.5-63.131.3000117.6
503E33Very low38.1Very low131 Ų131129.6 Ų129.661%0.61268%0.68SS**  cis-167.9-159.7-13.2-112.5175.5131.100103.8
504Y39.2Very low38.3Very low195 Ų195128.7 Ų128.777%0.76568%0.68SS**  trans74.3135.3155.7-60.6-85.2000118.1
505N42Very low38.4Very low115 Ų115128.1 Ų128.162%0.61568%0.677SS**  cis-166.3177.5-27.5-147.2-9.7000110.4
506N41.7Very low38.5Very low114 Ų114131.7 Ų131.761%0.6169%0.686SS**  trans71.3151.9150.5-63-23000116.7
507N39.4Very low38.6Very low115 Ų115130.1 Ų130.162%0.61568%0.678SS**  cis-175.2161-17.4-96.7-13.8000104.8
508N38.9Very low38.4Very low121 Ų121132.4 Ų132.465%0.64768%0.676SS**  cis-168.3-171.3-16.9-107.2-9.7000106.7
509N38.1Very low38.3Very low138 Ų138133.7 Ų133.774%0.73868%0.679SS**  trans78.7139.7153.3-69.2-4.3000118
510I41.1Very low38.4Very low124 Ų124130.6 Ų130.664%0.63667%0.673SS**  cis-160.8149.1-12.4-127166.6000110.2
511N41.6Very low38.3Very low148 Ų148131.7 Ų131.779%0.79168%0.679SS**  trans39.9147.9156.8-50.4-7.1000121.4
512G37.1Very low38Very low58 Ų58133.9 Ų133.960%0.59869%0.687SS**  cis165167.1-2.700000111.4
513D39.8Very low38Very low157 Ų157132.9 Ų132.984%0.8469%0.686SS**  trans66.5140.4152.4-50.6-8.8000118.3
514D40.8Very low37.9Very low131 Ų131133 Ų13370%0.70169%0.691SS**  cis-159.4157.8-13.8-148.49.3000114.6
515N37.6Very low37.7Very low119 Ų119134.9 Ų134.964%0.63670%0.696SS**  trans42.3132.8145.5-86.2-47.2000126.7
516L40.9Very low37.3Very low143 Ų143137.7 Ų137.775%0.74971%0.706SS**  trans90119.3131-73.4168.7000125.2
517D38Very low37.2Very low108 Ų108138.7 Ų138.758%0.57871%0.71SS**  trans66.2124.6133.4-104-7.3000125.2
518R34.3Very low37.1Very low190 Ų190140.3 Ų140.372%0.71772%0.718SS**  trans25.7118.3134.1-61.8168.1-179.2112.8-1.2119.1
519N36.4Very low36.9Very low135 Ų135143.2 Ų143.272%0.72273%0.728SS**  173.1151.994.6-91.3-46.9000115.7
520H35.2Very low36.9Very low148 Ų148144.8 Ų144.869%0.68574%0.737SS**  trans34.1120.7146.9-69.8-63.2000124.1
521N34.2Very low36.6Very low129 Ų129146.1 Ų146.169%0.6975%0.745SS**  74.6127.2125.6-629.8000122.3
522M31.3Very low36.3Very low167 Ų167148.6 Ų148.682%0.82375%0.749SS**  trans86133.8131.8-81.1175.764.400122.7
523V36.6Very low36.2Very low105 Ų105155.1 Ų155.164%0.63676%0.764SS**  trans79.496.1151177.80000118.9
524D31.9Very low35.7Very low134 Ų134155.1 Ų155.172%0.71776%0.763SS**  49.4101126.4-43.1-24.3000121.3
525R35Very low35.3Very low234 Ų234160.2 Ų160.288%0.88377%0.773SS**  -156.2107.7121-134.6153.3-67.4-169.7-1.1116
526E34.3Very low34.8Very low173 Ų173161.4 Ų161.481%0.80878%0.778SS**  trans-1.9138134-166.6179-131.700119.3
527I38.8Very low34.3Very low135 Ų135161.8 Ų161.869%0.69278%0.78SS**  166.8129.2126.8-86.2160.3000111.3
528N36.4Very low33.8Very low150 Ų150163.9 Ų163.980%0.80279%0.79SS**  trans54.2141.1163.1-66.2-11.3000119.7
529E36.4Very low33.6Very low182 Ų182160.6 Ų160.685%0.8579%0.791SS**  cis-132.6136.68.9-65.7-171.3152.300111.7
530D37.9Very low33.3Very low171 Ų171160.4 Ų160.491%0.91479%0.79SS**  trans-174.486.3136.7-117.8-22.5000108.9
531N33.8Very low33Very low152 Ų152160.4 Ų160.481%0.81379%0.79SS**  trans-145.783-172.6-136.3-22.1000111.9
532K36.5Very low32.7Very low199 Ų199162.8 Ų162.887%0.86580%0.797SS**  trans-131.1154.5168.1-73.7-179.3-178.9167.90109.4
533E33.8Very low32.6Very low196 Ų196161.6 Ų161.692%0.91680%0.803SS**SBendtrans67.437.4179.2-57.2-172.3-16700116.4
534N30Very low32.1Very low156 Ų156163.3 Ų163.383%0.83481%0.809SS**  trans-141.980.4151.4-120.2-29.2000111.2
535R31.5Very low31.9Very low238 Ų238163 Ų16390%0.89881%0.806SS**  trans-142.793.1176.3-151.2178-162.4-158.84.5113.3
536I28.1Very low31.5Very low145 Ų145158.4 Ų158.474%0.74480%0.799SS**  trans19.7117.7141-48.6170.6000116.1L538I536-L538 HydrophobicContact CG2-CD1 4.33Å
537L30.7Very low31.3Very low151 Ų151154.7 Ų154.779%0.79180%0.798SS**  trans-141.9113.9140.9-104.8177.6000109.4V539L537-V539 HydrophobicContact CB-CG2 4.2Å; L537-V539 HydrophobicContact CD1-CG2 4.36Å; L537-V539 HydrophobicContact CD2-CG2 4.1Å; L537-V539 HydrophobicContact CG-CG2 4.46Å
538L26.7Very low30.9Very low151 Ų151155 Ų15579%0.79180%0.799SS**  trans-71.1128151.6-79.275.2000106.1I536I536-L538 HydrophobicContact CG2-CD1 4.33Å
539V31Very low30.7Very low121 Ų121154.9 Ų154.973%0.73380%0.798SS**  trans-135.3116.8166.51780000107.4L537L537-V539 HydrophobicContact CB-CG2 4.2Å; L537-V539 HydrophobicContact CD1-CG2 4.36Å; L537-V539 HydrophobicContact CD2-CG2 4.1Å; L537-V539 HydrophobicContact CG-CG2 4.46Å
540D29.5Very low30.5Very low131 Ų131154.2 Ų154.270%0.70179%0.793SS**  trans-70.8162.5175.1-80-67.6000112.7
541H28.4Very low30.2Very low148 Ų148153.5 Ų153.569%0.68579%0.789SS**SBendtrans-2.3142.4155.4-62.5-92000120.2
542H27.8Very low30.1Very low180 Ų180154 Ų15483%0.83379%0.786SS**  trans76.8102.4165.7-49.8-74.7000117.9
543C29Very low30.1Very low142 Ų142149.7 Ų149.796%0.95978%0.779SS**  -150.2150.1120.4-1150000109.8
544N27.2Very low29.9Very low140 Ų140146.6 Ų146.675%0.74977%0.768SS**  trans-143.9144.4-167.4-159.717.4000110.3
545I26.7Very low29.9Very low128 Ų128144.7 Ų144.766%0.65677%0.767SS**  trans69.4125.2157.2-74.9165.2000119.4
546N27.3Very low29.8Very low138 Ų138140.6 Ų140.674%0.73876%0.763SS**  trans62.4101.6150.3-62.4-4000123.7
547A31Very low29.9Very low95 Ų95141.2 Ų141.279%0.78577%0.767SS**  -153.9127.6121.300000106.3
548I29.6Very low29.6Very low142 Ų142140 Ų14073%0.72877%0.766SS**  cis60.286.143.5-46.1-179.1000112.5
549D31.2Very low29.7Very low146 Ų146140.4 Ų140.478%0.78177%0.768SS**  -152-178106.7-151.1-9.4000111
550K32.3Very low29.6Very low169 Ų169140.5 Ų140.574%0.73577%0.769SS**  trans-120.9170.1-165.2-59.6170.9-176.4169.20113.1
551N32.1Very low29.6Very low156 Ų156144.2 Ų144.283%0.83478%0.779SS**  trans113.6131.8150-53.6-48.2000117.3
552Q31.4Very low29.6Very low161 Ų161143.3 Ų143.375%0.75279%0.789SS**  trans-107.9-165.2175-121.2-162.1-3.700107.6
553P36.6Very low29.5Very low110 Ų110137.9 Ų137.971%0.71478%0.782SS**  cis-134.9177.36.228.1-2.9000117.5
554N29.7Very low29.4Very low130 Ų130138.5 Ų138.570%0.69577%0.774SS**  trans-20.2152.2162.2-47.4-11.1000120
555S31.4Very low29.4Very low116 Ų116137.1 Ų137.181%0.81178%0.775SS**  trans-125.4148.5150.358.90000110.8
556N28.6Very low29.5Very low152 Ų152137.6 Ų137.681%0.81378%0.778SS**  trans-91.4145.7-179-73.3-34.8000111.8
557I29.6Very low29.7Very low159 Ų159138 Ų13882%0.81578%0.78SS**  trans-128.2124159.2-65.2-179.1000108.9
558T24.1Very low29.7Very low125 Ų125143 Ų14377%0.76778%0.784SS**  trans-99.6125.2178.3-530000109.7
559L29.5Very low29.7Very low159 Ų159142.2 Ų142.283%0.83278%0.78SS**  trans-134.5151.7167.8-85.6174.4000111.6
560T29.8Very low29.6Very low124 Ų124139.6 Ų139.676%0.76177%0.773SS**  trans-111.2125.5-149.840.90000116.1
561K28.3Very low29.5Very low208 Ų208139.4 Ų139.490%0.90477%0.774SS**  trans50.383135.7-163.8-179.3-179.3179.70118.3
562S29.3Very low29.5Very low129 Ų129137.1 Ų137.190%0.90276%0.761SS**  trans-159.4137.3140.8-171.80000108.9
563G25.5Very low29.6Very low66 Ų66136.9 Ų136.968%0.6877%0.765SS**  cis178.538.41.600000113.3
564I27.1Very low29.2Very low156 Ų156139.5 Ų139.580%0.876%0.762SS**  trans-132.5119.8-178.8-56.8178.1000109.7
565S26.3Very low29.6Very low111 Ų111136.9 Ų136.978%0.77675%0.747SS**  trans-86.3111.3173.751.60000110.9
566I29.4Very low29.6Very low138 Ų138136.8 Ų136.871%0.70873%0.734SS**  trans-96.4121.4164.9-58176.3000107.1K568I566-K568 PolarHBondContact O-N 3.27Å
567N30.4Very low29.9Very low146 Ų146131 Ų13178%0.78171%0.705SS**  trans-64.7121.8176.5-77.4-16.6000109.8I569N567-I569 PolarHBondContact O-N 3.03Å
568K31.5Very low30Very low199 Ų199131.2 Ų131.287%0.86570%0.696SS**  trans-70.7108.1170.9-77.5-174.2172.3-174.70109.3I566 S570I566-K568 PolarHBondContact O-N 3.27Å; K568-S570 PolarHBondContact O-N 3.39Å; K568-S570 VanDerWaalsContact O-N 3.08Å
569I30.7Very low30.3Very low127 Ų127133.2 Ų133.265%0.65170%0.703SS**  trans-74.194.7166.7-61.4171.2000107.3N567 H571 L572N567-I569 PolarHBondContact O-N 3.03Å; I569-H571 VanDerWaalsContact C-N 3.33Å; I569-H571 PolarHBondContact O-N 3.09Å; I569-L572 HydrophobicContact CG2-CD1 4.16Å; I569-L572 HydrophobicContact CG2-CG 4.39Å
570S28Very low30.6Very low90 Ų90130.9 Ų130.963%0.62969%0.69SS**  trans-89.619.8-170.351.80000115.2K568K568-S570 PolarHBondContact O-N 3.39Å; K568-S570 VanDerWaalsContact O-N 3.08Å
571H30.1Very low30.6Very low166 Ų166130.1 Ų130.177%0.76968%0.681SS**SBendtrans-133.924.4-169-65.4-71000114.7I569I569-H571 VanDerWaalsContact C-N 3.33Å; I569-H571 PolarHBondContact O-N 3.09Å
572L32.6Very low30.8Very low107 Ų107124 Ų12456%0.5666%0.658SS**SBendtrans-122.7140.9172.6-68.6173.3000110.4I569 Y574I569-L572 HydrophobicContact CG2-CD1 4.16Å; I569-L572 HydrophobicContact CG2-CG 4.39Å; L572-Y574 PolarHBondContact O-N 3.02Å
573N32.5Very low30.7Very low157 Ų157127.1 Ų127.184%0.8465%0.65SS**  trans-65.5100.5-173-77.2-41000112.1I575N573-I575 PolarHBondContact O-N 3.22Å
574Y29.7Very low30.9Very low165 Ų165129.7 Ų129.765%0.64765%0.653SS**  trans-74.193.3173-170.9-94.8000110.2L572 E576L572-Y574 PolarHBondContact O-N 3.02Å; Y574-E576 HydrophobicContact CD1-CB 4.25Å; Y574-E576 HydrophobicContact CE1-CB 3.84Å; Y574-E576 HydrophobicContact CE1-CG 4.1Å; Y574-E576 PolarHBondContact O-N 3.44Å
575I36.5Very low30.9Very low75 Ų75128.3 Ų128.339%0.38565%0.651SS.*  trans-91.699.2174.4-52.9180000108.6K125 I126 N573 P577K125-I575 HydrophobicContact CD-CD1 4.44Å; I126-I575 HydrophobicContact CD1-CG2 3.79Å; I126-I575 HydrophobicContact CG1-CD1 4.47Å; I126-I575 HydrophobicContact CG1-CG2 4.13Å; N573-I575 PolarHBondContact O-N 3.22Å; I575-P577 WeakPolarHBondContact O-CD 3.5Å
576E31.3Very low30.8Very low113 Ų113131.1 Ų131.153%0.52865%0.652SS.*  trans-74119.2178.9-165.2174.8-109.400110.9Y574 Y578Y574-E576 HydrophobicContact CD1-CB 4.25Å; Y574-E576 HydrophobicContact CE1-CB 3.84Å; Y574-E576 HydrophobicContact CE1-CG 4.1Å; Y574-E576 PolarHBondContact O-N 3.44Å; E576-Y578 PolarHBondContact O-N 2.78Å
577P36.8Very low30.6Very low30 Ų30130.1 Ų130.120%0.19566%0.656CS.*  trans-85.5107.9179.231.8-30.4000110.4A122 I575A122-P577 HydrophobicContact CB-CB 3.51Å; I575-P577 WeakPolarHBondContact O-CD 3.5Å
578Y31.1Very low30.5Very low164 Ų164128.5 Ų128.564%0.64366%0.656SS**  trans-54.5158.4174.1-69.4-88.5000113.2E576 L580E576-Y578 PolarHBondContact O-N 2.78Å; Y578-L580 PolarHBondContact O-N 3.24Å; Y578-L580 VanDerWaalsContact O-N 3.09Å
579N30.8Very low30.3Very low168 Ų168127.2 Ų127.290%0.89865%0.651SS**  trans-59.8109.7-175.1-66.1-47000112.9D581N579-D581 PolarHBondContact O-N 3.01Å
580L35.4Very low30.3Very low109 Ų109130 Ų13057%0.57166%0.661SS**  trans-82.985170.1-128.474.7000109.8Y578 L582Y578-L580 PolarHBondContact O-N 3.24Å; Y578-L580 VanDerWaalsContact O-N 3.09Å; L580-L582 VanDerWaalsContact C-N 3.26Å; L580-L582 HydrophobicContact CD2-CD1 4.13Å; L580-L582 HydrophobicContact CD2-CD2 4.22Å; L580-L582 HydrophobicContact CD2-CG 4.12Å; L580-L582 HydrophobicContact CG-CD2 4.37Å; L580-L582 HydrophobicContact CG-CG 4.27Å; L580-L582 PolarHBondContact O-N 3.38Å
581D29.9Very low30.3Very low108 Ų108133.5 Ų133.558%0.57867%0.667SS**  trans-77.776.6171.6-168.48.5000110N579 R583N579-D581 PolarHBondContact O-N 3.01Å; D581-R583 VanDerWaalsContact C-N 3.26Å; D581-R583 PolarHBondContact O-N 3.48Å; D581-R583 WeakPolarHBondContact OD1-CG 3.39Å; D581-R583 IonicContact OD1-NE 3.91Å; D581-R583 PolarHBondContact OD1-NE 3.27Å; D581-R583 IonicContact OD2-CZ 3.45Å; D581-R583 VanDerWaalsContact OD2-CZ 3.26Å; D581-R583 IonicContact OD2-NE 3.91Å; D581-R583 PolarHBondContact OD2-NE 3.15Å; D581-R583 IonicContact OD2-NH2 2.71Å; D581-R583 PolarHBondContact OD2-NH2 3.16Å
582L33Very low30.3Very low79 Ų79129.1 Ų129.141%0.41467%0.667SS.*  trans-72.575.8178.1-70177.6000111.2I46 L580I46-L582 HydrophobicContact CD1-CB 4.06Å; I46-L582 VanDerWaalsContact CD1-O 3.32Å; I46-L582 WeakPolarHBondContact CD1-O 3.22Å; L580-L582 VanDerWaalsContact C-N 3.26Å; L580-L582 HydrophobicContact CD2-CD1 4.13Å; L580-L582 HydrophobicContact CD2-CD2 4.22Å; L580-L582 HydrophobicContact CD2-CG 4.12Å; L580-L582 HydrophobicContact CG-CD2 4.37Å; L580-L582 HydrophobicContact CG-CG 4.27Å; L580-L582 PolarHBondContact O-N 3.38Å
583R27.1Very low30.2Very low196 Ų196132.1 Ų132.174%0.7468%0.683SS**  trans-77.1135.3169.5-58.9-167.8-170.7-155.51.7110.7D581 V585D581-R583 VanDerWaalsContact C-N 3.26Å; D581-R583 PolarHBondContact O-N 3.48Å; D581-R583 WeakPolarHBondContact OD1-CG 3.39Å; D581-R583 IonicContact OD1-NE 3.91Å; D581-R583 PolarHBondContact OD1-NE 3.27Å; D581-R583 IonicContact OD2-CZ 3.45Å; D581-R583 VanDerWaalsContact OD2-CZ 3.26Å; D581-R583 IonicContact OD2-NE 3.91Å; D581-R583 PolarHBondContact OD2-NE 3.15Å; D581-R583 IonicContact OD2-NH2 2.71Å; D581-R583 PolarHBondContact OD2-NH2 3.16Å; R583-V585 PolarHBondContact O-N 2.89Å
584T29.6Very low30.1Very low119 Ų119128.4 Ų128.473%0.7368%0.682SS**  trans-59126.8-176.9-42.20000111.9Q586T584-Q586 PolarHBondContact O-N 3.36Å; T584-Q586 VanDerWaalsContact O-N 3.1Å
585V26.3Very low30.1Very low127 Ų127125.8 Ų125.877%0.7769%0.688SS**  trans-74.2100.3168.5178.80000108.3R583 C587R583-V585 PolarHBondContact O-N 2.89Å; V585-C587 PolarHBondContact O-N 2.97Å; V585-C587 VanDerWaalsContact O-N 3.12Å
586Q24.9Very low29.9Very low170 Ų170127.6 Ų127.679%0.79470%0.702SS**  trans-78.295.4-177-173.3170.4-11.300110.6T584 S588T584-Q586 PolarHBondContact O-N 3.36Å; T584-Q586 VanDerWaalsContact O-N 3.1Å; Q586-S588 PolarHBondContact O-N 2.79Å
587C25.2Very low29.9Very low118 Ų118129.6 Ų129.680%0.79772%0.716SS**  trans-65.4103.9175.5-77.90000111.5V585 K589V585-C587 PolarHBondContact O-N 2.97Å; V585-C587 VanDerWaalsContact O-N 3.12Å; C587-K589 PolarHBondContact O-N 3.17Å
588S27.8Very low29.6Very low111 Ų111131.4 Ų131.478%0.77674%0.74SS**  trans-55.4128.9173.5-59.20000111.8Q586Q586-S588 PolarHBondContact O-N 2.79Å
589K27.1Very low29.5Very low172 Ų172129.8 Ų129.875%0.74875%0.753SS**  trans-107.892175.4-176.6-177.2176.2-175.20109.1C587 H591C587-K589 PolarHBondContact O-N 3.17Å; K589-H591 PolarHBondContact O-N 2.82Å
590E31.3Very low29.4Very low187 Ų187125.2 Ų125.287%0.87475%0.746SS**  trans-67.7127.2177.9-67.8-176.3145.400111
591H27.8Very low29.1Very low163 Ų163126 Ų12676%0.75576%0.76SS**  trans-104.1120.3165.5-87.1-96.8000107.6K589K589-H591 PolarHBondContact O-N 2.82Å
592G30.5Very low29.1Very low74 Ų74125.4 Ų125.476%0.76377%0.765SS**  trans-145.6120175.700000110.5
593N29.1Very low28.8Very low170 Ų170129.9 Ų129.991%0.90979%0.789SS**  trans-107.3125.9-179.3-86.9-9000110.8
594G30.6Very low28.9Very low78 Ų78127.8 Ų127.880%0.80479%0.792SS**  trans72.9171.7166.300000115.8
595S29.6Very low28.7Very low111 Ų111127.5 Ų127.578%0.77680%0.795SS**  cis-163.6149-12.4-157.30000110.5
596V33.9Very low28.8Very low112 Ų112127 Ų12768%0.67980%0.797SS**  trans62.2107.8160.3170.80000117.8
597D30.5Very low29Very low155 Ų155123.3 Ų123.383%0.82979%0.79SS**  trans50.5144.7130.5-45.5-17.1000122.5
598G30.1Very low29Very low68 Ų68128.6 Ų128.670%0.70179%0.793SS**  trans141.260159.300000118G600G598-G600 PolarHBondContact O-N 3.4Å
599S28.9Very low29.1Very low130 Ų130128.8 Ų128.891%0.90979%0.79SS**  trans17.399.3154.258.30000118.6
600G29.6Very low29.1Very low73 Ų73127.8 Ų127.875%0.75379%0.793SS**  trans-152114.2173.600000112.9G598G598-G600 PolarHBondContact O-N 3.4Å
601S27.5Very low28.9Very low124 Ų124124.4 Ų124.487%0.86779%0.785SS**  trans-68.1124.2-174.253.50000114.7
602S31.7Very low28.8Very low96 Ų96124 Ų12467%0.67179%0.787SS**  trans-163.4145.5147.351.70000112.1
603N25.6Very low28.5Very low173 Ų173126 Ų12693%0.92579%0.785SS**  trans-84.6114.3174-64.7-37.6000109.3
604L29Very low28.4Very low152 Ų152123.7 Ų123.780%0.79678%0.777SS**  trans-129.194.8175.2-89164.1000111S606L604-S606 PolarHBondContact O-N 3.3Å
605S26.8Very low28.1Very low113 Ų113126.3 Ų126.379%0.7978%0.778SS**  trans-71.3114.2166.7-174.50000109.1S607S605-S607 PolarHBondContact O-N 3.17Å; S605-S607 VanDerWaalsContact O-N 3.16Å
606S27.4Very low28.1Very low117 Ų117126.1 Ų126.182%0.81878%0.777SS**  trans-87.276.9-178.5-1690000111L604 R608L604-S606 PolarHBondContact O-N 3.3Å; S606-R608 PolarHBondContact O-N 3.24Å
607S28.3Very low27.7Very low93 Ų93127.1 Ų127.165%0.6578%0.783SS**  trans-75.4112170.251.80000110.1S605 T609S605-S607 PolarHBondContact O-N 3.17Å; S605-S607 VanDerWaalsContact O-N 3.16Å; S607-T609 PolarHBondContact O-N 3.1Å; S607-T609 VanDerWaalsContact O-N 3.15Å
608R26.8Very low27.6Very low228 Ų228125.5 Ų125.586%0.8677%0.773SS**  trans-86.886.4-174.7-155.2177.9-165.7-161.94.1111.2S606 N610S606-R608 PolarHBondContact O-N 3.24Å; R608-N610 PolarHBondContact O-N 2.83Å
609T28.6Very low27.5Very low115 Ų115132 Ų13271%0.70678%0.782SS**  trans-75.1116.2179.643.50000112.3S607S607-T609 PolarHBondContact O-N 3.1Å; S607-T609 VanDerWaalsContact O-N 3.15Å
610N27.9Very low27.7Very low152 Ų152130.7 Ų130.781%0.81377%0.769SS**  trans-9592.9171.9-77.5-9.9000110.2R608 L612R608-N610 PolarHBondContact O-N 2.83Å; N610-L612 PolarHBondContact O-N 3.38Å
611T25.9Very low27.6Very low115 Ų115131.6 Ų131.671%0.70678%0.778SS**  trans-79.3113.7177.7-480000111.1
612L26.1Very low27.9Very low154 Ų154130.3 Ų130.381%0.80677%0.769SS**  trans-99.1100.7176.1-164.878.8000111.1N610 T614N610-L612 PolarHBondContact O-N 3.38Å; L612-T614 PolarHBondContact O-N 2.86Å
613T25.4Very low27.6Very low116 Ų116130.2 Ų130.271%0.71277%0.774SS**  trans-91.7100.3179.8-53.30000111.2
614T26.5Very low27.8Very low122 Ų122129.5 Ų129.575%0.74877%0.769SS**  trans-94.5115.3171.2370000111.4L612L612-T614 PolarHBondContact O-N 2.86Å
615T25.1Very low27.7Very low134 Ų134128.5 Ų128.582%0.82277%0.772SS**  trans-96.1118.9172.5410000110.9
616S28Very low27.7Very low107 Ų107130 Ų13075%0.74877%0.77SS**  trans-107.8130.1173.553.50000110.8
617V26.2Very low27.5Very low133 Ų133132 Ų13281%0.80677%0.77SS**  trans-102.194.3174.1-1790000108.4K619V617-K619 PolarHBondContact O-N 3.47Å
618L28.3Very low27.3Very low120 Ų120133 Ų13363%0.62877%0.773SS**  trans-68.7113.5171.7-75.4170.2000109.6T620L618-T620 VanDerWaalsContact C-N 3.26Å; L618-T620 PolarHBondContact O-N 3.37Å; L618-T620 VanDerWaalsContact O-N 3.12Å
619K28.4Very low27.2Very low205 Ų205127.4 Ų127.489%0.89176%0.764SS**  trans-88.258.1-179.8-162.8177.6179.4179.50111.6V617V617-K619 PolarHBondContact O-N 3.47Å
620T31.7Very low27Very low103 Ų103127.6 Ų127.663%0.63277%0.765SS**  trans-71.8126.8173.844.50000110.8L618 S622L618-T620 VanDerWaalsContact C-N 3.26Å; L618-T620 PolarHBondContact O-N 3.37Å; L618-T620 VanDerWaalsContact O-N 3.12Å; T620-S622 VanDerWaalsContact C-N 3.28Å; T620-S622 PolarHBondContact O-N 3.16Å
621G29.1Very low26.9Very low91 Ų91125.5 Ų125.594%0.93876%0.758SS**SBendtrans-80.457.3-174.900000114.9
622S32.2Very low26.9Very low98 Ų98125.2 Ų125.269%0.68576%0.756SS**SBendtrans-152.1160.6171.452.10000110.7T620T620-S622 VanDerWaalsContact C-N 3.28Å; T620-S622 PolarHBondContact O-N 3.16Å
623A26.7Very low26.9Very low94 Ų94124 Ų12478%0.77775%0.749SS**SBendtrans-71.8157.3-172.600000113.3
624L29.2Very low27Very low157 Ų157125 Ų12582%0.82275%0.749SS**  trans77.595.2-179.1-58.3163.7000115.6I626L624-I626 PolarHBondContact O-N 3.28Å
625P27.5Very low27Very low131 Ų131125.4 Ų125.485%0.85175%0.746SS**  trans-75.8106.5165.631.2-31.6000110.4
626I26.1Very low27.2Very low146 Ų146123.8 Ų123.875%0.74974%0.741SS**  trans-80.5121.7169-59.9179.2000108.5L624 T628L624-I626 PolarHBondContact O-N 3.28Å; I626-T628 HydrophobicContact CG2-CG2 4.22Å; I626-T628 PolarHBondContact O-N 3.12Å
627L23.7Very low27.2Very low158 Ų158126.1 Ų126.183%0.82775%0.745SS**  trans-85.288.8-179.1-17374.6000111
628T24.3Very low27.3Very low115 Ų115127.7 Ų127.771%0.70675%0.747SS**  trans-93.4100.5171.747.30000111.6I626I626-T628 HydrophobicContact CG2-CG2 4.22Å; I626-T628 PolarHBondContact O-N 3.12Å
629T24.2Very low27.3Very low110 Ų110127.1 Ų127.168%0.67575%0.753SS**  trans-86.6104170.9-54.30000110.2
630T24.5Very low27.4Very low118 Ų118122.1 Ų122.172%0.72474%0.744SS**  trans-94.496.7177.5-51.70000110.9T632T630-T632 PolarHBondContact O-N 3.05Å
631T25.3Very low27.1Very low108 Ų108124.4 Ų124.466%0.66375%0.752SS**  trans-84.291176.9-52.40000110.8I633T631-I633 HydrophobicContact CG2-CG1 4.14Å; T631-I633 PolarHBondContact O-N 2.79Å; T631-I633 VanDerWaalsContact O-N 3.17Å
632T25.9Very low27.1Very low109 Ų109126.2 Ų126.267%0.66974%0.744SS**  trans-79.196.3176.9-48.30000111T630 I634T630-T632 PolarHBondContact O-N 3.05Å; T632-I634 HydrophobicContact CG2-CD1 4.45Å; T632-I634 HydrophobicContact CG2-CG1 4.02Å; T632-I634 PolarHBondContact O-N 3.44Å
633I25.6Very low26.9Very low129 Ų129129.6 Ų129.666%0.66275%0.753SS**  trans-81.4110.6172.5-55.5177.2000108.7T631 N635T631-I633 HydrophobicContact CG2-CG1 4.14Å; T631-I633 PolarHBondContact O-N 2.79Å; T631-I633 VanDerWaalsContact O-N 3.17Å; I633-N635 VanDerWaalsContact CG2-OD1 3.31Å; I633-N635 WeakPolarHBondContact CG2-OD1 3.46Å
634I28Very low26.9Very low136 Ų136128.5 Ų128.570%0.69775%0.751SS**  trans-99.892.3173.4-53.9179.4000108.2T632T632-I634 HydrophobicContact CG2-CD1 4.45Å; T632-I634 HydrophobicContact CG2-CG1 4.02Å; T632-I634 PolarHBondContact O-N 3.44Å
635N26.5Very low26.7Very low131 Ų131126.4 Ų126.470%0.70175%0.75SS**  trans-78.5118.6169-74.4-4.7000109I633 D637I633-N635 VanDerWaalsContact CG2-OD1 3.31Å; I633-N635 WeakPolarHBondContact CG2-OD1 3.46Å; N635-D637 PolarHBondContact O-N 3.42Å
636S30.8Very low26.7Very low101 Ų101128 Ų12871%0.70675%0.751SS**  trans-97.841.4-178.2-59.50000113.3
637D26.1Very low26.7Very low155 Ų155128 Ų12883%0.82975%0.752SS**  trans-89.6101.8169.7-75.2-46.5000109.5N635N635-D637 PolarHBondContact O-N 3.42Å
638I30.1Very low26.9Very low167 Ų167128.3 Ų128.386%0.85675%0.751SS**  trans-115.999.8176.3-57.4-179.3000110.1
639S27.5Very low27.1Very low107 Ų107128 Ų12875%0.74875%0.753SS**  trans-152.6143148.167.90000112.2
640S29.5Very low27.1Very low100 Ų100129.9 Ų129.970%0.69976%0.76SS**  trans73.5104170.771.30000120.4
641N26.3Very low27.2Very low151 Ų151130.7 Ų130.781%0.80776%0.764SS**  trans90.9155.9132-59.8-18.8000122.3
642V29.8Very low27.1Very low129 Ų129130.6 Ų130.678%0.78276%0.763SS**  trans70.182.4-178.8-164.80000113.9
643I26.7Very low27.1Very low169 Ų169132.1 Ų132.187%0.86777%0.766SS**  76.4117.764.6-58.7167000113.4
644G26.6Very low27Very low72 Ų72131.7 Ų131.774%0.74277%0.77SS**  trans144.656.2176.900000113.1
645S25.5Very low26.8Very low113 Ų113130 Ų13079%0.7977%0.769SS**  91.4157.988.7-1650000112.8
646L28.4Very low26.7Very low165 Ų165129.7 Ų129.786%0.86477%0.772SS**  trans66.376.1-164.9-50.4177.4000112.6
647N25.6Very low26.4Very low144 Ų144130.2 Ų130.277%0.7777%0.774SS**  cis74.390.945.4-16930000115.6
648M27.8Very low26.3Very low166 Ų166127.7 Ų127.782%0.81877%0.769SS**  trans-163.5141.2135.3-104.5-63.5159.900111.1
649S28.8Very low26.2Very low107 Ų107126.6 Ų126.675%0.74877%0.765SS**  trans5777.8161.9-56.40000119.8
650N24.2Very low26.2Very low151 Ų151125.7 Ų125.781%0.80776%0.759SS**  trans-86.2131.6162.5-101-22.3000112
651T26.9Very low26.1Very low135 Ų135130 Ų13083%0.82877%0.765SS**  trans-123.793.9155.7-57.50000108.7
652V23.4Very low26.3Very low105 Ų105129.4 Ų129.464%0.63676%0.762SS**  trans-85120.5-179.41760000109.9T654V652-T654 HydrophobicContact CG1-CG2 3.88Å
653I25.3Very low26.2Very low142 Ų142132.5 Ų132.573%0.72877%0.765SS**  trans-113.8105.9159.1-62.3-179.5000107.6
654T22.3Very low26.3Very low120 Ų120133.3 Ų133.374%0.73677%0.765SS**  trans-79.2119.6169.4480000110.2V652V652-T654 HydrophobicContact CG1-CG2 3.88Å
655S25Very low26.3Very low99 Ų99136.9 Ų136.969%0.69277%0.766SS**  trans-126.297.8163.458.20000109.7C657S655-C657 PolarHBondContact O-N 2.88Å
656V23.3Very low26.6Very low125 Ų125137.3 Ų137.376%0.75877%0.769SS**  trans-81.2110.4174.7-178.90000108.4
657C25.5Very low26.6Very low112 Ų112134.5 Ų134.576%0.75776%0.759SS**  trans-115.576.3174.3-72.80000110.9S655 N659S655-C657 PolarHBondContact O-N 2.88Å; C657-N659 PolarHBondContact O-N 3.28Å; C657-N659 VanDerWaalsContact O-N 3.11Å
658S24.1Very low26.8Very low103 Ų103135.1 Ų135.172%0.7276%0.763SS**  trans-71.993.9172.7-56.40000111.1S660S658-S660 PolarHBondContact O-N 3.25Å
659N27.7Very low26.8Very low143 Ų143130.2 Ų130.277%0.76575%0.754SS**  trans-9286.3168.2-81.2-11.6000110.4C657C657-N659 PolarHBondContact O-N 3.28Å; C657-N659 VanDerWaalsContact O-N 3.11Å
660S26.4Very low26.6Very low89 Ų89130.4 Ų130.462%0.62276%0.756SS**  trans-63.6133.4156-173.80000108.5S658S658-S660 PolarHBondContact O-N 3.25Å
661F28.6Very low26.8Very low190 Ų190130.3 Ų130.383%0.83376%0.755SS**  trans-122101.5161.8-109.1-81.6000108
662D31.1Very low26.7Very low139 Ų139131.2 Ų131.274%0.74375%0.749SS**  trans-63.1136.3-177.9-78.6-77.1000112.2Q664D662-Q664 PolarHBondContact O-N 3.15Å
663K26.4Very low26.8Very low193 Ų193133.7 Ų133.784%0.83975%0.754SS**  trans-77.4115.7164.9-71177.9178.7174.70108.6
664Q30Very low26.7Very low187 Ų187132.7 Ų132.787%0.87476%0.755SS**  trans-109.7132.7147.5-70-152.18.400110.1D662D662-Q664 PolarHBondContact O-N 3.15Å
665L26Very low26.9Very low146 Ų146133.9 Ų133.976%0.76476%0.755SS**  trans-83131170.2-89.563.1000108.8
666S31.1Very low26.8Very low122 Ų122135.4 Ų135.485%0.85375%0.754SS**  trans-134.4105.8148.254.70000109.1
667T28.4Very low26.8Very low106 Ų106137.4 Ų137.465%0.6576%0.757SS**  trans-87.8132.7177.748.10000110.4
668N30.8Very low26.8Very low158 Ų158136.6 Ų136.685%0.84575%0.753SS**  167-179.4123.6-82.5-29.8000113.1
669G27.7Very low26.9Very low62 Ų62138.8 Ų138.864%0.63976%0.756SS**  trans-46.4146.8-171.100000116.4
670S25.2Very low26.9Very low112 Ų112138 Ų13878%0.78376%0.756SS**  72.9138.556.784.90000113.9
671L26.6Very low27.2Very low149 Ų149142.5 Ų142.578%0.7877%0.767SS**  trans79.996.7176.2-58170.4000118.8
672Q25.7Very low27.4Very low153 Ų153138 Ų13872%0.71576%0.756SS**  69142.4124.9-65.1-15438.700123.4
673Q25.1Very low27.6Very low158 Ų158139.6 Ų139.674%0.73876%0.759SS**  trans70.4107.4150-71.8175.349.700120.9
674T23.3Very low27.9Very low120 Ų120134.6 Ų134.674%0.73675%0.749SS**  57.7151.7112.5-36.90000121.3
675I26.8Very low28.2Very low145 Ų145133.5 Ų133.574%0.74475%0.748SS**  trans8595171.3-47.1175.8000113
676I23.1Very low28.4Very low132 Ų132130.8 Ų130.868%0.67774%0.741SS**  81126.665.4-64.7172.4000114.4
677M23.8Very low28.5Very low166 Ų166129.8 Ų129.882%0.81873%0.734SS**  trans74.2111.6163.4-79.9-174.7-59.100121.9
678S25.2Very low28.7Very low96 Ų96129.3 Ų129.367%0.67174%0.735SS**  42146.9125.868.50000121.5
679L25.2Very low28.6Very low149 Ų149126.5 Ų126.578%0.7873%0.728SS**  -174.8175.653.2-163.466.5000112
680T29.3Very low28.8Very low125 Ų125129.6 Ų129.677%0.76773%0.734SS**  trans79.6122.2159.9590000121.9
681H31Very low28.9Very low185 Ų185129.8 Ų129.886%0.85673%0.731SS**  trans-89.1176.8152.9-107.356.7000108.6
682P34.6Very low29.1Very low94 Ų94129.4 Ų129.461%0.6174%0.735SS**  -165.8-176.75247.7-25000121.3
683H34.6Very low29.1Very low174 Ų174127.5 Ų127.581%0.80673%0.734SS**  trans66.2153.5147.4-64.6-31.5000121.2
684S33.4Very low29.1Very low88 Ų88127.2 Ų127.262%0.61574%0.736SS**  cis-174.1177.6-20.956.40000111.7
685L35Very low29.3Very low163 Ų163127.4 Ų127.485%0.85374%0.737SS**  trans76.5151.7163.9-57.8166.6000118.5
686S31.3Very low29.2Very low90 Ų90126.1 Ų126.163%0.62974%0.737SS**  cis-172.3152-22178.20000113.2
687S33Very low29.3Very low101 Ų101124.3 Ų124.371%0.70674%0.736SS**  trans63.6150.2148.244.40000122.4
688S32.9Very low29.4Very low96 Ų96122.8 Ų122.867%0.67174%0.736SS**  cis-175163.4-22.155.40000111.7
689S28.8Very low29.5Very low99 Ų99125.6 Ų125.669%0.69274%0.743SS**  trans59146.5144.155.40000120.9
690T31.6Very low29.8Very low126 Ų126125.5 Ų125.577%0.77374%0.742SS**  cis-163.2152.65.170000112.9
691T26.4Very low29.8Very low117 Ų117126.8 Ų126.872%0.71874%0.744SS**  trans-0.5143.3151.7-19.10000122.3
692T30.4Very low30.1Very low140 Ų140123 Ų12386%0.85974%0.736SS**  178.6165.3114.2-670000111.4
693T25.6Very low29.8Very low114 Ų114125.5 Ų125.570%0.69974%0.743SS**  trans-127.9174.3-156.8-36.10000113.3
694I26.4Very low29.8Very low152 Ų152124.9 Ų124.978%0.77975%0.745SS**  trans66.3150.116811.3-179.1000115.4
695T27.5Very low29.8Very low123 Ų123125.6 Ų125.676%0.75575%0.75SS**  cis-146.6-176.214.4-29.80000113.4
696T24.7Very low30.1Very low119 Ų119123.1 Ų123.173%0.7374%0.744SS**  trans-71.7176.1-171.8550000117.2
697S24.9Very low30.4Very low94 Ų94124 Ų12466%0.65775%0.75SS**  trans118.592.5139.5-53.10000118.5
698T26.5Very low30.6Very low134 Ų134128.1 Ų128.182%0.82276%0.758SS**  48.1124.912958.20000123.3
699N25.7Very low30.9Very low155 Ų155128.3 Ų128.383%0.82976%0.759SS**  trans87.1163.9135.8-155.611.8000119.3
700I32.4Very low31.2Very low147 Ų147130.7 Ų130.775%0.75476%0.764SS**  trans87.893.4166.4-49.2168.2000117.1
701N29.8Very low31.4Very low151 Ų151129.3 Ų129.381%0.80776%0.76SS**  trans-64.7168.1148.9-88.1-31.2000110.8
702P36.1Very low31.9Very low105 Ų105128.8 Ų128.868%0.68276%0.761SS**  cis-143-161.316.834.9-10.4000115.4
703L29.3Very low32.1Very low147 Ų147127.6 Ų127.677%0.7775%0.753SS**  trans71118.9145.5-116.971.6000118.2
704L34Very low32.5Very low161 Ų161130.4 Ų130.484%0.84376%0.756SS**  -167.4171.973.8-96.5154.2000113
705S33.4Very low32.9Very low103 Ų103129.4 Ų129.472%0.7275%0.752SS**  trans-119.9-156.5-17259.10000110.7
706P41.4Very low33.2Very low112 Ų112132 Ų13273%0.72775%0.752SS**  cis-141.1173.9-9.341.9-23.8000117.3
707S37.3Very low33.7Very low107 Ų107131.6 Ų131.675%0.74875%0.752SS**  trans178.2120139.423.90000109.7
708Q38.2Very low34.2Very low189 Ų189133.9 Ų133.988%0.88376%0.757SS**  64.913696.9-71.7-177-21.600115.4
709S38.3Very low34.6Very low100 Ų100136.5 Ų136.570%0.69976%0.757SS**  cis-179.1161.5-5.253.50000108.3
710D35.3Very low34.8Very low148 Ų148134.9 Ų134.979%0.79175%0.753SS**  cis-159.9-161.91.7-143.6-89.5000111.8
711S36.5Very low34.7Very low97 Ų97135.1 Ų135.168%0.67875%0.754SS**  trans67.6116171.566.70000118.2
712S36.8Very low34.9Very low107 Ų107134.7 Ų134.775%0.74875%0.751SS**  cis92.3135.944.278.50000112.3
713V35Very low34.4Very low115 Ų115134.5 Ų134.570%0.69775%0.752SS**  cis-154.7127.344.2156.90000114.2
714F32.8Very low34.4Very low173 Ų173133.2 Ų133.276%0.75975%0.754SS**  trans72.2122.5140.1-77.9-144.1000126.3
715L34.5Very low34.2Very low131 Ų131133.8 Ų133.869%0.68676%0.758SS**  63.7146.5129.1-55.8-175.9000121.3
716K33.9Very low34.2Very low177 Ų177132.7 Ų132.777%0.7776%0.763SS**  cis-156.9154.2-6.4-135.9164.3-176.9176.40110.7
717P36.4Very low33.6Very low110 Ų110133.8 Ų133.871%0.71477%0.768SS**  trans-109.6-179.5-176.241.3-35.2000115.1
718N34.4Very low33.2Very low142 Ų142133.3 Ų133.376%0.75976%0.764SS**  trans139.6151.4161.7-82.9-71.2000109.9
719K34.9Very low32.9Very low189 Ų189131.3 Ų131.382%0.82276%0.76SS**  cis-153.8160.98.3-136.3165.3-169.3-179.20112.4
720T29.4Very low32.5Very low122 Ų122132 Ų13275%0.74876%0.76SS**  trans-75.1157.4176.9-33.90000114
721L32Very low32.1Very low151 Ų151132.7 Ų132.779%0.79176%0.762SS**  trans170.7110.1132.1-88.2164.5000110.1
722I32.5Very low31.9Very low143 Ų143133 Ų13373%0.73377%0.771SS**  75.1107.598.9-67.2-173.2000116.8
723S26.5Very low31.4Very low101 Ų101133.3 Ų133.371%0.70677%0.768SS**  trans19.8133.1137.3-1740000121.8
724C29.6Very low31.3Very low119 Ų119134.5 Ų134.580%0.80478%0.776SS**  -178.4158.9108.5-96.60000113.7
725N29.8Very low31.4Very low173 Ų173133.2 Ų133.293%0.92578%0.777SS**  trans-78.6150.5175-65.1-24.7000111.8
726G31.8Very low31.4Very low80 Ų80132.7 Ų132.783%0.82579%0.785SS**  trans-169105.3176.500000115.3
727T29.6Very low31.4Very low136 Ų136130.2 Ų130.283%0.83479%0.785SS**  trans-57146-178.3-46.80000116.4
728S28.1Very low31.4Very low96 Ų96132.1 Ų132.167%0.67179%0.787SS**  trans15.1130156.9-48.20000122.2
729N33.2Very low31.5Very low148 Ų148132.8 Ų132.879%0.79179%0.791SS**  164.4118.6125.7-83.7-25.3000109.5
730T29.7Very low31.3Very low114 Ų114133.3 Ų133.370%0.69980%0.796SS**  99.5123.276.3-64.70000112.3
731L27.6Very low31.9Very low162 Ų162135.1 Ų135.185%0.84880%0.801SS**  trans57.7115.9170.7-98.470000119.8
732A31.5Very low32.1Very low104 Ų104134.9 Ų134.986%0.8680%0.8SS**  trans-156.1130133.300000109.8
733T26.8Very low32.4Very low113 Ų113136 Ų13669%0.69381%0.807SS**  trans-98.6134.5-174.3-48.10000112
734T33.4Very low33.1Very low141 Ų141137.6 Ų137.687%0.86580%0.804SS**  trans-139.1122.1157.541.60000110.1
735N33.1Very low33.6Very low145 Ų145140.6 Ų140.678%0.77581%0.806SS**  trans-87.2138-177.1-65.8-19.6000111.6
736S34.7Very low34.2Very low121 Ų121137.5 Ų137.585%0.84679%0.788SS**  trans-139.793.6156.860.90000109.4
737T34.5Very low34.5Very low125 Ų125140 Ų14077%0.76778%0.778SS**  trans-69.4137.4178.345.90000112.2
738I36.7Very low34.7Very low150 Ų150143.2 Ų143.277%0.76978%0.776SS**  trans178.9146.5131-93.7153.7000108.7
739N35.4Very low35.2Very low155 Ų155147.5 Ų147.583%0.82978%0.778SS**  trans66.982.9-179.1-56.6-20.4000116.3
740Q32.6Very low35.2Very low200 Ų200150 Ų15094%0.93579%0.785SS**  trans-79.2147.1149.1-75.2177-7000109.7
741L40.3Very low35.6Very low161 Ų161151.4 Ų151.484%0.84379%0.786SS**  trans-151.4139.9166.2-139.3160.1000106.1
742D36.8Very low36.1Very low146 Ų146150.2 Ų150.278%0.78178%0.781SS**  trans-72.7127.8-148.8-48.6-82.5000115.7E744D742-E744 PolarHBondContact O-N 3.49Å
743D38.8Very low36.5Very low165 Ų165151 Ų15188%0.88278%0.778SS**  trans-76102.9167.6-89.7-43.5000110.2H745D743-H745 VanDerWaalsContact C-N 3.33Å; D743-H745 PolarHBondContact O-N 3.39Å
744E40.5Very low37.1Very low136 Ų136152.6 Ų152.664%0.63678%0.78SS**  trans-71.583.9170.6-69.2-155.7159.100111.3D742 I746 K763D742-E744 PolarHBondContact O-N 3.49Å; E744-I746 PolarHBondContact O-N 3.02Å; E744-K763 IonicContact OE1-NZ 2.67Å; E744-K763 PolarHBondContact OE1-NZ 3.41Å; E744-K763 IonicContact OE2-NZ 2.65Å; E744-K763 PolarHBondContact OE2-NZ 3.45Å
745H41.5Very low37.4Very low182 Ų182149.7 Ų149.784%0.84378%0.778SS**  trans-73.4108.5176.7-163.17.1000111.3D743D743-H745 VanDerWaalsContact C-N 3.33Å; D743-H745 PolarHBondContact O-N 3.39Å
746I41.7Very low37.5Very low108 Ų108147.8 Ų147.855%0.55477%0.772SS**  trans-86.6114.9176.7-57.5174.1000109.8E744 Y748E744-I746 PolarHBondContact O-N 3.02Å; I746-Y748 HydrophobicContact CB-CE2 4.47Å; I746-Y748 HydrophobicContact CG2-CD2 4.15Å; I746-Y748 HydrophobicContact CG2-CE2 3.71Å
747E38.1Very low37.4Very low132 Ų132150.7 Ų150.762%0.61778%0.778SS**  trans-90.5129.1167.2-170.3-172.2-13600110R749E747-R749 HydrophobicContact CG-CG 4.46Å; E747-R749 IonicContact OE1-CZ 3.88Å; E747-R749 IonicContact OE1-NE 3.74Å; E747-R749 IonicContact OE1-NH2 3.27Å; E747-R749 PolarHBondContact OE1-NH2 2.96Å; E747-R749 IonicContact OE2-CZ 3.16Å; E747-R749 IonicContact OE2-NE 2.73Å; E747-R749 PolarHBondContact OE2-NE 3.29Å; E747-R749 IonicContact OE2-NH2 2.73Å; E747-R749 PolarHBondContact OE2-NH2 3.04Å
748Y33.1Very low37.5Very low204 Ų204148.6 Ų148.680%0.877%0.773SS**  trans-99.5123.4170.4-68.8-90.1000109.5I746I746-Y748 HydrophobicContact CB-CE2 4.47Å; I746-Y748 HydrophobicContact CG2-CD2 4.15Å; I746-Y748 HydrophobicContact CG2-CE2 3.71Å
749R39.9Very low37.4Very low186 Ų186149.7 Ų149.770%0.70278%0.78SS**  trans-111.8130.5167.4-61.6-173.6-170.4-151.2-4.6109.3E747E747-R749 HydrophobicContact CG-CG 4.46Å; E747-R749 IonicContact OE1-CZ 3.88Å; E747-R749 IonicContact OE1-NE 3.74Å; E747-R749 IonicContact OE1-NH2 3.27Å; E747-R749 PolarHBondContact OE1-NH2 2.96Å; E747-R749 IonicContact OE2-CZ 3.16Å; E747-R749 IonicContact OE2-NE 2.73Å; E747-R749 PolarHBondContact OE2-NE 3.29Å; E747-R749 IonicContact OE2-NH2 2.73Å; E747-R749 PolarHBondContact OE2-NH2 3.04Å
750E33.3Very low37.5Very low200 Ų200146.3 Ų146.394%0.93577%0.774SS**  trans-70.6132169.5-169163.2-147.600108.8
751I37.9Very low38.2Very low143 Ų143144.4 Ų144.473%0.73377%0.768SS**  trans-124.5126.9178-60.3175.2000106.2
752D37.5Very low38.5Very low138 Ų138143 Ų14374%0.73877%0.766SS**  trans-52.4134.2-180-79-56000111.6I754D752-I754 PolarHBondContact O-N 3.16Å
753P39.9Very low39.1Very low121 Ų121142.1 Ų142.179%0.78676%0.755SS**  trans-73.486.4-177.428.9-34.7000111.5G755P753-G755 VanDerWaalsContact C-N 3.28Å; P753-G755 PolarHBondContact O-N 2.92Å
754I38.7Very low39.5Very low145 Ų145141.1 Ų141.174%0.74475%0.745SS**  trans-69.682175.7-55.9177.8000110.5D752 T756D752-I754 PolarHBondContact O-N 3.16Å; I754-T756 PolarHBondContact O-N 2.97Å; I754-T756 PolarHBondContact O-OG1 2.86Å
755G39.8Very low39.4Very low81 Ų81145.5 Ų145.584%0.83576%0.756SS**SBendtrans59.63.3157.800000118P753P753-G755 VanDerWaalsContact C-N 3.28Å; P753-G755 PolarHBondContact O-N 2.92Å
756T36.4Very low39.7Very low104 Ų104145.3 Ų145.364%0.63875%0.753SS**SBendtrans-143.7131.7-171.151.90000110.3I754 A758I754-T756 PolarHBondContact O-N 2.97Å; I754-T756 PolarHBondContact O-OG1 2.86Å; T756-A758 PolarHBondContact O-N 3.21Å
757N32.2Very low40Very low183 Ų183147.5 Ų147.598%0.97980%0.802SS**  trans-80.960.1-176-66.4-22.8000111.4
758A35.5Very low40.1Very low80 Ų80148.3 Ų148.366%0.66181%0.812SS**  trans-127.3110.1-176.900000111.1T756T756-A758 PolarHBondContact O-N 3.21Å
759L35.4Very low40.5Very low173 Ų173145.4 Ų145.491%0.90681%0.812SS**  trans-95.3111.6177.1-139.7163.4000108.5
760A37.4Very low40.5Very low85 Ų85143.1 Ų143.170%0.70282%0.819SS**  trans-103122.2-176.900000111.1
761I47.9Very low41Very low159 Ų159139.8 Ų139.882%0.81581%0.812SS**  trans-96.4114.3173-60.2173.8000108.3
762V47.2Very low41.2Very low131 Ų131139.6 Ų139.679%0.79482%0.817SS**  trans-95.3114.2171-179.20000108.1
763K47.7Very low41.4Very low129 Ų129139.7 Ų139.756%0.56182%0.822SS**  trans-100.294.1167.7-175.3159.5-177.6170.50109.4E744E744-K763 IonicContact OE1-NZ 2.67Å; E744-K763 PolarHBondContact OE1-NZ 3.41Å; E744-K763 IonicContact OE2-NZ 2.65Å; E744-K763 PolarHBondContact OE2-NZ 3.45Å
764E47.9Very low41.5Very low143 Ų143141 Ų14167%0.66882%0.824SS**  trans-67.5135.3169.7-170.2161.2-133.100109.5F766E764-F766 HydrophobicContact CG-CD2 4.44Å; E764-F766 HydrophobicContact CG-CE2 3.92Å; E764-F766 HydrophobicContact CG-CZ 4.18Å; E764-F766 WeakPolarHBondContact OE2-CZ 3.48Å
765R38.3Very low41.7Very low229 Ų229140.7 Ų140.786%0.86483%0.831SS**  trans-109.7106.1170.1-81.5-172.4173.4-172.2-3108.3
766F47.1Very low41.9Very low177 Ų177145.7 Ų145.778%0.77683%0.83SS**  trans-66.7147.9151.4-61.8-82.9000108E764E764-F766 HydrophobicContact CG-CD2 4.44Å; E764-F766 HydrophobicContact CG-CE2 3.92Å; E764-F766 HydrophobicContact CG-CZ 4.18Å; E764-F766 WeakPolarHBondContact OE2-CZ 3.48Å
767G49.7Very low42.4Very low155 Ų155149.5 Ų149.5100%1.59885%0.848SS**  trans-137.90-171.900000112.9

Retrieved 767 of 767 residues in 132.9 ms (Link to these results)

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