A0A077Z797_TRITR Loading...

RNA binding protein MEX3B

AlphaFold DB , UniProt , Accession A0A077Z797, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 273 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
1M61.3Low87.7Confident229 Ų229106.5 Ų106.5100%1.12854%0.544SS*.  0110.30-155.2171-159.700106.3
2A81.8Confident88Confident101 Ų10197.6 Ų97.684%0.83550%0.499SS*.PPolyproline II helixtrans-74.8133.2176.300000108.7
3L86.4Confident88.2Confident63 Ų6396.2 Ų96.233%0.3349%0.489SS..PPolyproline II helixtrans-82.7147175.4-63.5178.1000109.6M9 I55L3-M9 HydrophobicContact CD1-CB 3.81Å; L3-I55 HydrophobicContact CD2-CD1 4.47Å; L3-I55 HydrophobicContact CD2-CG2 3.57Å
4P89Confident88.3Confident77 Ų7789.4 Ų89.450%0.545%0.454SS..PPolyproline II helixtrans-55.5152.8169.6-21.332000111.3G6 Y7P4-G6 PolarHBondContact O-N 3.06Å; P4-Y7 HydrophobicContact CB-CD2 3.8Å; P4-Y7 HydrophobicContact CB-CE2 4.14Å; P4-Y7 HydrophobicContact CB-CG 4.2Å; P4-Y7 HydrophobicContact CG-CD1 4.48Å; P4-Y7 HydrophobicContact CG-CD2 4.27Å; P4-Y7 HydrophobicContact CG-CG 4.27Å; P4-Y7 WeakPolarHBondContact O-CB 3.18Å; P4-Y7 PolarHBondContact O-N 3.09Å
5Y89.3Confident88.4Confident238 Ų23886.5 Ų86.593%0.93344%0.444SS*.THydrogen-bonded Turntrans-55.3132.2176.6-178.8-96.8000110.9Y7Y5-Y7 VanDerWaalsContact C-N 3.34Å
6G90.6Very high88.5Confident43 Ų4390 Ų9044%0.44345%0.451SS..THydrogen-bonded Turntrans82.60.3-178.100000115.6P4 P58P4-G6 PolarHBondContact O-N 3.06Å; G6-P58 WeakPolarHBondContact O-CD 3.35Å
7Y94.5Very high88.6Confident101 Ų10192.3 Ų92.340%0.39647%0.465SS..  trans-92.4137.6174.2-77.7-125.2000110.7P4 Y5 I55 G56 Q57P4-Y7 HydrophobicContact CB-CD2 3.8Å; P4-Y7 HydrophobicContact CB-CE2 4.14Å; P4-Y7 HydrophobicContact CB-CG 4.2Å; P4-Y7 HydrophobicContact CG-CD1 4.48Å; P4-Y7 HydrophobicContact CG-CD2 4.27Å; P4-Y7 HydrophobicContact CG-CG 4.27Å; P4-Y7 WeakPolarHBondContact O-CB 3.18Å; P4-Y7 PolarHBondContact O-N 3.09Å; Y5-Y7 VanDerWaalsContact C-N 3.34Å; Y7-I55 HydrophobicContact CD1-CG2 4.26Å; Y7-G56 CarbonylContact C-O 3.49Å; Y7-G56 VanDerWaalsContact CA-O 3.3Å; Y7-G56 WeakPolarHBondContact CA-O 3.47Å; Y7-G56 VanDerWaalsContact CD1-CA 3.4Å; Y7-Q57 HydrophobicContact CE2-CG 4.37Å
8I94.1Very high88.7Confident64 Ų6487.9 Ų87.933%0.32844%0.443SS..EExtended strand (participates in β ladder)trans-111.3158172.968.2165000110.3I55 G56 P58 V61I8-I55 WeakPolarHBondContact O-CA 3.25Å; I8-G56 PolarHBondContact N-O 3.49Å; I8-G56 PolarHBondContact O-N 3.1Å; I8-P58 HydrophobicContact CD1-CB 3.86Å; I8-P58 HydrophobicContact CG1-CB 4.28Å; I8-P58 HydrophobicContact CG2-CB 4.43Å; I8-V61 HydrophobicContact CD1-CB 4.08Å; I8-V61 HydrophobicContact CD1-CG1 4.1Å; I8-V61 HydrophobicContact CD1-CG2 4.47Å; I8-V61 HydrophobicContact CG1-CB 4.05Å; I8-V61 HydrophobicContact CG1-CG1 4.27Å; I8-V61 HydrophobicContact CG1-CG2 3.89Å
9M93.7Very high88.9Confident88 Ų8884.5 Ų84.543%0.43343%0.427SS..EExtended strand (participates in β ladder)trans-119.2126.1172.5176.4179.664.100109.8L3 V53 L54 I55L3-M9 HydrophobicContact CD1-CB 3.81Å; M9-V53 HydrophobicContact CG-CG1 3.47Å; M9-V53 VanDerWaalsContact CG-CG1 3.47Å; M9-V53 HydrophobicContact SD-CG1 3.59Å; M9-V53 VanDerWaalsContact SD-CG1 3.59Å; M9-L54 VanDerWaalsContact CA-O 3.26Å; M9-L54 WeakPolarHBondContact CA-O 3.38Å; M9-I55 HydrophobicContact CG-CG1 4.33Å
10E92.5Very high89.1Confident30 Ų3083 Ų8314%0.1443%0.434CS..EExtended strand (participates in β ladder)trans-122.7139.6178.7-168.5171.6163.400110.2L54 V61 R65 T84E10-L54 HydrophobicContact CB-CB 4.48Å; E10-L54 PolarHBondContact N-O 3.11Å; E10-L54 PolarHBondContact O-N 2.86Å; E10-V61 HydrophobicContact CB-CG1 3.61Å; E10-V61 VanDerWaalsContact OE2-CG1 3.31Å; E10-V61 WeakPolarHBondContact OE2-CG1 3.46Å; E10-R65 WeakPolarHBondContact OE1-CD 3.47Å; E10-R65 IonicContact OE1-CZ 3.55Å; E10-R65 IonicContact OE1-NE 3.57Å; E10-R65 IonicContact OE1-NH1 2.69Å; E10-R65 PolarHBondContact OE1-NH1 3.03Å; E10-T84 HydrophobicContact CG-CG2 3.65Å; E10-T84 WeakPolarHBondContact OE1-CG2 3.38Å
11R91.9Very high89.3Confident137 Ų13781.7 Ų81.752%0.51743%0.427SS..EExtended strand (participates in β ladder)trans-112.1123.6-178-67.7177.8-178.6-108.11.3109.8I51 F52 T84R11-I51 HydrophobicContact CB-CG2 3.93Å; R11-I51 HydrophobicContact CG-CG2 4.31Å; R11-F52 WeakPolarHBondContact CA-O 3.46Å; R11-T84 WeakPolarHBondContact O-CG2 3.21Å
12I91.3Very high90.8Very high0 Ų070.8 Ų70.80%037%0.373CS..EExtended strand (participates in β ladder)trans-118.9121.3-175.8-59.2-169.7000109I14 I51 F52 L54 R65 V82I12-I14 HydrophobicContact CG2-CD1 4.31Å; I12-I14 HydrophobicContact CG2-CG1 3.97Å; I12-I51 WeakPolarHBondContact O-CA 3.43Å; I12-F52 HydrophobicContact CB-CB 4.47Å; I12-F52 PolarHBondContact N-O 3.46Å; I12-F52 PolarHBondContact O-N 2.96Å; I12-L54 HydrophobicContact CB-CD1 4.25Å; I12-L54 HydrophobicContact CD1-CD1 3.63Å; I12-L54 HydrophobicContact CD1-CD2 3.6Å; I12-L54 HydrophobicContact CD1-CG 4.29Å; I12-L54 HydrophobicContact CG1-CD1 3.74Å; I12-L54 HydrophobicContact CG1-CD2 4.47Å; I12-R65 HydrophobicContact CD1-CB 3.73Å; I12-R65 HydrophobicContact CD1-CG 3.65Å; I12-V82 HydrophobicContact CG2-CG1 3.02Å
13H90.5Very high91.5Very high80 Ų8067.3 Ų67.337%0.3734%0.341SS..EExtended strand (participates in β ladder)trans-89.3120.8177.3-175.8-91.8000110.6I83H13-I83 PolarHBondContact N-O 3.49Å
14I88.9Confident91.8Very high0 Ų065.5 Ų65.50%034%0.338CS..  trans-122.2124.4-179.6-57.1-175.1000108.2I12 Y16 L18 V19 V22 P50 F52 I68 I72 V82I12-I14 HydrophobicContact CG2-CD1 4.31Å; I12-I14 HydrophobicContact CG2-CG1 3.97Å; I14-Y16 PolarHBondContact O-N 3.07Å; I14-L18 HydrophobicContact CG2-CB 3.69Å; I14-V19 HydrophobicContact CG2-CG2 4.5Å; I14-V22 HydrophobicContact CD1-CG1 4.49Å; I14-V22 HydrophobicContact CD1-CG2 4.19Å; I14-V22 HydrophobicContact CG2-CG2 4.46Å; I14-P50 PolarHBondContact N-O 3.36Å; I14-P50 WeakPolarHBondContact O-CB 3.49Å; I14-P50 WeakPolarHBondContact O-CG 3.43Å; I14-F52 HydrophobicContact CB-CD2 4.09Å; I14-F52 HydrophobicContact CB-CE2 3.97Å; I14-F52 HydrophobicContact CD1-CD2 3.39Å; I14-F52 HydrophobicContact CD1-CE2 3.53Å; I14-F52 HydrophobicContact CD1-CG 4.13Å; I14-F52 HydrophobicContact CD1-CZ 4.34Å; I14-F52 HydrophobicContact CG1-CD2 3.79Å; I14-F52 HydrophobicContact CG1-CE2 4.05Å; I14-I68 HydrophobicContact CD1-CG2 3.49Å; I14-I68 VanDerWaalsContact CD1-CG2 3.49Å; I14-I72 HydrophobicContact CD1-CD1 4.17Å; I14-I72 HydrophobicContact CG2-CD1 4.09Å; I14-V82 HydrophobicContact CG1-CG1 4.4Å
15P89.5Confident92.1Very high47 Ų4769.5 Ų69.531%0.30535%0.354SS..  trans-49.3140.1175.1-31.237.7000113.3N17 L18 V19P15-N17 WeakPolarHBondContact CB-OD1 3.45Å; P15-N17 PolarHBondContact O-N 3.37Å; P15-N17 VanDerWaalsContact O-N 3.08Å; P15-L18 HydrophobicContact CB-CD1 4.4Å; P15-L18 HydrophobicContact CB-CG 4.44Å; P15-L18 HydrophobicContact CG-CD1 4.35Å; P15-L18 PolarHBondContact O-N 3.01Å; P15-V19 PolarHBondContact O-N 2.99Å
16Y90.5Very high92.3Very high142 Ų14268 Ų6856%0.55735%0.353SS*.Hα-helixtrans-52.4-35.9-175.3-74.9-78.7000114.2I14 L18 V19 R48 P50I14-Y16 PolarHBondContact O-N 3.07Å; Y16-L18 PolarHBondContact O-N 3.18Å; Y16-V19 PolarHBondContact O-N 3.32Å; Y16-R48 WeakPolarHBondContact CE1-O 3.23Å; Y16-R48 PolarHBondContact OH-O 3.49Å; Y16-P50 HydrophobicContact CD1-CB 3.78Å; Y16-P50 HydrophobicContact CD1-CG 4.19Å; Y16-P50 HydrophobicContact CD2-CB 4.41Å; Y16-P50 HydrophobicContact CD2-CG 3.94Å; Y16-P50 HydrophobicContact CE1-CB 3.78Å; Y16-P50 HydrophobicContact CE1-CG 4.03Å; Y16-P50 HydrophobicContact CE2-CB 4.41Å; Y16-P50 HydrophobicContact CE2-CG 3.77Å; Y16-P50 HydrophobicContact CG-CB 4.12Å; Y16-P50 HydrophobicContact CG-CG 4.15Å; Y16-P50 VanDerWaalsContact CZ-CD 3.49Å
17N90.1Very high92.5Very high129 Ų12966.4 Ų66.469%0.6934%0.337SS*.Hα-helixtrans-64.1-21177.359.6-31.4000113.6P15P15-N17 WeakPolarHBondContact CB-OD1 3.45Å; P15-N17 PolarHBondContact O-N 3.37Å; P15-N17 VanDerWaalsContact O-N 3.08Å
18L91.5Very high92.6Very high13 Ų1364.7 Ų64.77%0.06834%0.343CS..Hα-helixtrans-101.6-16.3-179.1-56-178.7000113.1I14 P15 Y16 G20 L21 V22 I72 T76 A80I14-L18 HydrophobicContact CG2-CB 3.69Å; P15-L18 HydrophobicContact CB-CD1 4.4Å; P15-L18 HydrophobicContact CB-CG 4.44Å; P15-L18 HydrophobicContact CG-CD1 4.35Å; P15-L18 PolarHBondContact O-N 3.01Å; Y16-L18 PolarHBondContact O-N 3.18Å; L18-G20 VanDerWaalsContact C-N 3.34Å; L18-G20 PolarHBondContact O-N 3.3Å; L18-L21 HydrophobicContact CD2-CD2 4.15Å; L18-L21 VanDerWaalsContact O-CB 3.31Å; L18-L21 WeakPolarHBondContact O-CB 3.27Å; L18-L21 PolarHBondContact O-N 3.14Å; L18-L21 VanDerWaalsContact O-N 3.11Å; L18-V22 WeakPolarHBondContact O-CG2 3.3Å; L18-V22 PolarHBondContact O-N 3.08Å; L18-I72 HydrophobicContact CD1-CG2 3.91Å; L18-T76 HydrophobicContact CD2-CG2 3.43Å; L18-T76 VanDerWaalsContact CD2-CG2 3.43Å; L18-A80 HydrophobicContact CD1-CB 3.38Å
19V92.6Very high92.6Very high23 Ų2362.5 Ų62.514%0.13933%0.332CS..Hα-helixtrans-56.3-48.2179.51770000111I14 P15 Y16 L21 V22 V23 P50 F52I14-V19 HydrophobicContact CG2-CG2 4.5Å; P15-V19 PolarHBondContact O-N 2.99Å; Y16-V19 PolarHBondContact O-N 3.32Å; V19-L21 VanDerWaalsContact C-N 3.26Å; V19-L21 PolarHBondContact O-N 3.2Å; V19-V22 PolarHBondContact O-N 3.08Å; V19-V23 HydrophobicContact CG1-CG2 4.22Å; V19-V23 WeakPolarHBondContact O-CB 3.43Å; V19-V23 VanDerWaalsContact O-CG2 3.25Å; V19-V23 WeakPolarHBondContact O-CG2 3.49Å; V19-V23 PolarHBondContact O-N 3.12Å; V19-P50 HydrophobicContact CG2-CB 3.79Å; V19-F52 HydrophobicContact CG1-CE2 4.19Å; V19-F52 HydrophobicContact CG1-CZ 3.92Å; V19-F52 HydrophobicContact CG2-CE2 4.14Å
20G92.7Very high92.7Very high54 Ų5458.6 Ų58.656%0.55731%0.313SS*.Hα-helixtrans-62.5-33.5179.400000113.4L18 G24L18-G20 VanDerWaalsContact C-N 3.34Å; L18-G20 PolarHBondContact O-N 3.3Å; G20-G24 PolarHBondContact O-N 3.32Å
21L92.6Very high92.9Very high56 Ų5663.8 Ų63.829%0.29334%0.335SS..Hα-helixtrans-69.2-41.2176.9-18069.6000111.8L18 V19 H71 R75 T76L18-L21 HydrophobicContact CD2-CD2 4.15Å; L18-L21 VanDerWaalsContact O-CB 3.31Å; L18-L21 WeakPolarHBondContact O-CB 3.27Å; L18-L21 PolarHBondContact O-N 3.14Å; L18-L21 VanDerWaalsContact O-N 3.11Å; V19-L21 VanDerWaalsContact C-N 3.26Å; V19-L21 PolarHBondContact O-N 3.2Å; L21-H71 PolarHBondContact O-NE2 3.5Å; L21-R75 HydrophobicContact CD1-CB 3.86Å; L21-R75 HydrophobicContact CD1-CG 3.95Å; L21-R75 HydrophobicContact CD2-CB 3.63Å; L21-R75 HydrophobicContact CD2-CG 4.41Å; L21-R75 HydrophobicContact CG-CB 4.08Å; L21-R75 HydrophobicContact CG-CG 4.35Å; L21-T76 HydrophobicContact CD2-CG2 3.96Å
22V93.8Very high93.1Very high0 Ų063.6 Ų63.60%033%0.334CS..Hα-helixtrans-69.3-44.5176.9173.50000110.9I14 L18 V19 N29 I30 F52 I68 I72I14-V22 HydrophobicContact CD1-CG1 4.49Å; I14-V22 HydrophobicContact CD1-CG2 4.19Å; I14-V22 HydrophobicContact CG2-CG2 4.46Å; L18-V22 WeakPolarHBondContact O-CG2 3.3Å; L18-V22 PolarHBondContact O-N 3.08Å; V19-V22 PolarHBondContact O-N 3.08Å; V22-N29 PolarHBondContact O-ND2 2.94Å; V22-I30 HydrophobicContact CG1-CD1 4.3Å; V22-F52 HydrophobicContact CB-CZ 4.37Å; V22-F52 HydrophobicContact CG1-CE1 4.17Å; V22-F52 HydrophobicContact CG1-CZ 4.06Å; V22-I68 HydrophobicContact CG1-CG1 4.41Å; V22-I68 HydrophobicContact CG1-CG2 4.12Å; V22-I68 HydrophobicContact CG2-CG2 4.28Å; V22-I72 HydrophobicContact CG2-CD1 3.88Å; V22-I72 HydrophobicContact CG2-CG1 3.7Å
23V94.8Very high93.4Very high28 Ų2863.9 Ų63.917%0.1734%0.336CS..Hα-helixtrans-68.1-45.6-178.6175.70000111.5V19 G27 N29 I30 T43 F52V19-V23 HydrophobicContact CG1-CG2 4.22Å; V19-V23 WeakPolarHBondContact O-CB 3.43Å; V19-V23 VanDerWaalsContact O-CG2 3.25Å; V19-V23 WeakPolarHBondContact O-CG2 3.49Å; V19-V23 PolarHBondContact O-N 3.12Å; V23-G27 CarbonylContact O-C 3.54Å; V23-G27 VanDerWaalsContact O-CA 3.29Å; V23-G27 WeakPolarHBondContact O-CA 3.19Å; V23-N29 PolarHBondContact O-N 2.97Å; V23-I30 HydrophobicContact CG1-CG2 4.13Å; V23-I30 PolarHBondContact O-N 3.07Å; V23-I30 VanDerWaalsContact O-N 3.16Å; V23-T43 HydrophobicContact CG2-CG2 3.42Å; V23-T43 VanDerWaalsContact CG2-CG2 3.42Å; V23-F52 HydrophobicContact CG2-CE1 4.18Å; V23-F52 HydrophobicContact CG2-CZ 4.09Å
24G94.1Very high93.7Very high25 Ų2562.1 Ų62.126%0.25833%0.327SS..  trans73.6174.4-176.500000113.9G20 K26 G27G20-G24 PolarHBondContact O-N 3.32Å; G24-K26 PolarHBondContact O-N 2.75Å; G24-G27 PolarHBondContact O-N 3.1Å
25L94.5Very high94.1Very high161 Ų16170.2 Ų70.284%0.84336%0.363SS*.G310 helixtrans-56.3123.2-179.8-66.5163.1000110.8G27 A28L25-G27 PolarHBondContact O-N 3.44Å; L25-A28 VanDerWaalsContact O-CB 3.23Å; L25-A28 WeakPolarHBondContact O-CB 3.39Å; L25-A28 PolarHBondContact O-N 3.4Å
26K93.2Very high94.4Very high207 Ų20771.7 Ų71.790%0.937%0.368SS*.G310 helixtrans53.722.3-177.3-57.4-178.1178.1179.90114.5G24 A28G24-K26 PolarHBondContact O-N 2.75Å; K26-A28 VanDerWaalsContact C-N 3.29Å; K26-A28 PolarHBondContact O-N 2.87Å
27G94.7Very high94.7Very high10 Ų1064.9 Ų64.910%0.10334%0.341CS..G310 helixtrans7316.3-174.500000114.4V23 G24 L25 N29 I30 K31V23-G27 CarbonylContact O-C 3.54Å; V23-G27 VanDerWaalsContact O-CA 3.29Å; V23-G27 WeakPolarHBondContact O-CA 3.19Å; G24-G27 PolarHBondContact O-N 3.1Å; L25-G27 PolarHBondContact O-N 3.44Å; G27-N29 VanDerWaalsContact C-N 3.3Å; G27-N29 PolarHBondContact O-N 3.2Å; G27-I30 WeakPolarHBondContact O-CG2 3.31Å; G27-I30 PolarHBondContact O-N 3.39Å; G27-K31 VanDerWaalsContact O-CB 3.27Å; G27-K31 WeakPolarHBondContact O-CB 3.33Å; G27-K31 WeakPolarHBondContact O-CG 3.43Å; G27-K31 PolarHBondContact O-N 2.99Å
28A96.2Very high95Very high64 Ų6465.6 Ų65.653%0.52934%0.34SS..Hα-helixtrans-59.9-39.1-176.800000112.6L25 K26 R32L25-A28 VanDerWaalsContact O-CB 3.23Å; L25-A28 WeakPolarHBondContact O-CB 3.39Å; L25-A28 PolarHBondContact O-N 3.4Å; K26-A28 VanDerWaalsContact C-N 3.29Å; K26-A28 PolarHBondContact O-N 2.87Å; A28-R32 WeakPolarHBondContact O-CB 3.45Å; A28-R32 PolarHBondContact O-N 3.37Å
29N95.8Very high95.2Very high19 Ų1965.2 Ų65.210%0.10234%0.339CS..Hα-helixtrans-72.2-47.5-178.6-171.960.2000111.6V22 V23 G27 K31 R32 I33 H71V22-N29 PolarHBondContact O-ND2 2.94Å; V23-N29 PolarHBondContact O-N 2.97Å; G27-N29 VanDerWaalsContact C-N 3.3Å; G27-N29 PolarHBondContact O-N 3.2Å; N29-K31 VanDerWaalsContact C-N 3.3Å; N29-K31 PolarHBondContact O-N 3.13Å; N29-R32 WeakPolarHBondContact O-CB 3.4Å; N29-R32 PolarHBondContact O-N 2.74Å; N29-R32 PolarHBondContact OD1-NH2 2.97Å; N29-I33 WeakPolarHBondContact O-CG1 3.17Å; N29-I33 PolarHBondContact O-N 3.08Å; N29-H71 PolarHBondContact ND2-CD2 2.91Å; N29-H71 PolarHBondContact ND2-CE1 2.96Å; N29-H71 PolarHBondContact ND2-ND1 3.23Å; N29-H71 PolarHBondContact ND2-NE2 3.11Å; N29-H71 VanDerWaalsContact ND2-NE2 3.11Å
30I95.8Very high95.3Very high5 Ų569.9 Ų69.93%0.02636%0.358CS..Hα-helixtrans-65.7-34178.1-166.560.9000112.1V22 V23 G27 I33 Q34 I41V22-I30 HydrophobicContact CG1-CD1 4.3Å; V23-I30 HydrophobicContact CG1-CG2 4.13Å; V23-I30 PolarHBondContact O-N 3.07Å; V23-I30 VanDerWaalsContact O-N 3.16Å; G27-I30 WeakPolarHBondContact O-CG2 3.31Å; G27-I30 PolarHBondContact O-N 3.39Å; I30-I33 HydrophobicContact CD1-CB 4.46Å; I30-I33 HydrophobicContact CD1-CG2 4.44Å; I30-I33 PolarHBondContact O-N 3.49Å; I30-Q34 WeakPolarHBondContact O-CB 3.28Å; I30-Q34 VanDerWaalsContact O-CG 3.28Å; I30-Q34 WeakPolarHBondContact O-CG 3.21Å; I30-Q34 PolarHBondContact O-N 3.4Å; I30-I41 HydrophobicContact CD1-CB 4.2Å; I30-I41 HydrophobicContact CD1-CD1 3.75Å; I30-I41 HydrophobicContact CD1-CG2 3.91Å; I30-I41 HydrophobicContact CG1-CB 4.41Å; I30-I41 HydrophobicContact CG1-CG2 4.34Å
31K96.7Very high95.5Very high139 Ų13967.6 Ų67.660%0.60433%0.333SS*.Hα-helixtrans-65.7-39.3173.4-75.4174.9178.4178.50112.1G27 N29 Q34 K35G27-K31 VanDerWaalsContact O-CB 3.27Å; G27-K31 WeakPolarHBondContact O-CB 3.33Å; G27-K31 WeakPolarHBondContact O-CG 3.43Å; G27-K31 PolarHBondContact O-N 2.99Å; N29-K31 VanDerWaalsContact C-N 3.3Å; N29-K31 PolarHBondContact O-N 3.13Å; K31-Q34 PolarHBondContact O-N 3.24Å; K31-K35 PolarHBondContact O-N 2.87Å
32R96.4Very high95.6Very high133 Ų13367.8 Ų67.850%0.50234%0.336SS..Hα-helixtrans-61.6-48.4172.3-179.6-178.566.21641.9111A28 N29 Q34 K35 D36A28-R32 WeakPolarHBondContact O-CB 3.45Å; A28-R32 PolarHBondContact O-N 3.37Å; N29-R32 WeakPolarHBondContact O-CB 3.4Å; N29-R32 PolarHBondContact O-N 2.74Å; N29-R32 PolarHBondContact OD1-NH2 2.97Å; R32-Q34 VanDerWaalsContact C-N 3.3Å; R32-Q34 PolarHBondContact O-N 2.75Å; R32-K35 PolarHBondContact O-N 2.69Å; R32-K35 VanDerWaalsContact O-N 3.13Å; R32-D36 WeakPolarHBondContact CG-OD2 3.24Å; R32-D36 WeakPolarHBondContact O-CB 3.02Å; R32-D36 VanDerWaalsContact O-CG 3.28Å; R32-D36 PolarHBondContact O-N 3.22Å
33I96.2Very high95.6Very high6 Ų670.3 Ų70.33%0.03135%0.352CS..Hα-helixtrans-57.5-44177.1-68.6171.7000110.7N29 I30 K35 D36 A37 I41 M67 I68N29-I33 WeakPolarHBondContact O-CG1 3.17Å; N29-I33 PolarHBondContact O-N 3.08Å; I30-I33 HydrophobicContact CD1-CB 4.46Å; I30-I33 HydrophobicContact CD1-CG2 4.44Å; I30-I33 PolarHBondContact O-N 3.49Å; I33-K35 PolarHBondContact O-N 3.05Å; I33-D36 PolarHBondContact O-N 3.01Å; I33-A37 WeakPolarHBondContact O-CB 3.34Å; I33-A37 PolarHBondContact O-N 3.27Å; I33-I41 HydrophobicContact CB-CD1 4.49Å; I33-I41 HydrophobicContact CG2-CD1 3.56Å; I33-M67 HydrophobicContact CB-CE 3.86Å; I33-M67 HydrophobicContact CG1-CE 4.21Å; I33-M67 HydrophobicContact CG2-CB 4.27Å; I33-M67 HydrophobicContact CG2-CE 3.42Å; I33-M67 VanDerWaalsContact CG2-CE 3.42Å; I33-M67 WeakPolarHBondContact O-CE 3.35Å; I33-I68 HydrophobicContact CD1-CG1 4.4Å; I33-I68 HydrophobicContact CG2-CG1 4.29Å
34Q96.7Very high95.4Very high43 Ų4370 Ų7020%0.20135%0.35CS..Hα-helixtrans-60.3-43.5176.3-75-178.675.800112.6I30 K31 R32 Q38 A39 I41I30-Q34 WeakPolarHBondContact O-CB 3.28Å; I30-Q34 VanDerWaalsContact O-CG 3.28Å; I30-Q34 WeakPolarHBondContact O-CG 3.21Å; I30-Q34 PolarHBondContact O-N 3.4Å; K31-Q34 PolarHBondContact O-N 3.24Å; R32-Q34 VanDerWaalsContact C-N 3.3Å; R32-Q34 PolarHBondContact O-N 2.75Å; Q34-Q38 WeakPolarHBondContact O-CA 3.31Å; Q34-Q38 PolarHBondContact O-N 2.99Å; Q34-A39 WeakPolarHBondContact CA-O 3.22Å; Q34-A39 WeakPolarHBondContact CB-O 3.31Å; Q34-A39 WeakPolarHBondContact CG-O 3.32Å; Q34-A39 PolarHBondContact O-N 2.92Å; Q34-I41 HydrophobicContact CG-CB 3.76Å; Q34-I41 HydrophobicContact CG-CD1 3.7Å; Q34-I41 HydrophobicContact CG-CG1 3.68Å
35K97.3Very high95.2Very high171 Ų17172 Ų7274%0.74336%0.361SS*.Hα-helixtrans-65.2-45177.4-172.6-178.5178.3-176.50112K31 R32 I33K31-K35 PolarHBondContact O-N 2.87Å; R32-K35 PolarHBondContact O-N 2.69Å; R32-K35 VanDerWaalsContact O-N 3.13Å; I33-K35 PolarHBondContact O-N 3.05Å
36D97Very high94.8Very high77 Ų7773.9 Ų73.941%0.41236%0.362SS..Hα-helixtrans-74.7-35.9-174.3-65.9-12.9000112.4R32 I33 K63 M67R32-D36 WeakPolarHBondContact CG-OD2 3.24Å; R32-D36 WeakPolarHBondContact O-CB 3.02Å; R32-D36 VanDerWaalsContact O-CG 3.28Å; R32-D36 PolarHBondContact O-N 3.22Å; I33-D36 PolarHBondContact O-N 3.01Å; D36-K63 WeakPolarHBondContact O-CE 3.34Å; D36-K63 PolarHBondContact O-NZ 2.94Å; D36-M67 HydrophobicContact CB-CE 4.08Å; D36-M67 HydrophobicContact CB-SD 4.17Å
37A95.9Very high94.6Very high0 Ų071.4 Ų71.40%036%0.359CS..Hα-helixtrans-85.6-13.6176.200000113.9I33 A39 N60 K63 A64 M67I33-A37 WeakPolarHBondContact O-CB 3.34Å; I33-A37 PolarHBondContact O-N 3.27Å; A37-A39 HydrophobicContact CB-CB 4.36Å; A37-A39 PolarHBondContact O-N 2.95Å; A37-N60 WeakPolarHBondContact O-CB 3.2Å; A37-N60 VanDerWaalsContact O-CG 3.32Å; A37-K63 HydrophobicContact CB-CB 4.45Å; A37-K63 HydrophobicContact CB-CD 4.47Å; A37-K63 HydrophobicContact CB-CG 4.28Å; A37-A64 HydrophobicContact CB-CB 3.66Å; A37-M67 HydrophobicContact CB-CE 3.49Å; A37-M67 VanDerWaalsContact CB-CE 3.49Å
38Q96.5Very high94.3Very high143 Ų14379.4 Ų79.467%0.66839%0.386SS*.THydrogen-bonded Turntrans53.541.7-172.8-58175.3-12.400111.9Q34 N60Q34-Q38 WeakPolarHBondContact O-CA 3.31Å; Q34-Q38 PolarHBondContact O-N 2.99Å; Q38-N60 PolarHBondContact O-ND2 3.27Å; Q38-N60 VanDerWaalsContact O-ND2 3.08Å
39A95.4Very high94Very high5 Ų582.9 Ų82.94%0.04139%0.391CS..  trans-129.6144.2177.900000109.6Q34 A37 N60 A64Q34-A39 WeakPolarHBondContact CA-O 3.22Å; Q34-A39 WeakPolarHBondContact CB-O 3.31Å; Q34-A39 WeakPolarHBondContact CG-O 3.32Å; Q34-A39 PolarHBondContact O-N 2.92Å; A37-A39 HydrophobicContact CB-CB 4.36Å; A37-A39 PolarHBondContact O-N 2.95Å; A39-N60 HydrophobicContact CB-CB 4.3Å; A39-A64 HydrophobicContact CB-CB 3.95Å
40F96Very high93.8Very high122 Ų12282.2 Ų82.254%0.53539%0.387SS..EExtended strand (participates in β ladder)trans-84.8129.4175.2-176.6-108.7000109.4V42 L54 I55F40-V42 HydrophobicContact CD1-CG2 4.03Å; F40-V42 HydrophobicContact CE1-CG2 3.53Å; F40-V42 HydrophobicContact CZ-CG2 4.42Å; F40-L54 WeakPolarHBondContact O-CA 3.43Å; F40-I55 HydrophobicContact CB-CB 4.36Å; F40-I55 HydrophobicContact CD1-CB 4.46Å; F40-I55 HydrophobicContact CD1-CD1 4.23Å; F40-I55 PolarHBondContact N-O 3.05Å; F40-I55 PolarHBondContact O-N 3.46Å
41I96Very high93.6Very high5 Ų583.9 Ų83.93%0.02640%0.396CS..EExtended strand (participates in β ladder)trans-123.5112.8-177.5-52.7168.7000109.2I30 I33 Q34 T43 F52 V53 L54 A64 I68I30-I41 HydrophobicContact CD1-CB 4.2Å; I30-I41 HydrophobicContact CD1-CD1 3.75Å; I30-I41 HydrophobicContact CD1-CG2 3.91Å; I30-I41 HydrophobicContact CG1-CB 4.41Å; I30-I41 HydrophobicContact CG1-CG2 4.34Å; I33-I41 HydrophobicContact CB-CD1 4.49Å; I33-I41 HydrophobicContact CG2-CD1 3.56Å; Q34-I41 HydrophobicContact CG-CB 3.76Å; Q34-I41 HydrophobicContact CG-CD1 3.7Å; Q34-I41 HydrophobicContact CG-CG1 3.68Å; I41-T43 PolarHBondContact O-N 2.71Å; I41-F52 HydrophobicContact CG2-CB 4.48Å; I41-F52 HydrophobicContact CG2-CD1 3.92Å; I41-V53 WeakPolarHBondContact CA-O 3.12Å; I41-L54 HydrophobicContact CG1-CG 4.33Å; I41-L54 HydrophobicContact CG2-CD1 4.47Å; I41-A64 HydrophobicContact CD1-CB 4.2Å; I41-I68 HydrophobicContact CD1-CD1 4.34Å
42V94.8Very high93.5Very high61 Ų6177.2 Ų77.237%0.3737%0.367SS..EExtended strand (participates in β ladder)trans-78.5116.7173.4-1750000108.2F40 V53F40-V42 HydrophobicContact CD1-CG2 4.03Å; F40-V42 HydrophobicContact CE1-CG2 3.53Å; F40-V42 HydrophobicContact CZ-CG2 4.42Å; V42-V53 HydrophobicContact CB-CB 4.01Å; V42-V53 HydrophobicContact CG2-CB 4.26Å; V42-V53 PolarHBondContact N-O 3.37Å; V42-V53 PolarHBondContact O-N 2.8Å
43T93.1Very high93.4Very high53 Ų5372 Ų7233%0.32535%0.35SS..PPolyproline II helixtrans-83.5128.9174.3-57.80000109.2V23 I41 F52V23-T43 HydrophobicContact CG2-CG2 3.42Å; V23-T43 VanDerWaalsContact CG2-CG2 3.42Å; I41-T43 PolarHBondContact O-N 2.71Å; T43-F52 HydrophobicContact CG2-CE1 4.11Å
44P91.9Very high93.4Very high21 Ų2171.7 Ų71.714%0.13635%0.348CS..PPolyproline II helixtrans-66142.7176.427.2-33.6000111E49 F52P44-E49 VanDerWaalsContact CB-O 3.31Å; P44-E49 WeakPolarHBondContact CB-O 3.49Å; P44-F52 HydrophobicContact CG-CD2 4.26Å; P44-F52 HydrophobicContact CG-CE2 4.1Å; P44-F52 HydrophobicContact CG-CZ 4.39Å
45S89.7Confident93.3Very high68 Ų6870.9 Ų70.948%0.47635%0.345SS..PPolyproline II helixtrans-68156.5168.9-59.30000110.5D47 R48S45-D47 PolarHBondContact O-N 2.99Å; S45-D47 VanDerWaalsContact O-N 3.12Å; S45-R48 PolarHBondContact O-N 2.85Å; S45-R48 VanDerWaalsContact O-N 3.1Å
46K85.6Confident93.2Very high199 Ų19962.8 Ų62.887%0.86531%0.31SS*.THydrogen-bonded Turntrans-58.9-26-179.6-66.8-175178.7-177.20113.8
47D88.6Confident93.2Very high156 Ų15663.9 Ų63.983%0.83431%0.313SS*.THydrogen-bonded Turntrans-93.52.7-177-42.4-58.6000113.4S45S45-D47 PolarHBondContact O-N 2.99Å; S45-D47 VanDerWaalsContact O-N 3.12Å
48R88.5Confident93.1Very high178 Ų17866.6 Ų66.667%0.67233%0.331SS*.SBendtrans-114.5163.7-179.3-64.7-172.5-178-158.70.4110.8Y16 S45Y16-R48 WeakPolarHBondContact CE1-O 3.23Å; Y16-R48 PolarHBondContact OH-O 3.49Å; S45-R48 PolarHBondContact O-N 2.85Å; S45-R48 VanDerWaalsContact O-N 3.1Å
49E89.7Confident93.1Very high136 Ų13664.9 Ų64.964%0.63633%0.329SS*.  trans-50.9142.9170.8-63.9-174.4143.500111P44 I51P44-E49 VanDerWaalsContact CB-O 3.31Å; P44-E49 WeakPolarHBondContact CB-O 3.49Å; E49-I51 HydrophobicContact CB-CD1 3.85Å; E49-I51 HydrophobicContact CB-CG1 3.98Å; E49-I51 PolarHBondContact O-N 2.88Å; E49-I51 VanDerWaalsContact OE2-CD1 3.23Å; E49-I51 WeakPolarHBondContact OE2-CD1 3.38Å
50P91.7Very high93.1Very high5 Ų565.7 Ų65.73%0.03233%0.333CS..  trans-85.656.5-169.940.1-36.4000110I14 Y16 V19I14-P50 PolarHBondContact N-O 3.36Å; I14-P50 WeakPolarHBondContact O-CB 3.49Å; I14-P50 WeakPolarHBondContact O-CG 3.43Å; Y16-P50 HydrophobicContact CD1-CB 3.78Å; Y16-P50 HydrophobicContact CD1-CG 4.19Å; Y16-P50 HydrophobicContact CD2-CB 4.41Å; Y16-P50 HydrophobicContact CD2-CG 3.94Å; Y16-P50 HydrophobicContact CE1-CB 3.78Å; Y16-P50 HydrophobicContact CE1-CG 4.03Å; Y16-P50 HydrophobicContact CE2-CB 4.41Å; Y16-P50 HydrophobicContact CE2-CG 3.77Å; Y16-P50 HydrophobicContact CG-CB 4.12Å; Y16-P50 HydrophobicContact CG-CG 4.15Å; Y16-P50 VanDerWaalsContact CZ-CD 3.49Å; V19-P50 HydrophobicContact CG2-CB 3.79Å
51I92.6Very high93.2Very high40 Ų4059.9 Ų59.921%0.20531%0.308CS..EExtended strand (participates in β ladder)trans-104.3117.1-176.9-59173000108R11 I12 E49R11-I51 HydrophobicContact CB-CG2 3.93Å; R11-I51 HydrophobicContact CG-CG2 4.31Å; I12-I51 WeakPolarHBondContact O-CA 3.43Å; E49-I51 HydrophobicContact CB-CD1 3.85Å; E49-I51 HydrophobicContact CB-CG1 3.98Å; E49-I51 PolarHBondContact O-N 2.88Å; E49-I51 VanDerWaalsContact OE2-CD1 3.23Å; E49-I51 WeakPolarHBondContact OE2-CD1 3.38Å
52F93.9Very high93.1Very high0 Ų066.6 Ų66.60%034%0.337CS..EExtended strand (participates in β ladder)trans-83.4135.6169.4-72.3-100.9000109.1R11 I12 I14 V19 V22 V23 I41 T43 P44 L54R11-F52 WeakPolarHBondContact CA-O 3.46Å; I12-F52 HydrophobicContact CB-CB 4.47Å; I12-F52 PolarHBondContact N-O 3.46Å; I12-F52 PolarHBondContact O-N 2.96Å; I14-F52 HydrophobicContact CB-CD2 4.09Å; I14-F52 HydrophobicContact CB-CE2 3.97Å; I14-F52 HydrophobicContact CD1-CD2 3.39Å; I14-F52 HydrophobicContact CD1-CE2 3.53Å; I14-F52 HydrophobicContact CD1-CG 4.13Å; I14-F52 HydrophobicContact CD1-CZ 4.34Å; I14-F52 HydrophobicContact CG1-CD2 3.79Å; I14-F52 HydrophobicContact CG1-CE2 4.05Å; V19-F52 HydrophobicContact CG1-CE2 4.19Å; V19-F52 HydrophobicContact CG1-CZ 3.92Å; V19-F52 HydrophobicContact CG2-CE2 4.14Å; V22-F52 HydrophobicContact CB-CZ 4.37Å; V22-F52 HydrophobicContact CG1-CE1 4.17Å; V22-F52 HydrophobicContact CG1-CZ 4.06Å; V23-F52 HydrophobicContact CG2-CE1 4.18Å; V23-F52 HydrophobicContact CG2-CZ 4.09Å; I41-F52 HydrophobicContact CG2-CB 4.48Å; I41-F52 HydrophobicContact CG2-CD1 3.92Å; T43-F52 HydrophobicContact CG2-CE1 4.11Å; P44-F52 HydrophobicContact CG-CD2 4.26Å; P44-F52 HydrophobicContact CG-CE2 4.1Å; P44-F52 HydrophobicContact CG-CZ 4.39Å; F52-L54 HydrophobicContact CB-CD1 4.08Å
53V94.6Very high93.2Very high22 Ų2268.6 Ų68.613%0.13334%0.34CS..EExtended strand (participates in β ladder)trans-111117.6175.7-172.70000108.6M9 I41 V42 I55M9-V53 HydrophobicContact CG-CG1 3.47Å; M9-V53 VanDerWaalsContact CG-CG1 3.47Å; M9-V53 HydrophobicContact SD-CG1 3.59Å; M9-V53 VanDerWaalsContact SD-CG1 3.59Å; I41-V53 WeakPolarHBondContact CA-O 3.12Å; V42-V53 HydrophobicContact CB-CB 4.01Å; V42-V53 HydrophobicContact CG2-CB 4.26Å; V42-V53 PolarHBondContact N-O 3.37Å; V42-V53 PolarHBondContact O-N 2.8Å; V53-I55 HydrophobicContact CG1-CD1 4.39Å; V53-I55 HydrophobicContact CG1-CG1 4.18Å
54L95.3Very high93.3Very high0 Ų066 Ų660%033%0.325CS..EExtended strand (participates in β ladder)trans-101.5131.2-179.1-6966.7000108.4M9 E10 I12 F40 I41 F52 V61 A64 R65 I68M9-L54 VanDerWaalsContact CA-O 3.26Å; M9-L54 WeakPolarHBondContact CA-O 3.38Å; E10-L54 HydrophobicContact CB-CB 4.48Å; E10-L54 PolarHBondContact N-O 3.11Å; E10-L54 PolarHBondContact O-N 2.86Å; I12-L54 HydrophobicContact CB-CD1 4.25Å; I12-L54 HydrophobicContact CD1-CD1 3.63Å; I12-L54 HydrophobicContact CD1-CD2 3.6Å; I12-L54 HydrophobicContact CD1-CG 4.29Å; I12-L54 HydrophobicContact CG1-CD1 3.74Å; I12-L54 HydrophobicContact CG1-CD2 4.47Å; F40-L54 WeakPolarHBondContact O-CA 3.43Å; I41-L54 HydrophobicContact CG1-CG 4.33Å; I41-L54 HydrophobicContact CG2-CD1 4.47Å; F52-L54 HydrophobicContact CB-CD1 4.08Å; L54-V61 HydrophobicContact CB-CG1 3.92Å; L54-V61 HydrophobicContact CD2-CG1 4.26Å; L54-A64 HydrophobicContact CD2-CB 3.82Å; L54-R65 HydrophobicContact CD2-CB 4.16Å; L54-I68 HydrophobicContact CD2-CD1 4.46Å
55I95.5Very high93.4Very high27 Ų2768 Ų6814%0.13833%0.329CS..EExtended strand (participates in β ladder)trans-132.9123.2-177.3-55.9176.2000108.9L3 Y7 I8 M9 F40 V53L3-I55 HydrophobicContact CD2-CD1 4.47Å; L3-I55 HydrophobicContact CD2-CG2 3.57Å; Y7-I55 HydrophobicContact CD1-CG2 4.26Å; I8-I55 WeakPolarHBondContact O-CA 3.25Å; M9-I55 HydrophobicContact CG-CG1 4.33Å; F40-I55 HydrophobicContact CB-CB 4.36Å; F40-I55 HydrophobicContact CD1-CB 4.46Å; F40-I55 HydrophobicContact CD1-CD1 4.23Å; F40-I55 PolarHBondContact N-O 3.05Å; F40-I55 PolarHBondContact O-N 3.46Å; V53-I55 HydrophobicContact CG1-CD1 4.39Å; V53-I55 HydrophobicContact CG1-CG1 4.18Å
56G95.8Very high93.6Very high1 Ų172.8 Ų72.81%0.0134%0.337CS..EExtended strand (participates in β ladder)trans172.1-175.9-17700000112.7Y7 I8Y7-G56 CarbonylContact C-O 3.49Å; Y7-G56 VanDerWaalsContact CA-O 3.3Å; Y7-G56 WeakPolarHBondContact CA-O 3.47Å; Y7-G56 VanDerWaalsContact CD1-CA 3.4Å; I8-G56 PolarHBondContact N-O 3.49Å; I8-G56 PolarHBondContact O-N 3.1Å
57Q95.4Very high94Very high100 Ų10065.2 Ų65.247%0.46731%0.305SS..  trans-60.1149.3166.6-70.2-176.7-10.200110.6Y7 V59 N60 V61Y7-Q57 HydrophobicContact CE2-CG 4.37Å; Q57-V59 PolarHBondContact O-N 3.11Å; Q57-V59 VanDerWaalsContact O-N 3.15Å; Q57-N60 HydrophobicContact CB-CB 4.39Å; Q57-N60 WeakPolarHBondContact O-CA 3.47Å; Q57-N60 WeakPolarHBondContact O-CB 3.09Å; Q57-N60 PolarHBondContact O-N 3.25Å; Q57-V61 WeakPolarHBondContact O-CG2 3.24Å; Q57-V61 PolarHBondContact O-N 3.08Å
58P95.3Very high94.3Very high57 Ų5757.8 Ų57.837%0.3727%0.266SS..Hα-helixtrans-55.9-35.9-176.720.5-33.4000113.8G6 I8 K62G6-P58 WeakPolarHBondContact O-CD 3.35Å; I8-P58 HydrophobicContact CD1-CB 3.86Å; I8-P58 HydrophobicContact CG1-CB 4.28Å; I8-P58 HydrophobicContact CG2-CB 4.43Å; P58-K62 WeakPolarHBondContact O-CB 3.19Å; P58-K62 VanDerWaalsContact O-CG 3.31Å; P58-K62 WeakPolarHBondContact O-CG 3.42Å; P58-K62 PolarHBondContact O-N 3.32Å; P58-K62 VanDerWaalsContact O-N 3.12Å
59V95.9Very high94.4Very high106 Ų10651.5 Ų51.564%0.64224%0.244SC*.Hα-helixtrans-65.7-42.7176-177.10000111.3Q57 K63Q57-V59 PolarHBondContact O-N 3.11Å; Q57-V59 VanDerWaalsContact O-N 3.15Å; V59-K63 WeakPolarHBondContact O-CB 3.29Å; V59-K63 PolarHBondContact O-N 3.06Å
60N96.5Very high94.5Very high23 Ų2348.2 Ų48.212%0.12323%0.23CC..Hα-helixtrans-72-38.2-178.8-68.80.4000111.9A37 Q38 A39 Q57 K63 A64A37-N60 WeakPolarHBondContact O-CB 3.2Å; A37-N60 VanDerWaalsContact O-CG 3.32Å; Q38-N60 PolarHBondContact O-ND2 3.27Å; Q38-N60 VanDerWaalsContact O-ND2 3.08Å; A39-N60 HydrophobicContact CB-CB 4.3Å; Q57-N60 HydrophobicContact CB-CB 4.39Å; Q57-N60 WeakPolarHBondContact O-CA 3.47Å; Q57-N60 WeakPolarHBondContact O-CB 3.09Å; Q57-N60 PolarHBondContact O-N 3.25Å; N60-K63 WeakPolarHBondContact O-CB 3.49Å; N60-K63 PolarHBondContact O-N 2.85Å; N60-A64 WeakPolarHBondContact O-CB 3.27Å; N60-A64 PolarHBondContact O-N 2.91Å
61V96.1Very high94.4Very high0 Ų048.7 Ų48.70%023%0.232CC..Hα-helixtrans-66.3-45.7177.2173.40000110.7I8 E10 L54 Q57 K63 A64 R65I8-V61 HydrophobicContact CD1-CB 4.08Å; I8-V61 HydrophobicContact CD1-CG1 4.1Å; I8-V61 HydrophobicContact CD1-CG2 4.47Å; I8-V61 HydrophobicContact CG1-CB 4.05Å; I8-V61 HydrophobicContact CG1-CG1 4.27Å; I8-V61 HydrophobicContact CG1-CG2 3.89Å; E10-V61 HydrophobicContact CB-CG1 3.61Å; E10-V61 VanDerWaalsContact OE2-CG1 3.31Å; E10-V61 WeakPolarHBondContact OE2-CG1 3.46Å; L54-V61 HydrophobicContact CB-CG1 3.92Å; L54-V61 HydrophobicContact CD2-CG1 4.26Å; Q57-V61 WeakPolarHBondContact O-CG2 3.24Å; Q57-V61 PolarHBondContact O-N 3.08Å; V61-K63 VanDerWaalsContact C-N 3.31Å; V61-K63 PolarHBondContact O-N 3.22Å; V61-A64 PolarHBondContact O-N 2.88Å; V61-R65 WeakPolarHBondContact O-CB 3.28Å; V61-R65 PolarHBondContact O-N 3.06Å
62K94.8Very high94.3Very high146 Ų14646.8 Ų46.864%0.63522%0.222SC*.Hα-helixtrans-59.3-41.1172.7-72.8179.8-179.5-172.70112.1P58 R65 R66P58-K62 WeakPolarHBondContact O-CB 3.19Å; P58-K62 VanDerWaalsContact O-CG 3.31Å; P58-K62 WeakPolarHBondContact O-CG 3.42Å; P58-K62 PolarHBondContact O-N 3.32Å; P58-K62 VanDerWaalsContact O-N 3.12Å; K62-R65 PolarHBondContact O-N 2.99Å; K62-R66 PolarHBondContact O-N 3.38Å
63K96Very high94Very high102 Ų10250.9 Ų50.944%0.44324%0.241SC..Hα-helixtrans-62.6-45.9175-173.3178.9178.4-166.70111.7D36 A37 V59 N60 V61 R66 M67D36-K63 WeakPolarHBondContact O-CE 3.34Å; D36-K63 PolarHBondContact O-NZ 2.94Å; A37-K63 HydrophobicContact CB-CB 4.45Å; A37-K63 HydrophobicContact CB-CD 4.47Å; A37-K63 HydrophobicContact CB-CG 4.28Å; V59-K63 WeakPolarHBondContact O-CB 3.29Å; V59-K63 PolarHBondContact O-N 3.06Å; N60-K63 WeakPolarHBondContact O-CB 3.49Å; N60-K63 PolarHBondContact O-N 2.85Å; V61-K63 VanDerWaalsContact C-N 3.31Å; V61-K63 PolarHBondContact O-N 3.22Å; K63-R66 PolarHBondContact O-N 3.23Å; K63-M67 WeakPolarHBondContact O-CG 3.15Å; K63-M67 PolarHBondContact O-N 3.07Å
64A95.8Very high93.6Very high0 Ų057.7 Ų57.70%027%0.265CS..Hα-helixtrans-61.3-45.2177.700000112A37 A39 I41 L54 N60 V61 M67 I68A37-A64 HydrophobicContact CB-CB 3.66Å; A39-A64 HydrophobicContact CB-CB 3.95Å; I41-A64 HydrophobicContact CD1-CB 4.2Å; L54-A64 HydrophobicContact CD2-CB 3.82Å; N60-A64 WeakPolarHBondContact O-CB 3.27Å; N60-A64 PolarHBondContact O-N 2.91Å; V61-A64 PolarHBondContact O-N 2.88Å; A64-M67 PolarHBondContact O-N 2.77Å; A64-I68 WeakPolarHBondContact O-CG1 3.5Å; A64-I68 PolarHBondContact O-N 3.33Å; A64-I68 VanDerWaalsContact O-N 3.07Å
65R95Very high93.1Very high62 Ų6265.2 Ų65.223%0.23429%0.293CS..Hα-helixtrans-54.6-53174.3172.1163.6178.2-176.70.1111.7E10 I12 L54 V61 K62 M67 I68 E69 T84E10-R65 WeakPolarHBondContact OE1-CD 3.47Å; E10-R65 IonicContact OE1-CZ 3.55Å; E10-R65 IonicContact OE1-NE 3.57Å; E10-R65 IonicContact OE1-NH1 2.69Å; E10-R65 PolarHBondContact OE1-NH1 3.03Å; I12-R65 HydrophobicContact CD1-CB 3.73Å; I12-R65 HydrophobicContact CD1-CG 3.65Å; L54-R65 HydrophobicContact CD2-CB 4.16Å; V61-R65 WeakPolarHBondContact O-CB 3.28Å; V61-R65 PolarHBondContact O-N 3.06Å; K62-R65 PolarHBondContact O-N 2.99Å; R65-M67 VanDerWaalsContact C-N 3.28Å; R65-M67 PolarHBondContact O-N 3.4Å; R65-I68 WeakPolarHBondContact O-CB 3.43Å; R65-I68 PolarHBondContact O-N 2.87Å; R65-I68 VanDerWaalsContact O-N 3.07Å; R65-E69 HydrophobicContact CG-CG 4.47Å; R65-E69 VanDerWaalsContact CG-OE1 3.24Å; R65-E69 WeakPolarHBondContact CG-OE1 3.46Å; R65-E69 IonicContact CZ-OE1 3.6Å; R65-E69 IonicContact NE-OE1 3.64Å; R65-E69 PolarHBondContact NE-OE1 3.25Å; R65-E69 IonicContact NH2-OE1 3.68Å; R65-E69 WeakPolarHBondContact O-CG 3.33Å; R65-E69 PolarHBondContact O-N 2.8Å; R65-T84 PolarHBondContact NE-OG1 2.83Å; R65-T84 VanDerWaalsContact NE-OG1 3.15Å; R65-T84 PolarHBondContact NH1-OG1 2.92Å; R65-T84 PolarHBondContact NH2-OG1 3.23Å
66R93.9Very high92.4Very high168 Ų16865.4 Ų65.463%0.63430%0.295SS*.Hα-helixtrans-58.4-39.1179-174.6176.8-179.4178.61.7112.5K62 K63 E69 L70K62-R66 PolarHBondContact O-N 3.38Å; K63-R66 PolarHBondContact O-N 3.23Å; R66-E69 PolarHBondContact O-N 3.23Å; R66-L70 HydrophobicContact CG-CD1 3.93Å; R66-L70 HydrophobicContact CG-CG 4.29Å; R66-L70 WeakPolarHBondContact O-CB 3.5Å; R66-L70 VanDerWaalsContact O-CG 3.24Å; R66-L70 WeakPolarHBondContact O-CG 3.41Å; R66-L70 PolarHBondContact O-N 2.91Å
67M93.9Very high91Very high41 Ų4173.6 Ų73.620%0.20233%0.333CS..Hα-helixtrans-68.8-34.1178.3-68.7-171.9-30.200112.7I33 D36 A37 K63 A64 R65 H71I33-M67 HydrophobicContact CB-CE 3.86Å; I33-M67 HydrophobicContact CG1-CE 4.21Å; I33-M67 HydrophobicContact CG2-CB 4.27Å; I33-M67 HydrophobicContact CG2-CE 3.42Å; I33-M67 VanDerWaalsContact CG2-CE 3.42Å; I33-M67 WeakPolarHBondContact O-CE 3.35Å; D36-M67 HydrophobicContact CB-CE 4.08Å; D36-M67 HydrophobicContact CB-SD 4.17Å; A37-M67 HydrophobicContact CB-CE 3.49Å; A37-M67 VanDerWaalsContact CB-CE 3.49Å; K63-M67 WeakPolarHBondContact O-CG 3.15Å; K63-M67 PolarHBondContact O-N 3.07Å; A64-M67 PolarHBondContact O-N 2.77Å; R65-M67 VanDerWaalsContact C-N 3.28Å; R65-M67 PolarHBondContact O-N 3.4Å; M67-H71 WeakPolarHBondContact O-CB 3.41Å; M67-H71 PolarHBondContact O-N 2.86Å
68I93.8Very high89.2Confident0 Ų074.8 Ų74.80%034%0.342CS..Hα-helixtrans-67-47.6173.8-67.9168.6000110I14 V22 I33 I41 L54 A64 R65 H71 I72I14-I68 HydrophobicContact CD1-CG2 3.49Å; I14-I68 VanDerWaalsContact CD1-CG2 3.49Å; V22-I68 HydrophobicContact CG1-CG1 4.41Å; V22-I68 HydrophobicContact CG1-CG2 4.12Å; V22-I68 HydrophobicContact CG2-CG2 4.28Å; I33-I68 HydrophobicContact CD1-CG1 4.4Å; I33-I68 HydrophobicContact CG2-CG1 4.29Å; I41-I68 HydrophobicContact CD1-CD1 4.34Å; L54-I68 HydrophobicContact CD2-CD1 4.46Å; A64-I68 WeakPolarHBondContact O-CG1 3.5Å; A64-I68 PolarHBondContact O-N 3.33Å; A64-I68 VanDerWaalsContact O-N 3.07Å; R65-I68 WeakPolarHBondContact O-CB 3.43Å; R65-I68 PolarHBondContact O-N 2.87Å; R65-I68 VanDerWaalsContact O-N 3.07Å; I68-H71 PolarHBondContact O-N 3.49Å; I68-I72 HydrophobicContact CG2-CD1 4.01Å; I68-I72 WeakPolarHBondContact O-CG1 3.48Å; I68-I72 PolarHBondContact O-N 3.41Å
69E91.5Very high87.1Confident46 Ų4677.6 Ų77.622%0.21535%0.349CS..Hα-helixtrans-58.2-53.1177.8-72.1166.1176.200111.4R65 R66 H71 I72 E73 V82R65-E69 HydrophobicContact CG-CG 4.47Å; R65-E69 VanDerWaalsContact CG-OE1 3.24Å; R65-E69 WeakPolarHBondContact CG-OE1 3.46Å; R65-E69 IonicContact CZ-OE1 3.6Å; R65-E69 IonicContact NE-OE1 3.64Å; R65-E69 PolarHBondContact NE-OE1 3.25Å; R65-E69 IonicContact NH2-OE1 3.68Å; R65-E69 WeakPolarHBondContact O-CG 3.33Å; R65-E69 PolarHBondContact O-N 2.8Å; R66-E69 PolarHBondContact O-N 3.23Å; E69-H71 PolarHBondContact O-N 3.39Å; E69-I72 WeakPolarHBondContact O-CB 3.42Å; E69-I72 PolarHBondContact O-N 3.33Å; E69-E73 WeakPolarHBondContact O-CG 3.31Å; E69-E73 PolarHBondContact O-N 3.48Å; E69-V82 HydrophobicContact CG-CB 4Å; E69-V82 HydrophobicContact CG-CG1 4.43Å; E69-V82 HydrophobicContact CG-CG2 4.16Å
70L90.6Very high85Confident66 Ų6673.9 Ų73.935%0.34633%0.329SS..Hα-helixtrans-59.5-34.2176.9-73.4172.4000112.8R66 R74R66-L70 HydrophobicContact CG-CD1 3.93Å; R66-L70 HydrophobicContact CG-CG 4.29Å; R66-L70 WeakPolarHBondContact O-CB 3.5Å; R66-L70 VanDerWaalsContact O-CG 3.24Å; R66-L70 WeakPolarHBondContact O-CG 3.41Å; R66-L70 PolarHBondContact O-N 2.91Å; L70-R74 WeakPolarHBondContact O-CB 3.08Å; L70-R74 PolarHBondContact O-N 3.04Å
71H90.8Very high83Confident15 Ų1575.6 Ų75.67%0.06934%0.343CS..Hα-helixtrans-71.1-36178-175.485.3000111.7L21 N29 M67 I68 E69 R75L21-H71 PolarHBondContact O-NE2 3.5Å; N29-H71 PolarHBondContact ND2-CD2 2.91Å; N29-H71 PolarHBondContact ND2-CE1 2.96Å; N29-H71 PolarHBondContact ND2-ND1 3.23Å; N29-H71 PolarHBondContact ND2-NE2 3.11Å; N29-H71 VanDerWaalsContact ND2-NE2 3.11Å; M67-H71 WeakPolarHBondContact O-CB 3.41Å; M67-H71 PolarHBondContact O-N 2.86Å; I68-H71 PolarHBondContact O-N 3.49Å; E69-H71 PolarHBondContact O-N 3.39Å; H71-R75 WeakPolarHBondContact O-CB 3.5Å; H71-R75 WeakPolarHBondContact O-CG 3.41Å; H71-R75 PolarHBondContact O-N 3.24Å
72I90.3Very high81.2Confident0 Ų076.2 Ų76.20%035%0.346CS..Hα-helixtrans-65.6-56.2172.1-70.2165000109I14 L18 V22 I68 E69 R74 R75 T76 A80 V82I14-I72 HydrophobicContact CD1-CD1 4.17Å; I14-I72 HydrophobicContact CG2-CD1 4.09Å; L18-I72 HydrophobicContact CD1-CG2 3.91Å; V22-I72 HydrophobicContact CG2-CD1 3.88Å; V22-I72 HydrophobicContact CG2-CG1 3.7Å; I68-I72 HydrophobicContact CG2-CD1 4.01Å; I68-I72 WeakPolarHBondContact O-CG1 3.48Å; I68-I72 PolarHBondContact O-N 3.41Å; E69-I72 WeakPolarHBondContact O-CB 3.42Å; E69-I72 PolarHBondContact O-N 3.33Å; I72-R74 VanDerWaalsContact C-N 3.32Å; I72-R74 PolarHBondContact O-N 3.04Å; I72-R75 CarbonylContact O-C 3.56Å; I72-R75 PolarHBondContact O-N 2.95Å; I72-T76 HydrophobicContact CG2-CG2 4.19Å; I72-T76 WeakPolarHBondContact CG2-OG1 3.48Å; I72-T76 WeakPolarHBondContact O-CB 3.42Å; I72-T76 PolarHBondContact O-N 3.4Å; I72-T76 PolarHBondContact O-OG1 2.92Å; I72-A80 HydrophobicContact CG2-CB 3.93Å; I72-V82 HydrophobicContact CD1-CG2 3.44Å; I72-V82 VanDerWaalsContact CD1-CG2 3.44Å
73E86.4Confident79.5Confident86 Ų8673.7 Ų73.740%0.40234%0.339SS..Hα-helixtrans-53-45.9-179-71.1172.1179.200113.1E69 R75 T76E69-E73 WeakPolarHBondContact O-CG 3.31Å; E69-E73 PolarHBondContact O-N 3.48Å; E73-R75 PolarHBondContact O-N 3.18Å; E73-T76 CarbonylContact O-C 3.57Å; E73-T76 VanDerWaalsContact O-O 3.13Å
74R86.7Confident77.5Confident166 Ų16669.9 Ų69.963%0.62632%0.324SS*.Hα-helixtrans-63.9-26.4-179.3-171.1-178.6-57.8164.14.6113.1L70 I72L70-R74 WeakPolarHBondContact O-CB 3.08Å; L70-R74 PolarHBondContact O-N 3.04Å; I72-R74 VanDerWaalsContact C-N 3.32Å; I72-R74 PolarHBondContact O-N 3.04Å
75R85.5Confident75.1Confident158 Ų15875.6 Ų75.660%0.59635%0.354SS*.Hα-helixtrans-105.4-26.4-173.1-67.2-70.1-168.5156.50.3112.4L21 H71 I72 E73L21-R75 HydrophobicContact CD1-CB 3.86Å; L21-R75 HydrophobicContact CD1-CG 3.95Å; L21-R75 HydrophobicContact CD2-CB 3.63Å; L21-R75 HydrophobicContact CD2-CG 4.41Å; L21-R75 HydrophobicContact CG-CB 4.08Å; L21-R75 HydrophobicContact CG-CG 4.35Å; H71-R75 WeakPolarHBondContact O-CB 3.5Å; H71-R75 WeakPolarHBondContact O-CG 3.41Å; H71-R75 PolarHBondContact O-N 3.24Å; I72-R75 CarbonylContact O-C 3.56Å; I72-R75 PolarHBondContact O-N 2.95Å; E73-R75 PolarHBondContact O-N 3.18Å
76T80.9Confident72.7Confident30 Ų3077.4 Ų77.418%0.18437%0.373CS..  trans-108.588.9174.666.40000107.1L18 L21 I72 E73 N78L18-T76 HydrophobicContact CD2-CG2 3.43Å; L18-T76 VanDerWaalsContact CD2-CG2 3.43Å; L21-T76 HydrophobicContact CD2-CG2 3.96Å; I72-T76 HydrophobicContact CG2-CG2 4.19Å; I72-T76 WeakPolarHBondContact CG2-OG1 3.48Å; I72-T76 WeakPolarHBondContact O-CB 3.42Å; I72-T76 PolarHBondContact O-N 3.4Å; I72-T76 PolarHBondContact O-OG1 2.92Å; E73-T76 CarbonylContact O-C 3.57Å; E73-T76 VanDerWaalsContact O-O 3.13Å; T76-N78 PolarHBondContact O-N 3.35Å
77H66.3Low70.1Confident174 Ų17473.9 Ų73.981%0.80637%0.373SS*.SBendtrans-59.715.6176.6-64.8-71.2000114.7
78N56Low67.1Low124 Ų12480.7 Ų80.766%0.66341%0.409SS*.SBendtrans-162.5120.8176.6-96.8-42.6000111.5T76T76-N78 PolarHBondContact O-N 3.35Å
79K52.3Low64.3Low117 Ų11785 Ų8551%0.50944%0.435SS..  trans61.753.9141-49.9-177.6-177.3-169.20119.6
80A52.4Low61.6Low27 Ų2790 Ų9022%0.22347%0.469CS..  trans-122.989.6156.700000109.7L18 I72 V82L18-A80 HydrophobicContact CD1-CB 3.38Å; I72-A80 HydrophobicContact CG2-CB 3.93Å; A80-V82 PolarHBondContact O-N 3.29Å
81C53.4Low59.2Low60 Ų6090.4 Ų90.441%0.40547%0.474SS..  trans-66.4124165.1-179.60000108I83C81-I83 PolarHBondContact O-N 3.04Å
82V59.8Low57Low12 Ų1293.4 Ų93.47%0.07350%0.497CS..  trans-84111.3176.4175.80000107.5I12 I14 E69 I72 A80 T84I12-V82 HydrophobicContact CG2-CG1 3.02Å; I14-V82 HydrophobicContact CG1-CG1 4.4Å; E69-V82 HydrophobicContact CG-CB 4Å; E69-V82 HydrophobicContact CG-CG1 4.43Å; E69-V82 HydrophobicContact CG-CG2 4.16Å; I72-V82 HydrophobicContact CD1-CG2 3.44Å; I72-V82 VanDerWaalsContact CD1-CG2 3.44Å; A80-V82 PolarHBondContact O-N 3.29Å; V82-T84 PolarHBondContact O-N 3.16Å
83I58.4Low54.8Low94 Ų94100.3 Ų100.348%0.48253%0.533SS..EExtended strand (participates in β ladder)trans-86.9109.8179.4-53.7174.2000107.8H13 C81 L85H13-I83 PolarHBondContact N-O 3.49Å; C81-I83 PolarHBondContact O-N 3.04Å; I83-L85 HydrophobicContact CG2-CD2 3.87Å; I83-L85 HydrophobicContact CG2-CG 4.22Å
84T53.7Low52.8Low22 Ų22104.5 Ų104.514%0.13555%0.55CS.*EExtended strand (participates in β ladder)trans-84.2117.6158.3-62.70000107.4E10 R11 R65 V82E10-T84 HydrophobicContact CG-CG2 3.65Å; E10-T84 WeakPolarHBondContact OE1-CG2 3.38Å; R11-T84 WeakPolarHBondContact O-CG2 3.21Å; R65-T84 PolarHBondContact NE-OG1 2.83Å; R65-T84 VanDerWaalsContact NE-OG1 3.15Å; R65-T84 PolarHBondContact NH1-OG1 2.92Å; R65-T84 PolarHBondContact NH2-OG1 3.23Å; V82-T84 PolarHBondContact O-N 3.16Å
85L46.2Very low50.7Low120 Ų120102.8 Ų102.863%0.62855%0.549SS*.PPolyproline II helixtrans-80.7123.8171-65.1169.1000107.8I83I83-L85 HydrophobicContact CG2-CD2 3.87Å; I83-L85 HydrophobicContact CG2-CG 4.22Å
86P44.5Very low48.5Very low99 Ų9997.8 Ų97.864%0.64354%0.542SS*.PPolyproline II helixtrans-60.6145.4168.426-31.8000109.2L88P86-L88 PolarHBondContact O-N 3Å
87P39.5Very low46.6Very low95 Ų95100.3 Ų100.362%0.61756%0.557SS**PPolyproline II helixtrans-55.2131.4167.5-18.430.1000109.3T89P87-T89 HydrophobicContact CB-CG2 4.49Å; P87-T89 PolarHBondContact O-N 3.36Å
88L30.8Very low45.2Very low184 Ų18498.9 Ų98.996%0.96355%0.551SS**SBendtrans-65.881.9171.2-74.1164.2000108.9P86P86-L88 PolarHBondContact O-N 3Å
89T34.4Very low44.4Very low90 Ų9096.4 Ų96.455%0.55255%0.548SS*.SBendtrans-141100.2173.954.80000108P87 V91P87-T89 HydrophobicContact CB-CG2 4.49Å; P87-T89 PolarHBondContact O-N 3.36Å; T89-V91 WeakPolarHBondContact O-CG2 3.42Å; T89-V91 PolarHBondContact O-N 3.34Å
90T33.7Very low43.9Very low151 Ų15196 Ų9693%0.92655%0.551SS**  trans19.974.615760.20000115.4
91V40.9Very low43.2Very low75 Ų75100.4 Ų100.446%0.45557%0.57SS.*  trans-104.3126.8174-162.90000107.9T89 E95T89-V91 WeakPolarHBondContact O-CG2 3.42Å; T89-V91 PolarHBondContact O-N 3.34Å; V91-E95 HydrophobicContact CG1-CB 3.41Å; V91-E95 VanDerWaalsContact CG1-CB 3.41Å; V91-E95 HydrophobicContact CG1-CG 4.33Å; V91-E95 VanDerWaalsContact CG1-OE2 3.31Å; V91-E95 WeakPolarHBondContact CG1-OE2 3.49Å
92S44Very low42.5Very low77 Ų77102.2 Ų102.254%0.53858%0.584SS.*  trans-53.9140.6175.8-173.70000110.5K94 E95S92-K94 PolarHBondContact O-N 3.36Å; S92-E95 PolarHBondContact O-N 2.97Å
93D44.3Very low41.4Very low145 Ų145104.7 Ų104.778%0.77560%0.601SS**THydrogen-bonded Turntrans-51.2-10-171.3-56.1-51.9000116T97D93-T97 PolarHBondContact O-OG1 3.07Å
94K45.4Very low40.4Very low174 Ų174108 Ų10876%0.75761%0.614SS**THydrogen-bonded Turntrans-87.4-27.5-178.2-49.4-174.2-177-1770113.4S92 T97S92-K94 PolarHBondContact O-N 3.36Å; K94-T97 PolarHBondContact O-OG1 3.45Å
95E42.5Very low39.6Very low130 Ų130109.1 Ų109.161%0.60762%0.623SS**Hα-helixtrans-91.7-22.7-178.7-109177.3141.900112.6V91 S92 T97 A99V91-E95 HydrophobicContact CG1-CB 3.41Å; V91-E95 VanDerWaalsContact CG1-CB 3.41Å; V91-E95 HydrophobicContact CG1-CG 4.33Å; V91-E95 VanDerWaalsContact CG1-OE2 3.31Å; V91-E95 WeakPolarHBondContact CG1-OE2 3.49Å; S92-E95 PolarHBondContact O-N 2.97Å; E95-T97 VanDerWaalsContact C-N 3.31Å; E95-T97 PolarHBondContact O-N 3.07Å; E95-A99 PolarHBondContact O-N 3.05Å
96A38.8Very low39.2Very low53 Ų53111 Ų11144%0.43863%0.628SS.*Hα-helixtrans-68.7-29.5179.100000112.9
97T40.6Very low38.5Very low83 Ų83112.7 Ų112.751%0.50963%0.632SS.*Hα-helixtrans-73.2-40.3178.714.90000111.9D93 K94 E95 L101D93-T97 PolarHBondContact O-OG1 3.07Å; K94-T97 PolarHBondContact O-OG1 3.45Å; E95-T97 VanDerWaalsContact C-N 3.31Å; E95-T97 PolarHBondContact O-N 3.07Å; T97-L101 WeakPolarHBondContact O-CD1 3.44Å; T97-L101 PolarHBondContact O-N 3.48Å
98E38.5Very low38.1Very low144 Ų144110.2 Ų110.267%0.67362%0.619SS**Hα-helixtrans-72.6-32.8177.2-71.4-166.3143.300113.2L100 L101 S102E98-L100 VanDerWaalsContact C-N 3.29Å; E98-L100 PolarHBondContact O-N 3.25Å; E98-L101 PolarHBondContact O-N 3.28Å; E98-S102 PolarHBondContact O-N 3.05Å; E98-S102 VanDerWaalsContact O-N 3.16Å
99A37.8Very low38.1Very low73 Ų73105.6 Ų105.660%0.60359%0.593SS**Hα-helixtrans-66.8-28.1178.500000113.4E95E95-A99 PolarHBondContact O-N 3.05Å
100L41.8Very low37.8Very low107 Ų107108.5 Ų108.556%0.5660%0.6SS**Hα-helixtrans-80.4-32.4175.3-73.5168.2000112.4E98 S103E98-L100 VanDerWaalsContact C-N 3.29Å; E98-L100 PolarHBondContact O-N 3.25Å; L100-S103 PolarHBondContact O-OG 3.47Å
101L37.8Very low37.7Very low121 Ų121109.1 Ų109.163%0.63459%0.585SS**Hα-helixtrans-79.7-22.1-178.6-78.3159.6000113.9T97 E98 S103T97-L101 WeakPolarHBondContact O-CD1 3.44Å; T97-L101 PolarHBondContact O-N 3.48Å; E98-L101 PolarHBondContact O-N 3.28Å; L101-S103 VanDerWaalsContact C-N 3.33Å; L101-S103 PolarHBondContact O-N 2.79Å
102S39.5Very low37.1Very low98 Ų98110.7 Ų110.769%0.68560%0.6SS**THydrogen-bonded Turntrans-83.1-2.3-177.8-169.30000114.7E98 H104E98-S102 PolarHBondContact O-N 3.05Å; E98-S102 VanDerWaalsContact O-N 3.16Å; S102-H104 VanDerWaalsContact C-N 3.26Å; S102-H104 PolarHBondContact O-N 3.41Å
103S37.1Very low36.5Very low64 Ų64112 Ų11245%0.44860%0.604SS.*  trans-72.285.4171.464.80000110L100 L101 C105L100-S103 PolarHBondContact O-OG 3.47Å; L101-S103 VanDerWaalsContact C-N 3.33Å; L101-S103 PolarHBondContact O-N 2.79Å; S103-C105 PolarHBondContact O-N 2.83Å
104H36.5Very low35.9Very low162 Ų162111.1 Ų111.175%0.7560%0.599SS**  trans-71.270.2179.1-138.3-31.4000109.8S102 H106S102-H104 VanDerWaalsContact C-N 3.26Å; S102-H104 PolarHBondContact O-N 3.41Å; H104-H106 PolarHBondContact O-N 3.45Å; H104-H106 VanDerWaalsContact O-N 3.07Å
105C36.9Very low35.3Very low46 Ų46107.6 Ų107.631%0.31159%0.591SS.*  trans-74.588.9170-71.10000108.3S103 D107S103-C105 PolarHBondContact O-N 2.83Å; C105-D107 PolarHBondContact O-N 3.16Å
106H37.6Very low34.7Very low159 Ų159109.2 Ų109.274%0.73660%0.599SS**SBendtrans-69.3102.3167.9-119.8-50.9000107.7H104H104-H106 PolarHBondContact O-N 3.45Å; H104-H106 VanDerWaalsContact O-N 3.07Å
107D30.3Very low34.3Very low136 Ų136113.7 Ų113.773%0.72762%0.616SS**SBendtrans82.619.3163.3-135.88.2000119C105 R168C105-D107 PolarHBondContact O-N 3.16Å; D107-R168 IonicContact OD1-NH1 2.79Å
108A31.6Very low34.1Very low43 Ų43118.1 Ų118.136%0.35563%0.631SS.*  trans-121.7116.417600000114Q110A108-Q110 PolarHBondContact O-N 3.31Å
109Q29.6Very low33.7Very low87 Ų87120.2 Ų120.241%0.40764%0.64SS.*  trans-59.790176.1-58.4168-60.200113
110Q28.3Very low33.4Very low150 Ų150122.1 Ų122.170%0.70164%0.639SS**  trans-168.1107.7151-126.2171.5-44.900110.7A108A108-Q110 PolarHBondContact O-N 3.31Å
111W31.5Very low32.5Very low164 Ų164122.8 Ų122.862%0.62165%0.648SS**  trans-110.2112.4171.7-65.762.6000107.4V113 V198W111-V113 HydrophobicContact CB-CG2 4.47Å; W111-V113 PolarHBondContact O-N 3.34Å; W111-V198 HydrophobicContact CH2-CG2 3.59Å; W111-V198 HydrophobicContact CZ2-CG2 4.09Å; W111-V198 HydrophobicContact CZ3-CG2 4.36Å
112S29.4Very low32Very low108 Ų108124.2 Ų124.276%0.75565%0.65SS**  trans-87.287.9162.343.20000107.2L114S112-L114 PolarHBondContact O-N 2.93Å
113V31.6Very low31.3Very low104 Ų104128.8 Ų128.863%0.6366%0.66SS**  trans-77.6108.4165-179.10000106.2W111 V115W111-V113 HydrophobicContact CB-CG2 4.47Å; W111-V113 PolarHBondContact O-N 3.34Å; V113-V115 HydrophobicContact CB-CG2 4.31Å; V113-V115 HydrophobicContact CG1-CG2 3.54Å; V113-V115 PolarHBondContact O-N 3Å
114L30.4Very low30.8Very low128 Ų128132 Ų13267%0.6768%0.677SS**  trans-72.487.5165.4-166.580.8000106.6S112 Q116S112-L114 PolarHBondContact O-N 2.93Å; L114-Q116 HydrophobicContact CD2-CG 4.21Å; L114-Q116 HydrophobicContact CG-CG 4.39Å; L114-Q116 PolarHBondContact O-N 3.48Å; L114-Q116 VanDerWaalsContact O-N 3.09Å
115V33.1Very low30.2Very low99 Ų99133.8 Ų133.860%0.668%0.683SS**  trans-74.795.3169.6-1770000106.3V113V113-V115 HydrophobicContact CB-CG2 4.31Å; V113-V115 HydrophobicContact CG1-CG2 3.54Å; V113-V115 PolarHBondContact O-N 3Å
116Q30.2Very low29.7Very low165 Ų165141.9 Ų141.977%0.77171%0.707SS**  trans-75.5124162.2-79.8-178.9-43.700107.9L114L114-Q116 HydrophobicContact CD2-CG 4.21Å; L114-Q116 HydrophobicContact CG-CG 4.39Å; L114-Q116 PolarHBondContact O-N 3.48Å; L114-Q116 VanDerWaalsContact O-N 3.09Å
117D30.2Very low29.2Very low147 Ų147140 Ų14079%0.78671%0.71SS**SBendtrans8.6115.4171.1-79.4-34.9000118.7
118Q35.5Very low29.2Very low176 Ų176138.8 Ų138.882%0.82271%0.708SS**  trans-175.7109.1134.3-97.7156.364.200109.8L120Q118-L120 PolarHBondContact O-N 3.27Å
119H30.9Very low29.2Very low187 Ų187139.9 Ų139.987%0.86672%0.723SS**  trans15.869.7159.1-87.9-90.5000118.9T121H119-T121 PolarHBondContact O-N 3.45Å
120L30.7Very low29.3Very low113 Ų113142.9 Ų142.959%0.59274%0.742SS**  trans-90.684.8162.8-90140.6000110.2Q118 F122Q118-L120 PolarHBondContact O-N 3.27Å; L120-F122 HydrophobicContact CB-CD2 4.41Å; L120-F122 HydrophobicContact CB-CE2 3.75Å; L120-F122 HydrophobicContact CB-CZ 4.08Å; L120-F122 HydrophobicContact CD2-CE1 3.98Å; L120-F122 HydrophobicContact CD2-CE2 4.13Å; L120-F122 HydrophobicContact CD2-CZ 3.57Å; L120-F122 HydrophobicContact CG-CE2 4.5Å; L120-F122 HydrophobicContact CG-CZ 4.35Å; L120-F122 PolarHBondContact O-N 2.97Å
121T24.8Very low29.4Very low122 Ų122143.3 Ų143.375%0.74875%0.749SS**  trans-76.8106.6165.223.20000110H119H119-T121 PolarHBondContact O-N 3.45Å
122F26Very low29.4Very low150 Ų150142.1 Ų142.166%0.65876%0.76SS**  trans-89.4111.8171.4-62.7-83.8000110.1L120 T124L120-F122 HydrophobicContact CB-CD2 4.41Å; L120-F122 HydrophobicContact CB-CE2 3.75Å; L120-F122 HydrophobicContact CB-CZ 4.08Å; L120-F122 HydrophobicContact CD2-CE1 3.98Å; L120-F122 HydrophobicContact CD2-CE2 4.13Å; L120-F122 HydrophobicContact CD2-CZ 3.57Å; L120-F122 HydrophobicContact CG-CE2 4.5Å; L120-F122 HydrophobicContact CG-CZ 4.35Å; L120-F122 PolarHBondContact O-N 2.97Å; F122-T124 PolarHBondContact O-N 3.16Å
123Q24.1Very low29.3Very low194 Ų194140.2 Ų140.291%0.90776%0.758SS**  trans-78.3117.7170.6-69.9-169.7-8.800110.1K125Q123-K125 PolarHBondContact O-N 3.09Å
124T27.5Very low29.2Very low132 Ų132140.5 Ų140.581%0.8177%0.765SS**  trans-81.5110.6170.278.20000108.7F122 R126F122-T124 PolarHBondContact O-N 3.16Å; T124-R126 PolarHBondContact O-N 3.05Å; T124-R126 VanDerWaalsContact O-N 3.13Å
125K24.6Very low29.1Very low200 Ų200142.5 Ų142.587%0.8778%0.776SS**  trans-76.499.6170.2-160.1173.9-175.1176.20108.3Q123 C127Q123-K125 PolarHBondContact O-N 3.09Å; K125-C127 PolarHBondContact O-N 3.13Å
126R25.1Very low29.1Very low215 Ų215142.2 Ų142.281%0.81177%0.774SS**  trans-71.3106.8172.6-173.9-175.7-86.9177.7-5.6107.8T124 T128T124-R126 PolarHBondContact O-N 3.05Å; T124-R126 VanDerWaalsContact O-N 3.13Å; R126-T128 HydrophobicContact CG-CG2 4.4Å; R126-T128 PolarHBondContact O-N 3.46Å; R126-T128 VanDerWaalsContact O-N 3.08Å
127C27.7Very low28.9Very low120 Ų120142.1 Ų142.181%0.81178%0.779SS**  trans-70100.2166.4-68.80000108.4K125 G129K125-C127 PolarHBondContact O-N 3.13Å; C127-G129 PolarHBondContact O-N 3.04Å
128T31.1Very low28.6Very low110 Ų110143.9 Ų143.968%0.67578%0.78SS**  trans-77.690.7163.549.50000107.5R126 N130R126-T128 HydrophobicContact CG-CG2 4.4Å; R126-T128 PolarHBondContact O-N 3.46Å; R126-T128 VanDerWaalsContact O-N 3.08Å; T128-N130 PolarHBondContact O-N 2.89Å
129G30.1Very low28.2Very low66 Ų66144.5 Ų144.568%0.6878%0.783SS**  trans-75105.4163.200000107.5C127 D131C127-G129 PolarHBondContact O-N 3.04Å; G129-D131 PolarHBondContact O-N 3.36Å
130N32.9Very low28.1Very low151 Ų151140.9 Ų140.981%0.80778%0.777SS**  trans-73.7115164.6-77.2-6.6000107.1T128 T132T128-N130 PolarHBondContact O-N 2.89Å; N130-T132 PolarHBondContact O-N 3.37Å; N130-T132 VanDerWaalsContact O-N 3.07Å
131D29.8Very low27.9Very low158 Ų158138.8 Ų138.885%0.84578%0.776SS**  trans-56.6105.6168.3-67.8-47.2000109.5G129G129-D131 PolarHBondContact O-N 3.36Å
132T31.4Very low28.2Very low139 Ų139140 Ų14085%0.85378%0.778SS**  trans-171.8115140.95.30000110.9N130N130-T132 PolarHBondContact O-N 3.37Å; N130-T132 VanDerWaalsContact O-N 3.07Å
133G26.7Very low28.5Very low69 Ų69140.7 Ų140.771%0.71179%0.789SS**  trans90.4136.4143.600000117.4
134S30.8Very low28.9Very low109 Ų109138.3 Ų138.376%0.76278%0.781SS**  trans84.1102.116476.70000117.4V136S134-V136 PolarHBondContact O-N 3.41Å
135N27Very low29.2Very low170 Ų170137.4 Ų137.491%0.90978%0.777SS**  trans-31.4104.3146.3-100.2-39.9000111.6
136V33.8Very low29.5Very low93 Ų93137.7 Ų137.756%0.56478%0.778SS**  trans-143.8115155.2-163.10000107.8S134 F138S134-V136 PolarHBondContact O-N 3.41Å; V136-F138 HydrophobicContact CB-CD2 4.25Å; V136-F138 HydrophobicContact CB-CE2 3.96Å; V136-F138 HydrophobicContact CG1-CD2 4.35Å; V136-F138 HydrophobicContact CG1-CE2 3.94Å; V136-F138 PolarHBondContact O-N 2.95Å
137N25.4Very low30.1Very low164 Ų164130.9 Ų130.988%0.87777%0.768SS**  trans-53.6106.7169.1-77.1-38.2000109.7
138F25.8Very low30.3Very low183 Ų183130.2 Ų130.280%0.80376%0.764SS**  trans-101.8102.7165-84.2-81000109.6V136 C140V136-F138 HydrophobicContact CB-CD2 4.25Å; V136-F138 HydrophobicContact CB-CE2 3.96Å; V136-F138 HydrophobicContact CG1-CD2 4.35Å; V136-F138 HydrophobicContact CG1-CE2 3.94Å; V136-F138 PolarHBondContact O-N 2.95Å; F138-C140 VanDerWaalsContact C-N 3.35Å; F138-C140 PolarHBondContact O-N 2.9Å
139H25.9Very low30.4Very low189 Ų189129.9 Ų129.988%0.87576%0.757SS**  trans-65.589.3170-149.1-62.9000108.4A141H139-A141 PolarHBondContact O-N 3.12Å
140C29.3Very low30.3Very low111 Ų111131.5 Ų131.575%0.7575%0.75SS**  trans-83.992.4173.5-149.60000108.5F138F138-C140 VanDerWaalsContact C-N 3.35Å; F138-C140 PolarHBondContact O-N 2.9Å
141A27Very low30.4Very low70 Ų70128.8 Ų128.858%0.57974%0.74SS**  trans-59.3138.6163.200000109H139H139-A141 PolarHBondContact O-N 3.12Å
142N30.1Very low30.7Very low146 Ų146128 Ų12878%0.78173%0.726SS**  trans89.973.7-179.2-50.3-21.1000115.1I144N142-I144 PolarHBondContact O-N 2.79Å
143N32.4Very low30.9Very low165 Ų165125.8 Ų125.888%0.88271%0.712SS**  trans-61.190.4166.2-80.2-49.3000111.7
144I33.6Very low31.3Very low145 Ų145129.3 Ų129.374%0.74471%0.708SS**  trans-97.6113.1163.5-57.6173.9000107.6N142 K146N142-I144 PolarHBondContact O-N 2.79Å; I144-K146 PolarHBondContact O-N 2.93Å
145P33.3Very low31.2Very low112 Ų112127 Ų12773%0.72770%0.701SS**  trans-71126179.525-26.6000110.1A147P145-A147 PolarHBondContact O-N 3.39Å
146K31.5Very low31.7Very low206 Ų206123.9 Ų123.990%0.89668%0.684SS**  trans-55.195.6172.3-72.2175.9177173.70110.1I144I144-K146 PolarHBondContact O-N 2.93Å
147A36.7Very low31.8Very low72 Ų72127.9 Ų127.960%0.59570%0.696SS**  trans-78.6121.116600000108.4P145 I149P145-A147 PolarHBondContact O-N 3.39Å; A147-I149 PolarHBondContact O-N 3.2Å
148C31.6Very low32.2Very low107 Ų107126.6 Ų126.672%0.72370%0.7SS**  trans-71.899.3179.4-45.90000109.3N150C148-N150 PolarHBondContact O-N 3.1Å
149I33.4Very low32.4Very low103 Ų103122.1 Ų122.153%0.52869%0.687SS.*  trans-86.798.5172.2-57.9173.9000107.2A147 F164A147-I149 PolarHBondContact O-N 3.2Å; I149-F164 HydrophobicContact CG2-CD1 3.29Å; I149-F164 HydrophobicContact CG2-CE1 3.66Å; I149-F164 HydrophobicContact CG2-CG 4.21Å
150N28Very low32.8Very low99 Ų99120.9 Ų120.953%0.52968%0.679SS.*  trans-98115.4170.2-71.4-19.9000108.5C148 W152C148-N150 PolarHBondContact O-N 3.1Å; N150-W152 PolarHBondContact O-N 2.85Å
151P35.9Very low32.9Very low94 Ų94119 Ų11961%0.6166%0.664SS**EExtended strand (participates in β ladder)trans-72.4125.1172.927.5-30.5000109.4F164P151-F164 HydrophobicContact CB-CE1 4.24Å
152W34.4Very low33.3Very low142 Ų142119.7 Ų119.754%0.53866%0.663SS.*EExtended strand (participates in β ladder)trans-107.8148.5171.9-64.380.2000109.2N150 P162 Y163N150-W152 PolarHBondContact O-N 2.85Å; W152-P162 CarbonylContact O-C 3.33Å; W152-P162 VanDerWaalsContact O-CA 3.31Å; W152-P162 WeakPolarHBondContact O-CA 3.48Å; W152-Y163 HydrophobicContact CB-CD1 3.95Å; W152-Y163 HydrophobicContact CB-CD2 4.35Å; W152-Y163 HydrophobicContact CB-CE1 3.33Å; W152-Y163 HydrophobicContact CB-CE2 3.81Å; W152-Y163 HydrophobicContact CB-CG 4.41Å; W152-Y163 WeakPolarHBondContact CB-OH 3.49Å; W152-Y163 HydrophobicContact CG-CE1 4.45Å; W152-Y163 HydrophobicContact CG-CE2 4.21Å; W152-Y163 AromaticContact CG-CZ 3.94Å; W152-Y163 PolarHBondContact N-O 3.39Å; W152-Y163 WeakPolarHBondContact O-CD1 3.22Å; W152-Y163 PolarHBondContact O-N 3.04Å
153T35.5Very low33.7Very low93 Ų93117.4 Ų117.457%0.57164%0.644SS**EExtended strand (participates in β ladder)trans-112.7132.1169.955.30000109.2
154K35.2Very low34Very low143 Ų143114.7 Ų114.762%0.62263%0.625SS**EExtended strand (participates in β ladder)trans-117.6129.4169.9-167.6173.8-178.2-179.20108.2L156 V161 Y163K154-L156 PolarHBondContact O-N 3.49Å; K154-V161 PolarHBondContact N-O 3.2Å; K154-V161 PolarHBondContact O-N 3.38Å; K154-Y163 HydrophobicContact CB-CD1 4.43Å; K154-Y163 HydrophobicContact CB-CE1 3.9Å
155G29.9Very low34Very low60 Ų60111.4 Ų111.462%0.61961%0.611SS**EExtended strand (participates in β ladder)trans-74.1122173.500000110
156L36.6Very low33.9Very low105 Ų105111.3 Ų111.355%0.5560%0.604SS.*EExtended strand (participates in β ladder)trans-128114.6171.8-157.881.5000106.9K154 S158 V159K154-L156 PolarHBondContact O-N 3.49Å; L156-S158 PolarHBondContact O-N 2.92Å; L156-V159 PolarHBondContact N-O 2.78Å; L156-V159 PolarHBondContact O-N 2.88Å
157H36.6Very low34Very low177 Ų177110.1 Ų110.182%0.81960%0.601SS**THydrogen-bonded Turntrans48.650.4178.3-5786.8000114.1V159H157-V159 PolarHBondContact O-N 3.03Å
158S34.2Very low33.8Very low136 Ų136115.6 Ų115.695%0.95161%0.606SS**THydrogen-bonded Turntrans66.34.8-177-58.60000116.7L156L156-S158 PolarHBondContact O-N 2.92Å
159V30Very low33.8Very low90 Ų90118 Ų11855%0.54561%0.612SS.*EExtended strand (participates in β ladder)trans-104.4125.3173.4-174.60000109.6L156 H157 V161L156-V159 PolarHBondContact N-O 2.78Å; L156-V159 PolarHBondContact O-N 2.88Å; H157-V159 PolarHBondContact O-N 3.03Å; V159-V161 HydrophobicContact CG1-CG2 4.13Å
160K34.6Very low33.8Very low162 Ų162123.9 Ų123.970%0.70463%0.628SS**EExtended strand (participates in β ladder)trans-85.6113.5171.2-75.9-177.9-178.8176.20108.6
161V31.3Very low34Very low71 Ų71130.6 Ų130.643%0.4365%0.646SS.*EExtended strand (participates in β ladder)trans-104124.9177-169.60000109.3K154 V159K154-V161 PolarHBondContact N-O 3.2Å; K154-V161 PolarHBondContact O-N 3.38Å; V159-V161 HydrophobicContact CG1-CG2 4.13Å
162P35.1Very low33.8Very low85 Ų85133 Ų13355%0.55265%0.652SS**EExtended strand (participates in β ladder)trans-72.1138.1172.929.2-31.7000110.5W152W152-P162 CarbonylContact O-C 3.33Å; W152-P162 VanDerWaalsContact O-CA 3.31Å; W152-P162 WeakPolarHBondContact O-CA 3.48Å
163Y37.3Very low33.5Very low99 Ų99132 Ų13239%0.38867%0.667SS.*EExtended strand (participates in β ladder)trans-138.7153.8171.769.2-82000111.1W152 K154 V165W152-Y163 HydrophobicContact CB-CD1 3.95Å; W152-Y163 HydrophobicContact CB-CD2 4.35Å; W152-Y163 HydrophobicContact CB-CE1 3.33Å; W152-Y163 HydrophobicContact CB-CE2 3.81Å; W152-Y163 HydrophobicContact CB-CG 4.41Å; W152-Y163 WeakPolarHBondContact CB-OH 3.49Å; W152-Y163 HydrophobicContact CG-CE1 4.45Å; W152-Y163 HydrophobicContact CG-CE2 4.21Å; W152-Y163 AromaticContact CG-CZ 3.94Å; W152-Y163 PolarHBondContact N-O 3.39Å; W152-Y163 WeakPolarHBondContact O-CD1 3.22Å; W152-Y163 PolarHBondContact O-N 3.04Å; K154-Y163 HydrophobicContact CB-CD1 4.43Å; K154-Y163 HydrophobicContact CB-CE1 3.9Å; Y163-V165 HydrophobicContact CD2-CG2 4.05Å; Y163-V165 HydrophobicContact CE2-CG2 3.79Å
164F38.6Very low33.4Very low108 Ų108133.3 Ų133.347%0.47468%0.675SS.*EExtended strand (participates in β ladder)trans-110.2144178.1-52.5-75.5000110.3I149 P151I149-F164 HydrophobicContact CG2-CD1 3.29Å; I149-F164 HydrophobicContact CG2-CE1 3.66Å; I149-F164 HydrophobicContact CG2-CG 4.21Å; P151-F164 HydrophobicContact CB-CE1 4.24Å
165V33.6Very low33.2Very low75 Ų75136 Ų13646%0.45569%0.689SS.*  trans-115.4113.3171.8-1790000108Y163Y163-V165 HydrophobicContact CD2-CG2 4.05Å; Y163-V165 HydrophobicContact CE2-CG2 3.79Å
166L32.9Very low33Very low111 Ų111136.6 Ų136.658%0.58170%0.696SS**  trans-87.1111.1171.8-67.6173.5000109.4
167Q32.3Very low32.8Very low180 Ų180141.1 Ų141.184%0.84172%0.715SS**  trans-95.5120177.2-160.8169.1-24.200109.9N169Q167-N169 PolarHBondContact O-N 3.15Å
168R32.2Very low32.3Very low187 Ų187141.9 Ų141.971%0.70672%0.716SS**  trans-71.1123.4175.2-168.2173.5-175.2155.2-0.3108.6D107 R170D107-R168 IonicContact OD1-NH1 2.79Å; R168-R170 PolarHBondContact O-N 3.21Å; R168-R170 VanDerWaalsContact O-N 3.14Å
169N31.7Very low31.9Very low158 Ų158145 Ų14585%0.84571%0.712SS**  trans-68110.8179.1-134.3-0000109Q167 R171Q167-N169 PolarHBondContact O-N 3.15Å; N169-R171 PolarHBondContact O-N 2.99Å
170R33.9Very low31.9Very low226 Ų226145.8 Ų145.885%0.85372%0.719SS**  trans-76.8110.1171.3-133.5-178.2-167.4178.62.6105.9R168 I172R168-R170 PolarHBondContact O-N 3.21Å; R168-R170 VanDerWaalsContact O-N 3.14Å; R170-I172 PolarHBondContact O-N 3.22Å
171R33.1Very low31.4Very low240 Ų240144.2 Ų144.291%0.90672%0.724SS**  trans-57114.4168.9-79.4-171.8-170.71763.2107.3N169 S173N169-R171 PolarHBondContact O-N 2.99Å; R171-S173 PolarHBondContact O-N 3.27Å
172I31.6Very low31.4Very low144 Ų144148.3 Ų148.374%0.73874%0.743SS**  trans-76.1110.8165.8-58.7173.8000104.5R170 T174R170-I172 PolarHBondContact O-N 3.22Å; I172-T174 HydrophobicContact CG2-CG2 4.06Å; I172-T174 PolarHBondContact O-N 3.29Å; I172-T174 VanDerWaalsContact O-N 3.09Å
173S27.1Very low31.1Very low123 Ų123148.3 Ų148.386%0.8675%0.75SS**  trans-7099.1169.2-55.10000107.7R171R171-S173 PolarHBondContact O-N 3.27Å
174T32.9Very low30.7Very low120 Ų120149.2 Ų149.274%0.73677%0.766SS**  trans-106.8114.3160.644.30000107.8I172I172-T174 HydrophobicContact CG2-CG2 4.06Å; I172-T174 PolarHBondContact O-N 3.29Å; I172-T174 VanDerWaalsContact O-N 3.09Å
175E30.7Very low30.2Very low198 Ų198150 Ų15093%0.92578%0.78SS**  trans5132.2158.8-64.4175.214600118.9
176G26.6Very low29.7Very low74 Ų74151.4 Ų151.476%0.76380%0.799SS**  trans11070.5140.800000116.6
177E31.7Very low29.4Very low200 Ų200157.3 Ų157.394%0.93581%0.814SS**  trans-155.2106.6145.5-115.6172.915700110.7
178K26.7Very low29.2Very low193 Ų193157.7 Ų157.784%0.83982%0.816SS**  trans-70.4140.4166.4-84.7175.5171.5176.50108.6
179F26.1Very low29.3Very low201 Ų201154.2 Ų154.288%0.88281%0.811SS**  trans178.7155.7134.5-100.9-63.2000110.2
180P29.1Very low29.5Very low107 Ų107154.4 Ų154.470%0.69581%0.812SS**  -111.3161.2-94.838.7-29.7000114.2
181T25.7Very low29.4Very low129 Ų129149.9 Ų149.979%0.79181%0.805SS**  trans-49129.8161.9-26.80000110.4
182N30.2Very low29.2Very low156 Ų156141.9 Ų141.983%0.83480%0.797SS**  trans-166.2116.9141.1-86.3-20000110.6
183A28.9Very low29.2Very low85 Ų85143.5 Ų143.570%0.70281%0.807SS**  trans67.4101.9138.700000119.9
184T28.4Very low29.3Very low119 Ų119140.9 Ų140.973%0.7380%0.799SS**  107.7113.6117.8-53.10000117.7
185T28.8Very low29.4Very low124 Ų124142.7 Ų142.776%0.76180%0.797SS**  trans73.590.5151.454.70000120.4
186A24Very low29.9Very low104 Ų104137.8 Ų137.886%0.8678%0.777SS**  22.5109125.100000119
187R26.2Very low30.5Very low236 Ų236137.5 Ų137.589%0.89176%0.76SS**  -160.2123121.1-160.8164.1160.3156.8-6.7108.6D189R187-D189 PolarHBondContact O-N 3.38Å
188E28.2Very low30.8Very low188 Ų188130.6 Ų130.688%0.87973%0.732SS**  trans-73.7107.3177.7-68.4171.5149.300109.9
189D34.2Very low31.6Very low114 Ų114123.5 Ų123.561%0.6171%0.709SS**  trans-118.8104.7158.760.7-28.2000108.6R187 N191R187-D189 PolarHBondContact O-N 3.38Å; D189-N191 PolarHBondContact O-N 3.18Å; D189-N191 PolarHBondContact OD2-ND2 3.26Å; D189-N191 VanDerWaalsContact OD2-ND2 3.08Å
190N34.6Very low32.5Very low162 Ų162121.2 Ų121.287%0.86669%0.694SS**  trans-70.465.4175.2-70-54.4000110.5G192N190-G192 PolarHBondContact O-N 3.44Å; N190-G192 VanDerWaalsContact O-N 3.1Å
191N31.9Very low33Very low130 Ų130119.9 Ų119.970%0.69568%0.681SS**  trans-82.669.9168.2-75.2-28000109D189 L193D189-N191 PolarHBondContact O-N 3.18Å; D189-N191 PolarHBondContact OD2-ND2 3.26Å; D189-N191 VanDerWaalsContact OD2-ND2 3.08Å; N191-L193 VanDerWaalsContact C-N 3.35Å; N191-L193 PolarHBondContact O-N 2.93Å; N191-L193 VanDerWaalsContact O-N 3.12Å
192G29.7Very low33.9Very low73 Ų73116.8 Ų116.875%0.75366%0.662SS**  trans-7590.8162.900000108.6N190 G194N190-G192 PolarHBondContact O-N 3.44Å; N190-G192 VanDerWaalsContact O-N 3.1Å; G192-G194 VanDerWaalsContact C-N 3.27Å; G192-G194 PolarHBondContact O-N 3.09Å
193L31.8Very low34.5Very low178 Ų178112.2 Ų112.293%0.93264%0.642SS**  trans-51.890170.9-78.4158.5000109.8N191 F195N191-L193 VanDerWaalsContact C-N 3.35Å; N191-L193 PolarHBondContact O-N 2.93Å; N191-L193 VanDerWaalsContact O-N 3.12Å; L193-F195 PolarHBondContact O-N 3.39Å
194G29.3Very low35.1Very low68 Ų68110.7 Ų110.770%0.70163%0.629SS**  trans-74.2117.1172.200000108.1G192 D196G192-G194 VanDerWaalsContact C-N 3.27Å; G192-G194 PolarHBondContact O-N 3.09Å; G194-D196 PolarHBondContact O-N 3.34Å; G194-D196 VanDerWaalsContact O-N 3.08Å
195F35Very low35.7Very low158 Ų158110 Ų11069%0.69362%0.621SS**  trans-57.2114.3171.2-160.8-90.8000108.2L193 V197 W200L193-F195 PolarHBondContact O-N 3.39Å; F195-V197 VanDerWaalsContact C-N 3.31Å; F195-V197 HydrophobicContact CD1-CG2 4.21Å; F195-V197 PolarHBondContact O-N 3.08Å; F195-W200 HydrophobicContact CE1-CB 3.93Å; F195-W200 HydrophobicContact CE1-CD2 4.28Å; F195-W200 AromaticContact CE1-CG 3.99Å; F195-W200 HydrophobicContact CE1-CG 3.99Å; F195-W200 HydrophobicContact CZ-CG 4.39Å
196D41.9Very low36.6Very low95 Ų95109.9 Ų109.951%0.50861%0.614SS.*  trans-74.389.3177.2-172.1-7.6000108.8G194 V198 A199 W200G194-D196 PolarHBondContact O-N 3.34Å; G194-D196 VanDerWaalsContact O-N 3.08Å; D196-V198 PolarHBondContact O-N 2.84Å; D196-V198 WeakPolarHBondContact OD1-CA 3.5Å; D196-V198 VanDerWaalsContact OD1-CB 3.3Å; D196-V198 WeakPolarHBondContact OD1-CB 3.46Å; D196-V198 PolarHBondContact OD1-N 2.83Å; D196-A199 HydrophobicContact CB-CB 3.79Å; D196-A199 VanDerWaalsContact CG-CB 3.41Å; D196-A199 VanDerWaalsContact CG-N 3.33Å; D196-A199 PolarHBondContact O-N 3.33Å; D196-A199 PolarHBondContact OD1-N 2.86Å; D196-A199 VanDerWaalsContact OD2-CB 3.27Å; D196-A199 WeakPolarHBondContact OD2-CB 3.31Å; D196-W200 PolarHBondContact O-N 3.01Å
197V38.5Very low37.4Very low67 Ų67111.3 Ų111.341%0.40661%0.608SS.*Hα-helixtrans-59.1-28.6176.2174.70000110.7F195 I201F195-V197 VanDerWaalsContact C-N 3.31Å; F195-V197 HydrophobicContact CD1-CG2 4.21Å; F195-V197 PolarHBondContact O-N 3.08Å; V197-I201 HydrophobicContact CG1-CD1 3.68Å; V197-I201 HydrophobicContact CG1-CG1 4.31Å; V197-I201 WeakPolarHBondContact O-CB 3.43Å; V197-I201 WeakPolarHBondContact O-CD1 3.38Å; V197-I201 WeakPolarHBondContact O-CG1 3.19Å; V197-I201 PolarHBondContact O-N 2.82Å
198V37.6Very low38.1Very low56 Ų56104.2 Ų104.234%0.33960%0.595SS.*Hα-helixtrans-72.6-50.9177-175.10000109.2W111 D196 W200 I201 T202W111-V198 HydrophobicContact CH2-CG2 3.59Å; W111-V198 HydrophobicContact CZ2-CG2 4.09Å; W111-V198 HydrophobicContact CZ3-CG2 4.36Å; D196-V198 PolarHBondContact O-N 2.84Å; D196-V198 WeakPolarHBondContact OD1-CA 3.5Å; D196-V198 VanDerWaalsContact OD1-CB 3.3Å; D196-V198 WeakPolarHBondContact OD1-CB 3.46Å; D196-V198 PolarHBondContact OD1-N 2.83Å; V198-W200 PolarHBondContact O-N 3.41Å; V198-I201 PolarHBondContact O-N 3.28Å; V198-T202 WeakPolarHBondContact O-CB 3.23Å; V198-T202 PolarHBondContact O-N 2.89Å; V198-T202 PolarHBondContact O-OG1 3.3Å
199A43.8Very low38.4Very low43 Ų43103.9 Ų103.936%0.35559%0.593SS.*Hα-helixtrans-59.4-34.2174.800000112.9D196 S203D196-A199 HydrophobicContact CB-CB 3.79Å; D196-A199 VanDerWaalsContact CG-CB 3.41Å; D196-A199 VanDerWaalsContact CG-N 3.33Å; D196-A199 PolarHBondContact O-N 3.33Å; D196-A199 PolarHBondContact OD1-N 2.86Å; D196-A199 VanDerWaalsContact OD2-CB 3.27Å; D196-A199 WeakPolarHBondContact OD2-CB 3.31Å; A199-S203 WeakPolarHBondContact O-CB 3.26Å; A199-S203 PolarHBondContact O-N 2.91Å; A199-S203 PolarHBondContact O-OG 3.4Å
200W44.6Very low38.2Very low153 Ų153101.6 Ų101.658%0.5860%0.596SS**Hα-helixtrans-70.2-46175.6-179.560.2000112.7F195 D196 V198 S203 A204F195-W200 HydrophobicContact CE1-CB 3.93Å; F195-W200 HydrophobicContact CE1-CD2 4.28Å; F195-W200 AromaticContact CE1-CG 3.99Å; F195-W200 HydrophobicContact CE1-CG 3.99Å; F195-W200 HydrophobicContact CZ-CG 4.39Å; D196-W200 PolarHBondContact O-N 3.01Å; V198-W200 PolarHBondContact O-N 3.41Å; W200-S203 PolarHBondContact O-N 2.95Å; W200-A204 VanDerWaalsContact O-CB 3.28Å; W200-A204 WeakPolarHBondContact O-CB 3.31Å; W200-A204 PolarHBondContact O-N 3.15Å
201I40.2Very low37.9Very low79 Ų79102.3 Ų102.341%0.40559%0.594SS.*Hα-helixtrans-65.4-44.1176.8-69.5168.6000110.3V197 V198 A204 L205V197-I201 HydrophobicContact CG1-CD1 3.68Å; V197-I201 HydrophobicContact CG1-CG1 4.31Å; V197-I201 WeakPolarHBondContact O-CB 3.43Å; V197-I201 WeakPolarHBondContact O-CD1 3.38Å; V197-I201 WeakPolarHBondContact O-CG1 3.19Å; V197-I201 PolarHBondContact O-N 2.82Å; V198-I201 PolarHBondContact O-N 3.28Å; I201-A204 PolarHBondContact O-N 3.12Å; I201-L205 HydrophobicContact CG2-CD1 3.76Å; I201-L205 HydrophobicContact CG2-CG 4.4Å; I201-L205 WeakPolarHBondContact O-CB 3.33Å; I201-L205 WeakPolarHBondContact O-CG 3.05Å; I201-L205 PolarHBondContact O-N 2.69Å
202T43.4Very low37.7Very low65 Ų65102 Ų10240%0.39960%0.599SS.*Hα-helixtrans-60.5-44.8175.2-57.90000110.4V198 A204 L205 L206V198-T202 WeakPolarHBondContact O-CB 3.23Å; V198-T202 PolarHBondContact O-N 2.89Å; V198-T202 PolarHBondContact O-OG1 3.3Å; T202-A204 PolarHBondContact O-N 3.32Å; T202-L205 PolarHBondContact O-N 3.45Å; T202-L206 HydrophobicContact CG2-CD1 3.46Å; T202-L206 VanDerWaalsContact CG2-CD1 3.46Å; T202-L206 VanDerWaalsContact O-CB 3.31Å; T202-L206 WeakPolarHBondContact O-CB 3.3Å; T202-L206 WeakPolarHBondContact O-CD1 3.49Å; T202-L206 PolarHBondContact O-N 3.01Å
203S43.1Very low37.7Very low59 Ų59103.6 Ų103.641%0.41360%0.599SS.*Hα-helixtrans-66.5-35.9174.6-60.90000113A199 W200 N207A199-S203 WeakPolarHBondContact O-CB 3.26Å; A199-S203 PolarHBondContact O-N 2.91Å; A199-S203 PolarHBondContact O-OG 3.4Å; W200-S203 PolarHBondContact O-N 2.95Å; S203-N207 WeakPolarHBondContact O-CB 3.31Å; S203-N207 PolarHBondContact O-N 3.46Å; S203-N207 PolarHBondContact O-ND2 3.31Å
204A42.8Very low37.6Very low53 Ų53102.3 Ų102.344%0.43859%0.593SS.*Hα-helixtrans-69.3-34.6177.700000112.2W200 I201 T202W200-A204 VanDerWaalsContact O-CB 3.28Å; W200-A204 WeakPolarHBondContact O-CB 3.31Å; W200-A204 PolarHBondContact O-N 3.15Å; I201-A204 PolarHBondContact O-N 3.12Å; T202-A204 PolarHBondContact O-N 3.32Å
205L41.2Very low37.6Very low106 Ų106105 Ų10556%0.55560%0.598SS**Hα-helixtrans-77.8-39175.6-70.2168.9000112.1I201 T202 N207 S208I201-L205 HydrophobicContact CG2-CD1 3.76Å; I201-L205 HydrophobicContact CG2-CG 4.4Å; I201-L205 WeakPolarHBondContact O-CB 3.33Å; I201-L205 WeakPolarHBondContact O-CG 3.05Å; I201-L205 PolarHBondContact O-N 2.69Å; T202-L205 PolarHBondContact O-N 3.45Å; L205-N207 VanDerWaalsContact C-N 3.31Å; L205-N207 PolarHBondContact O-N 3.07Å; L205-S208 PolarHBondContact O-N 2.94Å; L205-S208 PolarHBondContact O-OG 3.26Å; L205-S208 VanDerWaalsContact O-OG 3.11Å
206L46.4Very low37.2Very low120 Ų120102.9 Ų102.963%0.62860%0.601SS**Hα-helixtrans-72-23.3175.4-86.8140000113T202T202-L206 HydrophobicContact CG2-CD1 3.46Å; T202-L206 VanDerWaalsContact CG2-CD1 3.46Å; T202-L206 VanDerWaalsContact O-CB 3.31Å; T202-L206 WeakPolarHBondContact O-CB 3.3Å; T202-L206 WeakPolarHBondContact O-CD1 3.49Å; T202-L206 PolarHBondContact O-N 3.01Å
207N40.9Very low36.9Very low134 Ų134103.5 Ų103.572%0.71761%0.613SS**THydrogen-bonded Turntrans-92.13.3177.1-67.3-26.1000113.9S203 L205S203-N207 WeakPolarHBondContact O-CB 3.31Å; S203-N207 PolarHBondContact O-N 3.46Å; S203-N207 PolarHBondContact O-ND2 3.31Å; L205-N207 VanDerWaalsContact C-N 3.31Å; L205-N207 PolarHBondContact O-N 3.07Å
208S41.6Very low36.7Very low88 Ų88107.4 Ų107.462%0.61563%0.632SS**THydrogen-bonded Turntrans-92.10.3173.168.70000114.1L205 G210L205-S208 PolarHBondContact O-N 2.94Å; L205-S208 PolarHBondContact O-OG 3.26Å; L205-S208 VanDerWaalsContact O-OG 3.11Å; S208-G210 VanDerWaalsContact C-N 3.25Å; S208-G210 PolarHBondContact O-N 2.83Å; S208-G210 VanDerWaalsContact O-N 3.16Å
209E33.5Very low36.6Very low181 Ų181109.8 Ų109.885%0.84665%0.648SS**  trans-87.263.5170.8-58.5-153.2140.800110.7
210G30.5Very low36.1Very low65 Ų65115.6 Ų115.667%0.6767%0.674SS**  trans-108.3110.5166.600000109.1S208S208-G210 VanDerWaalsContact C-N 3.25Å; S208-G210 PolarHBondContact O-N 2.83Å; S208-G210 VanDerWaalsContact O-N 3.16Å
211E27.5Very low35.7Very low178 Ų178115.1 Ų115.183%0.83268%0.682SS**  trans-38.7143.1179.2-82.3-167.4117.300114.8S213E211-S213 PolarHBondContact O-N 3.01Å; E211-S213 VanDerWaalsContact O-N 3.09Å
212P28.3Very low35.6Very low123 Ų123119.8 Ų119.880%0.79970%0.7SS**  trans-76.894162.432.5-27.9000108.6N214P212-N214 PolarHBondContact O-N 2.96Å
213S30.5Very low35.5Very low106 Ų106123.2 Ų123.274%0.74172%0.716SS**  trans-67104.6168.159.30000109.5E211 P215E211-S213 PolarHBondContact O-N 3.01Å; E211-S213 VanDerWaalsContact O-N 3.09Å; S213-P215 WeakPolarHBondContact O-CD 3.4Å
214N28.8Very low35.2Very low152 Ų152125.7 Ų125.781%0.81373%0.729SS**  trans-50.3139.4166.4-91.4-36.3000111.6P212P212-N214 PolarHBondContact O-N 2.96Å
215P30.7Very low35.1Very low125 Ų125132.3 Ų132.381%0.81275%0.747SS**  trans-125.7103.3147.231.4-15000109.5S213S213-P215 WeakPolarHBondContact O-CD 3.4Å
216C25.1Very low34.8Very low112 Ų112136.8 Ų136.876%0.75776%0.762SS**  trans-119.5148.9162-92.20000108.8
217S35.3Very low34.5Very low108 Ų108136 Ų13676%0.75577%0.765SS**  trans79.8127.5177.6660000115.8
218N35.1Very low34.4Very low150 Ų150134.7 Ų134.780%0.80277%0.766SS**  cis-158.2159.8-1.8-90.6-25.7000106.9
219P35.4Very low34.2Very low105 Ų105139 Ų13968%0.68278%0.777SS**  trans-78.6142.7169.934.7-29.6000108.9
220D33.9Very low34.3Very low166 Ų166136 Ų13689%0.88877%0.77SS**  trans178.4141.9140.5-84.9-29.5000111
221D36.5Very low34.3Very low143 Ų143138.1 Ų138.177%0.76578%0.775SS**  trans93.593.9159.7-119.44.9000121.1
222F37.2Very low34.8Very low176 Ų176135.6 Ų135.677%0.77277%0.771SS**  28.6121.3130-73.5-94.4000119.7
223D41Very low34.9Very low138 Ų138138.8 Ų138.874%0.73877%0.773SS**  176.711986.2-114.9-29.5000113.9
224T38.3Very low34.9Very low110 Ų110144.5 Ų144.568%0.67578%0.778SS**  59.8101.2121.2-58.20000122.4
225K39Very low34.9Very low192 Ų192141.6 Ų141.684%0.83577%0.769SS**  161.6106.7117.3-101.3177.8177.6176.20110.4
226K36.4Very low34.8Very low200 Ų200147.1 Ų147.187%0.8777%0.774SS**  101.4143.878-122.3-119.8171.9164.20111.9
227P39.5Very low34.9Very low105 Ų105147 Ų14768%0.68277%0.774SS**  trans-128.6-178.7-143.439.6-20.9000114.6
228S38.5Very low34.7Very low106 Ų106146 Ų14674%0.74177%0.773SS**  trans-175.3111.3146.923.40000108.1
229E37.8Very low34.6Very low179 Ų179145 Ų14584%0.83677%0.772SS**  7512691.1-84.4-173.8163.100111.8
230T35.8Very low34.4Very low116 Ų116147.5 Ų147.571%0.71278%0.775SS**  cis-167.4158.521.1-26.30000111.2
231S30.5Very low34.3Very low110 Ų110145.9 Ų145.977%0.76978%0.775SS**  trans77.4125.1146.6-86.80000118.7
232V37.3Very low34Very low125 Ų125145.5 Ų145.576%0.75877%0.773SS**  cis-159.5114.628.1176.50000108.1
233K30.5Very low34Very low190 Ų190145.6 Ų145.683%0.82678%0.776SS**  54.2110.696.2-103.4-176.7-176.8176.90120.8
234R30Very low33.5Very low227 Ų227143.3 Ų143.386%0.85777%0.769SS**  143.3103.5128.9-80.4-176.3-122.7-159.40.5111.1
235S29.2Very low33.3Very low90 Ų90145.1 Ų145.163%0.62978%0.779SS**  53.5130.677.279.90000114
236W27.9Very low33Very low242 Ų242143.7 Ų143.792%0.91777%0.769SS**  -159164.259.7-81.876.6000114.1
237S28.6Very low32.9Very low108 Ų108137.2 Ų137.276%0.75575%0.749SS**  trans-108.9168.3-174.450.20000114.6
238A30.7Very low32.9Very low89 Ų89137.6 Ų137.674%0.73675%0.754SS**  trans176.7111.2146.400000112
239T33.7Very low32.8Very low127 Ų127136.2 Ų136.278%0.77975%0.749SS**  93.298.1100.2-38.70000112.7
240E29.4Very low32.8Very low159 Ų159134 Ų13474%0.74374%0.739SS**  72.6117.880.9-164.3167.7-154.700114.9
241C32.4Very low32.9Very low132 Ų132130.4 Ų130.489%0.89272%0.72SS**  trans-162.5114.6156.1-107.40000110
242D30.1Very low33.3Very low135 Ų135128.4 Ų128.472%0.72271%0.71SS**  trans-64135.9179.5-72.6-63.7000115.2
243Q38.2Very low33.4Very low178 Ų178125.4 Ų125.483%0.83270%0.699SS**  trans-143.7145.8157.4-77.4-68.8-81.600109.7
244P30.8Very low33.7Very low89 Ų89122.6 Ų122.658%0.57869%0.688SS**  trans-75140.3-154.629.9-34.8000113.4W246P244-W246 PolarHBondContact O-N 2.79Å
245V32.6Very low34Very low148 Ų148122 Ų12290%0.89769%0.686SS**  trans-74.2110.3173.1178.80000109
246W32.4Very low34.5Very low163 Ų163121 Ų12162%0.61768%0.683SS**  trans-92.1132.7168.2-69.638.9000107.6P244 S248 A251P244-W246 PolarHBondContact O-N 2.79Å; W246-S248 PolarHBondContact O-N 3.47Å; W246-A251 HydrophobicContact CB-CB 4.42Å; W246-A251 HydrophobicContact CE3-CB 4.45Å
247S36Very low35Very low64 Ų64114.4 Ų114.445%0.44867%0.67SS.*  trans-60.9136.4174.784.70000109.2A249 E250S247-A249 PolarHBondContact O-N 3.36Å; S247-E250 PolarHBondContact O-N 2.72Å
248S39.2Very low35.2Very low113 Ų113117.1 Ų117.179%0.7967%0.669SS**THydrogen-bonded Turntrans-62.8-12.2-168.568.40000114.4W246W246-S248 PolarHBondContact O-N 3.47Å
249A36.5Very low35.6Very low77 Ų77120.8 Ų120.864%0.63667%0.668SS**THydrogen-bonded Turntrans-83-28.8176.800000113.7S247S247-A249 PolarHBondContact O-N 3.36Å
250E37.7Very low35.6Very low133 Ų133122.7 Ų122.762%0.62167%0.666SS**Hα-helixtrans-93.2-26.8-175-72.4176.4141.200113.1S247 A252 A253S247-E250 PolarHBondContact O-N 2.72Å; E250-A252 VanDerWaalsContact C-N 3.34Å; E250-A252 PolarHBondContact O-N 3.39Å; E250-A253 PolarHBondContact O-N 3.47Å
251A37.6Very low35.9Very low39 Ų39120.2 Ų120.232%0.32266%0.662SS.*Hα-helixtrans-69.5-29175.900000113.2W246 W255W246-A251 HydrophobicContact CB-CB 4.42Å; W246-A251 HydrophobicContact CE3-CB 4.45Å; A251-W255 PolarHBondContact O-N 3.39Å
252A37.6Very low36.2Very low68 Ų68121.9 Ų121.956%0.56266%0.657SS**Hα-helixtrans-71.2-32.5177.900000112.8E250 A256E250-A252 VanDerWaalsContact C-N 3.34Å; E250-A252 PolarHBondContact O-N 3.39Å; A252-A256 PolarHBondContact O-N 3.46Å
253A40.6Very low36.4Very low63 Ų63118.8 Ų118.852%0.52166%0.657SS.*Hα-helixtrans-73.4-32.8178.900000112.7E250 T257E250-A253 PolarHBondContact O-N 3.47Å; A253-T257 PolarHBondContact O-OG1 3.3Å
254H37.4Very low36.4Very low130 Ų130116.8 Ų116.860%0.60265%0.65SS**Hα-helixtrans-79.6-25178.7-103.1-96.9000113.9
255W35.4Very low36.6Very low214 Ų214119.5 Ų119.581%0.81166%0.657SS**Hα-helixtrans-79-31.6175.9-104.746000113.9A251 T257 F258A251-W255 PolarHBondContact O-N 3.39Å; W255-T257 VanDerWaalsContact C-N 3.26Å; W255-T257 PolarHBondContact O-N 3.05Å; W255-F258 PolarHBondContact O-N 3.31Å
256A38.8Very low36.8Very low69 Ų69117.1 Ų117.157%0.5765%0.652SS**Hα-helixtrans-67.8-25.7177.600000113.1A252A252-A256 PolarHBondContact O-N 3.46Å
257T39.5Very low37Very low105 Ų105115.3 Ų115.364%0.64467%0.665SS**Hα-helixtrans-88.7-16.5-179-47.70000112.7A253 W255A253-T257 PolarHBondContact O-OG1 3.3Å; W255-T257 VanDerWaalsContact C-N 3.26Å; W255-T257 PolarHBondContact O-N 3.05Å
258F32.8Very low37Very low164 Ų164119.4 Ų119.472%0.71968%0.677SS**SBendtrans-96.20.6-176.1-123.7-90.9000115.1W255W255-F258 PolarHBondContact O-N 3.31Å
259K38.3Very low36.8Very low166 Ų166125.2 Ų125.272%0.72268%0.681SS**SBendtrans-118.30.4179.3-78.4-72.3-170.2-175.70114.8
260F34.2Very low37Very low168 Ų168128.9 Ų128.974%0.73770%0.696SS**SBendtrans-93.1-8-179.3-123.2-92.4000114.5
261T36.2Very low37.1Very low107 Ų107127 Ų12766%0.65670%0.697SS**SBendtrans-111.9-8.9-175.742.90000115.3
262E38.3Very low37.3Very low167 Ų167132.5 Ų132.578%0.7872%0.721SS**SBendtrans-101.5-7.3176.3-67.7-147145.500114.6
263G35.5Very low37.3Very low70 Ų70140.7 Ų140.772%0.72276%0.755SS**SBendtrans-91.9-5.8-178.400000116
264I36.9Very low37.1Very low136 Ų136144.6 Ų144.670%0.69777%0.767SS**SBendtrans-113.4-1-170.3-64.1179.6000113
265M35.4Very low37.1Very low146 Ų146145.4 Ų145.472%0.71978%0.776SS**SBendtrans-121.810.3-174.3-74.1-68.3-67.300116.5
266A36.1Very low37.2Very low97 Ų97141.6 Ų141.680%0.80277%0.774SS**  trans-104.411-176.200000115.7
267S37.3Very low37.1Very low125 Ų125145.8 Ų145.887%0.87479%0.786SS**SBendtrans-9712.5176-171.60000114.1
268E36.6Very low37Very low150 Ų150148.4 Ų148.470%0.70179%0.794SS**SBendtrans-118.4123.2176-94.8178.614900110.6
269R33.4Very low37.3Very low235 Ų235147.3 Ų147.389%0.88780%0.8SS**  trans81.873.4166-56176.5-179.7173.10.5117.1S271R269-S271 PolarHBondContact O-N 3.16Å; R269-S271 VanDerWaalsContact O-N 3.16Å
270T40.8Very low37.2Very low154 Ų154146 Ų14695%0.94581%0.805SS**  trans-61.7107.1137.432.60000109.2
271S40.1Very low37.4Very low93 Ų93144.3 Ų144.365%0.6581%0.81SS**  trans-59.9136.5173.21230000112.8R269R269-S271 PolarHBondContact O-N 3.16Å; R269-S271 VanDerWaalsContact O-N 3.16Å
272L41.6Very low37.5Very low156 Ų156147.4 Ų147.482%0.81782%0.823SS**  trans54.7100.4141.4-73.7132000119.2
273N38.2Very low37.4Very low240 Ų240145.6 Ų145.6100%1.28383%0.827SS**  -126.70113.3-107.4-2.5000108

Retrieved 273 of 273 residues in 89 ms (Link to these results)

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