A0A087XD15_POEFO Loading...

Protein phosphatase 1 regulatory subunit 19

Plays a central role in maintaining S6K1 signaling and BAD phosphorylation under normal growth conditions thereby protecting cells from potential deleterious effects of sustained S6K1 signaling. The URI1-PPP1CC complex acts as a central component of a negative feedback mechanism that counteracts excessive S6K1 survival signaling to BAD in response to growth factors. Mediates inhibition of PPP1CC phosphatase activity in mitochondria. Coordinates the regulation of nutrient-sensitive gene expression availability in a mTOR-dependent manner. Seems to be a scaffolding protein able to assemble a prefoldin-like complex that contains PFDs and proteins with roles in transcription and ubiquitination.

AlphaFold DB , UniProt , Accession A0A087XD15, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 498 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
1M36.8Very low47.9Very low250 Ų250136.6 Ų136.6100%1.23273%0.728SS**  089.60-72.2170.9170.400108.5
2A39.9Very low49.1Very low101 Ų101131.2 Ų131.284%0.83570%0.698SS**  trans-154.9-2.8-177.100000116.4
3E43.9Very low51Low175 Ų175124.5 Ų124.582%0.81868%0.679SS**  trans-98.6-16.1-171.5-72.5179.4127.800115.8G5 N6E3-G5 PolarHBondContact O-N 3.48Å; E3-N6 PolarHBondContact O-N 3.04Å
4K48.9Very low53.4Low199 Ų199117.8 Ų117.887%0.86565%0.654SS**THydrogen-bonded Turntrans-68.7-3.8-176.4-85.1-170.1172-173.40115.4
5G43.3Very low55.5Low59 Ų59111.3 Ų111.361%0.60862%0.619SS**THydrogen-bonded Turntrans-83-30.1178.700000114.8E3E3-G5 PolarHBondContact O-N 3.48Å
6N45.7Very low57.4Low120 Ų120107.2 Ų107.264%0.64260%0.597SS**Hα-helixtrans-79.2-30.9-164.4-119.938.4000114.2E3 N8 M9E3-N6 PolarHBondContact O-N 3.04Å; N6-N8 VanDerWaalsContact C-N 3.35Å; N6-N8 PolarHBondContact O-N 3.37Å; N6-M9 PolarHBondContact O-N 3.06Å
7T50.9Low59.4Low80 Ų80110.8 Ų110.849%0.49160%0.599SS.*Hα-helixtrans-71.6-24.8-170.654.20000114.3H11T7-H11 PolarHBondContact O-ND1 3.37Å
8N52.2Low61.1Low87 Ų87109.3 Ų109.347%0.46559%0.59SS.*Hα-helixtrans-76.3-31.3177.8-77.7-36.9000112.4N6 H11 L12N6-N8 VanDerWaalsContact C-N 3.35Å; N6-N8 PolarHBondContact O-N 3.37Å; N8-H11 PolarHBondContact O-N 2.76Å; N8-L12 PolarHBondContact O-N 3.5Å
9M50.8Low62.7Low151 Ų151107.4 Ų107.474%0.74457%0.574SS**Hα-helixtrans-68.8-38-179.6-117.3-174.773.300112.3N6 H11 L12 G13N6-M9 PolarHBondContact O-N 3.06Å; M9-H11 VanDerWaalsContact C-N 3.34Å; M9-L12 PolarHBondContact O-N 3.17Å; M9-G13 PolarHBondContact O-N 3.44Å
10E54.6Low64.2Low149 Ų149107.6 Ų107.670%0.69657%0.571SS**Hα-helixtrans-66.4-35.7176-64.7-171160.300112.3G14E10-G14 PolarHBondContact O-N 3.39Å; E10-G14 VanDerWaalsContact O-N 3.12Å
11H59.8Low65.5Low132 Ų132107.4 Ų107.461%0.61157%0.567SS**Hα-helixtrans-65.6-44.4175.3-87.665.2000112.1T7 N8 M9 G13 G14 V15T7-H11 PolarHBondContact O-ND1 3.37Å; N8-H11 PolarHBondContact O-N 2.76Å; M9-H11 VanDerWaalsContact C-N 3.34Å; H11-G13 PolarHBondContact O-N 3.19Å; H11-G14 PolarHBondContact O-N 3.31Å; H11-V15 PolarHBondContact O-N 2.8Å
12L62.9Low68.2Low71 Ų7197 Ų9737%0.37252%0.515SS..Hα-helixtrans-59.3-48.6176.6-121.379000111.7N8 M9 G14 V15 V16 S137N8-L12 PolarHBondContact O-N 3.5Å; M9-L12 PolarHBondContact O-N 3.17Å; L12-G14 PolarHBondContact O-N 3.24Å; L12-V15 PolarHBondContact O-N 3.12Å; L12-V15 VanDerWaalsContact O-N 3.13Å; L12-V16 WeakPolarHBondContact O-CG2 3.42Å; L12-V16 PolarHBondContact O-N 3.5Å; L12-V16 VanDerWaalsContact O-N 3.09Å; L12-S137 WeakPolarHBondContact CD1-OG 3.19Å
13G73.8Confident70.7Confident44 Ų4494.9 Ų94.945%0.45449%0.488SS..Hα-helixtrans-60.9-32.8178.500000113.4M9 H11 R17M9-G13 PolarHBondContact O-N 3.44Å; H11-G13 PolarHBondContact O-N 3.19Å; G13-R17 WeakPolarHBondContact O-CB 3.38Å; G13-R17 PolarHBondContact O-N 3.23Å; G13-R17 VanDerWaalsContact O-N 3.13Å
14G83.6Confident73.1Confident31 Ų3191.8 Ų91.832%0.3247%0.472SS..Hα-helixtrans-63.5-42.8173.300000113.5E10 H11 L12 L18E10-G14 PolarHBondContact O-N 3.39Å; E10-G14 VanDerWaalsContact O-N 3.12Å; H11-G14 PolarHBondContact O-N 3.31Å; L12-G14 PolarHBondContact O-N 3.24Å; G14-L18 WeakPolarHBondContact O-CB 3.3Å; G14-L18 PolarHBondContact O-N 2.76Å
15V84.8Confident75.3Confident21 Ų2184.5 Ų84.513%0.12744%0.444CS..Hα-helixtrans-69.9-43.1179.5178.80000111.3H11 L12 R17 L18 R19 A130 L133 E134H11-V15 PolarHBondContact O-N 2.8Å; L12-V15 PolarHBondContact O-N 3.12Å; L12-V15 VanDerWaalsContact O-N 3.13Å; V15-R17 PolarHBondContact O-N 3.5Å; V15-L18 PolarHBondContact O-N 2.73Å; V15-R19 WeakPolarHBondContact O-CB 3.49Å; V15-R19 PolarHBondContact O-N 2.9Å; V15-A130 WeakPolarHBondContact CG1-O 3.45Å; V15-L133 HydrophobicContact CG1-CB 4.49Å; V15-L133 HydrophobicContact CG1-CD2 4.31Å; V15-L133 HydrophobicContact CG1-CG 4.4Å; V15-L133 HydrophobicContact CG2-CD2 3.9Å; V15-L133 HydrophobicContact CG2-CG 4.27Å; V15-E134 HydrophobicContact CG1-CB 3.99Å
16V86.9Confident77.8Confident45 Ų4581.9 Ų81.927%0.27342%0.416SS..Hα-helixtrans-59.1-49176.4175.90000110.8L12 L18 R19 E20L12-V16 WeakPolarHBondContact O-CG2 3.42Å; L12-V16 PolarHBondContact O-N 3.5Å; L12-V16 VanDerWaalsContact O-N 3.09Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-L18 PolarHBondContact O-N 2.88Å; V16-R19 WeakPolarHBondContact O-CB 3.31Å; V16-R19 PolarHBondContact O-N 2.8Å; V16-E20 WeakPolarHBondContact O-CG 3.48Å; V16-E20 PolarHBondContact O-N 2.91Å
17R91Very high80.2Confident168 Ų16881.2 Ų81.263%0.63441%0.409SS*.Hα-helixtrans-61.3-39.4176.7-174.1-176.563.7-178.8-2.8112.5G13 V15 R19 E20 E21G13-R17 WeakPolarHBondContact O-CB 3.38Å; G13-R17 PolarHBondContact O-N 3.23Å; G13-R17 VanDerWaalsContact O-N 3.13Å; V15-R17 PolarHBondContact O-N 3.5Å; R17-R19 VanDerWaalsContact C-N 3.35Å; R17-E20 PolarHBondContact O-N 2.99Å; R17-E21 PolarHBondContact O-N 3.13Å
18L90.6Very high82.3Confident84 Ų8480.1 Ų80.144%0.4440%0.401SS..Hα-helixtrans-63.5-41.2176.5179.563.7000111.7G14 V15 V16 H22G14-L18 WeakPolarHBondContact O-CB 3.3Å; G14-L18 PolarHBondContact O-N 2.76Å; V15-L18 PolarHBondContact O-N 2.73Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-L18 PolarHBondContact O-N 2.88Å; L18-H22 WeakPolarHBondContact O-CB 3.46Å; L18-H22 VanDerWaalsContact O-CG 3.29Å; L18-H22 PolarHBondContact O-N 3.27Å; L18-H22 PolarHBondContact O-ND1 2.95Å
19R90.6Very high84.3Confident74 Ų7476.1 Ų76.128%0.27938%0.379SS..Hα-helixtrans-63-42.1174.9177.8-167.5170.2-72.27.2111.5V15 V16 R17 Q23 A130 K131 E134V15-R19 WeakPolarHBondContact O-CB 3.49Å; V15-R19 PolarHBondContact O-N 2.9Å; V16-R19 WeakPolarHBondContact O-CB 3.31Å; V16-R19 PolarHBondContact O-N 2.8Å; R17-R19 VanDerWaalsContact C-N 3.35Å; R19-Q23 VanDerWaalsContact O-CB 3.3Å; R19-Q23 WeakPolarHBondContact O-CB 3.42Å; R19-Q23 PolarHBondContact O-N 3.45Å; R19-A130 HydrophobicContact CB-CB 4.03Å; R19-K131 HydrophobicContact CG-CG 4.42Å; R19-E134 VanDerWaalsContact CD-OE2 3.3Å; R19-E134 WeakPolarHBondContact CD-OE2 3.32Å; R19-E134 IonicContact NE-OE2 3.83Å
20E92.2Very high86.4Confident111 Ų11172.8 Ų72.852%0.51936%0.362SS..Hα-helixtrans-63-48.3176.5-72.2172.2170.500112.4V16 R17 H22 Q23 K24V16-E20 WeakPolarHBondContact O-CG 3.48Å; V16-E20 PolarHBondContact O-N 2.91Å; R17-E20 PolarHBondContact O-N 2.99Å; E20-H22 PolarHBondContact O-N 3.37Å; E20-Q23 PolarHBondContact O-N 2.88Å; E20-K24 PolarHBondContact O-N 3.31Å
21E92.2Very high88.3Confident104 Ų10469 Ų6949%0.48635%0.352SS..Hα-helixtrans-63-41.5176.6-70.7-63158.700112R17 Q23 K24 V25R17-E21 PolarHBondContact O-N 3.13Å; E21-Q23 PolarHBondContact O-N 3.49Å; E21-K24 PolarHBondContact O-N 2.96Å; E21-V25 WeakPolarHBondContact O-CG2 3.42Å; E21-V25 PolarHBondContact O-N 3.09Å; E21-V25 VanDerWaalsContact O-N 3.13Å
22H93.1Very high89.9Confident30 Ų3066.8 Ų66.814%0.13934%0.338CS..Hα-helixtrans-63.3-39.6173-70.5162.1000112.5L18 E20 K24 V25 V26 F123 V127L18-H22 WeakPolarHBondContact O-CB 3.46Å; L18-H22 VanDerWaalsContact O-CG 3.29Å; L18-H22 PolarHBondContact O-N 3.27Å; L18-H22 PolarHBondContact O-ND1 2.95Å; E20-H22 PolarHBondContact O-N 3.37Å; H22-K24 VanDerWaalsContact C-N 3.34Å; H22-K24 PolarHBondContact O-N 3.19Å; H22-V25 PolarHBondContact O-N 2.94Å; H22-V26 WeakPolarHBondContact O-CG2 3.37Å; H22-V26 PolarHBondContact O-N 3.23Å; H22-V26 VanDerWaalsContact O-N 3.09Å; H22-F123 HydrophobicContact CB-CD1 4.41Å; H22-F123 AromaticContact CD2-CD1 3.77Å; H22-F123 AromaticContact CD2-CE1 3.76Å; H22-V127 HydrophobicContact CB-CG2 3.52Å
23Q93.3Very high91.5Very high57 Ų5764 Ų6427%0.26632%0.323SS..Hα-helixtrans-65.2-37177.8-173.965.764.400112.1R19 E20 E21 V26 Q27R19-Q23 VanDerWaalsContact O-CB 3.3Å; R19-Q23 WeakPolarHBondContact O-CB 3.42Å; R19-Q23 PolarHBondContact O-N 3.45Å; E20-Q23 PolarHBondContact O-N 2.88Å; E21-Q23 PolarHBondContact O-N 3.49Å; Q23-V26 WeakPolarHBondContact O-CB 3.44Å; Q23-V26 PolarHBondContact O-N 3.13Å; Q23-Q27 WeakPolarHBondContact O-CG 2.91Å; Q23-Q27 PolarHBondContact O-N 3.22Å
24K95Very high92.5Very high110 Ų11068.4 Ų68.448%0.47833%0.332SS..Hα-helixtrans-62.8-43173.5-176.8-178.3174.9-172.50111.8E20 E21 H22 V26 Q27 D28E20-K24 PolarHBondContact O-N 3.31Å; E21-K24 PolarHBondContact O-N 2.96Å; H22-K24 VanDerWaalsContact C-N 3.34Å; H22-K24 PolarHBondContact O-N 3.19Å; K24-V26 VanDerWaalsContact C-N 3.29Å; K24-V26 PolarHBondContact O-N 3.29Å; K24-Q27 PolarHBondContact O-N 2.91Å; K24-D28 PolarHBondContact O-N 3.38Å
25V94.6Very high93Very high46 Ų4669 Ų6928%0.27933%0.327SS..Hα-helixtrans-62.3-35.9174.3175.40000111.9E21 H22 C29 F123E21-V25 WeakPolarHBondContact O-CG2 3.42Å; E21-V25 PolarHBondContact O-N 3.09Å; E21-V25 VanDerWaalsContact O-N 3.13Å; H22-V25 PolarHBondContact O-N 2.94Å; V25-C29 WeakPolarHBondContact O-CB 3.19Å; V25-C29 PolarHBondContact O-N 3.04Å; V25-C29 PolarHBondContact O-SG 3.06Å; V25-F123 HydrophobicContact CB-CD1 4.25Å; V25-F123 HydrophobicContact CB-CE1 4.42Å; V25-F123 HydrophobicContact CB-CG 4.38Å; V25-F123 HydrophobicContact CG1-CD1 4Å; V25-F123 HydrophobicContact CG1-CD2 3.62Å; V25-F123 HydrophobicContact CG1-CE1 4.07Å; V25-F123 HydrophobicContact CG1-CE2 3.7Å; V25-F123 HydrophobicContact CG1-CG 3.78Å; V25-F123 HydrophobicContact CG1-CZ 3.92Å
26V95Very high93.4Very high5 Ų569.3 Ų69.33%0.0333%0.325CS..Hα-helixtrans-63.2-46.6173174.30000111H22 Q23 K24 D28 C29 E30 M120 F123 E124 V127H22-V26 WeakPolarHBondContact O-CG2 3.37Å; H22-V26 PolarHBondContact O-N 3.23Å; H22-V26 VanDerWaalsContact O-N 3.09Å; Q23-V26 WeakPolarHBondContact O-CB 3.44Å; Q23-V26 PolarHBondContact O-N 3.13Å; K24-V26 VanDerWaalsContact C-N 3.29Å; K24-V26 PolarHBondContact O-N 3.29Å; V26-D28 PolarHBondContact O-N 3.23Å; V26-C29 CarbonylContact O-C 3.58Å; V26-C29 WeakPolarHBondContact O-CA 3.41Å; V26-C29 WeakPolarHBondContact O-CB 3.3Å; V26-C29 PolarHBondContact O-N 3.29Å; V26-C29 VanDerWaalsContact O-N 3.07Å; V26-E30 HydrophobicContact CG1-CG 4.38Å; V26-E30 WeakPolarHBondContact O-CG 3.33Å; V26-E30 PolarHBondContact O-N 3.5Å; V26-M120 HydrophobicContact CG1-CG 4.31Å; V26-F123 HydrophobicContact CG2-CB 3.75Å; V26-E124 HydrophobicContact CG1-CG 4.34Å; V26-E124 HydrophobicContact CG2-CG 4.29Å; V26-V127 HydrophobicContact CG2-CG2 4.4Å
27Q95.6Very high93.8Very high105 Ų10573.2 Ų73.249%0.49134%0.339SS..Hα-helixtrans-61.7-39177.5-69.9173.3-9.500113.1Q23 K24 C29 E30 S31Q23-Q27 WeakPolarHBondContact O-CG 2.91Å; Q23-Q27 PolarHBondContact O-N 3.22Å; K24-Q27 PolarHBondContact O-N 2.91Å; Q27-C29 VanDerWaalsContact C-N 3.34Å; Q27-E30 PolarHBondContact O-N 3.06Å; Q27-S31 WeakPolarHBondContact O-CB 3.3Å; Q27-S31 PolarHBondContact O-N 2.89Å; Q27-S31 PolarHBondContact O-OG 3.35Å
28D95.3Very high94Very high58 Ų5871.6 Ų71.631%0.3134%0.336SS..Hα-helixtrans-63.8-39.5172.7-77.7-15.2000111.4K24 V26 R32K24-D28 PolarHBondContact O-N 3.38Å; V26-D28 PolarHBondContact O-N 3.23Å; D28-R32 VanDerWaalsContact O-CG 3.26Å; D28-R32 WeakPolarHBondContact O-CG 3.32Å; D28-R32 PolarHBondContact O-N 3.14Å
29C94.6Very high94.1Very high2 Ų267.7 Ų67.71%0.01432%0.316CS..Hα-helixtrans-67.7-43.5175.8-69.20000112.3V25 V26 Q27 S31 R32 I33 V116 M120V25-C29 WeakPolarHBondContact O-CB 3.19Å; V25-C29 PolarHBondContact O-N 3.04Å; V25-C29 PolarHBondContact O-SG 3.06Å; V26-C29 CarbonylContact O-C 3.58Å; V26-C29 WeakPolarHBondContact O-CA 3.41Å; V26-C29 WeakPolarHBondContact O-CB 3.3Å; V26-C29 PolarHBondContact O-N 3.29Å; V26-C29 VanDerWaalsContact O-N 3.07Å; Q27-C29 VanDerWaalsContact C-N 3.34Å; C29-S31 VanDerWaalsContact C-N 3.33Å; C29-S31 PolarHBondContact O-N 3.39Å; C29-R32 PolarHBondContact O-N 3.02Å; C29-I33 WeakPolarHBondContact O-CB 3.5Å; C29-I33 VanDerWaalsContact O-CG1 3.31Å; C29-I33 WeakPolarHBondContact O-CG1 3.31Å; C29-I33 PolarHBondContact O-N 2.75Å; C29-V116 HydrophobicContact CB-CG1 4.07Å; C29-M120 HydrophobicContact CB-CB 3.97Å; C29-M120 HydrophobicContact CB-CG 4.13Å
30E94.8Very high94.3Very high82 Ų8266.7 Ų66.738%0.38332%0.316SS..Hα-helixtrans-57.1-46.7174.2-72.9173171.400111.2V26 Q27 R32 I33 Q34 M120V26-E30 HydrophobicContact CG1-CG 4.38Å; V26-E30 WeakPolarHBondContact O-CG 3.33Å; V26-E30 PolarHBondContact O-N 3.5Å; Q27-E30 PolarHBondContact O-N 3.06Å; E30-R32 PolarHBondContact O-N 2.95Å; E30-I33 PolarHBondContact O-N 3.31Å; E30-Q34 WeakPolarHBondContact O-CG 3.38Å; E30-Q34 PolarHBondContact O-N 2.94Å; E30-M120 HydrophobicContact CG-SD 4.01Å
31S95.3Very high94.4Very high69 Ų6963.8 Ų63.848%0.48331%0.311SS..Hα-helixtrans-61.1-42.6177.6-59.40000112Q27 C29 Q34 H35Q27-S31 WeakPolarHBondContact O-CB 3.3Å; Q27-S31 PolarHBondContact O-N 2.89Å; Q27-S31 PolarHBondContact O-OG 3.35Å; C29-S31 VanDerWaalsContact C-N 3.33Å; C29-S31 PolarHBondContact O-N 3.39Å; S31-Q34 PolarHBondContact O-N 3.18Å; S31-H35 PolarHBondContact O-N 3.34Å
32R93.9Very high94.4Very high86 Ų8661.6 Ų61.633%0.32530%0.302SS..Hα-helixtrans-65.5-39.4174.1-72.7168.8-177159.36.9112.4D28 C29 E30 H35 W36 V116 P447D28-R32 VanDerWaalsContact O-CG 3.26Å; D28-R32 WeakPolarHBondContact O-CG 3.32Å; D28-R32 PolarHBondContact O-N 3.14Å; C29-R32 PolarHBondContact O-N 3.02Å; E30-R32 PolarHBondContact O-N 2.95Å; R32-H35 PolarHBondContact O-N 2.9Å; R32-W36 PolarHBondContact O-N 3.05Å; R32-V116 HydrophobicContact CB-CG1 4.14Å; R32-P447 HydrophobicContact CG-CG 4.11Å
33I95.4Very high94.5Very high12 Ų1260.5 Ų60.56%0.06230%0.297CS..Hα-helixtrans-63.5-42.8176-76.3162.9000110.8C29 E30 K37 L113 V116 M120C29-I33 WeakPolarHBondContact O-CB 3.5Å; C29-I33 VanDerWaalsContact O-CG1 3.31Å; C29-I33 WeakPolarHBondContact O-CG1 3.31Å; C29-I33 PolarHBondContact O-N 2.75Å; E30-I33 PolarHBondContact O-N 3.31Å; I33-K37 HydrophobicContact CG2-CD 4.01Å; I33-K37 WeakPolarHBondContact O-CB 3.49Å; I33-K37 VanDerWaalsContact O-CG 3.24Å; I33-K37 WeakPolarHBondContact O-CG 3.48Å; I33-K37 PolarHBondContact O-N 3.01Å; I33-L113 HydrophobicContact CB-CD1 4.34Å; I33-L113 HydrophobicContact CG1-CD1 4.21Å; I33-L113 HydrophobicContact CG2-CD1 4.08Å; I33-V116 HydrophobicContact CD1-CG1 4.07Å; I33-V116 HydrophobicContact CG1-CB 4.32Å; I33-V116 HydrophobicContact CG1-CG1 3.73Å; I33-M120 HydrophobicContact CD1-CB 4.29Å; I33-M120 HydrophobicContact CD1-CE 4.14Å; I33-M120 HydrophobicContact CD1-CG 4.49Å; I33-M120 HydrophobicContact CD1-SD 3.44Å; I33-M120 WeakPolarHBondContact CD1-SD 3.39Å
34Q94.9Very high94.5Very high137 Ų13763 Ų6364%0.6431%0.309SS*.Hα-helixtrans-62.1-43.7174.7-69.5177.120.600111.6E30 S31 K37 K38E30-Q34 WeakPolarHBondContact O-CG 3.38Å; E30-Q34 PolarHBondContact O-N 2.94Å; S31-Q34 PolarHBondContact O-N 3.18Å; Q34-K37 PolarHBondContact O-N 3.48Å; Q34-K38 PolarHBondContact O-N 3.03Å
35H93.6Very high94.4Very high44 Ų4460.5 Ų60.520%0.20431%0.309CS..Hα-helixtrans-59.4-54174.8175.986.7000112.1S31 R32 K37 K38 V39 K445 P447S31-H35 PolarHBondContact O-N 3.34Å; R32-H35 PolarHBondContact O-N 2.9Å; H35-K37 VanDerWaalsContact C-N 3.3Å; H35-K37 PolarHBondContact O-N 3.47Å; H35-K38 WeakPolarHBondContact O-CA 3.37Å; H35-K38 WeakPolarHBondContact O-CB 3.49Å; H35-K38 PolarHBondContact O-N 2.91Å; H35-V39 WeakPolarHBondContact NE2-CG2 3.46Å; H35-V39 WeakPolarHBondContact O-CG2 3.46Å; H35-V39 PolarHBondContact O-N 2.64Å; H35-K445 PolarHBondContact CE1-O 2.91Å; H35-K445 PolarHBondContact NE2-O 2.91Å; H35-P447 HydrophobicContact CB-CB 4.47Å; H35-P447 HydrophobicContact CB-CG 4.03Å
36W93.9Very high94.3Very high27 Ų2759.9 Ų59.910%0.10230%0.304CS..Hα-helixtrans-63.2-34.4-179-73.4123.7000113R32 V39 L40 V109 Q112 L113R32-W36 PolarHBondContact O-N 3.05Å; W36-V39 HydrophobicContact CE3-CB 4.39Å; W36-V39 HydrophobicContact CE3-CG1 4.42Å; W36-V39 HydrophobicContact CZ3-CG1 4.48Å; W36-V39 PolarHBondContact O-N 3.48Å; W36-L40 WeakPolarHBondContact O-CB 3.42Å; W36-L40 PolarHBondContact O-N 2.83Å; W36-V109 HydrophobicContact CB-CG1 4.46Å; W36-V109 HydrophobicContact CE3-CB 4.4Å; W36-V109 HydrophobicContact CE3-CG1 3.83Å; W36-V109 HydrophobicContact CE3-CG2 4.05Å; W36-V109 HydrophobicContact CZ3-CG2 3.95Å; W36-Q112 HydrophobicContact CZ2-CB 4.39Å; W36-Q112 HydrophobicContact CZ2-CG 4.47Å; W36-L113 HydrophobicContact CB-CD1 4.01Å
37K94.6Very high94.3Very high126 Ų12659.9 Ų59.955%0.54830%0.304SS..Hα-helixtrans-61.9-41.2170.9-77.8173.4177.3178.20112.3I33 Q34 H35 L40 A41 L113I33-K37 HydrophobicContact CG2-CD 4.01Å; I33-K37 WeakPolarHBondContact O-CB 3.49Å; I33-K37 VanDerWaalsContact O-CG 3.24Å; I33-K37 WeakPolarHBondContact O-CG 3.48Å; I33-K37 PolarHBondContact O-N 3.01Å; Q34-K37 PolarHBondContact O-N 3.48Å; H35-K37 VanDerWaalsContact C-N 3.3Å; H35-K37 PolarHBondContact O-N 3.47Å; K37-L40 PolarHBondContact O-N 2.98Å; K37-A41 PolarHBondContact O-N 2.91Å; K37-A41 VanDerWaalsContact O-N 3.1Å; K37-L113 HydrophobicContact CG-CD1 4.21Å; K37-L113 HydrophobicContact CG-CD2 4.4Å
38K95Very high94.1Very high134 Ų13458.7 Ų58.758%0.58330%0.301SS*.Hα-helixtrans-63.9-49.5174.8-176.6-177.9173.2-177.60111.3Q34 H35 L40 A41 D42Q34-K38 PolarHBondContact O-N 3.03Å; H35-K38 WeakPolarHBondContact O-CA 3.37Å; H35-K38 WeakPolarHBondContact O-CB 3.49Å; H35-K38 PolarHBondContact O-N 2.91Å; K38-L40 PolarHBondContact O-N 2.86Å; K38-A41 PolarHBondContact O-N 2.79Å; K38-A41 VanDerWaalsContact O-N 3.09Å; K38-D42 VanDerWaalsContact O-CG 3.29Å; K38-D42 PolarHBondContact O-N 3.33Å
39V94.1Very high93.9Very high3 Ų357.8 Ų57.82%0.01829%0.293CS..Hα-helixtrans-58.3-37.9177.8176.20000111.1H35 W36 D42 Y43 V109 V442 E444H35-V39 WeakPolarHBondContact NE2-CG2 3.46Å; H35-V39 WeakPolarHBondContact O-CG2 3.46Å; H35-V39 PolarHBondContact O-N 2.64Å; W36-V39 HydrophobicContact CE3-CB 4.39Å; W36-V39 HydrophobicContact CE3-CG1 4.42Å; W36-V39 HydrophobicContact CZ3-CG1 4.48Å; W36-V39 PolarHBondContact O-N 3.48Å; V39-D42 PolarHBondContact O-N 3.45Å; V39-Y43 HydrophobicContact CG1-CD2 3.84Å; V39-Y43 HydrophobicContact CG1-CE2 3.8Å; V39-Y43 WeakPolarHBondContact O-CB 3.47Å; V39-Y43 WeakPolarHBondContact O-CD2 3.43Å; V39-Y43 PolarHBondContact O-N 3.19Å; V39-V109 HydrophobicContact CG1-CG2 4.17Å; V39-V442 HydrophobicContact CG1-CG1 4.27Å; V39-E444 HydrophobicContact CG1-CG 4.36Å
40L93.9Very high93.7Very high52 Ų5258 Ų5827%0.27229%0.294SS..Hα-helixtrans-63.7-44.4175-172151.7000112.2W36 K37 K38 Y43 E44 V109W36-L40 WeakPolarHBondContact O-CB 3.42Å; W36-L40 PolarHBondContact O-N 2.83Å; K37-L40 PolarHBondContact O-N 2.98Å; K38-L40 PolarHBondContact O-N 2.86Å; L40-Y43 PolarHBondContact O-N 3.06Å; L40-E44 PolarHBondContact O-N 2.81Å; L40-V109 HydrophobicContact CB-CG1 4.11Å
41A93.7Very high93.6Very high51 Ų5159.9 Ų59.942%0.42130%0.298SS..Hα-helixtrans-66-40.9176.300000112.4K37 K38 Y43 E44 A45K37-A41 PolarHBondContact O-N 2.91Å; K37-A41 VanDerWaalsContact O-N 3.1Å; K38-A41 PolarHBondContact O-N 2.79Å; K38-A41 VanDerWaalsContact O-N 3.09Å; A41-Y43 VanDerWaalsContact C-N 3.25Å; A41-Y43 PolarHBondContact O-N 3.39Å; A41-E44 PolarHBondContact O-N 2.88Å; A41-A45 PolarHBondContact O-N 3.42Å
42D92.9Very high93.3Very high57 Ų5759.9 Ų59.931%0.30530%0.295SS..Hα-helixtrans-60.6-37173.6-64.5-25.9000110.5K38 V39 L46 V442K38-D42 VanDerWaalsContact O-CG 3.29Å; K38-D42 PolarHBondContact O-N 3.33Å; V39-D42 PolarHBondContact O-N 3.45Å; D42-L46 WeakPolarHBondContact O-CB 3.47Å; D42-L46 PolarHBondContact O-N 3.23Å; D42-L46 VanDerWaalsContact O-N 3.08Å; D42-V442 HydrophobicContact CB-CG1 4.25Å; D42-V442 HydrophobicContact CB-CG2 4.06Å; D42-V442 WeakPolarHBondContact O-CG2 3.38Å
43Y94.2Very high93.1Very high7 Ų756.4 Ų56.43%0.02728%0.283CS..Hα-helixtrans-71.8-35.7174.7-92.1-51.1000114.6V39 L40 A41 L46 D47 V102 R105 M106 V109 V442 E444V39-Y43 HydrophobicContact CG1-CD2 3.84Å; V39-Y43 HydrophobicContact CG1-CE2 3.8Å; V39-Y43 WeakPolarHBondContact O-CB 3.47Å; V39-Y43 WeakPolarHBondContact O-CD2 3.43Å; V39-Y43 PolarHBondContact O-N 3.19Å; L40-Y43 PolarHBondContact O-N 3.06Å; A41-Y43 VanDerWaalsContact C-N 3.25Å; A41-Y43 PolarHBondContact O-N 3.39Å; Y43-L46 HydrophobicContact CD1-CD2 4.2Å; Y43-L46 HydrophobicContact CE1-CD2 4.24Å; Y43-L46 PolarHBondContact O-N 3.13Å; Y43-D47 PolarHBondContact O-N 2.98Å; Y43-V102 HydrophobicContact CD1-CB 4.47Å; Y43-V102 HydrophobicContact CD1-CG1 3.81Å; Y43-V102 HydrophobicContact CD1-CG2 4.25Å; Y43-V102 HydrophobicContact CE1-CG2 4.3Å; Y43-R105 HydrophobicContact CE1-CB 4.4Å; Y43-R105 HydrophobicContact CE2-CB 4.1Å; Y43-R105 WeakPolarHBondContact OH-CD 3.26Å; Y43-R105 PolarHBondContact OH-NH1 2.9Å; Y43-M106 HydrophobicContact CG-CG 4.21Å; Y43-V109 HydrophobicContact CD2-CG2 4.39Å; Y43-V109 HydrophobicContact CE2-CG2 4.32Å; Y43-V442 HydrophobicContact CD1-CB 4.3Å; Y43-V442 HydrophobicContact CD1-CG1 4.12Å; Y43-V442 HydrophobicContact CD1-CG2 3.81Å; Y43-V442 HydrophobicContact CD2-CG1 3.96Å; Y43-V442 HydrophobicContact CE1-CB 3.98Å; Y43-V442 HydrophobicContact CE1-CG1 3.84Å; Y43-V442 HydrophobicContact CE1-CG2 3.95Å; Y43-V442 HydrophobicContact CE2-CG1 3.69Å; Y43-V442 HydrophobicContact CG-CG1 4.14Å; Y43-V442 HydrophobicContact CG-CG2 4.26Å; Y43-E444 HydrophobicContact CE2-CG 4.1Å; Y43-E444 WeakPolarHBondContact OH-CG 3.25Å; Y43-E444 PolarHBondContact OH-OE1 2.82Å; Y43-E444 VanDerWaalsContact OH-OE1 3.08Å; Y43-E444 PolarHBondContact OH-OE2 2.9Å; Y43-E444 VanDerWaalsContact OH-OE2 3.14Å
44E93.9Very high92.8Very high109 Ų10957.7 Ų57.751%0.50929%0.292SS..Hα-helixtrans-65.2-46.6175.5-172.9164.7-148.300110.5L40 A41 L46 D47 D48 M106L40-E44 PolarHBondContact O-N 2.81Å; A41-E44 PolarHBondContact O-N 2.88Å; E44-L46 VanDerWaalsContact C-N 3.27Å; E44-L46 PolarHBondContact O-N 3.29Å; E44-D47 PolarHBondContact O-N 3.38Å; E44-D47 VanDerWaalsContact O-N 3.15Å; E44-D48 PolarHBondContact O-N 3.26Å; E44-M106 HydrophobicContact CB-CE 4.17Å
45A93.7Very high92.6Very high59 Ų5956.9 Ų56.949%0.48829%0.292SS..Hα-helixtrans-59-36.5172.100000112.7A41 R49A41-A45 PolarHBondContact O-N 3.42Å; A45-R49 WeakPolarHBondContact O-CB 3.42Å; A45-R49 PolarHBondContact O-N 3.09Å
46L92.8Very high92.2Very high33 Ų3359.9 Ų59.917%0.17331%0.306CS..Hα-helixtrans-70.2-39.4174.1177.959.9000112.8D42 Y43 E44 R49 L50 V102 V442D42-L46 WeakPolarHBondContact O-CB 3.47Å; D42-L46 PolarHBondContact O-N 3.23Å; D42-L46 VanDerWaalsContact O-N 3.08Å; Y43-L46 HydrophobicContact CD1-CD2 4.2Å; Y43-L46 HydrophobicContact CE1-CD2 4.24Å; Y43-L46 PolarHBondContact O-N 3.13Å; E44-L46 VanDerWaalsContact C-N 3.27Å; E44-L46 PolarHBondContact O-N 3.29Å; L46-R49 PolarHBondContact O-N 3.32Å; L46-L50 HydrophobicContact CD1-CD1 3.94Å; L46-L50 HydrophobicContact CD1-CD2 4.5Å; L46-L50 HydrophobicContact CD1-CG 3.87Å; L46-L50 HydrophobicContact CG-CD1 3.92Å; L46-L50 HydrophobicContact CG-CG 4.3Å; L46-L50 WeakPolarHBondContact O-CB 3.49Å; L46-L50 VanDerWaalsContact O-CG 3.27Å; L46-L50 WeakPolarHBondContact O-CG 3.48Å; L46-L50 PolarHBondContact O-N 2.86Å; L46-V102 HydrophobicContact CD2-CG2 3.72Å; L46-V102 HydrophobicContact CG-CG2 4.08Å; L46-V442 HydrophobicContact CB-CG2 3.95Å; L46-V442 HydrophobicContact CD2-CB 4.5Å; L46-V442 HydrophobicContact CD2-CG2 3.66Å; L46-V442 HydrophobicContact CG-CG2 4.43Å
47D93.2Very high91.9Very high5 Ų565.8 Ų65.83%0.02734%0.339CS..Hα-helixtrans-62.5-43.7176.2-16778.2000110.9Y43 E44 L50 R51 Q99 V102 K103Y43-D47 PolarHBondContact O-N 2.98Å; E44-D47 PolarHBondContact O-N 3.38Å; E44-D47 VanDerWaalsContact O-N 3.15Å; D47-L50 PolarHBondContact O-N 3.46Å; D47-R51 VanDerWaalsContact O-CG 3.3Å; D47-R51 WeakPolarHBondContact O-CG 3.5Å; D47-R51 PolarHBondContact O-N 3.49Å; D47-R51 IonicContact OD2-CZ 2.68Å; D47-R51 IonicContact OD2-NE 2.84Å; D47-R51 PolarHBondContact OD2-NE 2.8Å; D47-R51 IonicContact OD2-NH2 3.59Å; D47-R51 PolarHBondContact OD2-NH2 2.92Å; D47-Q99 WeakPolarHBondContact OD1-CG 3.47Å; D47-Q99 PolarHBondContact OD1-NE2 3.48Å; D47-Q99 VanDerWaalsContact OD1-NE2 3.12Å; D47-Q99 PolarHBondContact OD2-NE2 2.92Å; D47-V102 HydrophobicContact CB-CG1 4.05Å; D47-K103 VanDerWaalsContact OD1-CE 3.23Å; D47-K103 WeakPolarHBondContact OD1-CE 3.33Å
48D92.6Very high91.5Very high80 Ų8063 Ų6343%0.42833%0.334SS..Hα-helixtrans-67-37.8176.8-77.5-19.9000112.7E44 R51 T52E44-D48 PolarHBondContact O-N 3.26Å; D48-R51 WeakPolarHBondContact O-CB 3.03Å; D48-R51 PolarHBondContact O-N 3.26Å; D48-R51 IonicContact OD1-CZ 2.88Å; D48-R51 IonicContact OD1-NE 3.01Å; D48-R51 IonicContact OD1-NH1 2.69Å; D48-T52 PolarHBondContact O-N 2.79Å; D48-T52 PolarHBondContact O-OG1 3.01Å
49R90.1Very high91.2Very high38 Ų3858.6 Ų58.614%0.14331%0.314CS..Hα-helixtrans-65.9-41.7172.1-171.852.5169.7-118.416.4111.6A45 L46 R51 T52 L53 E436A45-R49 WeakPolarHBondContact O-CB 3.42Å; A45-R49 PolarHBondContact O-N 3.09Å; L46-R49 PolarHBondContact O-N 3.32Å; R49-R51 PolarHBondContact O-N 3.4Å; R49-T52 PolarHBondContact O-N 3.01Å; R49-T52 PolarHBondContact O-OG1 3.43Å; R49-L53 WeakPolarHBondContact O-CB 3.39Å; R49-L53 PolarHBondContact O-N 2.96Å; R49-E436 IonicContact CZ-OE1 3.22Å; R49-E436 IonicContact NH1-OE1 3.8Å; R49-E436 PolarHBondContact NH1-OE1 3.02Å; R49-E436 IonicContact NH2-OE1 3.83Å
50L91.4Very high91Very high7 Ų759.8 Ų59.84%0.03732%0.321CS..Hα-helixtrans-68.5-20.2176.6-72.3172.6000113.6L46 D47 P54 V81 A98 V102L46-L50 HydrophobicContact CD1-CD1 3.94Å; L46-L50 HydrophobicContact CD1-CD2 4.5Å; L46-L50 HydrophobicContact CD1-CG 3.87Å; L46-L50 HydrophobicContact CG-CD1 3.92Å; L46-L50 HydrophobicContact CG-CG 4.3Å; L46-L50 WeakPolarHBondContact O-CB 3.49Å; L46-L50 VanDerWaalsContact O-CG 3.27Å; L46-L50 WeakPolarHBondContact O-CG 3.48Å; L46-L50 PolarHBondContact O-N 2.86Å; D47-L50 PolarHBondContact O-N 3.46Å; L50-P54 WeakPolarHBondContact O-CD 3.38Å; L50-V81 HydrophobicContact CD2-CG1 4.41Å; L50-V81 HydrophobicContact CD2-CG2 4.01Å; L50-A98 HydrophobicContact CD1-CB 3.96Å; L50-A98 HydrophobicContact CD2-CB 4.17Å; L50-V102 HydrophobicContact CD1-CG2 3.82Å
51R91.8Very high90.8Very high121 Ų12157.7 Ų57.746%0.45731%0.31SS..Hα-helixtrans-71.4-44.2170.9-73.8170.1-165.9-161.98.7112.1D47 D48 R49 P54 Q99D47-R51 VanDerWaalsContact O-CG 3.3Å; D47-R51 WeakPolarHBondContact O-CG 3.5Å; D47-R51 PolarHBondContact O-N 3.49Å; D47-R51 IonicContact OD2-CZ 2.68Å; D47-R51 IonicContact OD2-NE 2.84Å; D47-R51 PolarHBondContact OD2-NE 2.8Å; D47-R51 IonicContact OD2-NH2 3.59Å; D47-R51 PolarHBondContact OD2-NH2 2.92Å; D48-R51 WeakPolarHBondContact O-CB 3.03Å; D48-R51 PolarHBondContact O-N 3.26Å; D48-R51 IonicContact OD1-CZ 2.88Å; D48-R51 IonicContact OD1-NE 3.01Å; D48-R51 IonicContact OD1-NH1 2.69Å; R49-R51 PolarHBondContact O-N 3.4Å; R51-P54 WeakPolarHBondContact O-CD 3.31Å; R51-Q99 VanDerWaalsContact CG-NE2 3.34Å
52T90.2Very high90.7Very high69 Ų6957.4 Ų57.442%0.42330%0.3SS..Hα-helixtrans-89-26.1-173.252.30000114D48 R49 P54 D55 Y59D48-T52 PolarHBondContact O-N 2.79Å; D48-T52 PolarHBondContact O-OG1 3.01Å; R49-T52 PolarHBondContact O-N 3.01Å; R49-T52 PolarHBondContact O-OG1 3.43Å; T52-P54 VanDerWaalsContact C-N 3.33Å; T52-D55 WeakPolarHBondContact CA-OD2 3.37Å; T52-D55 WeakPolarHBondContact O-CB 3.45Å; T52-D55 PolarHBondContact O-N 3.2Å; T52-D55 VanDerWaalsContact O-N 3.1Å; T52-Y59 PolarHBondContact O-OH 3.47Å
53L88.4Confident90.5Very high14 Ų1457 Ų577%0.07330%0.3CS..G310 helixtrans-52.6-39.4-179.7-154.867.2000114.5R49 D55 Y59 L75 T78 V81R49-L53 WeakPolarHBondContact O-CB 3.39Å; R49-L53 PolarHBondContact O-N 2.96Å; L53-D55 PolarHBondContact O-N 3.04Å; L53-Y59 HydrophobicContact CD1-CD2 4.45Å; L53-Y59 HydrophobicContact CD1-CE2 4.19Å; L53-Y59 WeakPolarHBondContact O-CE2 3.47Å; L53-Y59 PolarHBondContact O-OH 2.84Å; L53-L75 HydrophobicContact CD1-CD2 3.8Å; L53-T78 VanDerWaalsContact CD2-O 3.32Å; L53-T78 WeakPolarHBondContact CD2-O 3.44Å; L53-T78 WeakPolarHBondContact CG-O 3.45Å; L53-T78 VanDerWaalsContact O-CB 3.26Å; L53-T78 WeakPolarHBondContact O-CB 3.47Å; L53-T78 PolarHBondContact O-OG1 3.05Å; L53-V81 HydrophobicContact CD2-CG2 4.2Å
54P89.9Confident90.3Very high38 Ų3859.6 Ų59.625%0.24732%0.317CS..G310 helixtrans-72-8.9-179.4-20.636.2000115.3L50 R51 T52 Q56 A95L50-P54 WeakPolarHBondContact O-CD 3.38Å; R51-P54 WeakPolarHBondContact O-CD 3.31Å; T52-P54 VanDerWaalsContact C-N 3.33Å; P54-Q56 VanDerWaalsContact C-N 3.3Å; P54-Q56 PolarHBondContact O-N 3.42Å; P54-A95 HydrophobicContact CG-CB 3.67Å
55D89.8Confident89.9Confident120 Ų12061.1 Ų61.164%0.64232%0.322SS*.G310 helixtrans-75.3-19.3-170.9-60.8-23.2000112.9T52 L53T52-D55 WeakPolarHBondContact CA-OD2 3.37Å; T52-D55 WeakPolarHBondContact O-CB 3.45Å; T52-D55 PolarHBondContact O-N 3.2Å; T52-D55 VanDerWaalsContact O-N 3.1Å; L53-D55 PolarHBondContact O-N 3.04Å
56Q87Confident89.7Confident107 Ų10759.6 Ų59.650%0.531%0.313SS..SBendtrans-131.6145.8173-52.2-178.612.500110.3P54 C58 Y59 T78P54-Q56 VanDerWaalsContact C-N 3.3Å; P54-Q56 PolarHBondContact O-N 3.42Å; Q56-C58 VanDerWaalsContact C-N 3.34Å; Q56-Y59 HydrophobicContact CB-CE1 3.99Å; Q56-Y59 HydrophobicContact CB-CE2 3.93Å; Q56-Y59 HydrophobicContact CG-CE1 3.93Å; Q56-Y59 PolarHBondContact N-OH 3.16Å; Q56-T78 WeakPolarHBondContact O-CB 3.35Å; Q56-T78 VanDerWaalsContact O-CG2 3.31Å; Q56-T78 WeakPolarHBondContact O-CG2 3.25Å; Q56-T78 PolarHBondContact O-OG1 2.92Å
57L86.4Confident89.3Confident152 Ų15264.4 Ų64.480%0.79635%0.346SS*.SBendtrans-75.1-22.3179.9-65.7174.1000113.7
58C87Confident89.1Confident67 Ų6772.2 Ų72.245%0.45339%0.387SS..EExtended strand (participates in β ladder)trans-149.7148.4176.5660000111.5Q56 L75Q56-C58 VanDerWaalsContact C-N 3.34Å; C58-L75 WeakPolarHBondContact CA-O 3.35Å; C58-L75 VanDerWaalsContact CB-O 3.26Å; C58-L75 WeakPolarHBondContact CB-O 3.41Å
59Y87.9Confident89.1Confident41 Ų4170.8 Ų70.816%0.16139%0.386CS..EExtended strand (participates in β ladder)trans-128.4139.6175.5-66.6-90.1000110.2T52 L53 Q56 K74 L75 T78T52-Y59 PolarHBondContact O-OH 3.47Å; L53-Y59 HydrophobicContact CD1-CD2 4.45Å; L53-Y59 HydrophobicContact CD1-CE2 4.19Å; L53-Y59 WeakPolarHBondContact O-CE2 3.47Å; L53-Y59 PolarHBondContact O-OH 2.84Å; Q56-Y59 HydrophobicContact CB-CE1 3.99Å; Q56-Y59 HydrophobicContact CB-CE2 3.93Å; Q56-Y59 HydrophobicContact CG-CE1 3.93Å; Q56-Y59 PolarHBondContact N-OH 3.16Å; Y59-K74 CarbonylContact O-C 3.52Å; Y59-K74 VanDerWaalsContact O-CA 3.3Å; Y59-K74 WeakPolarHBondContact O-CA 3.5Å; Y59-L75 HydrophobicContact CD2-CD2 4.4Å; Y59-L75 PolarHBondContact N-O 2.9Å; Y59-L75 PolarHBondContact O-N 2.81Å; Y59-T78 HydrophobicContact CD2-CG2 3.57Å; Y59-T78 HydrophobicContact CE2-CG2 3.67Å
60D90.5Very high89.1Confident29 Ų2974.1 Ų74.116%0.15540%0.402CS..EExtended strand (participates in β ladder)trans-80.5118.1168.4-66.4-44.1000108.9K74 R434 F435D60-K74 WeakPolarHBondContact OD1-CE 3.24Å; D60-K74 WeakPolarHBondContact OD1-CG 3.33Å; D60-K74 IonicContact OD1-NZ 2.64Å; D60-K74 PolarHBondContact OD1-NZ 2.81Å; D60-K74 IonicContact OD2-NZ 2.76Å; D60-R434 IonicContact OD2-CZ 3.66Å; D60-R434 IonicContact OD2-NE 2.79Å; D60-R434 PolarHBondContact OD2-NE 3.16Å; D60-R434 IonicContact OD2-NH2 3.73Å; D60-R434 PolarHBondContact OD2-NH2 2.89Å; D60-F435 HydrophobicContact CB-CD1 3.75Å; D60-F435 HydrophobicContact CB-CE1 3.78Å
61I90Very high89.2Confident8 Ų878.5 Ų78.54%0.04142%0.424CS..EExtended strand (participates in β ladder)trans-134.7153-172.656.2162.2000112.8V63 G73 L75 E436 F438I61-V63 HydrophobicContact CD1-CG2 3.94Å; I61-V63 HydrophobicContact CG1-CG2 4.11Å; I61-G73 PolarHBondContact N-O 3.14Å; I61-G73 CarbonylContact O-C 3.55Å; I61-G73 PolarHBondContact O-N 3.41Å; I61-G73 VanDerWaalsContact O-O 3.09Å; I61-L75 HydrophobicContact CD1-CB 3.98Å; I61-L75 HydrophobicContact CG1-CB 4.36Å; I61-E436 CarbonylContact C-O 3.58Å; I61-E436 VanDerWaalsContact CA-O 3.28Å; I61-E436 WeakPolarHBondContact CA-O 3.3Å; I61-E436 WeakPolarHBondContact CB-O 3.37Å; I61-F438 HydrophobicContact CD1-CB 4.12Å; I61-F438 HydrophobicContact CD1-CD2 4.02Å; I61-F438 HydrophobicContact CD1-CG 4.39Å
62M90.3Very high89.3Confident45 Ų4576.5 Ų76.522%0.22243%0.426CS..EExtended strand (participates in β ladder)trans-84.9110.6164.3-66.2-51.8-71.200109.1F70 P72 F435 E436 F438M62-F70 HydrophobicContact CB-CB 4.23Å; M62-F70 HydrophobicContact CB-CD1 4.23Å; M62-F70 HydrophobicContact CE-CB 3.8Å; M62-P72 HydrophobicContact SD-CB 4.1Å; M62-F435 HydrophobicContact CG-CB 3.55Å; M62-F435 HydrophobicContact SD-CB 3.62Å; M62-F435 HydrophobicContact SD-CD2 4.45Å; M62-F435 HydrophobicContact SD-CG 3.98Å; M62-E436 PolarHBondContact N-O 3.07Å; M62-F438 PolarHBondContact O-N 2.92Å
63V89.8Confident89.3Confident48 Ų4874.1 Ų74.129%0.29142%0.416SS..EExtended strand (participates in β ladder)trans-83.1122.9179.1-178.80000109.1I61 F65 F70 M71I61-V63 HydrophobicContact CD1-CG2 3.94Å; I61-V63 HydrophobicContact CG1-CG2 4.11Å; V63-F65 HydrophobicContact CB-CE2 4.05Å; V63-F65 HydrophobicContact CG1-CD2 4.29Å; V63-F65 HydrophobicContact CG1-CE2 3.78Å; V63-F65 WeakPolarHBondContact O-CD2 3.45Å; V63-F70 WeakPolarHBondContact O-CA 3.41Å; V63-M71 PolarHBondContact N-O 3.09Å; V63-M71 PolarHBondContact O-N 3.26Å
64P89.4Confident89.4Confident62 Ų6280.2 Ų80.240%0.40344%0.441SS..EExtended strand (participates in β ladder)trans-74.7125.9175.529.1-32.6000111.2F70P64-F70 HydrophobicContact CB-CD1 4.03Å; P64-F70 HydrophobicContact CB-CE1 3.84Å
65F86.6Confident89.4Confident140 Ų14080.3 Ų80.361%0.61444%0.439SS*.EExtended strand (participates in β ladder)trans-102-15.5170.9-80.5-100000112.4V63 A69 M71V63-F65 HydrophobicContact CB-CE2 4.05Å; V63-F65 HydrophobicContact CG1-CD2 4.29Å; V63-F65 HydrophobicContact CG1-CE2 3.78Å; V63-F65 WeakPolarHBondContact O-CD2 3.45Å; F65-A69 PolarHBondContact N-O 3.06Å; F65-M71 HydrophobicContact CD2-CB 3.74Å; F65-M71 HydrophobicContact CE2-CB 3.55Å; F65-M71 HydrophobicContact CE2-CE 3.7Å; F65-M71 HydrophobicContact CE2-CG 4.4Å; F65-M71 HydrophobicContact CE2-SD 4.12Å; F65-M71 HydrophobicContact CZ-CE 3.59Å; F65-M71 HydrophobicContact CZ-SD 4.19Å
66G88.6Confident89.4Confident28 Ų2878.7 Ų78.729%0.28943%0.434SS..EExtended strand (participates in β ladder)trans-171.1-179.4174.200000110.7L68 A69G66-L68 PolarHBondContact O-N 3.01Å; G66-A69 PolarHBondContact N-O 2.97Å; G66-A69 PolarHBondContact O-N 2.81Å
67P85.1Confident89.4Confident133 Ų13379.7 Ų79.786%0.86444%0.438SS*.THydrogen-bonded Turntrans-58.5-25-173.1-26.835.6000115.5
68L88.3Confident89.5Confident170 Ų17072.7 Ų72.789%0.8940%0.402SS*.THydrogen-bonded Turntrans-127.47.4-178.1-61.7174.6000113G66G66-L68 PolarHBondContact O-N 3.01Å
69A92.1Very high89.7Confident50 Ų5073.4 Ų73.441%0.41340%0.401SS..EExtended strand (participates in β ladder)trans-123.8119.7-171.200000110.9F65 G66F65-A69 PolarHBondContact N-O 3.06Å; G66-A69 PolarHBondContact N-O 2.97Å; G66-A69 PolarHBondContact O-N 2.81Å
70F91.6Very high89.9Confident107 Ų10776.6 Ų76.647%0.46942%0.417SS..EExtended strand (participates in β ladder)trans-127.9138.9-178.6-63.2-92.4000110.5M62 V63 P64M62-F70 HydrophobicContact CB-CB 4.23Å; M62-F70 HydrophobicContact CB-CD1 4.23Å; M62-F70 HydrophobicContact CE-CB 3.8Å; V63-F70 WeakPolarHBondContact O-CA 3.41Å; P64-F70 HydrophobicContact CB-CD1 4.03Å; P64-F70 HydrophobicContact CB-CE1 3.84Å
71M92.4Very high90Very high100 Ų10076.7 Ų76.749%0.49342%0.419SS..EExtended strand (participates in β ladder)trans-120.4137.9177-165.317778.500109.8V63 F65 G73V63-M71 PolarHBondContact N-O 3.09Å; V63-M71 PolarHBondContact O-N 3.26Å; F65-M71 HydrophobicContact CD2-CB 3.74Å; F65-M71 HydrophobicContact CE2-CB 3.55Å; F65-M71 HydrophobicContact CE2-CE 3.7Å; F65-M71 HydrophobicContact CE2-CG 4.4Å; F65-M71 HydrophobicContact CE2-SD 4.12Å; F65-M71 HydrophobicContact CZ-CE 3.59Å; F65-M71 HydrophobicContact CZ-SD 4.19Å; M71-G73 PolarHBondContact O-N 3.16Å
72P93.7Very high90.1Very high78 Ų7880.6 Ų80.651%0.50644%0.443SS..EExtended strand (participates in β ladder)trans-65.2132.9174.427.8-34.6000110.3M62 F435M62-P72 HydrophobicContact SD-CB 4.1Å; P72-F435 HydrophobicContact CB-CD1 4.48Å; P72-F435 HydrophobicContact CB-CE1 4.27Å
73G90.8Very high90.2Very high20 Ų2079.4 Ų79.421%0.20644%0.439CS..EExtended strand (participates in β ladder)trans-151.1-178.4-179.600000112.4I61 M71I61-G73 PolarHBondContact N-O 3.14Å; I61-G73 CarbonylContact O-C 3.55Å; I61-G73 PolarHBondContact O-N 3.41Å; I61-G73 VanDerWaalsContact O-O 3.09Å; M71-G73 PolarHBondContact O-N 3.16Å
74K90.3Very high90.3Very high141 Ų14180.3 Ų80.361%0.61344%0.442SS*.EExtended strand (participates in β ladder)trans-127.5129.3176.4-65.1-177.8-179.8-84.60109.8Y59 D60Y59-K74 CarbonylContact O-C 3.52Å; Y59-K74 VanDerWaalsContact O-CA 3.3Å; Y59-K74 WeakPolarHBondContact O-CA 3.5Å; D60-K74 WeakPolarHBondContact OD1-CE 3.24Å; D60-K74 WeakPolarHBondContact OD1-CG 3.33Å; D60-K74 IonicContact OD1-NZ 2.64Å; D60-K74 PolarHBondContact OD1-NZ 2.81Å; D60-K74 IonicContact OD2-NZ 2.76Å
75L90Very high90.4Very high40 Ų4082 Ų8221%0.20945%0.447CS..EExtended strand (participates in β ladder)trans-78.5131.8166.6-173.162.5000108.7L53 C58 Y59 I61 T78 F438L53-L75 HydrophobicContact CD1-CD2 3.8Å; C58-L75 WeakPolarHBondContact CA-O 3.35Å; C58-L75 VanDerWaalsContact CB-O 3.26Å; C58-L75 WeakPolarHBondContact CB-O 3.41Å; Y59-L75 HydrophobicContact CD2-CD2 4.4Å; Y59-L75 PolarHBondContact N-O 2.9Å; Y59-L75 PolarHBondContact O-N 2.81Å; I61-L75 HydrophobicContact CD1-CB 3.98Å; I61-L75 HydrophobicContact CG1-CB 4.36Å; L75-T78 HydrophobicContact CD2-CG2 4.15Å; L75-T78 HydrophobicContact CG-CG2 4.21Å; L75-F438 HydrophobicContact CD2-CE2 4.14Å
76V89.2Confident90.5Very high87 Ų8777 Ų7753%0.52743%0.434SS..EExtended strand (participates in β ladder)trans-129148.8180-172.80000108.1
77H88.5Confident90.5Very high128 Ų12882.8 Ų82.859%0.59346%0.458SS*.  trans60.153.6-174.7-50.6117.3000113.1N79 E80H77-N79 PolarHBondContact O-N 3.45Å; H77-N79 VanDerWaalsContact O-N 3.07Å; H77-E80 HydrophobicContact CB-CB 4.19Å; H77-E80 HydrophobicContact CB-CG 4.45Å; H77-E80 PolarHBondContact O-N 3.41Å
78T88.2Confident90.8Very high5 Ų582.8 Ų82.83%0.03145%0.451CS..THydrogen-bonded Turntrans-58.1-20.9-176.852.90000115.8L53 Q56 Y59 L75L53-T78 VanDerWaalsContact CD2-O 3.32Å; L53-T78 WeakPolarHBondContact CD2-O 3.44Å; L53-T78 WeakPolarHBondContact CG-O 3.45Å; L53-T78 VanDerWaalsContact O-CB 3.26Å; L53-T78 WeakPolarHBondContact O-CB 3.47Å; L53-T78 PolarHBondContact O-OG1 3.05Å; Q56-T78 WeakPolarHBondContact O-CB 3.35Å; Q56-T78 VanDerWaalsContact O-CG2 3.31Å; Q56-T78 WeakPolarHBondContact O-CG2 3.25Å; Q56-T78 PolarHBondContact O-OG1 2.92Å; Y59-T78 HydrophobicContact CD2-CG2 3.57Å; Y59-T78 HydrophobicContact CE2-CG2 3.67Å; L75-T78 HydrophobicContact CD2-CG2 4.15Å; L75-T78 HydrophobicContact CG-CG2 4.21Å
79N91.1Very high91Very high81 Ų8183.9 Ų83.943%0.43344%0.444SS..THydrogen-bonded Turntrans-81.2-23.8172.1-168.811.3000112.6H77 V81 S94 A95H77-N79 PolarHBondContact O-N 3.45Å; H77-N79 VanDerWaalsContact O-N 3.07Å; N79-V81 PolarHBondContact O-N 3.05Å; N79-S94 CarbonylContact O-C 3.4Å; N79-S94 VanDerWaalsContact O-CA 3.24Å; N79-S94 WeakPolarHBondContact O-CA 3.36Å; N79-S94 PolarHBondContact OD1-OG 3.11Å; N79-A95 PolarHBondContact O-N 3.26Å; N79-A95 PolarHBondContact OD1-N 3.16Å
80E91.5Very high91.1Very high108 Ų10887.6 Ų87.651%0.50545%0.451SS..EExtended strand (participates in β ladder)trans-88.1104.9178.1-72.5-170.4-147.600111.2H77 K92H77-E80 HydrophobicContact CB-CB 4.19Å; H77-E80 HydrophobicContact CB-CG 4.45Å; H77-E80 PolarHBondContact O-N 3.41Å; E80-K92 IonicContact OE2-NZ 3.83Å; E80-K92 PolarHBondContact OE2-NZ 3.26Å
81V92.4Very high91.2Very high32 Ų3283.8 Ų83.819%0.19444%0.439CS..EExtended strand (participates in β ladder)trans-110.7135.4179-176.80000109.5L50 L53 N79 V83 C93 A95 A98L50-V81 HydrophobicContact CD2-CG1 4.41Å; L50-V81 HydrophobicContact CD2-CG2 4.01Å; L53-V81 HydrophobicContact CD2-CG2 4.2Å; N79-V81 PolarHBondContact O-N 3.05Å; V81-V83 HydrophobicContact CG1-CG2 4.17Å; V81-C93 PolarHBondContact N-O 3.03Å; V81-C93 PolarHBondContact O-N 3.32Å; V81-C93 VanDerWaalsContact O-O 3.09Å; V81-A95 HydrophobicContact CG2-CB 4.26Å; V81-A98 HydrophobicContact CB-CB 4.44Å; V81-A98 HydrophobicContact CG1-CB 4.43Å
82T92.4Very high91.3Very high89 Ų8986.3 Ų86.355%0.54645%0.447SS..EExtended strand (participates in β ladder)trans-93.6117.3172.7-59.80000109.4F90 A91T82-F90 HydrophobicContact CG2-CB 3.74Å; T82-F90 HydrophobicContact CG2-CD1 4.02Å; T82-F90 HydrophobicContact CG2-CG 4.24Å; T82-A91 WeakPolarHBondContact CA-O 3.26Å
83V92.7Very high91.3Very high20 Ų2083.5 Ų83.512%0.12143%0.429CS..EExtended strand (participates in β ladder)trans-108.7129.1-174.9-177.30000109.9V81 L85 F90 A91 C93 A98 I101V81-V83 HydrophobicContact CG1-CG2 4.17Å; V83-L85 PolarHBondContact O-N 3.49Å; V83-F90 WeakPolarHBondContact O-CA 3.46Å; V83-A91 PolarHBondContact N-O 3.06Å; V83-A91 PolarHBondContact O-N 2.89Å; V83-C93 HydrophobicContact CG2-CB 4.05Å; V83-A98 HydrophobicContact CG2-CB 3.79Å; V83-I101 HydrophobicContact CG1-CD1 4.09Å; V83-I101 HydrophobicContact CG1-CG2 4.29Å
84L92.4Very high91.4Very high68 Ų6884.2 Ų84.236%0.35643%0.431SS..EExtended strand (participates in β ladder)trans-71.6116.8167.8173.362.9000109.1F90 R105L84-F90 HydrophobicContact CB-CD1 4.02Å; L84-F90 HydrophobicContact CB-CE1 3.74Å; L84-F90 HydrophobicContact CB-CZ 4.5Å; L84-F90 HydrophobicContact CD1-CD1 4.44Å; L84-F90 HydrophobicContact CD1-CE1 4.04Å; L84-F90 HydrophobicContact CD1-CE2 4.39Å; L84-F90 HydrophobicContact CD1-CZ 4.01Å; L84-F90 HydrophobicContact CG-CE1 4.4Å; L84-R105 PolarHBondContact O-NH2 2.91Å
85L90.2Very high91.5Very high98 Ų9877.5 Ų77.551%0.51340%0.402SS..EExtended strand (participates in β ladder)trans-84.6-37.4177.9-65.7179.4000112.5V83 W89 A91 I101 R105V83-L85 PolarHBondContact O-N 3.49Å; L85-W89 PolarHBondContact N-O 2.85Å; L85-A91 HydrophobicContact CD1-CB 3.84Å; L85-A91 HydrophobicContact CG-CB 4.22Å; L85-I101 HydrophobicContact CD2-CD1 4.29Å; L85-R105 PolarHBondContact O-NH2 3.43Å; L85-R105 VanDerWaalsContact O-NH2 3.07Å
86G89.3Confident91.7Very high33 Ų3380.8 Ų80.834%0.3442%0.415SS..EExtended strand (participates in β ladder)trans160.9163.9-17700000109.4N88 W89G86-N88 PolarHBondContact O-N 3.46Å; G86-W89 WeakPolarHBondContact O-CB 3.42Å; G86-W89 PolarHBondContact O-N 3.01Å
87D89.3Confident91.9Very high150 Ų15081.7 Ų81.780%0.80241%0.413SS*.THydrogen-bonded Turntrans47.933.2173.5-59.6-26.6000116.5W89D87-W89 PolarHBondContact O-N 3.2Å
88N89.4Confident92.2Very high134 Ų13475.7 Ų75.772%0.71739%0.386SS*.THydrogen-bonded Turntrans6119.5-172.9-48-63.8000115.1G86 F90G86-N88 PolarHBondContact O-N 3.46Å; N88-F90 HydrophobicContact CB-CE2 4.49Å; N88-F90 WeakPolarHBondContact O-CD2 3.38Å; N88-F90 VanDerWaalsContact O-CE2 3.29Å; N88-F90 WeakPolarHBondContact O-CE2 3.37Å
89W94Very high92.4Very high193 Ų19376.7 Ų76.773%0.73139%0.39SS*.EExtended strand (participates in β ladder)trans-83125168.9-75.575.2000111L85 G86 D87L85-W89 PolarHBondContact N-O 2.85Å; G86-W89 WeakPolarHBondContact O-CB 3.42Å; G86-W89 PolarHBondContact O-N 3.01Å; D87-W89 PolarHBondContact O-N 3.2Å
90F94.1Very high92.6Very high127 Ų12780.1 Ų80.156%0.55740%0.401SS*.EExtended strand (participates in β ladder)trans-113.2136.6-179.9-64.9-86.3000111T82 V83 L84 N88T82-F90 HydrophobicContact CG2-CB 3.74Å; T82-F90 HydrophobicContact CG2-CD1 4.02Å; T82-F90 HydrophobicContact CG2-CG 4.24Å; V83-F90 WeakPolarHBondContact O-CA 3.46Å; L84-F90 HydrophobicContact CB-CD1 4.02Å; L84-F90 HydrophobicContact CB-CE1 3.74Å; L84-F90 HydrophobicContact CB-CZ 4.5Å; L84-F90 HydrophobicContact CD1-CD1 4.44Å; L84-F90 HydrophobicContact CD1-CE1 4.04Å; L84-F90 HydrophobicContact CD1-CE2 4.39Å; L84-F90 HydrophobicContact CD1-CZ 4.01Å; L84-F90 HydrophobicContact CG-CE1 4.4Å; N88-F90 HydrophobicContact CB-CE2 4.49Å; N88-F90 WeakPolarHBondContact O-CD2 3.38Å; N88-F90 VanDerWaalsContact O-CE2 3.29Å; N88-F90 WeakPolarHBondContact O-CE2 3.37Å
91A93.3Very high92.7Very high28 Ų2877.1 Ų77.123%0.23139%0.388CS..EExtended strand (participates in β ladder)trans-121.6140.2173.600000110.4T82 V83 L85T82-A91 WeakPolarHBondContact CA-O 3.26Å; V83-A91 PolarHBondContact N-O 3.06Å; V83-A91 PolarHBondContact O-N 2.89Å; L85-A91 HydrophobicContact CD1-CB 3.84Å; L85-A91 HydrophobicContact CG-CB 4.22Å
92K94.8Very high92.8Very high152 Ų15276 Ų7666%0.66138%0.381SS*.EExtended strand (participates in β ladder)trans-72.1133.6164.6-72.9-168.5166.5-152.80109E80E80-K92 IonicContact OE2-NZ 3.83Å; E80-K92 PolarHBondContact OE2-NZ 3.26Å
93C93.2Very high92.9Very high19 Ų1976.2 Ų76.213%0.12838%0.375CS..EExtended strand (participates in β ladder)trans-140.8150.3-179.9-67.30000109.6V81 V83 Q97V81-C93 PolarHBondContact N-O 3.03Å; V81-C93 PolarHBondContact O-N 3.32Å; V81-C93 VanDerWaalsContact O-O 3.09Å; V83-C93 HydrophobicContact CG2-CB 4.05Å; C93-Q97 HydrophobicContact CB-CB 4.17Å
94S93.9Very high93.1Very high35 Ų3581.8 Ų81.825%0.24540%0.399CS..EExtended strand (participates in β ladder)trans-64.6148.6163.7165.70000110N79 K96 Q97 A98N79-S94 CarbonylContact O-C 3.4Å; N79-S94 VanDerWaalsContact O-CA 3.24Å; N79-S94 WeakPolarHBondContact O-CA 3.36Å; N79-S94 PolarHBondContact OD1-OG 3.11Å; S94-K96 PolarHBondContact O-N 3.09Å; S94-K96 VanDerWaalsContact O-N 3.13Å; S94-K96 PolarHBondContact OG-N 3.09Å; S94-Q97 CarbonylContact O-C 3.59Å; S94-Q97 WeakPolarHBondContact O-CA 3.44Å; S94-Q97 WeakPolarHBondContact O-CB 3.44Å; S94-Q97 PolarHBondContact O-N 3.04Å; S94-A98 PolarHBondContact O-N 2.99Å
95A92.1Very high93.1Very high0 Ų080.5 Ų80.50%039%0.39CS..Hα-helixtrans-49.9-37.5172.300000113.1P54 N79 V81 Q97 A98 Q99P54-A95 HydrophobicContact CG-CB 3.67Å; N79-A95 PolarHBondContact O-N 3.26Å; N79-A95 PolarHBondContact OD1-N 3.16Å; V81-A95 HydrophobicContact CG2-CB 4.26Å; A95-Q97 PolarHBondContact O-N 3.3Å; A95-A98 PolarHBondContact O-N 2.86Å; A95-Q99 PolarHBondContact O-N 3.43Å
96K92.8Very high93.3Very high110 Ų11078 Ų7848%0.47838%0.376SS..Hα-helixtrans-71.9-25.9176.1-58.7-61.5-177.9-168.10113.3S94S94-K96 PolarHBondContact O-N 3.09Å; S94-K96 VanDerWaalsContact O-N 3.13Å; S94-K96 PolarHBondContact OG-N 3.09Å
97Q94.2Very high93.7Very high105 Ų10584.3 Ų84.349%0.49139%0.394SS..Hα-helixtrans-77.4-44.8171.4-67.8169.8-28.200110.6C93 S94 A95 Q99 K100 I101C93-Q97 HydrophobicContact CB-CB 4.17Å; S94-Q97 CarbonylContact O-C 3.59Å; S94-Q97 WeakPolarHBondContact O-CA 3.44Å; S94-Q97 WeakPolarHBondContact O-CB 3.44Å; S94-Q97 PolarHBondContact O-N 3.04Å; A95-Q97 PolarHBondContact O-N 3.3Å; Q97-Q99 PolarHBondContact O-N 3.18Å; Q97-K100 WeakPolarHBondContact O-CB 3.16Å; Q97-K100 PolarHBondContact O-N 3.27Å; Q97-I101 PolarHBondContact O-N 3.01Å
98A94Very high93.9Very high3 Ų381.8 Ų81.83%0.02538%0.377CS..Hα-helixtrans-55.3-41.1173.900000111.4L50 V81 V83 S94 A95 K100 I101 V102L50-A98 HydrophobicContact CD1-CB 3.96Å; L50-A98 HydrophobicContact CD2-CB 4.17Å; V81-A98 HydrophobicContact CB-CB 4.44Å; V81-A98 HydrophobicContact CG1-CB 4.43Å; V83-A98 HydrophobicContact CG2-CB 3.79Å; S94-A98 PolarHBondContact O-N 2.99Å; A95-A98 PolarHBondContact O-N 2.86Å; A98-K100 VanDerWaalsContact C-N 3.31Å; A98-K100 PolarHBondContact O-N 2.82Å; A98-I101 WeakPolarHBondContact O-CB 3.39Å; A98-I101 PolarHBondContact O-N 3.34Å; A98-I101 VanDerWaalsContact O-N 3.1Å; A98-V102 PolarHBondContact O-N 3.09Å
99Q94.1Very high94.2Very high25 Ų2575.4 Ų75.412%0.11734%0.343CS..Hα-helixtrans-58-39.5174.7-157.9-168.921.300113.2D47 R51 A95 Q97 I101 V102 K103D47-Q99 WeakPolarHBondContact OD1-CG 3.47Å; D47-Q99 PolarHBondContact OD1-NE2 3.48Å; D47-Q99 VanDerWaalsContact OD1-NE2 3.12Å; D47-Q99 PolarHBondContact OD2-NE2 2.92Å; R51-Q99 VanDerWaalsContact CG-NE2 3.34Å; A95-Q99 PolarHBondContact O-N 3.43Å; Q97-Q99 PolarHBondContact O-N 3.18Å; Q99-I101 VanDerWaalsContact C-N 3.34Å; Q99-V102 PolarHBondContact O-N 3.47Å; Q99-K103 HydrophobicContact CG-CD 4.44Å; Q99-K103 WeakPolarHBondContact O-CG 3.43Å; Q99-K103 PolarHBondContact O-N 3.27Å
100K94.6Very high94.2Very high154 Ų15467.3 Ų67.367%0.6732%0.319SS*.Hα-helixtrans-66-38.3176.6-66.3174.6-178.8-179.20111.4Q97 A98 H104Q97-K100 WeakPolarHBondContact O-CB 3.16Å; Q97-K100 PolarHBondContact O-N 3.27Å; A98-K100 VanDerWaalsContact C-N 3.31Å; A98-K100 PolarHBondContact O-N 2.82Å; K100-H104 PolarHBondContact O-N 3.04Å; K100-H104 VanDerWaalsContact O-N 3.08Å
101I94.5Very high94.3Very high44 Ų4464.1 Ų64.123%0.22631%0.313CS..Hα-helixtrans-65.4-46.6176.2-60.1169.6000110.1V83 L85 Q97 A98 Q99 K103 H104 R105V83-I101 HydrophobicContact CG1-CD1 4.09Å; V83-I101 HydrophobicContact CG1-CG2 4.29Å; L85-I101 HydrophobicContact CD2-CD1 4.29Å; Q97-I101 PolarHBondContact O-N 3.01Å; A98-I101 WeakPolarHBondContact O-CB 3.39Å; A98-I101 PolarHBondContact O-N 3.34Å; A98-I101 VanDerWaalsContact O-N 3.1Å; Q99-I101 VanDerWaalsContact C-N 3.34Å; I101-K103 PolarHBondContact O-N 2.96Å; I101-H104 WeakPolarHBondContact O-CB 3.43Å; I101-H104 PolarHBondContact O-N 2.85Å; I101-R105 PolarHBondContact O-N 2.87Å
102V94.4Very high94.3Very high9 Ų966 Ų666%0.05532%0.316CS..Hα-helixtrans-57.6-49.8175.9167.60000111.2Y43 L46 D47 L50 A98 Q99 H104 R105 M106Y43-V102 HydrophobicContact CD1-CB 4.47Å; Y43-V102 HydrophobicContact CD1-CG1 3.81Å; Y43-V102 HydrophobicContact CD1-CG2 4.25Å; Y43-V102 HydrophobicContact CE1-CG2 4.3Å; L46-V102 HydrophobicContact CD2-CG2 3.72Å; L46-V102 HydrophobicContact CG-CG2 4.08Å; D47-V102 HydrophobicContact CB-CG1 4.05Å; L50-V102 HydrophobicContact CD1-CG2 3.82Å; A98-V102 PolarHBondContact O-N 3.09Å; Q99-V102 PolarHBondContact O-N 3.47Å; V102-H104 VanDerWaalsContact C-N 3.28Å; V102-H104 PolarHBondContact O-N 3.29Å; V102-R105 CarbonylContact O-C 3.59Å; V102-R105 PolarHBondContact O-N 3.44Å; V102-M106 HydrophobicContact CG1-CG 4.24Å; V102-M106 HydrophobicContact CG1-SD 4.01Å; V102-M106 WeakPolarHBondContact O-CG 3.43Å; V102-M106 PolarHBondContact O-N 3.24Å
103K94.7Very high94.4Very high94 Ų9460 Ų6041%0.40929%0.292SS..Hα-helixtrans-59.1-36.7177.1-73.1172.1-179172.60113.2D47 Q99 I101 K107D47-K103 VanDerWaalsContact OD1-CE 3.23Å; D47-K103 WeakPolarHBondContact OD1-CE 3.33Å; Q99-K103 HydrophobicContact CG-CD 4.44Å; Q99-K103 WeakPolarHBondContact O-CG 3.43Å; Q99-K103 PolarHBondContact O-N 3.27Å; I101-K103 PolarHBondContact O-N 2.96Å; K103-K107 PolarHBondContact O-N 3.32Å
104H95Very high94.5Very high136 Ų13663.8 Ų63.863%0.6331%0.311SS*.Hα-helixtrans-66.2-41.8173.6-174.9-90.1000112K100 I101 V102 K107 H108K100-H104 PolarHBondContact O-N 3.04Å; K100-H104 VanDerWaalsContact O-N 3.08Å; I101-H104 WeakPolarHBondContact O-CB 3.43Å; I101-H104 PolarHBondContact O-N 2.85Å; V102-H104 VanDerWaalsContact C-N 3.28Å; V102-H104 PolarHBondContact O-N 3.29Å; H104-K107 PolarHBondContact O-N 3.1Å; H104-H108 PolarHBondContact O-N 3.45Å; H104-H108 VanDerWaalsContact O-N 3.1Å
105R94.3Very high94.6Very high42 Ų4265.2 Ų65.216%0.15832%0.315CS..Hα-helixtrans-68.2-41.5176.3-69.9-167.4179.7176.26.1113.1Y43 L84 L85 I101 V102 K107 H108 V109 E444Y43-R105 HydrophobicContact CE1-CB 4.4Å; Y43-R105 HydrophobicContact CE2-CB 4.1Å; Y43-R105 WeakPolarHBondContact OH-CD 3.26Å; Y43-R105 PolarHBondContact OH-NH1 2.9Å; L84-R105 PolarHBondContact O-NH2 2.91Å; L85-R105 PolarHBondContact O-NH2 3.43Å; L85-R105 VanDerWaalsContact O-NH2 3.07Å; I101-R105 PolarHBondContact O-N 2.87Å; V102-R105 CarbonylContact O-C 3.59Å; V102-R105 PolarHBondContact O-N 3.44Å; R105-K107 PolarHBondContact O-N 3.34Å; R105-H108 CarbonylContact O-C 3.57Å; R105-H108 WeakPolarHBondContact O-CA 3.29Å; R105-H108 WeakPolarHBondContact O-CB 3.16Å; R105-H108 PolarHBondContact O-N 2.96Å; R105-V109 WeakPolarHBondContact O-CG2 3.28Å; R105-V109 PolarHBondContact O-N 2.68Å; R105-E444 IonicContact CZ-OE2 2.7Å; R105-E444 IonicContact NE-OE2 3.9Å; R105-E444 IonicContact NH1-OE2 2.75Å; R105-E444 PolarHBondContact NH1-OE2 3.02Å
106M94.3Very high94.8Very high46 Ų4666 Ų6623%0.22732%0.32CS..Hα-helixtrans-54.6-42.3172.3-70177.283.700111.7Y43 E44 V102 V109 G110Y43-M106 HydrophobicContact CG-CG 4.21Å; E44-M106 HydrophobicContact CB-CE 4.17Å; V102-M106 HydrophobicContact CG1-CG 4.24Å; V102-M106 HydrophobicContact CG1-SD 4.01Å; V102-M106 WeakPolarHBondContact O-CG 3.43Å; V102-M106 PolarHBondContact O-N 3.24Å; M106-V109 PolarHBondContact O-N 2.87Å; M106-G110 PolarHBondContact O-N 3.4Å
107K96.2Very high94.9Very high165 Ų16562.5 Ų62.572%0.71731%0.308SS*.Hα-helixtrans-64.3-39.6174.3-172.7-177.9178.3-175.90112.4K103 H104 R105 G110 S111K103-K107 PolarHBondContact O-N 3.32Å; H104-K107 PolarHBondContact O-N 3.1Å; R105-K107 PolarHBondContact O-N 3.34Å; K107-G110 PolarHBondContact O-N 2.9Å; K107-S111 PolarHBondContact O-N 3.38Å; K107-S111 VanDerWaalsContact O-N 3.07Å
108H94.6Very high95Very high97 Ų9763.3 Ų63.345%0.44931%0.31SS..Hα-helixtrans-63.9-49.9175.4-173.774.7000111.6H104 R105 G110 S111 Q112H104-H108 PolarHBondContact O-N 3.45Å; H104-H108 VanDerWaalsContact O-N 3.1Å; R105-H108 CarbonylContact O-C 3.57Å; R105-H108 WeakPolarHBondContact O-CA 3.29Å; R105-H108 WeakPolarHBondContact O-CB 3.16Å; R105-H108 PolarHBondContact O-N 2.96Å; H108-G110 VanDerWaalsContact C-N 3.3Å; H108-G110 PolarHBondContact O-N 2.97Å; H108-S111 WeakPolarHBondContact O-CB 3.36Å; H108-S111 PolarHBondContact O-N 3.25Å; H108-S111 VanDerWaalsContact O-N 3.09Å; H108-Q112 PolarHBondContact CE1-NE2 2.64Å; H108-Q112 VanDerWaalsContact CE1-NE2 3.29Å; H108-Q112 PolarHBondContact NE2-NE2 3.31Å; H108-Q112 WeakPolarHBondContact O-CG 3.48Å; H108-Q112 PolarHBondContact O-N 2.91Å
109V94.7Very high95Very high0 Ų067 Ų670%033%0.329CS..Hα-helixtrans-57.4-41.9175.8172.50000111.3W36 V39 L40 Y43 R105 M106 S111 Q112 L113W36-V109 HydrophobicContact CB-CG1 4.46Å; W36-V109 HydrophobicContact CE3-CB 4.4Å; W36-V109 HydrophobicContact CE3-CG1 3.83Å; W36-V109 HydrophobicContact CE3-CG2 4.05Å; W36-V109 HydrophobicContact CZ3-CG2 3.95Å; V39-V109 HydrophobicContact CG1-CG2 4.17Å; L40-V109 HydrophobicContact CB-CG1 4.11Å; Y43-V109 HydrophobicContact CD2-CG2 4.39Å; Y43-V109 HydrophobicContact CE2-CG2 4.32Å; R105-V109 WeakPolarHBondContact O-CG2 3.28Å; R105-V109 PolarHBondContact O-N 2.68Å; M106-V109 PolarHBondContact O-N 2.87Å; V109-S111 PolarHBondContact O-N 3.32Å; V109-Q112 PolarHBondContact O-N 2.93Å; V109-L113 WeakPolarHBondContact O-CB 3.28Å; V109-L113 PolarHBondContact O-N 2.99Å
110G95.1Very high95.1Very high22 Ų2267.2 Ų67.223%0.22733%0.33CS..Hα-helixtrans-58.9-45.2173.500000113M106 K107 H108 L113 D114M106-G110 PolarHBondContact O-N 3.4Å; K107-G110 PolarHBondContact O-N 2.9Å; H108-G110 VanDerWaalsContact C-N 3.3Å; H108-G110 PolarHBondContact O-N 2.97Å; G110-L113 PolarHBondContact O-N 2.97Å; G110-D114 PolarHBondContact O-N 3.05Å
111S95.9Very high95.1Very high61 Ų6166 Ų6643%0.42733%0.325SS..Hα-helixtrans-62.5-42.8175.1-165.10000112.3K107 H108 V109 L113 D114 D115K107-S111 PolarHBondContact O-N 3.38Å; K107-S111 VanDerWaalsContact O-N 3.07Å; H108-S111 WeakPolarHBondContact O-CB 3.36Å; H108-S111 PolarHBondContact O-N 3.25Å; H108-S111 VanDerWaalsContact O-N 3.09Å; V109-S111 PolarHBondContact O-N 3.32Å; S111-L113 VanDerWaalsContact C-N 3.35Å; S111-D114 PolarHBondContact O-N 3.29Å; S111-D115 PolarHBondContact O-N 3.49Å
112Q94.1Very high95.2Very high66 Ų6667.6 Ų67.631%0.30833%0.334SS..Hα-helixtrans-63.2-41.6176.8-64.4-67.3-2.700111.4W36 H108 V109 D115 V116W36-Q112 HydrophobicContact CZ2-CB 4.39Å; W36-Q112 HydrophobicContact CZ2-CG 4.47Å; H108-Q112 PolarHBondContact CE1-NE2 2.64Å; H108-Q112 VanDerWaalsContact CE1-NE2 3.29Å; H108-Q112 PolarHBondContact NE2-NE2 3.31Å; H108-Q112 WeakPolarHBondContact O-CG 3.48Å; H108-Q112 PolarHBondContact O-N 2.91Å; V109-Q112 PolarHBondContact O-N 2.93Å; Q112-D115 PolarHBondContact O-N 3.45Å; Q112-V116 WeakPolarHBondContact O-CG2 3.46Å; Q112-V116 PolarHBondContact O-N 3.45Å
113L95.6Very high95.1Very high28 Ų2869.1 Ų69.115%0.14734%0.34CS..Hα-helixtrans-62.6-43.8177-175.968.3000111.5I33 W36 K37 V109 G110 S111 T117I33-L113 HydrophobicContact CB-CD1 4.34Å; I33-L113 HydrophobicContact CG1-CD1 4.21Å; I33-L113 HydrophobicContact CG2-CD1 4.08Å; W36-L113 HydrophobicContact CB-CD1 4.01Å; K37-L113 HydrophobicContact CG-CD1 4.21Å; K37-L113 HydrophobicContact CG-CD2 4.4Å; V109-L113 WeakPolarHBondContact O-CB 3.28Å; V109-L113 PolarHBondContact O-N 2.99Å; G110-L113 PolarHBondContact O-N 2.97Å; S111-L113 VanDerWaalsContact C-N 3.35Å; L113-T117 VanDerWaalsContact O-CB 3.25Å; L113-T117 WeakPolarHBondContact O-CB 3.47Å; L113-T117 PolarHBondContact O-N 2.96Å; L113-T117 PolarHBondContact O-OG1 2.93Å
114D96.3Very high95.1Very high97 Ų9768.7 Ų68.752%0.51934%0.339SS..Hα-helixtrans-61.7-43.4174.9-79.6-19.2000111.8G110 S111 T117 K118G110-D114 PolarHBondContact O-N 3.05Å; S111-D114 PolarHBondContact O-N 3.29Å; D114-T117 PolarHBondContact O-N 2.85Å; D114-K118 VanDerWaalsContact O-CG 3.26Å; D114-K118 WeakPolarHBondContact O-CG 3.41Å; D114-K118 PolarHBondContact O-N 3.29Å
115D96.1Very high95Very high65 Ų6565.3 Ų65.335%0.34834%0.335SS..Hα-helixtrans-69.8-43.1-178.8-71.2-26.4000112.4S111 Q112 T117 K118 I119S111-D115 PolarHBondContact O-N 3.49Å; Q112-D115 PolarHBondContact O-N 3.45Å; D115-T117 VanDerWaalsContact C-N 3.28Å; D115-T117 PolarHBondContact O-N 3.44Å; D115-K118 PolarHBondContact O-N 3.35Å; D115-K118 IonicContact OD1-NZ 3.13Å; D115-K118 PolarHBondContact OD1-NZ 3.06Å; D115-I119 VanDerWaalsContact O-CG1 3.3Å; D115-I119 WeakPolarHBondContact O-CG1 3.21Å; D115-I119 PolarHBondContact O-N 2.94Å
116V95.3Very high94.9Very high17 Ų1768.6 Ų68.610%0.10335%0.347CS..Hα-helixtrans-63-36.5171.5-179.70000111C29 R32 I33 Q112 I119 M120C29-V116 HydrophobicContact CB-CG1 4.07Å; R32-V116 HydrophobicContact CB-CG1 4.14Å; I33-V116 HydrophobicContact CD1-CG1 4.07Å; I33-V116 HydrophobicContact CG1-CB 4.32Å; I33-V116 HydrophobicContact CG1-CG1 3.73Å; Q112-V116 WeakPolarHBondContact O-CG2 3.46Å; Q112-V116 PolarHBondContact O-N 3.45Å; V116-I119 PolarHBondContact O-N 3.15Å; V116-M120 WeakPolarHBondContact O-CB 3.39Å; V116-M120 PolarHBondContact O-N 2.78Å
117T95.4Very high94.9Very high37 Ų3766.7 Ų66.723%0.22734%0.338CS..Hα-helixtrans-66.8-37.6175.9-59.10000112.3L113 D114 D115 K121L113-T117 VanDerWaalsContact O-CB 3.25Å; L113-T117 WeakPolarHBondContact O-CB 3.47Å; L113-T117 PolarHBondContact O-N 2.96Å; L113-T117 PolarHBondContact O-OG1 2.93Å; D114-T117 PolarHBondContact O-N 2.85Å; D115-T117 VanDerWaalsContact C-N 3.28Å; D115-T117 PolarHBondContact O-N 3.44Å; T117-K121 HydrophobicContact CG2-CD 4.43Å; T117-K121 WeakPolarHBondContact O-CG 3.34Å; T117-K121 PolarHBondContact O-N 3.47Å; T117-K121 VanDerWaalsContact O-N 3.09Å
118K96.3Very high94.6Very high121 Ų12160.1 Ų60.153%0.52632%0.317SS..Hα-helixtrans-64.1-42.8172.3-68.6160.5-156.3156.50111.2D114 D115 N122D114-K118 VanDerWaalsContact O-CG 3.26Å; D114-K118 WeakPolarHBondContact O-CG 3.41Å; D114-K118 PolarHBondContact O-N 3.29Å; D115-K118 PolarHBondContact O-N 3.35Å; D115-K118 IonicContact OD1-NZ 3.13Å; D115-K118 PolarHBondContact OD1-NZ 3.06Å; K118-N122 PolarHBondContact O-N 3.38Å
119I94.3Very high94.5Very high81 Ų8162.2 Ų62.242%0.41533%0.325SS..Hα-helixtrans-61.4-49.8176.8-68.5165.4000110D115 V116 K121 N122 F123D115-I119 VanDerWaalsContact O-CG1 3.3Å; D115-I119 WeakPolarHBondContact O-CG1 3.21Å; D115-I119 PolarHBondContact O-N 2.94Å; V116-I119 PolarHBondContact O-N 3.15Å; I119-K121 PolarHBondContact O-N 3.04Å; I119-N122 WeakPolarHBondContact O-CB 3.38Å; I119-N122 PolarHBondContact O-N 3.24Å; I119-N122 VanDerWaalsContact O-N 3.09Å; I119-F123 HydrophobicContact CG2-CD2 3.73Å; I119-F123 HydrophobicContact CG2-CE2 3.83Å; I119-F123 WeakPolarHBondContact O-CD2 3.31Å; I119-F123 PolarHBondContact O-N 3.25Å
120M94.6Very high94.2Very high30 Ų3062.3 Ų62.315%0.14833%0.326CS..Hα-helixtrans-53.7-53.1177.5-169.4-177.578.500111.4V26 C29 E30 I33 V116 N122 F123 E124V26-M120 HydrophobicContact CG1-CG 4.31Å; C29-M120 HydrophobicContact CB-CB 3.97Å; C29-M120 HydrophobicContact CB-CG 4.13Å; E30-M120 HydrophobicContact CG-SD 4.01Å; I33-M120 HydrophobicContact CD1-CB 4.29Å; I33-M120 HydrophobicContact CD1-CE 4.14Å; I33-M120 HydrophobicContact CD1-CG 4.49Å; I33-M120 HydrophobicContact CD1-SD 3.44Å; I33-M120 WeakPolarHBondContact CD1-SD 3.39Å; V116-M120 WeakPolarHBondContact O-CB 3.39Å; V116-M120 PolarHBondContact O-N 2.78Å; M120-N122 VanDerWaalsContact C-N 3.27Å; M120-N122 PolarHBondContact O-N 3.08Å; M120-F123 CarbonylContact O-C 3.6Å; M120-F123 PolarHBondContact O-N 2.93Å; M120-E124 WeakPolarHBondContact CE-OE1 3.49Å; M120-E124 HydrophobicContact CG-CG 4.46Å; M120-E124 WeakPolarHBondContact O-CG 3.39Å; M120-E124 PolarHBondContact O-N 2.93Å
121K95.8Very high94Very high128 Ų12865.4 Ų65.456%0.55733%0.333SS*.Hα-helixtrans-58.6-35.5177.2-71.8175.2-179.9179.30113.3T117 I119 A125T117-K121 HydrophobicContact CG2-CD 4.43Å; T117-K121 WeakPolarHBondContact O-CG 3.34Å; T117-K121 PolarHBondContact O-N 3.47Å; T117-K121 VanDerWaalsContact O-N 3.09Å; I119-K121 PolarHBondContact O-N 3.04Å; K121-A125 WeakPolarHBondContact O-CB 3.41Å; K121-A125 PolarHBondContact O-N 3.5Å; K121-A125 VanDerWaalsContact O-N 3.14Å
122N95.4Very high93.6Very high78 Ų7867.3 Ų67.342%0.41734%0.338SS..Hα-helixtrans-68.8-40.1175.8-167.5-104.1000111.8K118 I119 M120 R126K118-N122 PolarHBondContact O-N 3.38Å; I119-N122 WeakPolarHBondContact O-CB 3.38Å; I119-N122 PolarHBondContact O-N 3.24Å; I119-N122 VanDerWaalsContact O-N 3.09Å; M120-N122 VanDerWaalsContact C-N 3.27Å; M120-N122 PolarHBondContact O-N 3.08Å; N122-R126 WeakPolarHBondContact O-CG 3.33Å; N122-R126 PolarHBondContact O-N 3.29Å; N122-R126 VanDerWaalsContact O-N 3.16Å; N122-R126 VanDerWaalsContact OD1-CZ 3.27Å; N122-R126 PolarHBondContact OD1-NE 3.14Å; N122-R126 PolarHBondContact OD1-NH2 3.08Å
123F93.4Very high93.2Very high40 Ų4067.5 Ų67.518%0.17534%0.341CS..Hα-helixtrans-73.6-36.6176.2-81-78.2000112.8H22 V25 V26 I119 M120 A125 R126 V127H22-F123 HydrophobicContact CB-CD1 4.41Å; H22-F123 AromaticContact CD2-CD1 3.77Å; H22-F123 AromaticContact CD2-CE1 3.76Å; V25-F123 HydrophobicContact CB-CD1 4.25Å; V25-F123 HydrophobicContact CB-CE1 4.42Å; V25-F123 HydrophobicContact CB-CG 4.38Å; V25-F123 HydrophobicContact CG1-CD1 4Å; V25-F123 HydrophobicContact CG1-CD2 3.62Å; V25-F123 HydrophobicContact CG1-CE1 4.07Å; V25-F123 HydrophobicContact CG1-CE2 3.7Å; V25-F123 HydrophobicContact CG1-CG 3.78Å; V25-F123 HydrophobicContact CG1-CZ 3.92Å; V26-F123 HydrophobicContact CG2-CB 3.75Å; I119-F123 HydrophobicContact CG2-CD2 3.73Å; I119-F123 HydrophobicContact CG2-CE2 3.83Å; I119-F123 WeakPolarHBondContact O-CD2 3.31Å; I119-F123 PolarHBondContact O-N 3.25Å; M120-F123 CarbonylContact O-C 3.6Å; M120-F123 PolarHBondContact O-N 2.93Å; F123-A125 VanDerWaalsContact C-N 3.32Å; F123-A125 PolarHBondContact O-N 3.37Å; F123-R126 CarbonylContact O-C 3.6Å; F123-R126 WeakPolarHBondContact O-CB 3.12Å; F123-R126 PolarHBondContact O-N 3.5Å; F123-R126 VanDerWaalsContact O-N 3.09Å; F123-V127 WeakPolarHBondContact O-CG2 3.26Å; F123-V127 PolarHBondContact O-N 3.37Å
124E94.1Very high92.7Very high85 Ų8569.1 Ų69.140%0.39735%0.348SS..Hα-helixtrans-55-46.6169.9-73.5170.9168.200111.5V26 M120 R126 V127 G128V26-E124 HydrophobicContact CG1-CG 4.34Å; V26-E124 HydrophobicContact CG2-CG 4.29Å; M120-E124 WeakPolarHBondContact CE-OE1 3.49Å; M120-E124 HydrophobicContact CG-CG 4.46Å; M120-E124 WeakPolarHBondContact O-CG 3.39Å; M120-E124 PolarHBondContact O-N 2.93Å; E124-R126 VanDerWaalsContact C-N 3.33Å; E124-R126 PolarHBondContact O-N 3.14Å; E124-V127 PolarHBondContact O-N 2.89Å; E124-G128 PolarHBondContact O-N 3.09Å
125A94.3Very high92.1Very high65 Ų6567.4 Ų67.454%0.53734%0.344SS..Hα-helixtrans-62.3-37.7175.300000112.6K121 F123 G128 F129K121-A125 WeakPolarHBondContact O-CB 3.41Å; K121-A125 PolarHBondContact O-N 3.5Å; K121-A125 VanDerWaalsContact O-N 3.14Å; F123-A125 VanDerWaalsContact C-N 3.32Å; F123-A125 PolarHBondContact O-N 3.37Å; A125-G128 PolarHBondContact O-N 3.07Å; A125-F129 WeakPolarHBondContact O-CB 3.13Å; A125-F129 PolarHBondContact O-N 3.07Å
126R92.1Very high91.4Very high112 Ų11270.4 Ų70.442%0.42336%0.357SS..Hα-helixtrans-69.3-34.4173.7-67.3173.1-163.7-145.25.3113N122 F123 E124 A130N122-R126 WeakPolarHBondContact O-CG 3.33Å; N122-R126 PolarHBondContact O-N 3.29Å; N122-R126 VanDerWaalsContact O-N 3.16Å; N122-R126 VanDerWaalsContact OD1-CZ 3.27Å; N122-R126 PolarHBondContact OD1-NE 3.14Å; N122-R126 PolarHBondContact OD1-NH2 3.08Å; F123-R126 CarbonylContact O-C 3.6Å; F123-R126 WeakPolarHBondContact O-CB 3.12Å; F123-R126 PolarHBondContact O-N 3.5Å; F123-R126 VanDerWaalsContact O-N 3.09Å; E124-R126 VanDerWaalsContact C-N 3.33Å; E124-R126 PolarHBondContact O-N 3.14Å; R126-A130 VanDerWaalsContact O-CB 3.31Å; R126-A130 WeakPolarHBondContact O-CB 3.3Å; R126-A130 PolarHBondContact O-N 2.76Å
127V93.1Very high90.4Very high6 Ų670.8 Ų70.84%0.03636%0.361CS..Hα-helixtrans-67-41.2173.11710000110.1H22 V26 F123 E124 A130 K131H22-V127 HydrophobicContact CB-CG2 3.52Å; V26-V127 HydrophobicContact CG2-CG2 4.4Å; F123-V127 WeakPolarHBondContact O-CG2 3.26Å; F123-V127 PolarHBondContact O-N 3.37Å; E124-V127 PolarHBondContact O-N 2.89Å; V127-A130 PolarHBondContact O-N 2.96Å; V127-K131 HydrophobicContact CG1-CD 4.21Å; V127-K131 VanDerWaalsContact O-CG 3.32Å; V127-K131 WeakPolarHBondContact O-CG 3.32Å; V127-K131 PolarHBondContact O-N 2.94Å
128G90.8Very high89.3Confident26 Ų2672 Ų7227%0.26837%0.374SS..Hα-helixtrans-57.5-56.6171.300000111.4E124 A125 A130 K131 D132E124-G128 PolarHBondContact O-N 3.09Å; A125-G128 PolarHBondContact O-N 3.07Å; G128-A130 VanDerWaalsContact C-N 3.28Å; G128-A130 PolarHBondContact O-N 2.83Å; G128-K131 WeakPolarHBondContact O-CB 3.49Å; G128-K131 PolarHBondContact O-N 2.79Å; G128-D132 PolarHBondContact O-N 2.97Å
129F91.4Very high88.1Confident142 Ų14272.2 Ų72.262%0.62338%0.381SS*.Hα-helixtrans-55.8-39.2177.4-179.9-97.3000113.5A125 D132 L133A125-F129 WeakPolarHBondContact O-CB 3.13Å; A125-F129 PolarHBondContact O-N 3.07Å; F129-D132 PolarHBondContact O-N 2.96Å; F129-L133 WeakPolarHBondContact O-CB 3.48Å; F129-L133 PolarHBondContact O-N 3.03Å
130A90Very high86.5Confident2 Ų274.4 Ų74.42%0.01740%0.399CS..Hα-helixtrans-66.9-37.7176.300000112.6V15 R19 R126 V127 G128 E134V15-A130 WeakPolarHBondContact CG1-O 3.45Å; R19-A130 HydrophobicContact CB-CB 4.03Å; R126-A130 VanDerWaalsContact O-CB 3.31Å; R126-A130 WeakPolarHBondContact O-CB 3.3Å; R126-A130 PolarHBondContact O-N 2.76Å; V127-A130 PolarHBondContact O-N 2.96Å; G128-A130 VanDerWaalsContact C-N 3.28Å; G128-A130 PolarHBondContact O-N 2.83Å; A130-E134 VanDerWaalsContact O-CB 3.31Å; A130-E134 WeakPolarHBondContact O-CB 3.27Å; A130-E134 PolarHBondContact O-N 3.21Å
131K89.4Confident84.8Confident87 Ų8776 Ų7638%0.37842%0.422SS..Hα-helixtrans-67.1-40.2172.8-70.9164.7-179171.80111.8R19 V127 G128 E134 S135R19-K131 HydrophobicContact CG-CG 4.42Å; V127-K131 HydrophobicContact CG1-CD 4.21Å; V127-K131 VanDerWaalsContact O-CG 3.32Å; V127-K131 WeakPolarHBondContact O-CG 3.32Å; V127-K131 PolarHBondContact O-N 2.94Å; G128-K131 WeakPolarHBondContact O-CB 3.49Å; G128-K131 PolarHBondContact O-N 2.79Å; K131-E134 WeakPolarHBondContact O-CB 3.36Å; K131-E134 PolarHBondContact O-N 2.96Å; K131-S135 PolarHBondContact O-N 3.28Å
132D88.4Confident83.2Confident100 Ų10078 Ų7854%0.53544%0.439SS..Hα-helixtrans-64.1-45.4177.4-64.1-17.8000109.9G128 F129 S135 M136G128-D132 PolarHBondContact O-N 2.97Å; F129-D132 PolarHBondContact O-N 2.96Å; D132-S135 PolarHBondContact O-N 3.4Å; D132-S135 PolarHBondContact O-OG 3.07Å; D132-M136 WeakPolarHBondContact O-CG 3.38Å; D132-M136 PolarHBondContact O-N 3.38Å
133L86.1Confident82Confident71 Ų7179.8 Ų79.837%0.37244%0.441SS..Hα-helixtrans-61.1-42.9174.2-177.363.9000112.5V15 F129 S135 M136 S137V15-L133 HydrophobicContact CG1-CB 4.49Å; V15-L133 HydrophobicContact CG1-CD2 4.31Å; V15-L133 HydrophobicContact CG1-CG 4.4Å; V15-L133 HydrophobicContact CG2-CD2 3.9Å; V15-L133 HydrophobicContact CG2-CG 4.27Å; F129-L133 WeakPolarHBondContact O-CB 3.48Å; F129-L133 PolarHBondContact O-N 3.03Å; L133-S135 PolarHBondContact O-N 2.94Å; L133-M136 PolarHBondContact O-N 3.09Å; L133-S137 WeakPolarHBondContact O-CB 2.91Å; L133-S137 PolarHBondContact O-N 2.88Å; L133-S137 PolarHBondContact O-OG 3.02Å
134E84.4Confident80.9Confident61 Ų6184.1 Ų84.129%0.28547%0.47SS..Hα-helixtrans-56.4-49173.1-172.3-179.9-178.200110.3V15 R19 A130 K131 M136 S137 A138V15-E134 HydrophobicContact CG1-CB 3.99Å; R19-E134 VanDerWaalsContact CD-OE2 3.3Å; R19-E134 WeakPolarHBondContact CD-OE2 3.32Å; R19-E134 IonicContact NE-OE2 3.83Å; A130-E134 VanDerWaalsContact O-CB 3.31Å; A130-E134 WeakPolarHBondContact O-CB 3.27Å; A130-E134 PolarHBondContact O-N 3.21Å; K131-E134 WeakPolarHBondContact O-CB 3.36Å; K131-E134 PolarHBondContact O-N 2.96Å; E134-M136 PolarHBondContact O-N 2.84Å; E134-S137 PolarHBondContact O-N 3.4Å; E134-S137 PolarHBondContact O-OG 3.32Å; E134-A138 WeakPolarHBondContact O-CB 3.3Å; E134-A138 PolarHBondContact O-N 3.5Å
135S84.4Confident79.8Confident62 Ų6284.6 Ų84.643%0.43448%0.475SS..Hα-helixtrans-64.6-38177.780.40000113.5K131 D132 L133 A138 N139K131-S135 PolarHBondContact O-N 3.28Å; D132-S135 PolarHBondContact O-N 3.4Å; D132-S135 PolarHBondContact O-OG 3.07Å; L133-S135 PolarHBondContact O-N 2.94Å; S135-A138 PolarHBondContact O-N 3.27Å; S135-N139 PolarHBondContact O-N 2.93Å
136M80.9Confident79.2Confident128 Ų12888.3 Ų88.363%0.63149%0.485SS*.Hα-helixtrans-67.4-35.9176.2-68-118-69.300112.1D132 L133 E134D132-M136 WeakPolarHBondContact O-CG 3.38Å; D132-M136 PolarHBondContact O-N 3.38Å; L133-M136 PolarHBondContact O-N 3.09Å; E134-M136 PolarHBondContact O-N 2.84Å
137S74.6Confident78.5Confident25 Ų2591.4 Ų91.418%0.17550%0.496CS..Hα-helixtrans-75-29.6175.868.90000113.2L12 L133 E134L12-S137 WeakPolarHBondContact CD1-OG 3.19Å; L133-S137 WeakPolarHBondContact O-CB 2.91Å; L133-S137 PolarHBondContact O-N 2.88Å; L133-S137 PolarHBondContact O-OG 3.02Å; E134-S137 PolarHBondContact O-N 3.4Å; E134-S137 PolarHBondContact O-OG 3.32Å
138A71.1Confident77.8Confident61 Ų6199.3 Ų99.350%0.50453%0.533SS..Hα-helixtrans-74-32.7172.500000112.5E134 S135 T140E134-A138 WeakPolarHBondContact O-CB 3.3Å; E134-A138 PolarHBondContact O-N 3.5Å; S135-A138 PolarHBondContact O-N 3.27Å; A138-T140 PolarHBondContact O-N 2.86Å
139N71.8Confident76.9Confident126 Ų126107.2 Ų107.267%0.67456%0.563SS**SBendtrans-81.481.3174.4-77.87.5000111S135 G141S135-N139 PolarHBondContact O-N 2.93Å; N139-G141 VanDerWaalsContact C-N 3.26Å; N139-G141 PolarHBondContact O-N 2.91Å
140T59.9Low75.7Confident128 Ų128106 Ų10679%0.78557%0.567SS**THydrogen-bonded Turntrans-65.357.3-172.758.80000115.9A138A138-T140 PolarHBondContact O-N 2.86Å
141G58.7Low74.1Confident62 Ų62107.6 Ų107.664%0.63958%0.584SS**THydrogen-bonded Turntrans-145.5-33.1-175.100000118.4N139N139-G141 VanDerWaalsContact C-N 3.26Å; N139-G141 PolarHBondContact O-N 2.91Å
142N62.8Low72.7Confident170 Ų170110.8 Ų110.891%0.90961%0.605SS**SBendtrans-122.918.8-160.7-72.9-22.2000116
143Y70.5Confident71.2Confident116 Ų116113.5 Ų113.546%0.45562%0.62SS.*  trans-119.8135.5172.769.9-90.4000111.7
144V70.4Confident69.8Low131 Ų131116.1 Ų116.179%0.79463%0.634SS**  trans-106.8117.5172.71790000107.3I146V144-I146 HydrophobicContact CG1-CG1 4.42Å; V144-I146 PolarHBondContact O-N 3.02Å; V144-I146 VanDerWaalsContact O-N 3.14Å
145D71Confident68Low95 Ų95117.2 Ų117.251%0.50865%0.648SS.*  trans-7497.6173.4-176.48.4000109R147D145-R147 PolarHBondContact O-N 2.74Å; D145-R147 IonicContact OD1-NE 3.83Å; D145-R147 IonicContact OD2-CZ 3.21Å; D145-R147 IonicContact OD2-NE 2.73Å; D145-R147 PolarHBondContact OD2-NE 3.31Å; D145-R147 IonicContact OD2-NH2 2.8Å; D145-R147 PolarHBondContact OD2-NH2 3Å
146I81.4Confident66.5Low143 Ų143118.6 Ų118.673%0.73366%0.656SS**  trans-77.190.6179.4-55.5177.2000108.4V144V144-I146 HydrophobicContact CG1-CG1 4.42Å; V144-I146 PolarHBondContact O-N 3.02Å; V144-I146 VanDerWaalsContact O-N 3.14Å
147R77.3Confident65Low177 Ų177117.2 Ų117.267%0.66866%0.664SS**  trans-91.2107.7171-62.8-172.1-175.1-140-9110.1D145 E149D145-R147 PolarHBondContact O-N 2.74Å; D145-R147 IonicContact OD1-NE 3.83Å; D145-R147 IonicContact OD2-CZ 3.21Å; D145-R147 IonicContact OD2-NE 2.73Å; D145-R147 PolarHBondContact OD2-NE 3.31Å; D145-R147 IonicContact OD2-NH2 2.8Å; D145-R147 PolarHBondContact OD2-NH2 3Å; R147-E149 PolarHBondContact O-N 3.32Å
148E79.1Confident63.9Low172 Ų172121 Ų12180%0.80469%0.687SS**  trans-72.9109.2163.9-66.3-179.7171.500108.5V150E148-V150 PolarHBondContact O-N 2.88Å
149E72Confident63.2Low192 Ų192127.8 Ų127.890%0.89771%0.705SS**  trans-70.5100169-71.6-169.6175.900108.9R147 G151R147-E149 PolarHBondContact O-N 3.32Å; E149-G151 VanDerWaalsContact C-N 3.33Å; E149-G151 PolarHBondContact O-N 3.15Å
150V64.8Low62.2Low117 Ų117125 Ų12571%0.70971%0.706SS**  trans-64.798.3167.51790000107.7E148 N152E148-V150 PolarHBondContact O-N 2.88Å; V150-N152 PolarHBondContact O-N 3.28Å
151G57.5Low62.3Low36 Ų36128.2 Ų128.237%0.37171%0.709SS.*  trans-57.1138.8177.500000110.4E149 N153 D154E149-G151 VanDerWaalsContact C-N 3.33Å; E149-G151 PolarHBondContact O-N 3.15Å; G151-N153 PolarHBondContact O-N 3.06Å; G151-D154 PolarHBondContact O-N 2.81Å
152N60.7Low62.3Low154 Ų154133.6 Ų133.682%0.82472%0.718SS**THydrogen-bonded Turntrans-65.54-173-152.945.4000114.7V150V150-N152 PolarHBondContact O-N 3.28Å
153N56.8Low62.4Low157 Ų157137.1 Ų137.184%0.8472%0.718SS**THydrogen-bonded Turntrans-99.1-21.3173.4-63.8-31.2000112.4G151 S155G151-N153 PolarHBondContact O-N 3.06Å; N153-S155 PolarHBondContact O-N 3.03Å
154D55.2Low62.3Low125 Ų125138.8 Ų138.867%0.66873%0.733SS**  trans-93.543.1174.1-68.2-46.8000111.2G151 P156G151-D154 PolarHBondContact O-N 2.81Å; D154-P156 WeakPolarHBondContact O-CD 3.23Å
155S48.2Very low62Low84 Ų84136.6 Ų136.659%0.58773%0.729SS**  trans-93.380.5158.469.30000109.1N153 A157N153-S155 PolarHBondContact O-N 3.03Å; S155-A157 PolarHBondContact O-N 3.48Å
156P51.9Low61.5Low92 Ų92140.1 Ų140.160%0.59774%0.742SS**  trans-64.8111.1160.932.2-32.7000104.8D154 T158D154-P156 WeakPolarHBondContact O-CD 3.23Å; P156-T158 HydrophobicContact CB-CG2 4.1Å; P156-T158 HydrophobicContact CG-CG2 4.32Å; P156-T158 PolarHBondContact O-N 2.84Å; P156-T158 PolarHBondContact O-OG1 3.2Å
157A49.7Very low61Low98 Ų98141.5 Ų141.581%0.8174%0.743SS**  trans-65.668.5170.100000108.8S155 K159S155-A157 PolarHBondContact O-N 3.48Å; A157-K159 PolarHBondContact O-N 2.96Å
158T52.1Low59.8Low106 Ų106138.4 Ų138.465%0.6575%0.745SS**  trans-70.484.5176.242.40000106.4P156 G160P156-T158 HydrophobicContact CB-CG2 4.1Å; P156-T158 HydrophobicContact CG-CG2 4.32Å; P156-T158 PolarHBondContact O-N 2.84Å; P156-T158 PolarHBondContact O-OG1 3.2Å; T158-G160 VanDerWaalsContact C-N 3.29Å; T158-G160 WeakPolarHBondContact O-CA 3.46Å; T158-G160 PolarHBondContact O-N 2.97Å
159K55.4Low58.7Low202 Ų202138 Ų13888%0.87875%0.749SS**  trans-42.6105.8150.6-68.9-178.9177.5179.10105.5A157 K161A157-K159 PolarHBondContact O-N 2.96Å; K159-K161 PolarHBondContact O-N 3.1Å
160G50.6Low58.4Low67 Ų67132.3 Ų132.369%0.69173%0.73SS**  trans-54.4117.1-157.600000110T158 Q162T158-G160 VanDerWaalsContact C-N 3.29Å; T158-G160 WeakPolarHBondContact O-CA 3.46Å; T158-G160 PolarHBondContact O-N 2.97Å; G160-Q162 PolarHBondContact O-N 3.28Å
161K62.1Low58.3Low196 Ų196135.8 Ų135.885%0.85274%0.736SS**  trans-55116172.4-75.7178.5178.2174.30106.1K159 R163K159-K161 PolarHBondContact O-N 3.1Å; K161-R163 PolarHBondContact O-N 3.38Å; K161-R163 VanDerWaalsContact O-N 3.16Å
162Q59.3Low58.3Low176 Ų176140 Ų14082%0.82276%0.756SS**  trans-48.2125-176.6-178.7178.3-2.300108.5G160 I164G160-Q162 PolarHBondContact O-N 3.28Å; Q162-I164 PolarHBondContact O-N 3.22Å
163R64.1Low57.9Low243 Ų243141.4 Ų141.492%0.91776%0.755SS**  trans-63.598.5-177-67.8177.974.2174.84108.7K161 A165K161-R163 PolarHBondContact O-N 3.38Å; K161-R163 VanDerWaalsContact O-N 3.16Å; R163-A165 PolarHBondContact O-N 3.44Å
164I68.6Low57.2Low152 Ų152142.3 Ų142.378%0.77976%0.756SS**PPolyproline II helixtrans-69.7116.7171.1-62.3171.4000106Q162 H166Q162-I164 PolarHBondContact O-N 3.22Å; I164-H166 PolarHBondContact O-N 2.94Å
165A64.7Low56.5Low85 Ų85142.7 Ų142.770%0.70276%0.759SS**PPolyproline II helixtrans-60.2126.6174.600000109.1R163 K167R163-A165 PolarHBondContact O-N 3.44Å; A165-K167 PolarHBondContact O-N 2.87Å; A165-K167 VanDerWaalsContact O-N 3.15Å
166H61Low56.1Low169 Ų169143.8 Ų143.878%0.78276%0.761SS**PPolyproline II helixtrans-58.9121.9171.1-74.1-92.2000108.3I164I164-H166 PolarHBondContact O-N 2.94Å
167K70.4Confident55.6Low172 Ų172145.9 Ų145.975%0.74877%0.772SS**PPolyproline II helixtrans-60.5131168.6-65.6-178.5179.7179.70106.9A165 N169 S170A165-K167 PolarHBondContact O-N 2.87Å; A165-K167 VanDerWaalsContact O-N 3.15Å; K167-N169 PolarHBondContact O-N 2.71Å; K167-S170 PolarHBondContact O-N 3.42Å; K167-S170 PolarHBondContact O-OG 3.31Å
168P52.8Low54.9Low111 Ų111149.3 Ų149.372%0.72177%0.769SS**THydrogen-bonded Turntrans-54.2142.6171.923.8-32.3000108.9
169N55.1Low54.2Low164 Ų164147.8 Ų147.888%0.87778%0.775SS**THydrogen-bonded Turntrans850.5176.4-38-22.4000117.5K167 K171K167-N169 PolarHBondContact O-N 2.71Å; N169-K171 PolarHBondContact O-N 3.11Å
170S66.6Low53.4Low73 Ų73145.4 Ų145.451%0.5177%0.771SS.*  trans-77.6107.9168.966.60000111K167K167-S170 PolarHBondContact O-N 3.42Å; K167-S170 PolarHBondContact O-OG 3.31Å
171K62.4Low52.6Low190 Ų190150.1 Ų150.183%0.82677%0.772SS**PPolyproline II helixtrans-57.3133.3169.4-65.4-175.2179.4-176.20109.4N169 K173N169-K171 PolarHBondContact O-N 3.11Å; K171-K173 PolarHBondContact O-N 2.94Å
172P57Low51.3Low123 Ų123150 Ų15080%0.79978%0.775SS**PPolyproline II helixtrans-65.1133.417627.2-33.1000109.8
173K52.4Low50Low184 Ų184148.9 Ų148.980%0.877%0.77SS**PPolyproline II helixtrans-78126.9166-69.7-171.4175.4-168.90108.3K171 D175K171-K173 PolarHBondContact O-N 2.94Å; K173-D175 PolarHBondContact O-N 3.47Å
174M41.1Very low48.5Very low176 Ų176144.4 Ų144.487%0.86776%0.764SS**  trans-97.873174.149.3-175.5161.300109.9V176M174-V176 PolarHBondContact O-N 2.94Å
175D41Very low47Very low133 Ų133145.9 Ų145.971%0.71177%0.767SS**  trans-86.370.5168.2-64-35.3000108.5K173K173-D175 PolarHBondContact O-N 3.47Å
176V40.3Very low45.3Very low107 Ų107145.6 Ų145.665%0.64877%0.772SS**  trans-98.985.7168.7-1760000107.8M174 F178M174-V176 PolarHBondContact O-N 2.94Å; V176-F178 HydrophobicContact CG1-CD2 3.76Å; V176-F178 HydrophobicContact CG1-CE2 3.76Å; V176-F178 PolarHBondContact O-N 3.45Å
177V40.2Very low44.3Very low136 Ų136147.1 Ų147.182%0.82478%0.78SS**  trans-69.898.6169.8177.20000107.8G179V177-G179 PolarHBondContact O-N 3.46Å; V177-G179 VanDerWaalsContact O-N 3.11Å
178F35.6Very low42.4Very low170 Ų170144.5 Ų144.575%0.74678%0.783SS**  trans-70.1101167.3-98-89.8000108.8V176 L180V176-F178 HydrophobicContact CG1-CD2 3.76Å; V176-F178 HydrophobicContact CG1-CE2 3.76Å; V176-F178 PolarHBondContact O-N 3.45Å; F178-L180 PolarHBondContact O-N 3.19Å
179G38.2Very low41.4Very low74 Ų74142.9 Ų142.976%0.76379%0.787SS**  trans-72.574.9168.700000110.9V177 K181V177-G179 PolarHBondContact O-N 3.46Å; V177-G179 VanDerWaalsContact O-N 3.11Å; G179-K181 PolarHBondContact O-N 2.88Å
180L37.2Very low40.6Very low152 Ų152142.6 Ų142.680%0.79679%0.785SS**  trans-74.8110.1164.9-81.3167.2000108.1F178 E182F178-L180 PolarHBondContact O-N 3.19Å; L180-E182 PolarHBondContact O-N 3.38Å
181K34.3Very low39Very low166 Ų166145.1 Ų145.172%0.72280%0.798SS**  trans-77.4114.4173.5-172.1-174.1173.9-134.90107.4G179 E183G179-K181 PolarHBondContact O-N 2.88Å; K181-E183 IonicContact NZ-OE1 3.74Å; K181-E183 PolarHBondContact NZ-OE1 3.38Å; K181-E183 PolarHBondContact O-N 3.27Å
182E35.8Very low37.7Very low194 Ų194139 Ų13991%0.90779%0.788SS**  trans-66125.2175.9-65.817615600109.4L180L180-E182 PolarHBondContact O-N 3.38Å
183E31.5Very low37.3Very low153 Ų153139.4 Ų139.472%0.71579%0.794SS**  trans-125.5149.5167.2-66.5-172.2-177.600107.7K181K181-E183 IonicContact NZ-OE1 3.74Å; K181-E183 PolarHBondContact NZ-OE1 3.38Å; K181-E183 PolarHBondContact O-N 3.27Å
184D33Very low36.9Very low148 Ų148142 Ų14279%0.79180%0.799SS**  trans-97.3161.1-143.5-161.512.4000115.5
185E36.1Very low37.4Very low184 Ų184143.2 Ų143.286%0.8680%0.799SS**  trans61.1140.6167.9-57.8-145.2150.700121.8
186G29.8Very low37.8Very low78 Ų78139.4 Ų139.480%0.80479%0.792SS**  trans17062176.200000114.5S188G186-S188 PolarHBondContact O-N 3.23Å
187E39Very low38.5Very low202 Ų202141.4 Ų141.494%0.94480%0.804SS**  trans-72.1115.6179.3-174.4-175.8-137.800112.5
188S31.3Very low39.5Very low116 Ų116139.8 Ų139.881%0.81179%0.788SS**  trans-166.3136.3155.972.10000114.9G186G186-S188 PolarHBondContact O-N 3.23Å
189G32.1Very low41.4Very low78 Ų78135.4 Ų135.480%0.80478%0.776SS**  trans87.798.5135.600000118.9
190D37Very low43Very low157 Ų157137.9 Ų137.984%0.8477%0.768SS**  trans-43.1132.3160.6174.836.3000114.9
191T33.2Very low45.2Very low126 Ų126137.1 Ų137.177%0.77376%0.76SS**  164.5127125.9-65.30000110.8
192G35.1Very low47.5Very low61 Ų61133.6 Ų133.663%0.62975%0.746SS**  trans103.487.2151.100000117.7R194G192-R194 PolarHBondContact O-N 3.12Å
193S50.1Low49.8Very low132 Ų132129.1 Ų129.192%0.92373%0.728SS**  trans19.869.7148.5-158.90000117.5
194R42.5Very low52.4Low239 Ų239127.7 Ų127.790%0.90272%0.716SS**  trans-94.2116.2152.9-89180161.1148.4-5.2107.6G192 G196G192-R194 PolarHBondContact O-N 3.12Å; R194-G196 PolarHBondContact O-N 3.37Å
195K52.6Low55.1Low201 Ų201123.4 Ų123.487%0.87470%0.701SS**  trans-56.5105.3169.6-169.3173.6-174.9178.50107
196G49.2Very low57.6Low53 Ų53120.6 Ų120.655%0.54668%0.683SS.*  trans-54.9144-173.300000110.8R194 M198R194-G196 PolarHBondContact O-N 3.37Å; G196-M198 PolarHBondContact O-N 2.89Å
197V54.2Low60.2Low150 Ų150120.9 Ų120.991%0.90967%0.666SS**  trans-63.1105.2165.7-178.50000105.5
198M61.5Low62.6Low101 Ų101115.3 Ų115.350%0.49864%0.642SS.*  trans-60.3140.9179.4-46.9-130.986.600107.5G196 E202G196-M198 PolarHBondContact O-N 2.89Å; M198-E202 HydrophobicContact CB-CB 4.3Å; M198-E202 HydrophobicContact CB-CG 4.32Å; M198-E202 HydrophobicContact CE-CG 4.28Å; M198-E202 WeakPolarHBondContact CE-OE1 3.42Å; M198-E202 VanDerWaalsContact CE-OE2 3.31Å; M198-E202 WeakPolarHBondContact CE-OE2 3.34Å; M198-E202 HydrophobicContact SD-CG 4.32Å
199T76.1Confident65.4Low79 Ų79114.1 Ų114.149%0.48562%0.624SS.*  trans-63.8157.9179.378.70000109.5E201 E202 L203T199-E201 VanDerWaalsContact CB-OE2 3.28Å; T199-E201 WeakPolarHBondContact CB-OE2 3.38Å; T199-E201 PolarHBondContact O-N 3.49Å; T199-E201 PolarHBondContact OG1-OE2 2.8Å; T199-E202 PolarHBondContact O-N 3.49Å; T199-L203 PolarHBondContact O-N 2.82Å
200E71.6Confident68Low126 Ų126114.3 Ų114.359%0.58961%0.606SS**Hα-helixtrans-57.2-39.1-177175.7163-169.300111E202 L203 W204E200-E202 PolarHBondContact O-N 2.64Å; E200-L203 PolarHBondContact O-N 2.86Å; E200-W204 VanDerWaalsContact CG-CD1 3.43Å; E200-W204 VanDerWaalsContact CG-NE1 3.26Å; E200-W204 PolarHBondContact O-N 3.34Å; E200-W204 PolarHBondContact OE1-NE1 3.19Å
201E82.9Confident70.5Confident135 Ų135112 Ų11263%0.63159%0.59SS**Hα-helixtrans-62.1-39.9176.1-55.874-160.700112.8T199 W204 A205T199-E201 VanDerWaalsContact CB-OE2 3.28Å; T199-E201 WeakPolarHBondContact CB-OE2 3.38Å; T199-E201 PolarHBondContact O-N 3.49Å; T199-E201 PolarHBondContact OG1-OE2 2.8Å; E201-W204 PolarHBondContact O-N 2.89Å; E201-A205 WeakPolarHBondContact O-CB 3.39Å; E201-A205 PolarHBondContact O-N 3.16Å
202E83.7Confident73.2Confident93 Ų93113.3 Ų113.344%0.43558%0.581SS.*Hα-helixtrans-71.3-36.6178.4-170.8175.1-159.400111.3M198 T199 E200 A205 R206M198-E202 HydrophobicContact CB-CB 4.3Å; M198-E202 HydrophobicContact CB-CG 4.32Å; M198-E202 HydrophobicContact CE-CG 4.28Å; M198-E202 WeakPolarHBondContact CE-OE1 3.42Å; M198-E202 VanDerWaalsContact CE-OE2 3.31Å; M198-E202 WeakPolarHBondContact CE-OE2 3.34Å; M198-E202 HydrophobicContact SD-CG 4.32Å; T199-E202 PolarHBondContact O-N 3.49Å; E200-E202 PolarHBondContact O-N 2.64Å; E202-A205 PolarHBondContact O-N 3.17Å; E202-R206 WeakPolarHBondContact O-CB 3.32Å; E202-R206 PolarHBondContact O-N 2.82Å
203L84.3Confident75.6Confident99 Ų99114.3 Ų114.352%0.51857%0.571SS.*Hα-helixtrans-63.7-44.6172-176.865.8000111.7T199 E200 R206 L207T199-L203 PolarHBondContact O-N 2.82Å; E200-L203 PolarHBondContact O-N 2.86Å; L203-R206 PolarHBondContact O-N 3.31Å; L203-L207 WeakPolarHBondContact O-CG 3.47Å; L203-L207 PolarHBondContact O-N 3.28Å; L203-L207 VanDerWaalsContact O-N 3.11Å
204W84.9Confident77.2Confident123 Ų123114.9 Ų114.947%0.46656%0.56SS.*Hα-helixtrans-64.6-44175.1-73.6115.7000112E200 E201 R206 L207 D208E200-W204 VanDerWaalsContact CG-CD1 3.43Å; E200-W204 VanDerWaalsContact CG-NE1 3.26Å; E200-W204 PolarHBondContact O-N 3.34Å; E200-W204 PolarHBondContact OE1-NE1 3.19Å; E201-W204 PolarHBondContact O-N 2.89Å; W204-R206 VanDerWaalsContact C-N 3.3Å; W204-R206 PolarHBondContact O-N 3.31Å; W204-L207 HydrophobicContact CE3-CD1 4.29Å; W204-L207 PolarHBondContact O-N 2.7Å; W204-L207 VanDerWaalsContact O-N 3.14Å; W204-D208 PolarHBondContact O-N 3.44Å
205A90.1Very high79.4Confident59 Ų59109.7 Ų109.749%0.48855%0.545SS..Hα-helixtrans-60.6-39.5176.500000112E201 E202 L207 D208 E209E201-A205 WeakPolarHBondContact O-CB 3.39Å; E201-A205 PolarHBondContact O-N 3.16Å; E202-A205 PolarHBondContact O-N 3.17Å; A205-L207 VanDerWaalsContact C-N 3.31Å; A205-L207 PolarHBondContact O-N 2.98Å; A205-D208 PolarHBondContact O-N 2.98Å; A205-E209 WeakPolarHBondContact O-CB 3.31Å; A205-E209 PolarHBondContact O-N 3.38Å
206R88.3Confident80.9Confident124 Ų124103.3 Ų103.347%0.46852%0.52SS..Hα-helixtrans-68.8-28.6176.7-172.259.9-175.1173.79.6113.1E202 L203 W204 E209 L210E202-R206 WeakPolarHBondContact O-CB 3.32Å; E202-R206 PolarHBondContact O-N 2.82Å; L203-R206 PolarHBondContact O-N 3.31Å; W204-R206 VanDerWaalsContact C-N 3.3Å; W204-R206 PolarHBondContact O-N 3.31Å; R206-E209 WeakPolarHBondContact CD-OE2 3.5Å; R206-E209 IonicContact CZ-OE1 3.15Å; R206-E209 IonicContact CZ-OE2 3.85Å; R206-E209 IonicContact NE-OE2 3.38Å; R206-E209 IonicContact NH1-OE1 2.64Å; R206-E209 PolarHBondContact NH1-OE1 2.75Å; R206-E209 IonicContact NH1-OE2 2.8Å; R206-E209 PolarHBondContact NH1-OE2 2.97Å; R206-L210 WeakPolarHBondContact O-CG 3.47Å; R206-L210 PolarHBondContact O-N 3.32Å
207L85.3Confident82.3Confident85 Ų85106.5 Ų106.545%0.44552%0.521SS..Hα-helixtrans-74.8-43.6173.1-72.4169.9000112L203 W204 A205 E209 L210 E211L203-L207 WeakPolarHBondContact O-CG 3.47Å; L203-L207 PolarHBondContact O-N 3.28Å; L203-L207 VanDerWaalsContact O-N 3.11Å; W204-L207 HydrophobicContact CE3-CD1 4.29Å; W204-L207 PolarHBondContact O-N 2.7Å; W204-L207 VanDerWaalsContact O-N 3.14Å; A205-L207 VanDerWaalsContact C-N 3.31Å; A205-L207 PolarHBondContact O-N 2.98Å; L207-E209 VanDerWaalsContact C-N 3.27Å; L207-E209 PolarHBondContact O-N 3.49Å; L207-L210 PolarHBondContact O-N 3.48Å; L207-L210 VanDerWaalsContact O-N 3.14Å; L207-E211 PolarHBondContact O-N 2.91Å
208D88.9Confident83.4Confident85 Ų85103.1 Ų103.146%0.45550%0.498SS..Hα-helixtrans-61.9-36.1174.2-75.7-2.6000111W204 A205 R212W204-D208 PolarHBondContact O-N 3.44Å; A205-D208 PolarHBondContact O-N 2.98Å; D208-R212 PolarHBondContact O-N 3.12Å
209E90.6Very high84.4Confident91 Ų91103.2 Ų103.243%0.42550%0.497SS..Hα-helixtrans-63.7-41.1172.6-169.1-166.2157.100112.2A205 R206 L207 R212 L213A205-E209 WeakPolarHBondContact O-CB 3.31Å; A205-E209 PolarHBondContact O-N 3.38Å; R206-E209 WeakPolarHBondContact CD-OE2 3.5Å; R206-E209 IonicContact CZ-OE1 3.15Å; R206-E209 IonicContact CZ-OE2 3.85Å; R206-E209 IonicContact NE-OE2 3.38Å; R206-E209 IonicContact NH1-OE1 2.64Å; R206-E209 PolarHBondContact NH1-OE1 2.75Å; R206-E209 IonicContact NH1-OE2 2.8Å; R206-E209 PolarHBondContact NH1-OE2 2.97Å; L207-E209 VanDerWaalsContact C-N 3.27Å; L207-E209 PolarHBondContact O-N 3.49Å; E209-R212 PolarHBondContact O-N 2.82Å; E209-L213 HydrophobicContact CG-CD1 4.46Å; E209-L213 WeakPolarHBondContact O-CG 3.35Å; E209-L213 PolarHBondContact O-N 2.86Å; E209-L213 VanDerWaalsContact O-N 3.1Å
210L86.9Confident84.3Confident82 Ų82106.2 Ų106.243%0.42951%0.506SS..Hα-helixtrans-69.4-39.8177.4-77.4167.1000112.6R206 L207 R212 L213 E214R206-L210 WeakPolarHBondContact O-CG 3.47Å; R206-L210 PolarHBondContact O-N 3.32Å; L207-L210 PolarHBondContact O-N 3.48Å; L207-L210 VanDerWaalsContact O-N 3.14Å; L210-R212 VanDerWaalsContact C-N 3.27Å; L210-R212 PolarHBondContact O-N 3.31Å; L210-L213 HydrophobicContact CD2-CD1 4.5Å; L210-L213 PolarHBondContact O-N 2.86Å; L210-L213 VanDerWaalsContact O-N 3.16Å; L210-E214 PolarHBondContact O-N 3.33Å
211E87.7Confident84.5Confident107 Ų107104.4 Ų104.450%0.550%0.5SS..Hα-helixtrans-57.3-42.7173.7-173.1177.2-142.100110.2L207 E214 E215 K491L207-E211 PolarHBondContact O-N 2.91Å; E211-E214 PolarHBondContact O-N 3.01Å; E211-E215 PolarHBondContact O-N 3.08Å; E211-K491 IonicContact OE2-NZ 2.71Å
212R91.1Very high84.3Confident154 Ų154105.5 Ų105.558%0.58150%0.498SS*.Hα-helixtrans-67.9-33.9177.3-163.8-169.8117.578.5-0.4113.5D208 E209 L210 L216D208-R212 PolarHBondContact O-N 3.12Å; E209-R212 PolarHBondContact O-N 2.82Å; L210-R212 VanDerWaalsContact C-N 3.27Å; L210-R212 PolarHBondContact O-N 3.31Å; R212-L216 WeakPolarHBondContact O-CG 3.26Å; R212-L216 PolarHBondContact O-N 3.1Å; R212-L216 VanDerWaalsContact O-N 3.16Å
213L86.3Confident83.5Confident83 Ų83107.3 Ų107.344%0.43551%0.51SS..Hα-helixtrans-72.3-38176.7-73.3169.1000111.6E209 L210 Q217E209-L213 HydrophobicContact CG-CD1 4.46Å; E209-L213 WeakPolarHBondContact O-CG 3.35Å; E209-L213 PolarHBondContact O-N 2.86Å; E209-L213 VanDerWaalsContact O-N 3.1Å; L210-L213 HydrophobicContact CD2-CD1 4.5Å; L210-L213 PolarHBondContact O-N 2.86Å; L210-L213 VanDerWaalsContact O-N 3.16Å; L213-Q217 WeakPolarHBondContact O-CB 3.41Å; L213-Q217 PolarHBondContact O-N 3.2Å
214E83.1Confident82.2Confident144 Ų144106 Ų10667%0.67351%0.509SS*.Hα-helixtrans-64.7-42.1173.4-171.4174.8-174.500111.3L210 E211 Q217 D218L210-E214 PolarHBondContact O-N 3.33Å; E211-E214 PolarHBondContact O-N 3.01Å; E214-Q217 PolarHBondContact O-N 3.21Å; E214-D218 PolarHBondContact O-N 2.96Å
215E87.5Confident80.8Confident129 Ų129106.6 Ų106.660%0.60352%0.522SS*.Hα-helixtrans-62.4-43.9176.2-170.1169-13300112.2E211 Q217 D218 E219E211-E215 PolarHBondContact O-N 3.08Å; E215-Q217 VanDerWaalsContact C-N 3.3Å; E215-Q217 PolarHBondContact O-N 3.39Å; E215-D218 PolarHBondContact O-N 3.21Å; E215-E219 WeakPolarHBondContact O-CG 3.43Å; E215-E219 PolarHBondContact O-N 3.14Å
216L85.4Confident79.2Confident67 Ų67110.1 Ų110.135%0.35153%0.533SS..Hα-helixtrans-65.4-31.7173.6-74.4174.4000113.2R212 Q220R212-L216 WeakPolarHBondContact O-CG 3.26Å; R212-L216 PolarHBondContact O-N 3.1Å; R212-L216 VanDerWaalsContact O-N 3.16Å; L216-Q220 WeakPolarHBondContact O-CB 3.48Å; L216-Q220 PolarHBondContact O-N 3.46Å
217Q77.5Confident77.6Confident120 Ų120107.9 Ų107.956%0.56154%0.54SS*.Hα-helixtrans-73.7-41.1176.3-172172.1-11.700111.4L213 E214 E215 E219 Q220 D221L213-Q217 WeakPolarHBondContact O-CB 3.41Å; L213-Q217 PolarHBondContact O-N 3.2Å; E214-Q217 PolarHBondContact O-N 3.21Å; E215-Q217 VanDerWaalsContact C-N 3.3Å; E215-Q217 PolarHBondContact O-N 3.39Å; Q217-E219 VanDerWaalsContact C-N 3.32Å; Q217-E219 PolarHBondContact O-N 2.96Å; Q217-Q220 PolarHBondContact O-N 3.43Å; Q217-Q220 VanDerWaalsContact O-N 3.16Å; Q217-D221 WeakPolarHBondContact O-CB 3.37Å; Q217-D221 PolarHBondContact O-N 3.29Å
218D77.1Confident76Confident80 Ų80110.9 Ų110.943%0.42856%0.557SS.*Hα-helixtrans-63.6-36.7173.2-170.868.2000111.5E214 E215 R222E214-D218 PolarHBondContact O-N 2.96Å; E215-D218 PolarHBondContact O-N 3.21Å; D218-R222 VanDerWaalsContact O-CB 3.24Å; D218-R222 WeakPolarHBondContact O-CB 3.43Å; D218-R222 WeakPolarHBondContact O-CD 3.33Å; D218-R222 WeakPolarHBondContact O-CG 3.41Å; D218-R222 PolarHBondContact O-N 2.69Å; D218-R222 IonicContact OD2-CZ 3.34Å; D218-R222 IonicContact OD2-NE 3.91Å; D218-R222 IonicContact OD2-NH1 2.65Å; D218-R222 PolarHBondContact OD2-NH1 2.9Å
219E83.5Confident74.1Confident103 Ų103115.3 Ų115.348%0.48158%0.577SS.*Hα-helixtrans-62.9-45.3169.2-76-175.1170.300112.2E215 Q217 R222 L223E215-E219 WeakPolarHBondContact O-CG 3.43Å; E215-E219 PolarHBondContact O-N 3.14Å; Q217-E219 VanDerWaalsContact C-N 3.32Å; Q217-E219 PolarHBondContact O-N 2.96Å; E219-R222 PolarHBondContact O-N 3.01Å; E219-L223 WeakPolarHBondContact O-CB 3.24Å; E219-L223 VanDerWaalsContact O-CG 3.25Å; E219-L223 WeakPolarHBondContact O-CG 3.36Å; E219-L223 PolarHBondContact O-N 3.42Å
220Q74.8Confident71.8Confident142 Ų142118.9 Ų118.966%0.66460%0.599SS**Hα-helixtrans-69-41.2-179.2-175.9164.4-2.300112.5L216 Q217 L223 S224L216-Q220 WeakPolarHBondContact O-CB 3.48Å; L216-Q220 PolarHBondContact O-N 3.46Å; Q217-Q220 PolarHBondContact O-N 3.43Å; Q217-Q220 VanDerWaalsContact O-N 3.16Å; Q220-L223 PolarHBondContact O-N 3.01Å; Q220-S224 WeakPolarHBondContact O-CB 3.4Å; Q220-S224 PolarHBondContact O-N 3.16Å
221D74.3Confident69.5Low88 Ų88118.2 Ų118.247%0.47161%0.612SS.*Hα-helixtrans-62.8-46.5175-76.7-8.8000109.6Q217 L223 S224 D225Q217-D221 WeakPolarHBondContact O-CB 3.37Å; Q217-D221 PolarHBondContact O-N 3.29Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.88Å; D221-S224 PolarHBondContact O-N 2.87Å; D221-S224 VanDerWaalsContact O-N 3.08Å; D221-S224 PolarHBondContact O-OG 3.44Å; D221-D225 WeakPolarHBondContact O-CB 3.36Å; D221-D225 PolarHBondContact O-N 3.16Å
222R78.5Confident67Low157 Ų157121.8 Ų121.859%0.59263%0.629SS**Hα-helixtrans-58.9-37.6173.2-80.6173.7152.4140.810.4114.3D218 E219 N226D218-R222 VanDerWaalsContact O-CB 3.24Å; D218-R222 WeakPolarHBondContact O-CB 3.43Å; D218-R222 WeakPolarHBondContact O-CD 3.33Å; D218-R222 WeakPolarHBondContact O-CG 3.41Å; D218-R222 PolarHBondContact O-N 2.69Å; D218-R222 IonicContact OD2-CZ 3.34Å; D218-R222 IonicContact OD2-NE 3.91Å; D218-R222 IonicContact OD2-NH1 2.65Å; D218-R222 PolarHBondContact OD2-NH1 2.9Å; E219-R222 PolarHBondContact O-N 3.01Å; R222-N226 PolarHBondContact O-ND2 3.08Å
223L67.2Low64.3Low131 Ų131121.6 Ų121.669%0.68664%0.639SS**Hα-helixtrans-73.4-29.7176.2-73.8168.1000111.8E219 Q220 D221E219-L223 WeakPolarHBondContact O-CB 3.24Å; E219-L223 VanDerWaalsContact O-CG 3.25Å; E219-L223 WeakPolarHBondContact O-CG 3.36Å; E219-L223 PolarHBondContact O-N 3.42Å; Q220-L223 PolarHBondContact O-N 3.01Å; D221-L223 VanDerWaalsContact C-N 3.33Å; D221-L223 PolarHBondContact O-N 2.88Å
224S57Low61.7Low71 Ų71124.5 Ų124.550%0.49766%0.661SS.*Hα-helixtrans-74-36.9174.477.20000112.9Q220 D221 N226 A227Q220-S224 WeakPolarHBondContact O-CB 3.4Å; Q220-S224 PolarHBondContact O-N 3.16Å; D221-S224 PolarHBondContact O-N 2.87Å; D221-S224 VanDerWaalsContact O-N 3.08Å; D221-S224 PolarHBondContact O-OG 3.44Å; S224-N226 PolarHBondContact O-N 3.26Å; S224-N226 VanDerWaalsContact O-N 3.15Å; S224-A227 WeakPolarHBondContact O-CB 3.44Å; S224-A227 PolarHBondContact O-N 3.25Å
225D55.3Low59.2Low137 Ų137122.4 Ų122.473%0.73366%0.662SS**THydrogen-bonded Turntrans-70-8.7178.4-148.329.4000112.7D221D221-D225 WeakPolarHBondContact O-CB 3.36Å; D221-D225 PolarHBondContact O-N 3.16Å
226N57.8Low56.4Low133 Ų133121.6 Ų121.671%0.71167%0.671SS**THydrogen-bonded Turntrans-921.9171.5-82.7-86.1000113.9R222 S224R222-N226 PolarHBondContact O-ND2 3.08Å; S224-N226 PolarHBondContact O-N 3.26Å; S224-N226 VanDerWaalsContact O-N 3.15Å
227A53.8Low53.6Low76 Ų76123.3 Ų123.363%0.62869%0.688SS**SBendtrans-86.1-21.8178.700000114.2S224S224-A227 WeakPolarHBondContact O-CB 3.44Å; S224-A227 PolarHBondContact O-N 3.25Å
228D51Low51.1Low148 Ų148122.3 Ų122.379%0.79169%0.694SS**SBendtrans-106.329.9-172.6-83.3-26.2000114.4
229M49.4Very low48.7Very low179 Ų179121.9 Ų121.988%0.88270%0.697SS**  trans-125.964.6167.7-76.7-68.2156.900111.8
230N43.7Very low46.1Very low166 Ų166124.4 Ų124.489%0.88871%0.709SS**  trans-120.192.6166.6-168.323.8000109.4
231G37.3Very low44.1Very low68 Ų68126 Ų12670%0.70172%0.717SS**SBendtrans-171.850.1-169.300000113.3
232E35.9Very low41.9Very low181 Ų181130.1 Ų130.185%0.84673%0.733SS**  trans23.1103.7161.556.1-173.8175.300120.1
233D33.9Very low39.6Very low150 Ų150130.7 Ų130.780%0.80274%0.743SS**  trans14.8128.9132.9-58.8-42.5000119.9
234T32.1Very low37.7Very low144 Ų144132.5 Ų132.588%0.88375%0.747SS**  -152.699.3117.9300000112.9
235S31.1Very low36.4Very low101 Ų101136.1 Ų136.171%0.70676%0.757SS**  trans44.2121.8133.1-159.90000122
236S29Very low35.1Very low112 Ų112137.8 Ų137.878%0.78376%0.76SS**  trans72.7162135.7-65.40000120.6
237S25.7Very low33.8Very low103 Ų103139.8 Ų139.872%0.7277%0.765SS**  cis-179.5159.7-30.9-171.40000107.4
238S25.5Very low32.7Very low98 Ų98144.6 Ų144.669%0.68578%0.775SS**  trans70.2119149.5-135.50000121.3
239S25.8Very low31.9Very low71 Ų71147.5 Ų147.550%0.49778%0.78SS.*  62.3153.2122.768.30000123.8
240E29.8Very low30.8Very low156 Ų156147.8 Ų147.873%0.72978%0.779SS**  trans70.7149.1154.4-70.7126.6-152.600117.7
241E31.2Very low30.1Very low175 Ų175144.1 Ų144.182%0.81877%0.772SS**  cis-154.2-157.6-12.3-124.5169-161.800111.8
242E28.5Very low29.5Very low176 Ų176148.8 Ų148.882%0.82278%0.781SS**  trans-95.7-163.5-164.2-53.8-174.8134.300115.3
243E30Very low29.1Very low169 Ų169144 Ų14479%0.7977%0.773SS**  trans78.3120.5169.5-60.4-176.8177.700116.3
244E28.8Very low28.7Very low168 Ų168140.9 Ų140.979%0.78577%0.768SS**  68.1138.370.4-67.1-174.2-175.500111.9
245E29.2Very low28.4Very low148 Ų148141.8 Ų141.869%0.69277%0.766SS**  cis-160.11590.8-126.8-176.3-179.100108.4
246E28.1Very low28.8Very low171 Ų171142 Ų14280%0.79977%0.765SS**  trans53165.2158.6-54-165.7154.100118.5
247E30.6Very low28.7Very low176 Ų176142.4 Ų142.482%0.82276%0.762SS**  cis-147164.315.7-160.9-171.9-171.400110.1
248E29.4Very low28.9Very low177 Ų177145 Ų14583%0.82777%0.768SS**  trans-74.3142.9178.9-54.6175.6154.100113
249K34.2Very low28.9Very low209 Ų209143.4 Ų143.491%0.90977%0.767SS**  trans-161.8150.7131.5-114.4160.9-164.7163.80116.9
250E26.8Very low29.1Very low184 Ų184148.3 Ų148.386%0.8679%0.787SS**  trans-95.7171.2-174-162.7179.3-147.700111.8
251A28.6Very low29.1Very low89 Ų89146.3 Ų146.374%0.73679%0.791SS**  trans87.8106.6154.200000120.1
252D26Very low29.1Very low166 Ų166146.5 Ų146.589%0.88880%0.796SS**  105.8163.8120.6-14513.4000119.8
253A26.1Very low29.3Very low82 Ų82147.5 Ų147.568%0.67880%0.798SS**  trans-94.6167-144.200000117
254A25.8Very low29.8Very low84 Ų84144.2 Ų144.269%0.69479%0.791SS**  trans74.1107.4147.700000120.2
255L26.7Very low29.7Very low163 Ų163141.3 Ų141.385%0.85379%0.79SS**  46.8154.7110.8-63.7170.3000120.6
256P39.8Very low29.7Very low104 Ų104145 Ų14568%0.67580%0.797SS**  cis-139-154.9-34.733-9.9000112.2
257V26.5Very low29.8Very low121 Ų121141.8 Ų141.873%0.73379%0.793SS**  trans85.4129.1164.1-174.70000114.7
258N28.9Very low29.8Very low157 Ų157138.1 Ų138.184%0.8479%0.787SS**  cis-159142.240.7-143.9-10.2000116.5
259G26.9Very low30Very low65 Ų65136 Ų13667%0.6779%0.786SS**  trans77.3151.2153.900000120.1
260L29.1Very low30.6Very low175 Ų175130.3 Ų130.392%0.91677%0.77SS**  cis-158.7143.4-10-91.5174.1000110.1
261S30.4Very low30.8Very low114 Ų114129.8 Ų129.880%0.79777%0.768SS**  trans-138.4155.3145.470.20000110.1
262L31.6Very low30.8Very low179 Ų179130.4 Ų130.494%0.93777%0.766SS**  trans-71.1140.1-177.5-73.6151.3000111.5
263K31.7Very low31.1Very low196 Ų196128 Ų12885%0.85276%0.758SS**  trans-69176.8174.7-94.6178.7-176.6176.40112.9
264P41Very low31.4Very low101 Ų101132.6 Ų132.666%0.65677%0.766SS**  cis-144.2171.6-17.131.8-10.5000117.9
265S27.4Very low32.6Very low107 Ų107133.4 Ų133.475%0.74876%0.764SS**  trans75.7149.4137.766.70000121
266R27.7Very low32.9Very low226 Ų226132.6 Ų132.685%0.85376%0.759SS**  cis-161.6142.311.5-142176-179.2160.1-1.8114.6
267S31.7Very low32.5Very low102 Ų102134 Ų13471%0.71377%0.766SS**  trans58.4149145.742.60000121.9
268S30.3Very low32.6Very low99 Ų99131.5 Ų131.569%0.69277%0.765SS**  cis-176.1135.42.545.60000112.2
269V33.9Very low32.7Very low134 Ų134135.3 Ų135.381%0.81277%0.768SS**  91.8148.699.7165.30000115.5
270P46.3Very low32.9Very low88 Ų88139.5 Ų139.557%0.57177%0.768SS**  cis-155.2-169.6-32.548-27.9000119.4
271H30.8Very low33Very low174 Ų174138.2 Ų138.281%0.80676%0.757SS**  trans75.4151.7148.1-63.5-23.5000121.6
272S29.2Very low33.1Very low101 Ų101141.4 Ų141.471%0.70676%0.759SS**  cis-154.8136.521.5-151.90000116
273T31.8Very low33.1Very low117 Ų117139.8 Ų139.872%0.71875%0.752SS**  42.9141.1122.3-37.50000121.6
274Q31.8Very low33.2Very low178 Ų178140.5 Ų140.583%0.83275%0.75SS**  cis177.7172.6-25-116.5-161.9-24.200107.6
275P50.6Low32.9Very low101 Ų101144 Ų14466%0.65676%0.758SS**  trans-116.4-169.5-170.542.4-32.1000115.2
276L32.7Very low33.2Very low146 Ų146147.5 Ų147.576%0.76476%0.763SS**  trans159.4131.6134.1-83.7165.3000116.7
277T31.6Very low33.7Very low132 Ų132146 Ų14681%0.8177%0.765SS**  trans20.4155.2136.162.10000123.6
278G29Very low34Very low70 Ų70149 Ų14972%0.72277%0.773SS**  cis146.3154.9-1.800000113.1
279R30.9Very low34.3Very low237 Ų237146.9 Ų146.989%0.89477%0.767SS**  trans177.7125.1153.7-106-175-173.7-159.61.9117.7
280K32Very low34.8Very low153 Ų153146 Ų14667%0.66577%0.766SS**  trans58.9110.8136.1-69.7-177.1158.9-81.10124.9
281E31.4Very low34.7Very low147 Ų147147.6 Ų147.669%0.68778%0.778SS**  47.4123.5112.3-60.7163.1156.600121.2
282E31.3Very low35.7Very low182 Ų182145.7 Ų145.785%0.8577%0.774SS**  -178.1138100.7-95.4171.1-152.900113.8
283D31.7Very low36.7Very low145 Ų145146.8 Ų146.878%0.77578%0.778SS**  trans64.8163.1156-78.214000126.2
284Y34.2Very low38Very low210 Ų210145.8 Ų145.882%0.82477%0.772SS**  trans-112.3166.9-147.1-56.6-101.2000113.7
285E34.7Very low39.2Very low174 Ų174143.8 Ų143.881%0.81377%0.765SS**  trans-175.8163.6132.6-99.2-61.8164.900111.2
286E33.4Very low39.1Very low182 Ų182147.5 Ų147.585%0.8577%0.772SS**  trans-76.9144-153.2-64177.1138.200118.2
287E37.5Very low39.8Very low194 Ų194148.7 Ų148.791%0.90777%0.771SS**  trans-97.294.1166.4-174.1176.2-151.700110G289E287-G289 PolarHBondContact O-N 3.37Å
288D38.9Very low40.8Very low166 Ų166148 Ų14889%0.88877%0.772SS**  trans-74.186.7177.9-168.715.2000111.2S290D288-S290 PolarHBondContact O-N 3.21Å
289G37.2Very low41.9Very low53 Ų53152.7 Ų152.755%0.54678%0.775SS.*  trans-73122-176.900000112.9E287 C291E287-G289 PolarHBondContact O-N 3.37Å; G289-C291 PolarHBondContact O-N 3.24Å
290S43.8Very low43.3Very low115 Ų115147.6 Ų147.680%0.80477%0.77SS**  trans-62.895.8172.265.40000111.2D288 L292D288-S290 PolarHBondContact O-N 3.21Å; S290-L292 PolarHBondContact O-N 3.3Å
291C43.9Very low44.3Very low123 Ų123147.1 Ų147.183%0.83178%0.779SS**  trans-6898.1-176.7-175.20000112.1G289G289-C291 PolarHBondContact O-N 3.24Å
292L53.1Low45.3Very low134 Ų134147.6 Ų147.670%0.70278%0.781SS**  trans-76145.9157.5-63.1178.1000109S290 T294S290-L292 PolarHBondContact O-N 3.3Å; L292-T294 PolarHBondContact O-N 3.47Å
293P48.3Very low46.3Very low123 Ų123144.9 Ų144.980%0.79978%0.78SS**  trans-7089.7-179.128.3-34.7000111.5I295P293-I295 PolarHBondContact O-N 3.17Å
294T60.2Low47.4Very low97 Ų97146.9 Ų146.960%0.59578%0.781SS**PPolyproline II helixtrans-72.9121.8175-61.30000110.5L292 F296L292-T294 PolarHBondContact O-N 3.47Å; T294-F296 HydrophobicContact CG2-CD2 4.32Å; T294-F296 HydrophobicContact CG2-CE1 4.32Å; T294-F296 HydrophobicContact CG2-CE2 3.88Å; T294-F296 HydrophobicContact CG2-CZ 3.88Å; T294-F296 WeakPolarHBondContact O-CD2 3.42Å; T294-F296 PolarHBondContact O-N 2.96Å
295I56.5Low48.2Very low135 Ų135147 Ų14769%0.69279%0.786SS**PPolyproline II helixtrans-80.4116.7174-58.6174000108.4P293 F297P293-I295 PolarHBondContact O-N 3.17Å; I295-F297 HydrophobicContact CG2-CD2 4.08Å; I295-F297 HydrophobicContact CG2-CE2 3.59Å; I295-F297 HydrophobicContact CG2-CZ 4.05Å
296F48.7Very low49.1Very low179 Ų179143.3 Ų143.379%0.78578%0.776SS**PPolyproline II helixtrans-94.5126.8173.1-67-88.7000110.4T294T294-F296 HydrophobicContact CG2-CD2 4.32Å; T294-F296 HydrophobicContact CG2-CE1 4.32Å; T294-F296 HydrophobicContact CG2-CE2 3.88Å; T294-F296 HydrophobicContact CG2-CZ 3.88Å; T294-F296 WeakPolarHBondContact O-CD2 3.42Å; T294-F296 PolarHBondContact O-N 2.96Å
297F48.3Very low50Low172 Ų172144.7 Ų144.775%0.75477%0.773SS**PPolyproline II helixtrans-102.5118168.3-73.8-86.4000109.5I295I295-F297 HydrophobicContact CG2-CD2 4.08Å; I295-F297 HydrophobicContact CG2-CE2 3.59Å; I295-F297 HydrophobicContact CG2-CZ 4.05Å
298S51.3Low50.9Low118 Ų118141.6 Ų141.683%0.82576%0.761SS**  trans-88.2114.8168.945.70000109.9
299H51.5Low51.5Low168 Ų168138.5 Ų138.578%0.77875%0.745SS**  trans-80.2120.8170-75.3-131.7000108.5V301H299-V301 PolarHBondContact O-N 2.68Å
300T60.9Low52.3Low130 Ų130142.7 Ų142.780%0.79876%0.76SS**  trans-70.9115.6171.952.40000109.2E302T300-E302 PolarHBondContact O-N 3.01Å
301V54.3Low52.5Low142 Ų142139.9 Ų139.986%0.86175%0.749SS**SBendtrans-71.3-13.7-174.6-176.70000112.6H299H299-V301 PolarHBondContact O-N 2.68Å
302E51.9Low53.2Low157 Ų157143.5 Ų143.573%0.73475%0.751SS**SBendtrans-109.1123179.7-67.7179.8-174.300112.6T300 K304T300-E302 PolarHBondContact O-N 3.01Å; E302-K304 PolarHBondContact O-N 3.02Å
303P51Low53.1Low125 Ų125145.6 Ų145.681%0.81276%0.763SS**  trans-74.895.117630.2-33.5000110.7K305P303-K305 PolarHBondContact O-N 3.42Å; P303-K305 VanDerWaalsContact O-N 3.1Å
304K55Low53.2Low187 Ų187145.4 Ų145.481%0.81376%0.76SS**  trans-58.2116.1169.9-87.2180176.1168.50110.4E302 V306E302-K304 PolarHBondContact O-N 3.02Å; K304-V306 VanDerWaalsContact C-N 3.34Å; K304-V306 PolarHBondContact O-N 3.39Å
305K51.8Low52.6Low213 Ų213146.3 Ų146.393%0.92677%0.765SS**  trans-6688.2174-66.6-178-179.3175.70110.3P303 R307P303-K305 PolarHBondContact O-N 3.42Å; P303-K305 VanDerWaalsContact O-N 3.1Å; K305-R307 PolarHBondContact O-N 3.47Å
306V53.9Low52.1Low97 Ų97145.7 Ų145.759%0.58876%0.763SS**  trans-76.5108.7172.4-178.60000108.7K304 I308K304-V306 VanDerWaalsContact C-N 3.34Å; K304-V306 PolarHBondContact O-N 3.39Å; V306-I308 HydrophobicContact CG1-CG1 4.43Å; V306-I308 PolarHBondContact O-N 2.64Å
307R51.3Low52Low210 Ų210145.8 Ų145.879%0.79276%0.763SS**  trans-72.897.4174.1-174.6-174.9139.4122.81.7109.9K305 N309K305-R307 PolarHBondContact O-N 3.47Å; R307-N309 PolarHBondContact NE-OD1 3.27Å; R307-N309 PolarHBondContact NH2-OD1 3.1Å; R307-N309 PolarHBondContact O-N 3.41Å
308I56.3Low51.5Low129 Ų129146.5 Ų146.566%0.66277%0.766SS**  trans-75105175.2-53.7174.9000108.5V306 T310V306-I308 HydrophobicContact CG1-CG1 4.43Å; V306-I308 PolarHBondContact O-N 2.64Å; I308-T310 HydrophobicContact CG2-CG2 4.07Å; I308-T310 PolarHBondContact O-N 3.07Å; I308-T310 VanDerWaalsContact O-N 3.11Å
309N53Low51.3Low102 Ų102146.2 Ų146.255%0.54576%0.764SS.*  trans-72.5100.8168.6-63.9-54.1000108.2R307 G311R307-N309 PolarHBondContact NE-OD1 3.27Å; R307-N309 PolarHBondContact NH2-OD1 3.1Å; R307-N309 PolarHBondContact O-N 3.41Å; N309-G311 PolarHBondContact O-N 2.85Å
310T52.7Low51Low140 Ų140145.5 Ų145.586%0.85976%0.761SS**  trans-75.857-179.844.30000112.4I308I308-T310 HydrophobicContact CG2-CG2 4.07Å; I308-T310 PolarHBondContact O-N 3.07Å; I308-T310 VanDerWaalsContact O-N 3.11Å
311G49.2Very low50.4Low57 Ų57150.5 Ų150.559%0.58877%0.765SS**SBendtrans-14085.4-178.100000112N309N309-G311 PolarHBondContact O-N 2.85Å
312K58.4Low50.1Low198 Ų198152.9 Ų152.986%0.86176%0.764SS**SBendtrans72.6133.7174.7-51.4174.3-175.8177.20115.3T314K312-T314 PolarHBondContact O-N 3.34Å
313N49.9Very low49.9Very low178 Ų178151.5 Ų151.595%0.95276%0.757SS**  trans-29.5109.2-176-53.8-15.7000115.9
314T50.7Low49.8Very low120 Ų120152.5 Ų152.574%0.73675%0.751SS**  trans-133.2125170.6167.20000110.2K312K312-T314 PolarHBondContact O-N 3.34Å
315T46.9Very low49.5Very low115 Ų115151.8 Ų151.871%0.70675%0.748SS**  trans-82.9129.3174.932.90000110.3K317T315-K317 PolarHBondContact O-N 2.74Å
316L46.7Very low49.4Very low123 Ų123148.7 Ų148.764%0.64474%0.737SS**  trans-63115.7-176.8-140.9154.9000110.4F318L316-F318 HydrophobicContact CD2-CD2 4.43Å; L316-F318 HydrophobicContact CD2-CE1 4.41Å; L316-F318 HydrophobicContact CD2-CE2 4Å; L316-F318 HydrophobicContact CD2-CZ 4Å
317K46.4Very low49.2Very low181 Ų181150.3 Ų150.379%0.78774%0.738SS**  trans-101.3115177.6-68.5-67.8-173.4177.50110T315T315-K317 PolarHBondContact O-N 2.74Å
318F38.9Very low49.1Very low187 Ų187144.4 Ų144.482%0.8273%0.729SS**  trans-78.3139.7168-68.2-86.8000110.2L316L316-F318 HydrophobicContact CD2-CD2 4.43Å; L316-F318 HydrophobicContact CD2-CE1 4.41Å; L316-F318 HydrophobicContact CD2-CE2 4Å; L316-F318 HydrophobicContact CD2-CZ 4Å
319S45.8Very low48.7Very low111 Ų111147 Ų14778%0.77674%0.735SS**  trans-98.296.1-174.545.20000112.6R321S319-R321 PolarHBondContact O-N 3.13Å
320E46Very low48.5Very low153 Ų153153 Ų15372%0.71575%0.75SS**THydrogen-bonded Turntrans-62.915.3177.9-155.1-166.5146.200115.1
321R47.5Very low48.4Very low236 Ų236155.9 Ų155.989%0.89175%0.751SS**THydrogen-bonded Turntrans-89-9.3-165.3-164.6170.3-76.8-177.8-3.3114.7S319S319-R321 PolarHBondContact O-N 3.13Å
322K49Very low48.4Very low192 Ų192162.8 Ų162.884%0.83576%0.764SS**SBendtrans-99.1-24.9-174.4-146.5171.7-177.1-178.40114.8
323E47Very low47.9Very low128 Ų128162.6 Ų162.660%0.59876%0.764SS**THydrogen-bonded Turntrans-73.4-33.7-173.2-162.3170.2171.500113.5K325 E326 H327E323-K325 PolarHBondContact O-N 3.32Å; E323-E326 PolarHBondContact O-N 3.5Å; E323-H327 PolarHBondContact O-CD2 2.84Å
324Q49.3Very low47.1Very low145 Ų145161.7 Ų161.768%0.67876%0.759SS**Hα-helixtrans-67-18.7-179.3-66.2-176.1200114.6E326 S328Q324-E326 VanDerWaalsContact C-N 3.31Å; Q324-S328 PolarHBondContact O-OG 2.94Å; Q324-S328 VanDerWaalsContact O-OG 3.11Å
325K48.6Very low46.5Very low172 Ų172159.3 Ų159.375%0.74876%0.758SS**Hα-helixtrans-78.1-15.8179.7-161.7174.8-178.1-179.20113E323 S328E323-K325 PolarHBondContact O-N 3.32Å; K325-S328 PolarHBondContact O-OG 2.85Å
326E50.3Low46.2Very low149 Ų149163.3 Ų163.370%0.69677%0.768SS**Hα-helixtrans-92.3-43.6-176.7-159.9167.917400111.9E323 Q324 S328 K329E323-E326 PolarHBondContact O-N 3.5Å; Q324-E326 VanDerWaalsContact C-N 3.31Å; E326-S328 PolarHBondContact O-N 2.86Å; E326-K329 PolarHBondContact O-N 2.68Å
327H48.4Very low45.5Very low131 Ų131163.7 Ų163.761%0.60678%0.781SS**Hα-helixtrans-63.9-23.1178.5-68.1-68.1000114.6E323 K329E323-H327 PolarHBondContact O-CD2 2.84Å; H327-K329 VanDerWaalsContact C-N 3.33Å; H327-K329 PolarHBondContact O-N 3.44Å
328S49.2Very low44.9Very low86 Ų86163 Ų16360%0.60179%0.786SS**THydrogen-bonded Turntrans-74.7-16.9-179.334.70000113.9Q324 K325 E326Q324-S328 PolarHBondContact O-OG 2.94Å; Q324-S328 VanDerWaalsContact O-OG 3.11Å; K325-S328 PolarHBondContact O-OG 2.85Å; E326-S328 PolarHBondContact O-N 2.86Å
329K48.2Very low45.1Very low182 Ų182156.8 Ų156.879%0.79177%0.774SS**THydrogen-bonded Turntrans-84.2-21.2179.2-71.4-172.8175.7-176.10114.9E326 H327E326-K329 PolarHBondContact O-N 2.68Å; H327-K329 VanDerWaalsContact C-N 3.33Å; H327-K329 PolarHBondContact O-N 3.44Å
330R49.6Very low44.4Very low230 Ų230160.2 Ų160.287%0.86878%0.778SS**SBendtrans-86.8-6.7-174.5-70.8173.679.3164.11.8114.8K332R330-K332 PolarHBondContact O-N 2.75Å
331K49.8Very low44.1Very low200 Ų200158.7 Ų158.787%0.8778%0.784SS**  trans-98.644.4-168.6-148.5178.9-173.2-177.50114.7
332K50.2Low43.6Very low201 Ų201155.7 Ų155.787%0.87478%0.78SS**SBendtrans-142.446.1178.1-151.6174.2-175.7177.20115.2R330R330-K332 PolarHBondContact O-N 2.75Å
333K46.7Very low43.4Very low194 Ų194153.7 Ų153.784%0.84377%0.773SS**  trans-154.5148.9156-133.9176-178.5-177.60111.1
334N34.3Very low43.3Very low160 Ų160155.3 Ų155.386%0.85678%0.781SS**  trans94.3110.3174.4-56.65.5000115.7
335G37.8Very low43.5Very low69 Ų69156.2 Ų156.271%0.71179%0.789SS**  trans-126.5172159.100000109.3
336H39.6Very low44.1Very low199 Ų199152 Ų15292%0.92177%0.772SS**  trans69.394.7-176.6-77.575.5000117.4
337S32.5Very low44.9Very low132 Ų132153.5 Ų153.592%0.92378%0.776SS**  -158.8161.7121.754.90000109.5
338N34.3Very low45.9Very low167 Ų167151.6 Ų151.689%0.89377%0.77SS**  trans-113.3146.5-165.7-174.326.3000111.3
339G42.4Very low47.2Very low55 Ų55153.3 Ų153.357%0.56778%0.777SS**  trans88.265.9157.300000118.9
340H32Very low48.2Very low183 Ų183147.9 Ų147.985%0.84776%0.759SS**  -177.3124.5126.2-97.2-53.9000110.5H342H340-H342 VanDerWaalsContact C-N 3.34Å; H340-H342 PolarHBondContact O-N 3.14Å
341S40.1Very low49.2Very low121 Ų121142 Ų14285%0.84675%0.751SS**  trans-76.583.2174.3560000110.5H343S341-H343 PolarHBondContact O-N 3.45Å
342H36.6Very low50Low173 Ų173135.6 Ų135.680%0.80174%0.735SS**  trans-52.2136.4159.9-91.3-104.9000108.6H340 E344H340-H342 VanDerWaalsContact C-N 3.34Å; H340-H342 PolarHBondContact O-N 3.14Å; H342-E344 PolarHBondContact O-N 3.1Å
343H44.1Very low51.1Low151 Ų151127.4 Ų127.470%0.69970%0.701SS**  trans-52.3117.6176.3-94.4-30.4000109.5S341 L345S341-H343 PolarHBondContact O-N 3.45Å; H343-L345 PolarHBondContact O-N 2.94Å
344E44.8Very low52.5Low161 Ų161121.9 Ų121.975%0.75268%0.679SS**  trans-56.3114173-176.7173.5-156.600108.1H342 H346H342-E344 PolarHBondContact O-N 3.1Å; E344-H346 PolarHBondContact O-N 3.41Å; E344-H346 PolarHBondContact O-ND1 3.24Å
345L53.6Low54.2Low164 Ų164122.6 Ų122.686%0.85967%0.671SS**  trans-5799.6-174.3-71.4169.9000109.8H343 K347H343-L345 PolarHBondContact O-N 2.94Å; L345-K347 PolarHBondContact O-N 3.1Å
346H61.7Low55.7Low84 Ų84125 Ų12539%0.38966%0.659SS.*  trans-6599.3-179.9-65.7-37.9000109.2E344 I348 L357E344-H346 PolarHBondContact O-N 3.41Å; E344-H346 PolarHBondContact O-ND1 3.24Å; H346-I348 PolarHBondContact O-N 2.71Å; H346-I348 VanDerWaalsContact O-N 3.12Å; H346-L357 HydrophobicContact CB-CD2 4.12Å
347K66.2Low57Low180 Ų180118.1 Ų118.178%0.78363%0.629SS**  trans-60.1115.8172.1-66.5-171.2175.9-167.70108.6L345 T349L345-K347 PolarHBondContact O-N 3.1Å; K347-T349 PolarHBondContact O-N 2.97Å
348I71.3Confident58.7Low92 Ų92118 Ų11847%0.47261%0.612SS.*  trans-84100175.4-54.8173.3000106.2H346 D353 I354 L357H346-I348 PolarHBondContact O-N 2.71Å; H346-I348 VanDerWaalsContact O-N 3.12Å; I348-D353 HydrophobicContact CG2-CB 4.11Å; I348-I354 HydrophobicContact CD1-CG1 4.41Å; I348-I354 HydrophobicContact CG2-CG1 3.9Å; I348-L357 HydrophobicContact CD1-CD1 4.03Å
349T75.9Confident60.3Low121 Ų121112.2 Ų112.274%0.74258%0.583SS**  trans-96.4-27.5179.8-52.80000110.9K347 D353K347-T349 PolarHBondContact O-N 2.97Å; T349-D353 PolarHBondContact N-OD2 2.76Å
350T69.8Low61.6Low68 Ų68113.2 Ų113.242%0.41758%0.575SS.*SBendtrans-132.4155.6178.264.50000111.5A352 D353T350-A352 PolarHBondContact O-N 2.83Å; T350-A352 VanDerWaalsContact O-N 3.1Å; T350-D353 PolarHBondContact N-OD2 3Å; T350-D353 WeakPolarHBondContact O-CB 3.35Å; T350-D353 PolarHBondContact O-N 2.95Å; T350-D353 PolarHBondContact OG1-OD2 3.16Å
351P68.9Low63.2Low108 Ų108111.7 Ų111.770%0.70157%0.57SS**G310 helixtrans-58.4-24.9177.9-26.335.6000114.4D353P351-D353 VanDerWaalsContact C-N 3.29Å; P351-D353 PolarHBondContact O-N 3.42Å
352A68.1Low64.1Low65 Ų65112 Ų11254%0.53756%0.556SS.*G310 helixtrans-68.9-25.5175.600000113.1T350 I354 Y355T350-A352 PolarHBondContact O-N 2.83Å; T350-A352 VanDerWaalsContact O-N 3.1Å; A352-I354 PolarHBondContact O-N 3.38Å; A352-Y355 PolarHBondContact O-N 3.48Å
353D72.2Confident65.2Low29 Ų29111.7 Ų111.716%0.15556%0.56CS.*G310 helixtrans-66.7-21-179.8-68.1-56.3000113.1I348 T349 T350 P351 Y355 R356I348-D353 HydrophobicContact CG2-CB 4.11Å; T349-D353 PolarHBondContact N-OD2 2.76Å; T350-D353 PolarHBondContact N-OD2 3Å; T350-D353 WeakPolarHBondContact O-CB 3.35Å; T350-D353 PolarHBondContact O-N 2.95Å; T350-D353 PolarHBondContact OG1-OD2 3.16Å; P351-D353 VanDerWaalsContact C-N 3.29Å; P351-D353 PolarHBondContact O-N 3.42Å; D353-Y355 VanDerWaalsContact C-N 3.27Å; D353-Y355 PolarHBondContact O-N 3.02Å; D353-R356 WeakPolarHBondContact O-CB 3.35Å; D353-R356 PolarHBondContact O-N 3.16Å; D353-R356 IonicContact OD1-CZ 3.96Å; D353-R356 IonicContact OD1-NH1 3.74Å; D353-R356 PolarHBondContact OD1-NH1 3.06Å
354I77Confident66.2Low77 Ų77107.3 Ų107.340%0.39556%0.556SS.*G310 helixtrans-61.4-37.2177.6-59.4172.8000110.8I348 A352 R356 L357 F358I348-I354 HydrophobicContact CD1-CG1 4.41Å; I348-I354 HydrophobicContact CG2-CG1 3.9Å; A352-I354 PolarHBondContact O-N 3.38Å; I354-R356 PolarHBondContact O-N 3.43Å; I354-L357 WeakPolarHBondContact O-CB 3.43Å; I354-L357 PolarHBondContact O-N 3.29Å; I354-L357 VanDerWaalsContact O-N 3.08Å; I354-F358 HydrophobicContact CG2-CE2 4.1Å; I354-F358 WeakPolarHBondContact O-CD2 3.46Å
355Y68.7Low67Low175 Ų175106.2 Ų106.269%0.68655%0.551SS**G310 helixtrans-64.3-27.5-179.6-66.5-80.9000112.9A352 D353 L357 F358 V359A352-Y355 PolarHBondContact O-N 3.48Å; D353-Y355 VanDerWaalsContact C-N 3.27Å; D353-Y355 PolarHBondContact O-N 3.02Å; Y355-L357 PolarHBondContact O-N 2.79Å; Y355-F358 PolarHBondContact O-N 2.88Å; Y355-F358 VanDerWaalsContact O-N 3.16Å; Y355-V359 WeakPolarHBondContact O-CG2 3.43Å; Y355-V359 PolarHBondContact O-N 3.12Å
356R70.6Confident67.7Low119 Ų119102.9 Ų102.945%0.44954%0.539SS..G310 helixtrans-67.6-16.4175.9-67.516641-123-19.4113.3D353 I354 F358D353-R356 WeakPolarHBondContact O-CB 3.35Å; D353-R356 PolarHBondContact O-N 3.16Å; D353-R356 IonicContact OD1-CZ 3.96Å; D353-R356 IonicContact OD1-NH1 3.74Å; D353-R356 PolarHBondContact OD1-NH1 3.06Å; I354-R356 PolarHBondContact O-N 3.43Å; R356-F358 VanDerWaalsContact C-N 3.32Å
357L66.6Low67.9Low56 Ų56101.7 Ų101.729%0.29354%0.535SS..G310 helixtrans-76.8-20.6174.6-58.3171.7000112.9H346 I348 I354 Y355 R369H346-L357 HydrophobicContact CB-CD2 4.12Å; I348-L357 HydrophobicContact CD1-CD1 4.03Å; I354-L357 WeakPolarHBondContact O-CB 3.43Å; I354-L357 PolarHBondContact O-N 3.29Å; I354-L357 VanDerWaalsContact O-N 3.08Å; Y355-L357 PolarHBondContact O-N 2.79Å; L357-R369 PolarHBondContact O-NH1 2.94Å
358F66.9Low68.1Low128 Ų12897.6 Ų97.656%0.56153%0.527SS*.SBendtrans-113.94.1-172.4-60.2-76.6000113.5I354 Y355 R356 R369I354-F358 HydrophobicContact CG2-CE2 4.1Å; I354-F358 WeakPolarHBondContact O-CD2 3.46Å; Y355-F358 PolarHBondContact O-N 2.88Å; Y355-F358 VanDerWaalsContact O-N 3.16Å; R356-F358 VanDerWaalsContact C-N 3.32Å; F358-R369 WeakPolarHBondContact O-CB 3.18Å; F358-R369 PolarHBondContact O-N 3.43Å
359V68Low68.1Low47 Ų4798.9 Ų98.929%0.28553%0.525SS..EExtended strand (participates in β ladder)trans-126115.8-179.6176.90000108.5Y355 P366 I367Y355-V359 WeakPolarHBondContact O-CG2 3.43Å; Y355-V359 PolarHBondContact O-N 3.12Å; V359-P366 HydrophobicContact CG1-CB 3.52Å; V359-I367 CarbonylContact C-O 3.59Å; V359-I367 WeakPolarHBondContact CA-O 3.45Å
360D70Confident67.4Low75 Ų75102.9 Ų102.940%0.40153%0.533SS..EExtended strand (participates in β ladder)trans-84.2140173.6-72.3-50.6000110.1I367 R369D360-I367 PolarHBondContact N-O 3.34Å; D360-I367 PolarHBondContact O-N 3.4Å; D360-R369 IonicContact OD1-CZ 2.74Å; D360-R369 VanDerWaalsContact OD1-CZ 3.22Å; D360-R369 IonicContact OD1-NE 3.94Å; D360-R369 PolarHBondContact OD1-NE 3.26Å; D360-R369 IonicContact OD1-NH2 2.75Å; D360-R369 PolarHBondContact OD1-NH2 3.28Å; D360-R369 WeakPolarHBondContact OD2-CG 3.24Å; D360-R369 IonicContact OD2-CZ 3.7Å; D360-R369 IonicContact OD2-NE 2.68Å; D360-R369 PolarHBondContact OD2-NE 2.84Å; D360-R369 IonicContact OD2-NH2 3.78Å
361M67.1Low66.7Low151 Ų151103.5 Ų103.574%0.74454%0.54SS*.EExtended strand (participates in β ladder)trans-94.3117.3170.9-66.7-178.366.400109.6
362K58.7Low66.1Low129 Ų129106.4 Ų106.456%0.56155%0.548SS*.EExtended strand (participates in β ladder)trans-118.6131.7166.898.9-176.9179.5-158.30108.9G364 E365 I367K362-G364 PolarHBondContact O-N 2.83Å; K362-E365 PolarHBondContact N-O 2.99Å; K362-E365 VanDerWaalsContact N-O 3.17Å; K362-E365 PolarHBondContact O-N 2.88Å; K362-I367 HydrophobicContact CB-CD1 4.48Å; K362-I367 HydrophobicContact CD-CD1 3.43Å; K362-I367 VanDerWaalsContact CD-CD1 3.43Å; K362-I367 HydrophobicContact CG-CD1 3.61Å
363N59.5Low65.1Low166 Ų166110.9 Ų110.989%0.88856%0.562SS**THydrogen-bonded Turntrans5226.1179.4-56.2-3.5000114.8
364G64.6Low63.9Low59 Ų59118 Ų11861%0.60859%0.591SS**THydrogen-bonded Turntrans88.8-10.6-177.200000115.6K362K362-G364 PolarHBondContact O-N 2.83Å
365E60.9Low62.2Low138 Ų138119.6 Ų119.665%0.64561%0.609SS**EExtended strand (participates in β ladder)trans-93.4136.4176.9-69.8-170.3153.900112.3K362K362-E365 PolarHBondContact N-O 2.99Å; K362-E365 VanDerWaalsContact N-O 3.17Å; K362-E365 PolarHBondContact O-N 2.88Å
366P68.6Low61Low94 Ų94123.1 Ų123.161%0.6162%0.621SS**EExtended strand (participates in β ladder)trans-78120.5176.729.8-32.1000111.4V359V359-P366 HydrophobicContact CG1-CB 3.52Å
367I66Low59.6Low59 Ų59122.6 Ų122.630%0.30364%0.636SS.*EExtended strand (participates in β ladder)trans-119119.8179.9-65.2176.3000109.8V359 D360 K362 R369V359-I367 CarbonylContact C-O 3.59Å; V359-I367 WeakPolarHBondContact CA-O 3.45Å; D360-I367 PolarHBondContact N-O 3.34Å; D360-I367 PolarHBondContact O-N 3.4Å; K362-I367 HydrophobicContact CB-CD1 4.48Å; K362-I367 HydrophobicContact CD-CD1 3.43Å; K362-I367 VanDerWaalsContact CD-CD1 3.43Å; K362-I367 HydrophobicContact CG-CD1 3.61Å; I367-R369 PolarHBondContact O-N 3.17Å
368P71.3Confident58.3Low93 Ų93130 Ų13060%0.60466%0.66SS**EExtended strand (participates in β ladder)trans-66.9135.6179.127.2-33.6000111.2K370P368-K370 PolarHBondContact O-N 3.48Å
369R70.4Confident57.1Low119 Ų119132.2 Ų132.245%0.44967%0.672SS.*PPolyproline II helixtrans-62.4128.3174.3-73.8176.1172.8175.9-7.5109.6L357 F358 D360 I367L357-R369 PolarHBondContact O-NH1 2.94Å; F358-R369 WeakPolarHBondContact O-CB 3.18Å; F358-R369 PolarHBondContact O-N 3.43Å; D360-R369 IonicContact OD1-CZ 2.74Å; D360-R369 VanDerWaalsContact OD1-CZ 3.22Å; D360-R369 IonicContact OD1-NE 3.94Å; D360-R369 PolarHBondContact OD1-NE 3.26Å; D360-R369 IonicContact OD1-NH2 2.75Å; D360-R369 PolarHBondContact OD1-NH2 3.28Å; D360-R369 WeakPolarHBondContact OD2-CG 3.24Å; D360-R369 IonicContact OD2-CZ 3.7Å; D360-R369 IonicContact OD2-NE 2.68Å; D360-R369 PolarHBondContact OD2-NE 2.84Å; D360-R369 IonicContact OD2-NH2 3.78Å; I367-R369 PolarHBondContact O-N 3.17Å
370K61.7Low55.7Low205 Ų205138.2 Ų138.289%0.89170%0.703SS**PPolyproline II helixtrans-63.4137.7-179.6-54-175.5-173.4-177.80109.5P368P368-K370 PolarHBondContact O-N 3.48Å
371S54.6Low54Low81 Ų81138 Ų13857%0.56671%0.707SS**PPolyproline II helixtrans-64.9142.2-174.271.50000112.5L373S371-L373 PolarHBondContact O-N 2.65Å
372I57.2Low52.9Low170 Ų170137.8 Ų137.887%0.87271%0.714SS**THydrogen-bonded Turntrans-65.9-4.9177.557.9172.8000114K374I372-K374 VanDerWaalsContact C-N 3.3Å; I372-K374 PolarHBondContact O-N 2.96Å
373L45.7Very low51.6Low159 Ų159137.4 Ų137.483%0.83273%0.726SS**THydrogen-bonded Turntrans-84.84.8-179.1-12680.8000114.3S371S371-L373 PolarHBondContact O-N 2.65Å
374K48Very low50.5Low177 Ų177135.5 Ų135.577%0.7773%0.726SS**SBendtrans-116.9108.7170.8-76.1174.9177.2175.30109I372I372-K374 VanDerWaalsContact C-N 3.3Å; I372-K374 PolarHBondContact O-N 2.96Å
375S42.1Very low48.9Very low111 Ų111139.7 Ų139.778%0.77673%0.734SS**  trans-57.9134.1-177.5380000112.1S377S375-S377 PolarHBondContact O-N 2.96Å
376R41.8Very low47.6Very low249 Ų249139 Ų13994%0.9474%0.74SS**  trans-76.784.4169.8-79.9179.6151.2-166.7-8.5109.9R378R376-R378 PolarHBondContact O-N 3.02Å
377S42.5Very low45.9Very low108 Ų108139 Ų13976%0.75574%0.742SS**  trans-77.2106.5164.257.80000110.2S375S375-S377 PolarHBondContact O-N 2.96Å
378R39.5Very low44.5Very low211 Ų211144.3 Ų144.380%0.79677%0.766SS**  trans60.796154.4-169.4-176.1-176.3178.40.8117.8R376R376-R378 PolarHBondContact O-N 3.02Å
379E41.9Very low42.6Very low176 Ų176145.2 Ų145.282%0.82277%0.774SS**  trans-148.1106.2134.859.5-169.6167.100109.9
380N37.3Very low40.9Very low172 Ų172145.3 Ų145.392%0.9279%0.793SS**  trans159.456.8163.7-86.4-9.2000108.6
381S35.3Very low39.6Very low72 Ų72140.4 Ų140.450%0.50379%0.791SS.*  trans-110.8101.217257.80000109.3C383S381-C383 PolarHBondContact O-N 3.11Å
382V43.1Very low38.5Very low145 Ų145141.4 Ų141.488%0.87980%0.804SS**  trans-83.298.7163.2178.10000107.3
383C32.3Very low37.6Very low122 Ų122140.4 Ų140.482%0.82480%0.8SS**  trans-150.5128.8163.8-87.60000107.2S381S381-C383 PolarHBondContact O-N 3.11Å
384S36.3Very low36.7Very low125 Ų125142.4 Ų142.487%0.87480%0.803SS**  trans-74.7150.9-172.8-59.60000113.1
385D31.3Very low36.2Very low148 Ų148141.6 Ų141.679%0.79180%0.801SS**  trans-69.2130.3171.2173.122000112.1
386T33.8Very low36Very low123 Ų123143.1 Ų143.176%0.75580%0.796SS**  trans-152113144.752.20000109.8
387S32.4Very low35.6Very low95 Ų95141.3 Ų141.366%0.66479%0.79SS**  trans66.1153.9147.3-60.70000118.4
388E36.9Very low35.2Very low170 Ų170147 Ų14779%0.79480%0.795SS**  cis-162.3154.9-10.643.8-163.982.200109.1
389S31Very low34.9Very low111 Ų111145.2 Ų145.278%0.77680%0.797SS**  trans10.5138.7152.7-49.90000119.9
390S34Very low34.5Very low121 Ų121145 Ų14585%0.84680%0.8SS**  cis-166.2168.332.9-98.70000112.2
391A33.7Very low34.2Very low102 Ų102139.7 Ų139.784%0.84379%0.786SS**  trans-91153.4171.900000113.6
392A32.7Very low34.1Very low102 Ų102148.3 Ų148.384%0.84381%0.807SS**  trans-169.1135145.900000112
393D37.3Very low33.4Very low149 Ų149146.7 Ų146.780%0.79780%0.803SS**  trans-65.9148.4159.3-70.5-79.5000111.3
394F28.5Very low33.3Very low202 Ų202150.7 Ų150.789%0.88681%0.806SS**  -175.8159.9101.8-122.9-95.9000115.4
395E37.3Very low33Very low159 Ų159150 Ų15074%0.74380%0.802SS**  trans-63164.5174.7-168.765-12200114.9
396E36.7Very low32.8Very low143 Ų143149.9 Ų149.967%0.66880%0.796SS**  trans56.4126.5158.3-100-161152.300120.4
397R33.8Very low32.7Very low212 Ų212151.7 Ų151.780%0.880%0.801SS**  -176.6151.197.4-166.5149.8-66.5-105.2-15.7112.6
398R34.8Very low32.7Very low228 Ų228153 Ų15386%0.8680%0.797SS**  trans-98.1147.5175.1-160.3-173.3-58.4-171.22.7110.6
399M32.1Very low32.5Very low173 Ų173153 Ų15385%0.85280%0.799SS**  trans93.2153.6151.4-146.6164.3-152.700120.2
400I33.6Very low32.7Very low172 Ų172150.8 Ų150.888%0.88278%0.781SS**  trans82.5127177.6-47.2153.1000113.6
401G31.4Very low32.6Very low60 Ų60153 Ų15362%0.61978%0.777SS**  cis153.4154.7-7.100000112.6
402R32.7Very low32.6Very low252 Ų252153 Ų15395%0.95177%0.771SS**  trans71.5151.2174.5-64.8-179.5173.3-170.9-2.6116.4
403S29.3Very low32.4Very low112 Ų112154.5 Ų154.578%0.78377%0.765SS**  cis-163.3170.5-7.437.20000112.8
404F30.2Very low32.2Very low205 Ų205153 Ų15390%0.89976%0.762SS**  trans-59.8152.4179.2-75.2-111.8000117.6
405S29.7Very low32.7Very low112 Ų112148.7 Ų148.778%0.78376%0.756SS**  trans-159.8113.4134.854.20000106.1
406H27.3Very low32.8Very low144 Ų144149 Ų14967%0.66776%0.763SS**  54.8106.359.2-158.7-35.1000113.4
407D31.1Very low32.6Very low162 Ų162145.7 Ų145.787%0.86677%0.767SS**  trans-145.9131.7146.8-136.6-48.3000107.6
408E33.1Very low32.6Very low122 Ų122142.8 Ų142.857%0.5777%0.766SS**  trans-119.6142179.5-113.6-158.910000107.7
409M32.2Very low32.4Very low171 Ų171137.2 Ų137.284%0.84276%0.758SS**  trans-149.883.2148-155.764.6-168.700111.8
410T34.7Very low32.6Very low64 Ų64136.8 Ų136.839%0.39375%0.753SS.*  trans36.5122.7133.363.30000121.1
411H31.6Very low33Very low166 Ų166137.1 Ų137.177%0.76975%0.751SS**  52.5138.8129.2-40.9-48.5000120.1
412S34.3Very low32.9Very low102 Ų102141.8 Ų141.871%0.71376%0.762SS**  cis-142.7-156.616.8-50.90000110.2
413D28.9Very low32.9Very low134 Ų134134.5 Ų134.572%0.71775%0.749SS**  cis-160-171.54.7-135.4-44.2000113
414T32.4Very low33.1Very low119 Ų119134.4 Ų134.473%0.7375%0.746SS**  trans-8.5146.4158.550.50000120
415S38.5Very low33.6Very low111 Ų111131.1 Ų131.178%0.77674%0.743SS**  cis-165.7163.81345.70000113.1
416D39.3Very low33.7Very low166 Ų166132.2 Ų132.289%0.88875%0.745SS**  trans-61.6156.9169.5-67.4-68.4000115
417G32.9Very low34Very low73 Ų73132.3 Ų132.375%0.75375%0.747SS**  trans-177.274.2178.900000116.8
418I34.4Very low34.1Very low151 Ų151130.5 Ų130.577%0.77475%0.745SS**  trans-24.8152.116761171000121.7
419T31.2Very low34.3Very low111 Ų111132.1 Ų132.168%0.68176%0.756SS**  trans69.7125.9141.344.40000124.3
420E36.5Very low34.5Very low163 Ų163132.5 Ų132.576%0.76276%0.756SS**  trans70.3127.4139.4-53.2-669900122.5
421E40.4Very low34.5Very low179 Ų179135 Ų13584%0.83677%0.771SS**  trans24.3116.1147.4-48.1-159.2131.600121.7
422D29.6Very low35Very low159 Ų159132.8 Ų132.885%0.8577%0.772SS**  -156.6155.1107.3-155.8-5.3000110.9
423S32.5Very low35.5Very low98 Ų98132 Ų13269%0.68577%0.766SS**  trans-83.7153174.6-65.40000111.6
424P33.7Very low37Very low110 Ų110134.6 Ų134.671%0.71477%0.766SS**  -137.2127.1116.234.1-23.2000113.8V426P424-V426 PolarHBondContact O-N 3.2Å
425T42Very low38.2Very low136 Ų136132.5 Ų132.583%0.83475%0.747SS**  trans1.485.8151.7-48.20000116.3
426V30.6Very low39.6Very low135 Ų135132.7 Ų132.782%0.81874%0.735SS**  trans-86.1117.1164.6177.70000108.4P424P424-V426 PolarHBondContact O-N 3.2Å
427M34.8Very low40.7Very low146 Ų146127.1 Ų127.172%0.71971%0.713SS**  trans-60.9138.5172-58.7-166.577.600110L429M427-L429 PolarHBondContact O-N 2.83Å
428P31.9Very low42.2Very low125 Ų125127.6 Ų127.681%0.81269%0.694SS**  trans-73.278.6172.330.6-33.9000110.2Q430P428-Q430 PolarHBondContact O-N 3.48Å
429L38.5Very low43.3Very low156 Ų156124.5 Ų124.582%0.81769%0.686SS**  trans-77.161.3163.9-110.9164.3000109.5M427M427-L429 PolarHBondContact O-N 2.83Å
430Q36Very low44.6Very low178 Ų178120 Ų12083%0.83266%0.662SS**  trans-114.4105.2157.3-74.1-167.6-22.300107.4P428P428-Q430 PolarHBondContact O-N 3.48Å
431T34.6Very low46Very low116 Ų116117.5 Ų117.571%0.71266%0.658SS**  trans-46.3138.6164.749.30000109.3S433T431-S433 PolarHBondContact O-N 2.93Å; T431-S433 VanDerWaalsContact O-N 3.09Å
432P41.5Very low47.5Very low120 Ų120110.3 Ų110.378%0.77963%0.626SS**  trans-55.1125.5169.925.5-33.2000107.6R434P432-R434 PolarHBondContact O-N 3.47Å
433S45.3Very low49.3Very low85 Ų85106.6 Ų106.659%0.59461%0.609SS**  trans-56109.4173.6172.60000107.4T431 F435T431-S433 PolarHBondContact O-N 2.93Å; T431-S433 VanDerWaalsContact O-N 3.09Å; S433-F435 PolarHBondContact O-N 3.28Å; S433-F435 PolarHBondContact OG-O 2.8Å
434R60.8Low51Low190 Ų190105.6 Ų105.672%0.71759%0.594SS**SBendtrans-57.3-20.2-180172.6174.9167.7146.10.6112.4D60 P432D60-R434 IonicContact OD2-CZ 3.66Å; D60-R434 IonicContact OD2-NE 2.79Å; D60-R434 PolarHBondContact OD2-NE 3.16Å; D60-R434 IonicContact OD2-NH2 3.73Å; D60-R434 PolarHBondContact OD2-NH2 2.89Å; P432-R434 PolarHBondContact O-N 3.47Å
435F57.6Low52.4Low75 Ų75107.7 Ų107.733%0.32959%0.591SS.*  trans-93.1110.4-179.3-52.3-87.1000110D60 M62 P72 S433D60-F435 HydrophobicContact CB-CD1 3.75Å; D60-F435 HydrophobicContact CB-CE1 3.78Å; M62-F435 HydrophobicContact CG-CB 3.55Å; M62-F435 HydrophobicContact SD-CB 3.62Å; M62-F435 HydrophobicContact SD-CD2 4.45Å; M62-F435 HydrophobicContact SD-CG 3.98Å; P72-F435 HydrophobicContact CB-CD1 4.48Å; P72-F435 HydrophobicContact CB-CE1 4.27Å; S433-F435 PolarHBondContact O-N 3.28Å; S433-F435 PolarHBondContact OG-O 2.8Å
436E66.9Low52.9Low114 Ų114106.9 Ų106.953%0.53358%0.582SS.*EExtended strand (participates in β ladder)trans-78.4144.7167.9-159.4-170.2134.700109.3R49 I61 M62R49-E436 IonicContact CZ-OE1 3.22Å; R49-E436 IonicContact NH1-OE1 3.8Å; R49-E436 PolarHBondContact NH1-OE1 3.02Å; R49-E436 IonicContact NH2-OE1 3.83Å; I61-E436 CarbonylContact C-O 3.58Å; I61-E436 VanDerWaalsContact CA-O 3.28Å; I61-E436 WeakPolarHBondContact CA-O 3.3Å; I61-E436 WeakPolarHBondContact CB-O 3.37Å; M62-E436 PolarHBondContact N-O 3.07Å
437A62.5Low53.7Low50 Ų50102.8 Ų102.841%0.41356%0.558SS.*EExtended strand (participates in β ladder)trans-73.6139.3174.600000110.4S439A437-S439 PolarHBondContact O-N 3.48Å
438F64.3Low53.7Low82 Ų82102.8 Ų102.836%0.3656%0.558SS.*  trans-71103176.3-170.1-94.9000110.7I61 M62 L75I61-F438 HydrophobicContact CD1-CB 4.12Å; I61-F438 HydrophobicContact CD1-CD2 4.02Å; I61-F438 HydrophobicContact CD1-CG 4.39Å; M62-F438 PolarHBondContact O-N 2.92Å; L75-F438 HydrophobicContact CD2-CE2 4.14Å
439S57.3Low54Low86 Ų8699.6 Ų99.660%0.60154%0.537SS*.  trans-113.1146.5176.8-171.40000110.9A437A437-S439 PolarHBondContact O-N 3.48Å
440G58.8Low54.1Low18 Ų1898.8 Ų98.819%0.18654%0.539CS..  trans135.77-179.200000116.2V442G440-V442 PolarHBondContact O-N 3.04Å; G440-V442 VanDerWaalsContact O-N 3.14Å
441T67.6Low54.2Low110 Ų11094.2 Ų94.268%0.67553%0.531SS*.  trans-76.299.9175.3-50.70000111V443T441-V443 HydrophobicContact CG2-CG2 4.06Å
442V71.6Confident54.1Low27 Ų2793.9 Ų93.916%0.16453%0.529CS..  trans-79.7129.5171.1-172.30000109.8V39 D42 Y43 L46 G440V39-V442 HydrophobicContact CG1-CG1 4.27Å; D42-V442 HydrophobicContact CB-CG1 4.25Å; D42-V442 HydrophobicContact CB-CG2 4.06Å; D42-V442 WeakPolarHBondContact O-CG2 3.38Å; Y43-V442 HydrophobicContact CD1-CB 4.3Å; Y43-V442 HydrophobicContact CD1-CG1 4.12Å; Y43-V442 HydrophobicContact CD1-CG2 3.81Å; Y43-V442 HydrophobicContact CD2-CG1 3.96Å; Y43-V442 HydrophobicContact CE1-CB 3.98Å; Y43-V442 HydrophobicContact CE1-CG1 3.84Å; Y43-V442 HydrophobicContact CE1-CG2 3.95Å; Y43-V442 HydrophobicContact CE2-CG1 3.69Å; Y43-V442 HydrophobicContact CG-CG1 4.14Å; Y43-V442 HydrophobicContact CG-CG2 4.26Å; L46-V442 HydrophobicContact CB-CG2 3.95Å; L46-V442 HydrophobicContact CD2-CB 4.5Å; L46-V442 HydrophobicContact CD2-CG2 3.66Å; L46-V442 HydrophobicContact CG-CG2 4.43Å; G440-V442 PolarHBondContact O-N 3.04Å; G440-V442 VanDerWaalsContact O-N 3.14Å
443V66.8Low53.8Low81 Ų8193.4 Ų93.449%0.49153%0.526SS..  trans-118.291.9-178.2178.40000109.3T441 K445T441-V443 HydrophobicContact CG2-CG2 4.06Å; V443-K445 VanDerWaalsContact C-N 3.26Å; V443-K445 HydrophobicContact CG1-CB 4.21Å; V443-K445 HydrophobicContact CG1-CG 3.41Å; V443-K445 VanDerWaalsContact CG1-CG 3.41Å; V443-K445 PolarHBondContact O-N 3.2Å
444E67.8Low53.1Low78 Ų7897.2 Ų97.236%0.36453%0.534SS..  trans-69.383.4168.8-66.7178.6130.600109.2V39 Y43 R105V39-E444 HydrophobicContact CG1-CG 4.36Å; Y43-E444 HydrophobicContact CE2-CG 4.1Å; Y43-E444 WeakPolarHBondContact OH-CG 3.25Å; Y43-E444 PolarHBondContact OH-OE1 2.82Å; Y43-E444 VanDerWaalsContact OH-OE1 3.08Å; Y43-E444 PolarHBondContact OH-OE2 2.9Å; Y43-E444 VanDerWaalsContact OH-OE2 3.14Å; R105-E444 IonicContact CZ-OE2 2.7Å; R105-E444 IonicContact NE-OE2 3.9Å; R105-E444 IonicContact NH1-OE2 2.75Å; R105-E444 PolarHBondContact NH1-OE2 3.02Å
445K64.1Low51.9Low153 Ų15395.6 Ų95.667%0.66554%0.539SS*.  trans-110.2107.9170-77.9-78.4-179.6-175.40108.1H35 V443H35-K445 PolarHBondContact CE1-O 2.91Å; H35-K445 PolarHBondContact NE2-O 2.91Å; V443-K445 VanDerWaalsContact C-N 3.26Å; V443-K445 HydrophobicContact CG1-CB 4.21Å; V443-K445 HydrophobicContact CG1-CG 3.41Å; V443-K445 VanDerWaalsContact CG1-CG 3.41Å; V443-K445 PolarHBondContact O-N 3.2Å
446D52.7Low50.5Low119 Ų11998.1 Ų98.164%0.63656%0.56SS**  trans-49.8126.4172.5-76.1-41.6000110.1M448D446-M448 HydrophobicContact CB-CG 4.39Å; D446-M448 PolarHBondContact O-N 2.9Å
447P45.9Very low49.2Very low49 Ų4999.5 Ų99.532%0.31857%0.57SS.*  trans-73.779.7171.931.6-34.3000108R32 H35 P449R32-P447 HydrophobicContact CG-CG 4.11Å; H35-P447 HydrophobicContact CB-CB 4.47Å; H35-P447 HydrophobicContact CB-CG 4.03Å; P447-P449 WeakPolarHBondContact O-CD 3.4Å
448M35.9Very low47.7Very low147 Ų147103 Ų10372%0.72459%0.586SS**  trans-74.6108.8172.3-85.5-77.3-75.200109.9D446 T450D446-M448 HydrophobicContact CB-CG 4.39Å; D446-M448 PolarHBondContact O-N 2.9Å; M448-T450 PolarHBondContact O-N 2.73Å
449P37.6Very low46.5Very low57 Ų57104.1 Ų104.137%0.3760%0.601SS.*  trans-70112156.229.9-32.4000107.9P447 A451P447-P449 WeakPolarHBondContact O-CD 3.4Å; P449-A451 PolarHBondContact O-N 3.08Å
450T41.5Very low45.6Very low140 Ų140105.9 Ų105.986%0.85961%0.611SS**SBendtrans-71.669.4173.5-53.30000110.5M448M448-T450 PolarHBondContact O-N 2.73Å
451A37.7Very low44.4Very low81 Ų81109.8 Ų109.867%0.66964%0.642SS**  trans-161.254.4176.900000112.2P449 P453P449-A451 PolarHBondContact O-N 3.08Å; A451-P453 VanDerWaalsContact O-CD 3.3Å; A451-P453 WeakPolarHBondContact O-CD 3.49Å
452V33.2Very low42.9Very low109 Ų109112.4 Ų112.466%0.66165%0.65SS**  trans-81.1115159-177.70000107.2H454V452-H454 PolarHBondContact O-N 3.35Å
453P33.6Very low41.2Very low110 Ų110116.6 Ų116.671%0.71468%0.678SS**  trans-68.2103169.128.1-31.9000108.1A451 L455A451-P453 VanDerWaalsContact O-CD 3.3Å; A451-P453 WeakPolarHBondContact O-CD 3.49Å; P453-L455 PolarHBondContact O-N 3.27Å
454H30.8Very low39.5Very low165 Ų165119.6 Ų119.676%0.76470%0.697SS**  trans-62.499.8168.9-73.1-63.5000108.9V452 T456V452-H454 PolarHBondContact O-N 3.35Å; H454-T456 VanDerWaalsContact C-N 3.29Å; H454-T456 PolarHBondContact O-N 2.8Å
455L35.3Very low38Very low156 Ų156123.9 Ų123.982%0.81772%0.721SS**  trans-66.593.8164.3-71.3174.3000108P453 I457P453-L455 PolarHBondContact O-N 3.27Å; L455-I457 VanDerWaalsContact C-N 3.25Å; L455-I457 PolarHBondContact O-N 3.26Å
456T29.6Very low36.4Very low128 Ų128124 Ų12479%0.78573%0.728SS**  trans-67.982.7172.846.30000110.2H454 V458H454-T456 VanDerWaalsContact C-N 3.29Å; H454-T456 PolarHBondContact O-N 2.8Å; T456-V458 PolarHBondContact O-N 3.02Å
457I38.5Very low35.5Very low144 Ų144127.1 Ų127.174%0.73874%0.739SS**  trans-87.2102.3163-58.7178.1000106.8L455 P459L455-I457 VanDerWaalsContact C-N 3.25Å; L455-I457 PolarHBondContact O-N 3.26Å; I457-P459 WeakPolarHBondContact O-CD 3.33Å
458V31.8Very low34.9Very low122 Ų122136.1 Ų136.174%0.73977%0.766SS**PPolyproline II helixtrans-64.2123.5172.2175.70000108.4T456T456-V458 PolarHBondContact O-N 3.02Å
459P38.1Very low34.8Very low106 Ų106138.6 Ų138.669%0.68877%0.773SS**PPolyproline II helixtrans-72.1135.5176.128.9-33.1000110.3I457I457-P459 WeakPolarHBondContact O-CD 3.33Å
460P38.8Very low34.5Very low123 Ų123144.1 Ų144.180%0.79979%0.794SS**PPolyproline II helixtrans-66.8137.9174.227.7-33.5000110.7L462P460-L462 PolarHBondContact O-N 3.1Å
461A34.3Very low33.9Very low101 Ų101145.9 Ų145.984%0.83579%0.792SS**PPolyproline II helixtrans-64.2132.2-177.700000112.2
462L34.8Very low33.6Very low164 Ų164150.8 Ų150.886%0.85980%0.802SS**PPolyproline II helixtrans-78.8136.6174.2-70.7168.1000110.7P460P460-L462 PolarHBondContact O-N 3.1Å
463P36.1Very low33.4Very low115 Ų115152.5 Ų152.575%0.74781%0.812SS**PPolyproline II helixtrans-72.7135.9175.529-33.3000111.9
464T32.5Very low33.2Very low145 Ų145151.4 Ų151.489%0.8981%0.812SS**PPolyproline II helixtrans-60.7132.2174.936.10000112.7
465I35.5Very low33.8Very low168 Ų168149 Ų14986%0.86281%0.811SS**PPolyproline II helixtrans-98.2130.3173.2-60.8176000109.2
466L31.2Very low33.5Very low154 Ų154148.9 Ų148.981%0.80681%0.811SS**PPolyproline II helixtrans-78.4138.7177.5-104.1161.7000111.8
467E32.1Very low33.6Very low186 Ų186148.5 Ų148.587%0.86981%0.809SS**PPolyproline II helixtrans-61.1142.8172.6-66.8-172.5115.100112.3
468R33.2Very low33.6Very low237 Ų237147.3 Ų147.389%0.89481%0.81SS**  trans-133131.4157.4-77-168179.286.6-2.4109.8
469K34.4Very low33.7Very low200 Ų200149.4 Ų149.487%0.8782%0.816SS**  trans-91.2139.5166.5-67.6-176.4174.4-175.10109.9
470Q31.1Very low33.8Very low173 Ų173149.7 Ų149.781%0.80882%0.818SS**  trans178.4122.3145.5-100.9168.9-36.800105.9
471E29.7Very low33.5Very low177 Ų177153.5 Ų153.583%0.82783%0.825SS**  106.4140.658.2-173.1166-164.400109.4
472E31.2Very low33.6Very low184 Ų184158 Ų15886%0.8683%0.829SS**  trans-107.9118-154.8172.3-170.8-176.500111.5
473V28.4Very low33.7Very low144 Ų144154.9 Ų154.987%0.87383%0.827SS**  trans-148.3132.3162.5-173.70000111.6
474A29.3Very low34.1Very low87 Ų87155.3 Ų155.372%0.71983%0.83SS**  trans-131.8176.3157.900000106.8
475P44.5Very low35Very low115 Ų115158 Ų15875%0.74783%0.829SS**  cis-134.5-167.16.643-24.3000113.6
476D27.6Very low35.5Very low154 Ų154162 Ų16282%0.82483%0.833SS**  -173.4167.4111.3-135.6-24.8000113.9
477V33.1Very low37Very low120 Ų120159.9 Ų159.973%0.72783%0.826SS**  trans-140143.3-174172.40000112.5
478P38Very low38.7Very low119 Ų119154.6 Ų154.677%0.77381%0.81SS**  trans-144.5124.7140.831.3-12.6000117.4
479L33.6Very low40.2Very low166 Ų166151.9 Ų151.987%0.86981%0.805SS**  trans44.1159.9132.1-67166.5000124.4
480P40.2Very low41.5Very low112 Ų112150.7 Ų150.773%0.72780%0.8SS**  trans-121.9169.5-155.143.5-31.5000117.4
481E32.7Very low43Very low202 Ų202148.6 Ų148.694%0.94479%0.788SS**  trans-129.2173169.7-80.2-162.3146.700114.8
482Q36Very low44.7Very low196 Ų196141.7 Ų141.792%0.91676%0.762SS**PPolyproline II helixtrans-79.8168.1-156.8-67.4-178-6.400117.5
483A37.1Very low46.4Very low99 Ų99135.5 Ų135.582%0.81874%0.741SS**PPolyproline II helixtrans-97.2139.6-175.600000114.6
484P43.8Very low48.2Very low123 Ų123136.6 Ų136.680%0.79973%0.73SS**PPolyproline II helixtrans-96.9162.317836.6-34.5000115.1
485K51.8Low49.7Very low203 Ų203139.1 Ų139.188%0.88373%0.731SS**PPolyproline II helixtrans-73.7153.7-178.1-63.5174.3180177.10112.8
486R47.3Very low50.4Low250 Ų250141.9 Ų141.994%0.94373%0.734SS**PPolyproline II helixtrans-83127.4-174.2-66.2171.266.3175.1-1.6112.1
487V62Low51.7Low110 Ų110142.8 Ų142.867%0.66773%0.733SS**  trans-125.4156.9168-72.30000110A492V487-A492 HydrophobicContact CG2-CB 3.99Å
488S67.9Low52.1Low75 Ų75149.5 Ų149.552%0.52475%0.752SS.*  trans-61.3137.5178-177.90000111.5F490 K491 A492S488-F490 VanDerWaalsContact C-N 3.29Å; S488-F490 PolarHBondContact O-N 2.87Å; S488-K491 PolarHBondContact O-N 3.19Å; S488-K491 VanDerWaalsContact O-N 3.16Å; S488-A492 PolarHBondContact O-N 3.46Å
489K64.8Low52.8Low181 Ų181151 Ų15179%0.78775%0.751SS**Hα-helixtrans-59.1-35-169.7-76.3-177.9176.1176.70113.8A493K489-A493 PolarHBondContact O-N 3.3Å
490F60.6Low53.8Low175 Ų175150.2 Ų150.277%0.76875%0.745SS**Hα-helixtrans-72.6-42.1179.2-66.8-82.7000111.8S488 A492 A493 R494S488-F490 VanDerWaalsContact C-N 3.29Å; S488-F490 PolarHBondContact O-N 2.87Å; F490-A492 VanDerWaalsContact C-N 3.3Å; F490-A492 PolarHBondContact O-N 3.27Å; F490-A493 PolarHBondContact O-N 3.11Å; F490-R494 PolarHBondContact O-N 3.37Å
491K62.9Low54.6Low129 Ų129152.3 Ų152.356%0.56175%0.746SS**Hα-helixtrans-64.6-35.1175.8-150.1160.3-167153.50111.8E211 S488 L495E211-K491 IonicContact OE2-NZ 2.71Å; S488-K491 PolarHBondContact O-N 3.19Å; S488-K491 VanDerWaalsContact O-N 3.16Å; K491-L495 PolarHBondContact O-N 3.46Å
492A66.6Low55.9Low32 Ų32149.4 Ų149.426%0.26473%0.734SS.*Hα-helixtrans-64.4-38.7173.400000113.2V487 S488 F490 L495V487-A492 HydrophobicContact CG2-CB 3.99Å; S488-A492 PolarHBondContact O-N 3.46Å; F490-A492 VanDerWaalsContact C-N 3.3Å; F490-A492 PolarHBondContact O-N 3.27Å; A492-L495 PolarHBondContact O-N 3.18Å
493A66.5Low57.1Low53 Ų53146.5 Ų146.544%0.43872%0.723SS.*Hα-helixtrans-67.5-42.3178.100000112.1K489 F490 L495 Q496K489-A493 PolarHBondContact O-N 3.3Å; F490-A493 PolarHBondContact O-N 3.11Å; A493-L495 VanDerWaalsContact C-N 3.29Å; A493-L495 PolarHBondContact O-N 3.04Å; A493-Q496 PolarHBondContact O-N 3.15Å; A493-Q496 VanDerWaalsContact O-N 3.12Å
494R65.8Low58.4Low167 Ų167149.7 Ų149.763%0.6372%0.717SS**Hα-helixtrans-63.8-32.2177.5-166.1174.8-176.4-178.41.8112.8F490 Q496 Q497F490-R494 PolarHBondContact O-N 3.37Å; R494-Q496 PolarHBondContact O-N 3.29Å; R494-Q497 PolarHBondContact O-N 3.32Å
495L61.9Low59.5Low141 Ų141151.6 Ų151.674%0.73871%0.711SS**THydrogen-bonded Turntrans-69.6-18.8175.8-120.997.5000113.9K491 A492 A493K491-L495 PolarHBondContact O-N 3.46Å; A492-L495 PolarHBondContact O-N 3.18Å; A493-L495 VanDerWaalsContact C-N 3.29Å; A493-L495 PolarHBondContact O-N 3.04Å
496Q58.9Low60.1Low172 Ų172147.6 Ų147.680%0.80470%0.698SS**THydrogen-bonded Turntrans-90.5-1.1178.6-66.5-179.92.500113.3A493 R494A493-Q496 PolarHBondContact O-N 3.15Å; A493-Q496 VanDerWaalsContact O-N 3.12Å; R494-Q496 PolarHBondContact O-N 3.29Å
497Q54.2Low61.1Low173 Ų173139.1 Ų139.181%0.80868%0.677SS**  trans-110.832.9179.5-67.9-173.2-43.600112.5R494R494-Q497 PolarHBondContact O-N 3.32Å
498K41.8Very low61.1Low261 Ų261141.7 Ų141.7100%1.13568%0.678SS**  trans-129.10179.3-136.4-174.3-173.1-174.10112

Retrieved 498 of 498 residues in 545.1 ms (Link to these results)

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