A0A3Q0KV73_SCHMA Loading...

Adapter-related protein complex 3, beta subunit

AlphaFold DB , UniProt , Accession A0A3Q0KV73, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 606 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
1M24.6Very low64.1Low245 Ų24592.6 Ų92.6100%1.20750%0.498SS*.  089.70-88.6175.1157.500108.2T3M1-T3 PolarHBondContact O-N 3.12Å
2M34.5Very low66.4Low190 Ų19093 Ų9394%0.93650%0.499SS*.  trans-71.6121.5167.4-82-177172.300107.4K4M2-K4 PolarHBondContact O-N 3.43Å
3T45.2Very low68.5Low133 Ų13388.1 Ų88.182%0.81647%0.471SS*.  trans-60.7105.2168.446.60000107.3M1 K5M1-T3 PolarHBondContact O-N 3.12Å; T3-K5 PolarHBondContact O-N 3.36Å
4K49.5Very low70.2Confident141 Ų14181.8 Ų81.861%0.61344%0.438SS*.PPolyproline II helixtrans-51.8116.4172.3-83.3-174.7168.7-169.90107.1M2 S6 D55M2-K4 PolarHBondContact O-N 3.43Å; K4-S6 PolarHBondContact O-N 3.01Å; K4-D55 IonicContact NZ-OD1 2.69Å; K4-D55 PolarHBondContact NZ-OD1 3.31Å
5K61.7Low71.9Confident110 Ų11082.9 Ų82.948%0.47844%0.437SS..PPolyproline II helixtrans-63.7126.4173.7-82.4-166.8173.1-161.30107.1T3 V10 E13 A57T3-K5 PolarHBondContact O-N 3.36Å; K5-V10 HydrophobicContact CB-CG2 4.48Å; K5-E13 IonicContact NZ-OE1 2.62Å; K5-E13 PolarHBondContact NZ-OE1 2.65Å; K5-E13 IonicContact NZ-OE2 2.69Å; K5-E13 PolarHBondContact NZ-OE2 3.03Å; K5-A57 WeakPolarHBondContact O-CB 3.47Å
6S73.5Confident73.4Confident53 Ų5384.6 Ų84.637%0.37144%0.442SS..PPolyproline II helixtrans-66.2142.5170.2177.70000109.5K4 A8 S9 V10 D54K4-S6 PolarHBondContact O-N 3.01Å; S6-A8 PolarHBondContact O-N 2.69Å; S6-A8 VanDerWaalsContact O-N 3.17Å; S6-S9 VanDerWaalsContact O-CB 3.25Å; S6-S9 WeakPolarHBondContact O-CB 3.49Å; S6-S9 PolarHBondContact O-N 3.44Å; S6-V10 PolarHBondContact O-N 2.65Å; S6-D54 WeakPolarHBondContact CA-OD1 3.22Å; S6-D54 PolarHBondContact OG-OD1 2.72Å
7S74.4Confident74.6Confident10 Ų1080.4 Ų80.47%0.0742%0.42CS..Hα-helixtrans-52.2-33.4174.565.60000113.9S9 V10 I11 V53 D54S7-S9 PolarHBondContact O-N 3.45Å; S7-V10 CarbonylContact O-C 3.57Å; S7-V10 WeakPolarHBondContact O-CA 3.34Å; S7-V10 WeakPolarHBondContact O-CB 3.34Å; S7-V10 PolarHBondContact O-N 3.41Å; S7-I11 WeakPolarHBondContact O-CG1 3.04Å; S7-I11 PolarHBondContact O-N 3.04Å; S7-V53 WeakPolarHBondContact OG-CG1 3.32Å; S7-D54 PolarHBondContact N-OD1 3.19Å
8A81.7Confident75.9Confident61 Ų6176.3 Ų76.350%0.50440%0.399SS..Hα-helixtrans-62.3-36.5-179.200000110.2S6 L12S6-A8 PolarHBondContact O-N 2.69Å; S6-A8 VanDerWaalsContact O-N 3.17Å; A8-L12 WeakPolarHBondContact O-CB 3.38Å; A8-L12 PolarHBondContact O-N 3.33Å; A8-L12 VanDerWaalsContact O-N 3.11Å
9S85.4Confident76.9Confident51 Ų5178.3 Ų78.336%0.35741%0.41SS..Hα-helixtrans-65.1-42.3171.4-1710000111.3S6 S7 E13S6-S9 VanDerWaalsContact O-CB 3.25Å; S6-S9 WeakPolarHBondContact O-CB 3.49Å; S6-S9 PolarHBondContact O-N 3.44Å; S7-S9 PolarHBondContact O-N 3.45Å; S9-E13 WeakPolarHBondContact O-CB 3.28Å; S9-E13 VanDerWaalsContact O-CG 3.3Å; S9-E13 WeakPolarHBondContact O-CG 3.25Å; S9-E13 PolarHBondContact O-N 2.67Å; S9-E13 PolarHBondContact OG-OE1 2.87Å
10V85.9Confident77.9Confident3 Ų378.8 Ų78.82%0.01841%0.41CS..Hα-helixtrans-65-45.3179.5175.80000111.5K5 S6 S7 E13 L14 F45 A57 S60 L62K5-V10 HydrophobicContact CB-CG2 4.48Å; S6-V10 PolarHBondContact O-N 2.65Å; S7-V10 CarbonylContact O-C 3.57Å; S7-V10 WeakPolarHBondContact O-CA 3.34Å; S7-V10 WeakPolarHBondContact O-CB 3.34Å; S7-V10 PolarHBondContact O-N 3.41Å; V10-E13 PolarHBondContact O-N 2.96Å; V10-L14 HydrophobicContact CG1-CD1 3.92Å; V10-L14 HydrophobicContact CG1-CG 4.38Å; V10-L14 WeakPolarHBondContact O-CB 3.36Å; V10-L14 VanDerWaalsContact O-CG 3.31Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.25Å; V10-F45 HydrophobicContact CG1-CD2 4.03Å; V10-F45 HydrophobicContact CG1-CE2 3.86Å; V10-A57 HydrophobicContact CG2-CB 4.04Å; V10-S60 VanDerWaalsContact CG1-OG 3.32Å; V10-S60 WeakPolarHBondContact CG1-OG 3.42Å; V10-L62 HydrophobicContact CG1-CB 4.45Å; V10-L62 HydrophobicContact CG1-CD2 4.17Å
11I88.5Confident78.7Confident22 Ų2275 Ų7511%0.11339%0.39CS..Hα-helixtrans-60.7-46.8177.8-67.9157.6000110.5S7 L14 K15 F45 E46S7-I11 WeakPolarHBondContact O-CG1 3.04Å; S7-I11 PolarHBondContact O-N 3.04Å; I11-L14 PolarHBondContact O-N 2.94Å; I11-K15 HydrophobicContact CG2-CD 4.35Å; I11-K15 WeakPolarHBondContact O-CG 3.41Å; I11-K15 PolarHBondContact O-N 3.4Å; I11-K15 VanDerWaalsContact O-N 3.08Å; I11-F45 HydrophobicContact CD1-CB 3.84Å; I11-F45 HydrophobicContact CG1-CB 3.62Å; I11-E46 HydrophobicContact CD1-CG 3.77Å; I11-E46 HydrophobicContact CG1-CG 4.21Å; I11-E46 HydrophobicContact CG2-CG 3.93Å
12L92.1Very high82.1Confident97 Ų9766.5 Ų66.551%0.50835%0.349SS..Hα-helixtrans-60.8-49.6178.4-177.664000111.1A8 L14 K15 E16A8-L12 WeakPolarHBondContact O-CB 3.38Å; A8-L12 PolarHBondContact O-N 3.33Å; A8-L12 VanDerWaalsContact O-N 3.11Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.23Å; L12-K15 PolarHBondContact O-N 3.39Å; L12-E16 WeakPolarHBondContact O-CG 3.35Å; L12-E16 PolarHBondContact O-N 3.39Å
13E93.2Very high84.9Confident29 Ų2966.3 Ų66.314%0.13634%0.344CS..Hα-helixtrans-63-34.7178.9-74.5-176.4-117.200112.6K5 S9 V10 L17 L62 K66K5-E13 IonicContact NZ-OE1 2.62Å; K5-E13 PolarHBondContact NZ-OE1 2.65Å; K5-E13 IonicContact NZ-OE2 2.69Å; K5-E13 PolarHBondContact NZ-OE2 3.03Å; S9-E13 WeakPolarHBondContact O-CB 3.28Å; S9-E13 VanDerWaalsContact O-CG 3.3Å; S9-E13 WeakPolarHBondContact O-CG 3.25Å; S9-E13 PolarHBondContact O-N 2.67Å; S9-E13 PolarHBondContact OG-OE1 2.87Å; V10-E13 PolarHBondContact O-N 2.96Å; E13-L17 WeakPolarHBondContact O-CB 3.11Å; E13-L17 PolarHBondContact O-N 3Å; E13-L62 HydrophobicContact CB-CD1 4.03Å; E13-L62 HydrophobicContact CB-CD2 3.47Å; E13-L62 VanDerWaalsContact CB-CD2 3.47Å; E13-L62 HydrophobicContact CB-CG 4.37Å; E13-L62 HydrophobicContact CG-CD2 4.26Å; E13-K66 IonicContact OE2-NZ 3.68Å; E13-K66 PolarHBondContact OE2-NZ 3.48Å
14L93.2Very high87.2Confident0 Ų062.6 Ų62.60%032%0.321CS..Hα-helixtrans-65.7-41.4174.8-79.1169000111.8V10 I11 L12 L17 V18 C38 E41 A42 F45 L62 F65V10-L14 HydrophobicContact CG1-CD1 3.92Å; V10-L14 HydrophobicContact CG1-CG 4.38Å; V10-L14 WeakPolarHBondContact O-CB 3.36Å; V10-L14 VanDerWaalsContact O-CG 3.31Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.25Å; I11-L14 PolarHBondContact O-N 2.94Å; L12-L14 VanDerWaalsContact C-N 3.31Å; L12-L14 PolarHBondContact O-N 3.23Å; L14-L17 PolarHBondContact O-N 2.83Å; L14-V18 WeakPolarHBondContact O-CG2 2.67Å; L14-V18 PolarHBondContact O-N 2.76Å; L14-V18 VanDerWaalsContact O-N 3.09Å; L14-C38 HydrophobicContact CD2-CB 4.35Å; L14-E41 HydrophobicContact CD1-CB 4.22Å; L14-E41 HydrophobicContact CD1-CG 4.08Å; L14-A42 HydrophobicContact CB-CB 3.96Å; L14-A42 HydrophobicContact CD1-CB 4.06Å; L14-F45 HydrophobicContact CD1-CD2 4.2Å; L14-F45 HydrophobicContact CD1-CE2 4.46Å; L14-L62 HydrophobicContact CD2-CB 3.85Å; L14-L62 HydrophobicContact CD2-CD1 3.74Å; L14-L62 HydrophobicContact CD2-CG 4.38Å; L14-L62 HydrophobicContact CG-CB 4.14Å; L14-L62 HydrophobicContact CG-CD1 3.95Å; L14-L62 HydrophobicContact CG-CG 4.47Å; L14-F65 HydrophobicContact CD2-CD2 3.64Å; L14-F65 HydrophobicContact CD2-CE2 3.91Å
15K94.8Very high89.2Confident99 Ų9956.1 Ų56.143%0.4329%0.293SS..Hα-helixtrans-66.4-46.1176.8-71.5178.5-179.3178.30111.5I11 L12 L17 V18 D19 E46I11-K15 HydrophobicContact CG2-CD 4.35Å; I11-K15 WeakPolarHBondContact O-CG 3.41Å; I11-K15 PolarHBondContact O-N 3.4Å; I11-K15 VanDerWaalsContact O-N 3.08Å; L12-K15 PolarHBondContact O-N 3.39Å; K15-L17 VanDerWaalsContact C-N 3.27Å; K15-L17 PolarHBondContact O-N 3.35Å; K15-V18 WeakPolarHBondContact O-CB 3.43Å; K15-V18 PolarHBondContact O-N 2.87Å; K15-D19 PolarHBondContact O-N 3.28Å; K15-E46 WeakPolarHBondContact CE-OE1 3.43Å; K15-E46 IonicContact NZ-OE1 2.8Å; K15-E46 PolarHBondContact NZ-OE1 3.43Å
16E96.1Very high90.3Very high110 Ų11052.6 Ų52.651%0.51428%0.281SS..Hα-helixtrans-59.9-38.2175-70.6176.717200112.1L12 D19 H20L12-E16 WeakPolarHBondContact O-CG 3.35Å; L12-E16 PolarHBondContact O-N 3.39Å; E16-D19 PolarHBondContact O-N 3.07Å; E16-H20 PolarHBondContact O-N 3.27Å
17L94.6Very high91Very high12 Ų1256.6 Ų56.66%0.06330%0.298CS..Hα-helixtrans-66.6-38.2177.6-176.561.7000112.4E13 L14 K15 D19 H20 I21 L62 F65 K66 T69E13-L17 WeakPolarHBondContact O-CB 3.11Å; E13-L17 PolarHBondContact O-N 3Å; L14-L17 PolarHBondContact O-N 2.83Å; K15-L17 VanDerWaalsContact C-N 3.27Å; K15-L17 PolarHBondContact O-N 3.35Å; L17-D19 VanDerWaalsContact C-N 3.32Å; L17-D19 PolarHBondContact O-N 3.44Å; L17-H20 PolarHBondContact O-N 3.29Å; L17-I21 HydrophobicContact CD1-CD1 4.38Å; L17-I21 HydrophobicContact CD1-CG1 4.39Å; L17-I21 HydrophobicContact CG-CD1 3.89Å; L17-I21 HydrophobicContact CG-CG1 4.4Å; L17-I21 WeakPolarHBondContact O-CB 3.31Å; L17-I21 WeakPolarHBondContact O-CD1 3.01Å; L17-I21 VanDerWaalsContact O-CG1 3.25Å; L17-I21 WeakPolarHBondContact O-CG1 3.46Å; L17-I21 PolarHBondContact O-N 2.8Å; L17-L62 HydrophobicContact CD2-CD1 3.95Å; L17-F65 HydrophobicContact CD2-CB 3.33Å; L17-F65 HydrophobicContact CD2-CG 4.49Å; L17-K66 HydrophobicContact CD1-CG 4.03Å; L17-K66 HydrophobicContact CD2-CG 3.81Å; L17-T69 HydrophobicContact CD1-CG2 4.16Å
18V96.5Very high91.5Very high8 Ų856.9 Ų56.95%0.04830%0.299CS..Hα-helixtrans-58.6-46.1174.1164.30000111L14 K15 H20 I21 N22 V35 C38 Q39L14-V18 WeakPolarHBondContact O-CG2 2.67Å; L14-V18 PolarHBondContact O-N 2.76Å; L14-V18 VanDerWaalsContact O-N 3.09Å; K15-V18 WeakPolarHBondContact O-CB 3.43Å; K15-V18 PolarHBondContact O-N 2.87Å; V18-H20 VanDerWaalsContact C-N 3.33Å; V18-H20 PolarHBondContact O-N 3.23Å; V18-I21 PolarHBondContact O-N 3.39Å; V18-N22 PolarHBondContact O-N 3.21Å; V18-N22 PolarHBondContact O-ND2 3.41Å; V18-V35 HydrophobicContact CG1-CG1 3.91Å; V18-C38 HydrophobicContact CG2-CB 3.41Å; V18-C38 VanDerWaalsContact CG2-CB 3.41Å; V18-Q39 HydrophobicContact CG1-CG 4.15Å; V18-Q39 HydrophobicContact CG2-CG 3.76Å
19D96.1Very high91.6Very high114 Ų11457.9 Ų57.961%0.6130%0.301SS*.Hα-helixtrans-64.1-40.9178.1-69.3-20.8000111.2K15 E16 L17 N22 K23K15-D19 PolarHBondContact O-N 3.28Å; E16-D19 PolarHBondContact O-N 3.07Å; L17-D19 VanDerWaalsContact C-N 3.32Å; L17-D19 PolarHBondContact O-N 3.44Å; D19-N22 PolarHBondContact O-N 2.93Å; D19-K23 WeakPolarHBondContact O-CB 3.1Å; D19-K23 PolarHBondContact O-N 2.69Å; D19-K23 VanDerWaalsContact O-N 3.13Å
20H96.2Very high91.6Very high88 Ų8856.7 Ų56.741%0.40730%0.296SS..Hα-helixtrans-61.8-50.4175.7-170.980.8000112.1E16 L17 V18 N22 K23 T24 N73E16-H20 PolarHBondContact O-N 3.27Å; L17-H20 PolarHBondContact O-N 3.29Å; V18-H20 VanDerWaalsContact C-N 3.33Å; V18-H20 PolarHBondContact O-N 3.23Å; H20-N22 VanDerWaalsContact C-N 3.28Å; H20-N22 PolarHBondContact O-N 3.42Å; H20-K23 PolarHBondContact O-N 3.3Å; H20-T24 PolarHBondContact O-N 3.38Å; H20-T24 PolarHBondContact O-OG1 3.32Å; H20-N73 PolarHBondContact NE2-ND2 3.31Å; H20-N73 VanDerWaalsContact NE2-ND2 3.15Å
21I95Very high91.8Very high0 Ų057.3 Ų57.30%030%0.299CS..Hα-helixtrans-54.7-46.1177.2-72.2158.8000111.1L17 V18 K23 I25 K31 L34 V35 T69L17-I21 HydrophobicContact CD1-CD1 4.38Å; L17-I21 HydrophobicContact CD1-CG1 4.39Å; L17-I21 HydrophobicContact CG-CD1 3.89Å; L17-I21 HydrophobicContact CG-CG1 4.4Å; L17-I21 WeakPolarHBondContact O-CB 3.31Å; L17-I21 WeakPolarHBondContact O-CD1 3.01Å; L17-I21 VanDerWaalsContact O-CG1 3.25Å; L17-I21 WeakPolarHBondContact O-CG1 3.46Å; L17-I21 PolarHBondContact O-N 2.8Å; V18-I21 PolarHBondContact O-N 3.39Å; I21-K23 PolarHBondContact O-N 3.04Å; I21-I25 HydrophobicContact CB-CD1 4.46Å; I21-I25 HydrophobicContact CG1-CD1 4.3Å; I21-I25 HydrophobicContact CG2-CD1 3.92Å; I21-I25 HydrophobicContact CG2-CG1 4.43Å; I21-I25 PolarHBondContact O-N 3.17Å; I21-K31 HydrophobicContact CG2-CG 4.33Å; I21-K31 VanDerWaalsContact O-CE 3.27Å; I21-K31 WeakPolarHBondContact O-CE 3.34Å; I21-K31 PolarHBondContact O-NZ 3.36Å; I21-L34 HydrophobicContact CD1-CD2 3.83Å; I21-L34 HydrophobicContact CD1-CG 3.82Å; I21-L34 HydrophobicContact CG1-CD2 4.13Å; I21-L34 HydrophobicContact CG2-CD2 4.3Å; I21-V35 HydrophobicContact CB-CG2 4.24Å; I21-V35 HydrophobicContact CG2-CG2 3.45Å; I21-V35 VanDerWaalsContact CG2-CG2 3.45Å; I21-T69 HydrophobicContact CG1-CG2 3.64Å; I21-T69 WeakPolarHBondContact CG1-OG1 3.38Å
22N95.6Very high91.8Very high65 Ų6560.2 Ų60.235%0.34831%0.312SS..Hα-helixtrans-61.6-36.9-179.4-81.4-40.2000111.8V18 D19 H20 K31V18-N22 PolarHBondContact O-N 3.21Å; V18-N22 PolarHBondContact O-ND2 3.41Å; D19-N22 PolarHBondContact O-N 2.93Å; H20-N22 VanDerWaalsContact C-N 3.28Å; H20-N22 PolarHBondContact O-N 3.42Å; N22-K31 PolarHBondContact O-NZ 2.96Å
23K94.5Very high91.6Very high187 Ų18761.1 Ų61.181%0.81331%0.309SS*.Hα-helixtrans-79.3-36-178.7-171.1175.9179.7179.70114.2D19 H20 I21D19-K23 WeakPolarHBondContact O-CB 3.1Å; D19-K23 PolarHBondContact O-N 2.69Å; D19-K23 VanDerWaalsContact O-N 3.13Å; H20-K23 PolarHBondContact O-N 3.3Å; I21-K23 PolarHBondContact O-N 3.04Å
24T93Very high91.3Very high55 Ų5559.7 Ų59.734%0.33730%0.302SS..Hα-helixtrans-107.5-34.2-165.8640000115.4H20 N73H20-T24 PolarHBondContact O-N 3.38Å; H20-T24 PolarHBondContact O-OG1 3.32Å; T24-N73 WeakPolarHBondContact CB-OD1 3.47Å; T24-N73 VanDerWaalsContact OG1-CG 3.25Å; T24-N73 PolarHBondContact OG1-ND2 3.01Å; T24-N73 PolarHBondContact OG1-OD1 3.25Å
25I90.6Very high91.3Very high5 Ų559.9 Ų59.93%0.02630%0.303CS..SBendtrans-80.3134.2-178.2-57.6-174.5000109.5I21 K31 L34 T69 A72 N73 L79I21-I25 HydrophobicContact CB-CD1 4.46Å; I21-I25 HydrophobicContact CG1-CD1 4.3Å; I21-I25 HydrophobicContact CG2-CD1 3.92Å; I21-I25 HydrophobicContact CG2-CG1 4.43Å; I21-I25 PolarHBondContact O-N 3.17Å; I25-K31 HydrophobicContact CB-CD 4.19Å; I25-K31 HydrophobicContact CG2-CD 4.2Å; I25-K31 HydrophobicContact CG2-CG 4.31Å; I25-K31 WeakPolarHBondContact O-CE 3.27Å; I25-K31 PolarHBondContact O-NZ 2.83Å; I25-L34 HydrophobicContact CD1-CD2 4.07Å; I25-T69 HydrophobicContact CD1-CG2 4.15Å; I25-T69 HydrophobicContact CG1-CG2 4.47Å; I25-A72 HydrophobicContact CD1-CB 3.61Å; I25-A72 HydrophobicContact CG1-CB 3.96Å; I25-A72 HydrophobicContact CG2-CB 4.16Å; I25-N73 WeakPolarHBondContact CG1-OD1 3.45Å; I25-L79 HydrophobicContact CG2-CD2 4.08Å
26P85.9Confident91Very high35 Ų3562.7 Ų62.723%0.22731%0.311CS..  trans-60.8158.5173.826.1-35.4000112.1V28 K31 G76 L79P26-V28 HydrophobicContact CB-CG1 4.38Å; P26-V28 HydrophobicContact CG-CG1 4.09Å; P26-V28 PolarHBondContact O-N 3.28Å; P26-K31 WeakPolarHBondContact O-CD 3.27Å; P26-G76 WeakPolarHBondContact CG-O 3.42Å; P26-L79 HydrophobicContact CG-CB 4.38Å; P26-L79 HydrophobicContact CG-CD2 4.44Å
27N88.8Confident90.6Very high137 Ų13759.2 Ų59.273%0.73330%0.295SS*.SBendtrans-76.771.6-179-169.442.4000112.2
28V84.9Confident90.4Very high16 Ų1658.6 Ų58.610%0.09729%0.292CS..  trans-93.3155.6175.7-62.10000110.9P26 G30 K31 L79 L82P26-V28 HydrophobicContact CB-CG1 4.38Å; P26-V28 HydrophobicContact CG-CG1 4.09Å; P26-V28 PolarHBondContact O-N 3.28Å; V28-G30 PolarHBondContact O-N 3.49Å; V28-K31 HydrophobicContact CG2-CB 4.39Å; V28-K31 WeakPolarHBondContact O-CB 3.37Å; V28-K31 PolarHBondContact O-N 3.41Å; V28-L79 HydrophobicContact CG1-CB 4.47Å; V28-L79 HydrophobicContact CG1-CD2 4.45Å; V28-L79 HydrophobicContact CG1-CG 4.2Å; V28-L79 WeakPolarHBondContact CG1-O 3.19Å; V28-L79 HydrophobicContact CG2-CD2 3.76Å; V28-L79 HydrophobicContact CG2-CG 4.1Å; V28-L82 HydrophobicContact CG2-CB 4.29Å
29P82.6Confident90.2Very high83 Ų8362.6 Ų62.654%0.53931%0.31SS..THydrogen-bonded Turntrans-49.6135.9168.6-22.933.4000110.7K31 V80 D81 L82P29-K31 PolarHBondContact O-N 3.16Å; P29-V80 WeakPolarHBondContact CD-O 3.22Å; P29-D81 WeakPolarHBondContact CB-OD1 3.45Å; P29-D81 VanDerWaalsContact O-OD1 3.09Å; P29-L82 PolarHBondContact O-N 3.3Å
30G84.8Confident89.8Confident25 Ų2562.8 Ų62.826%0.25831%0.306SS..THydrogen-bonded Turntrans85.6-15.6-179.200000117.8V28 Q32 R33 L34 L82V28-G30 PolarHBondContact O-N 3.49Å; G30-Q32 VanDerWaalsContact C-N 3.31Å; G30-Q32 PolarHBondContact O-N 3.16Å; G30-R33 WeakPolarHBondContact O-CA 3.47Å; G30-R33 VanDerWaalsContact O-CB 3.25Å; G30-R33 WeakPolarHBondContact O-CB 3.19Å; G30-R33 PolarHBondContact O-N 3.27Å; G30-L34 PolarHBondContact O-N 2.7Å; G30-L82 VanDerWaalsContact CA-O 3.26Å; G30-L82 WeakPolarHBondContact CA-O 3.38Å; G30-L82 WeakPolarHBondContact O-CD2 3.41Å
31K90.1Very high89.4Confident17 Ų1758.7 Ų58.77%0.07429%0.286CS..Hα-helixtrans-49.9-50.9171.9172.6179.8173.1177.10112I21 N22 I25 P26 V28 P29 R33 L34 V35I21-K31 HydrophobicContact CG2-CG 4.33Å; I21-K31 VanDerWaalsContact O-CE 3.27Å; I21-K31 WeakPolarHBondContact O-CE 3.34Å; I21-K31 PolarHBondContact O-NZ 3.36Å; N22-K31 PolarHBondContact O-NZ 2.96Å; I25-K31 HydrophobicContact CB-CD 4.19Å; I25-K31 HydrophobicContact CG2-CD 4.2Å; I25-K31 HydrophobicContact CG2-CG 4.31Å; I25-K31 WeakPolarHBondContact O-CE 3.27Å; I25-K31 PolarHBondContact O-NZ 2.83Å; P26-K31 WeakPolarHBondContact O-CD 3.27Å; V28-K31 HydrophobicContact CG2-CB 4.39Å; V28-K31 WeakPolarHBondContact O-CB 3.37Å; V28-K31 PolarHBondContact O-N 3.41Å; P29-K31 PolarHBondContact O-N 3.16Å; K31-R33 PolarHBondContact O-N 2.87Å; K31-L34 WeakPolarHBondContact O-CB 3.47Å; K31-L34 PolarHBondContact O-N 3.25Å; K31-L34 VanDerWaalsContact O-N 3.15Å; K31-V35 PolarHBondContact O-N 2.87Å
32Q89.8Confident89.1Confident82 Ų8258.8 Ų58.838%0.38329%0.288SS..Hα-helixtrans-64-26.2-179.7-69.8-60-29.100113.1G30 R36G30-Q32 VanDerWaalsContact C-N 3.31Å; G30-Q32 PolarHBondContact O-N 3.16Å; Q32-R36 VanDerWaalsContact O-CG 3.28Å; Q32-R36 WeakPolarHBondContact O-CG 3.25Å; Q32-R36 PolarHBondContact O-N 2.86Å; Q32-R36 VanDerWaalsContact O-N 3.08Å
33R87.3Confident88.8Confident116 Ų11659.8 Ų59.844%0.43830%0.296SS..Hα-helixtrans-68.3-44.5175.2-172.2177.9-177.9164.1-0.9110.5G30 K31 V35 R36 M37 C84G30-R33 WeakPolarHBondContact O-CA 3.47Å; G30-R33 VanDerWaalsContact O-CB 3.25Å; G30-R33 WeakPolarHBondContact O-CB 3.19Å; G30-R33 PolarHBondContact O-N 3.27Å; K31-R33 PolarHBondContact O-N 2.87Å; R33-V35 PolarHBondContact O-N 3.39Å; R33-R36 PolarHBondContact O-N 3.45Å; R33-M37 VanDerWaalsContact O-CG 3.23Å; R33-M37 WeakPolarHBondContact O-CG 3.37Å; R33-M37 PolarHBondContact O-N 3.17Å; R33-C84 PolarHBondContact NE-O 3.45Å; R33-C84 PolarHBondContact NH2-O 3.32Å
34L88.1Confident88.3Confident0 Ų052 Ų520%026%0.262CS..Hα-helixtrans-58-47.1175.2173.964.7000111.4I21 I25 G30 K31 R36 M37 C38 F65 I68 L82 Y86I21-L34 HydrophobicContact CD1-CD2 3.83Å; I21-L34 HydrophobicContact CD1-CG 3.82Å; I21-L34 HydrophobicContact CG1-CD2 4.13Å; I21-L34 HydrophobicContact CG2-CD2 4.3Å; I25-L34 HydrophobicContact CD1-CD2 4.07Å; G30-L34 PolarHBondContact O-N 2.7Å; K31-L34 WeakPolarHBondContact O-CB 3.47Å; K31-L34 PolarHBondContact O-N 3.25Å; K31-L34 VanDerWaalsContact O-N 3.15Å; L34-R36 PolarHBondContact O-N 2.98Å; L34-M37 PolarHBondContact O-N 3.35Å; L34-C38 PolarHBondContact O-N 2.82Å; L34-C38 VanDerWaalsContact O-N 3.16Å; L34-C38 PolarHBondContact O-SG 3.05Å; L34-F65 HydrophobicContact CD1-CB 4.44Å; L34-F65 HydrophobicContact CD1-CD1 3.53Å; L34-F65 HydrophobicContact CD1-CE1 4.19Å; L34-F65 HydrophobicContact CD1-CG 4.38Å; L34-I68 HydrophobicContact CD1-CD1 4.25Å; L34-I68 HydrophobicContact CD1-CG2 4.35Å; L34-I68 HydrophobicContact CD2-CG2 3.9Å; L34-L82 HydrophobicContact CB-CD2 4Å; L34-Y86 WeakPolarHBondContact CD1-OH 3.32Å
35V91.7Very high87.9Confident3 Ų349.5 Ų49.52%0.01825%0.247CC..Hα-helixtrans-55.3-53.6176.9169.60000111.8V18 I21 K31 R33 M37 C38 Q39V18-V35 HydrophobicContact CG1-CG1 3.91Å; I21-V35 HydrophobicContact CB-CG2 4.24Å; I21-V35 HydrophobicContact CG2-CG2 3.45Å; I21-V35 VanDerWaalsContact CG2-CG2 3.45Å; K31-V35 PolarHBondContact O-N 2.87Å; R33-V35 PolarHBondContact O-N 3.39Å; V35-M37 PolarHBondContact O-N 3.47Å; V35-C38 PolarHBondContact O-N 3.31Å; V35-Q39 WeakPolarHBondContact O-CG 3.45Å; V35-Q39 PolarHBondContact O-N 2.89Å; V35-Q39 VanDerWaalsContact O-N 3.07Å
36R89.5Confident87.6Confident159 Ų15953.8 Ų53.860%0.627%0.267SS*.Hα-helixtrans-58.6-33.6-179.2-72.3177.3-147160.13.3112.7Q32 R33 L34 K40Q32-R36 VanDerWaalsContact O-CG 3.28Å; Q32-R36 WeakPolarHBondContact O-CG 3.25Å; Q32-R36 PolarHBondContact O-N 2.86Å; Q32-R36 VanDerWaalsContact O-N 3.08Å; R33-R36 PolarHBondContact O-N 3.45Å; L34-R36 PolarHBondContact O-N 2.98Å; R36-K40 VanDerWaalsContact O-CB 3.27Å; R36-K40 WeakPolarHBondContact O-CB 3.26Å; R36-K40 PolarHBondContact O-N 3.45Å
37M86.8Confident87.5Confident36 Ų3656.2 Ų56.218%0.17729%0.285CS..Hα-helixtrans-74.7-39.5-178.6-64.5-56.8-82.200112R33 L34 V35 Q39 K40 E41 F65 Y86R33-M37 VanDerWaalsContact O-CG 3.23Å; R33-M37 WeakPolarHBondContact O-CG 3.37Å; R33-M37 PolarHBondContact O-N 3.17Å; L34-M37 PolarHBondContact O-N 3.35Å; V35-M37 PolarHBondContact O-N 3.47Å; M37-Q39 VanDerWaalsContact C-N 3.32Å; M37-Q39 PolarHBondContact O-N 3.16Å; M37-K40 PolarHBondContact O-N 3.41Å; M37-E41 PolarHBondContact O-N 3.3Å; M37-F65 HydrophobicContact CB-CE1 3.88Å; M37-F65 HydrophobicContact CB-CZ 3.91Å; M37-Y86 HydrophobicContact CB-CD2 4.19Å; M37-Y86 HydrophobicContact CB-CE2 4.17Å; M37-Y86 HydrophobicContact CB-CG 4.47Å; M37-Y86 HydrophobicContact CE-CD2 3.81Å; M37-Y86 HydrophobicContact CE-CG 3.88Å; M37-Y86 HydrophobicContact CG-CD2 3.64Å; M37-Y86 HydrophobicContact CG-CE2 3.8Å; M37-Y86 HydrophobicContact CG-CG 4.28Å
38C90.2Very high87Confident0 Ų050.9 Ų50.90%026%0.256CS..Hα-helixtrans-59.9-45.6172-59.70000110.8L14 V18 L34 V35 E41 A42 F65L14-C38 HydrophobicContact CD2-CB 4.35Å; V18-C38 HydrophobicContact CG2-CB 3.41Å; V18-C38 VanDerWaalsContact CG2-CB 3.41Å; L34-C38 PolarHBondContact O-N 2.82Å; L34-C38 VanDerWaalsContact O-N 3.16Å; L34-C38 PolarHBondContact O-SG 3.05Å; V35-C38 PolarHBondContact O-N 3.31Å; C38-E41 PolarHBondContact O-N 2.78Å; C38-A42 PolarHBondContact O-N 3.36Å; C38-F65 HydrophobicContact CB-CD2 4.34Å; C38-F65 HydrophobicContact CB-CE2 4.41Å; C38-F65 VanDerWaalsContact SG-CD2 3.54Å; C38-F65 WeakPolarHBondContact SG-CG 3.36Å
39Q92.7Very high86.6Confident92 Ų9253 Ų5343%0.4327%0.27SS..Hα-helixtrans-61.5-47.2177-69.4174-31.200112V18 V35 M37 E41 A42 T43V18-Q39 HydrophobicContact CG1-CG 4.15Å; V18-Q39 HydrophobicContact CG2-CG 3.76Å; V35-Q39 WeakPolarHBondContact O-CG 3.45Å; V35-Q39 PolarHBondContact O-N 2.89Å; V35-Q39 VanDerWaalsContact O-N 3.07Å; M37-Q39 VanDerWaalsContact C-N 3.32Å; M37-Q39 PolarHBondContact O-N 3.16Å; Q39-E41 VanDerWaalsContact C-N 3.28Å; Q39-E41 PolarHBondContact O-N 3.15Å; Q39-A42 PolarHBondContact O-N 3.38Å; Q39-T43 PolarHBondContact O-N 2.91Å; Q39-T43 PolarHBondContact O-OG1 2.93Å
40K88.8Confident86.1Confident118 Ų11856.8 Ų56.851%0.51329%0.285SS..Hα-helixtrans-60.9-38.8-179.6-172.7172.1-175.3-176.30112.2R36 M37 H44 L88R36-K40 VanDerWaalsContact O-CB 3.27Å; R36-K40 WeakPolarHBondContact O-CB 3.26Å; R36-K40 PolarHBondContact O-N 3.45Å; M37-K40 PolarHBondContact O-N 3.41Å; K40-H44 WeakPolarHBondContact O-CB 3.11Å; K40-H44 PolarHBondContact O-N 3.43Å; K40-L88 HydrophobicContact CD-CD1 3.75Å; K40-L88 HydrophobicContact CD-CD2 4.2Å; K40-L88 HydrophobicContact CG-CD1 4.42Å; K40-L88 HydrophobicContact CG-CD2 4.13Å
41E87.1Confident85.4Confident1 Ų161.6 Ų61.61%0.00531%0.305CS..Hα-helixtrans-71.6-39.1176.9-170.7172.6143.400112.5L14 M37 C38 Q39 T43 H44 F45 S60 N61 F65L14-E41 HydrophobicContact CD1-CB 4.22Å; L14-E41 HydrophobicContact CD1-CG 4.08Å; M37-E41 PolarHBondContact O-N 3.3Å; C38-E41 PolarHBondContact O-N 2.78Å; Q39-E41 VanDerWaalsContact C-N 3.28Å; Q39-E41 PolarHBondContact O-N 3.15Å; E41-T43 PolarHBondContact O-N 3.23Å; E41-H44 WeakPolarHBondContact O-CB 3.41Å; E41-H44 PolarHBondContact O-N 3.42Å; E41-F45 HydrophobicContact CG-CD2 3.94Å; E41-F45 HydrophobicContact CG-CE2 3.57Å; E41-F45 VanDerWaalsContact O-CD2 3.31Å; E41-F45 WeakPolarHBondContact O-CD2 3.28Å; E41-F45 PolarHBondContact O-N 3.32Å; E41-F45 WeakPolarHBondContact OE1-CE2 3.39Å; E41-S60 WeakPolarHBondContact OE1-CA 3.41Å; E41-S60 VanDerWaalsContact OE1-CB 3.31Å; E41-S60 WeakPolarHBondContact OE1-CB 3.5Å; E41-S60 PolarHBondContact OE1-OG 3.41Å; E41-N61 PolarHBondContact OE1-N 2.84Å; E41-N61 VanDerWaalsContact OE2-CB 3.22Å; E41-N61 WeakPolarHBondContact OE2-CB 3.32Å; E41-N61 PolarHBondContact OE2-N 3.05Å; E41-N61 PolarHBondContact OE2-ND2 3.29Å; E41-F65 HydrophobicContact CB-CE2 4.45Å; E41-F65 WeakPolarHBondContact OE2-CE2 3.06Å
42A88.9Confident84.3Confident3 Ų361.9 Ų61.93%0.02531%0.307CS..Hα-helixtrans-59.2-47.8174.500000111.2L14 C38 Q39 H44 F45 E46L14-A42 HydrophobicContact CB-CB 3.96Å; L14-A42 HydrophobicContact CD1-CB 4.06Å; C38-A42 PolarHBondContact O-N 3.36Å; Q39-A42 PolarHBondContact O-N 3.38Å; A42-H44 VanDerWaalsContact C-N 3.29Å; A42-H44 PolarHBondContact O-N 2.81Å; A42-F45 PolarHBondContact O-N 3.03Å; A42-E46 WeakPolarHBondContact O-CG 3.31Å; A42-E46 PolarHBondContact O-N 3.38Å
43T87.9Confident83.2Confident85 Ų8558.5 Ų58.552%0.52129%0.292SS..Hα-helixtrans-61.9-36.1175.5-55.90000112.4Q39 E41 E46 S47Q39-T43 PolarHBondContact O-N 2.91Å; Q39-T43 PolarHBondContact O-OG1 2.93Å; E41-T43 PolarHBondContact O-N 3.23Å; T43-E46 PolarHBondContact O-N 3.31Å; T43-S47 PolarHBondContact O-N 2.98Å; T43-S47 VanDerWaalsContact O-N 3.17Å
44H84.5Confident82.3Confident23 Ų2356.3 Ų56.311%0.10629%0.289CS..Hα-helixtrans-62.7-47.817617965.2000111.6K40 E41 A42 E46 S47 L48K40-H44 WeakPolarHBondContact O-CB 3.11Å; K40-H44 PolarHBondContact O-N 3.43Å; E41-H44 WeakPolarHBondContact O-CB 3.41Å; E41-H44 PolarHBondContact O-N 3.42Å; A42-H44 VanDerWaalsContact C-N 3.29Å; A42-H44 PolarHBondContact O-N 2.81Å; H44-E46 VanDerWaalsContact C-N 3.31Å; H44-E46 PolarHBondContact O-N 3.41Å; H44-S47 PolarHBondContact O-N 2.97Å; H44-S47 VanDerWaalsContact O-N 3.08Å; H44-S47 PolarHBondContact O-OG 2.86Å; H44-L48 PolarHBondContact O-N 3.45Å
45F84.3Confident81.3Confident3 Ų359 Ų591%0.01330%0.303CS..Hα-helixtrans-64.3-34.4176.8-74.5-59.1000113.2V10 I11 L14 E41 A42 S47 L48 S56V10-F45 HydrophobicContact CG1-CD2 4.03Å; V10-F45 HydrophobicContact CG1-CE2 3.86Å; I11-F45 HydrophobicContact CD1-CB 3.84Å; I11-F45 HydrophobicContact CG1-CB 3.62Å; L14-F45 HydrophobicContact CD1-CD2 4.2Å; L14-F45 HydrophobicContact CD1-CE2 4.46Å; E41-F45 HydrophobicContact CG-CD2 3.94Å; E41-F45 HydrophobicContact CG-CE2 3.57Å; E41-F45 VanDerWaalsContact O-CD2 3.31Å; E41-F45 WeakPolarHBondContact O-CD2 3.28Å; E41-F45 PolarHBondContact O-N 3.32Å; E41-F45 WeakPolarHBondContact OE1-CE2 3.39Å; A42-F45 PolarHBondContact O-N 3.03Å; F45-S47 PolarHBondContact O-N 3.11Å; F45-L48 HydrophobicContact CD1-CD1 3.91Å; F45-L48 HydrophobicContact CE1-CD1 4.41Å; F45-L48 PolarHBondContact O-N 2.63Å; F45-S56 VanDerWaalsContact CD1-OG 3.3Å; F45-S56 WeakPolarHBondContact CD1-OG 3.39Å; F45-S56 VanDerWaalsContact CE1-O 3.3Å; F45-S56 WeakPolarHBondContact CE1-O 3.3Å; F45-S56 VanDerWaalsContact CE1-OG 3.24Å; F45-S56 WeakPolarHBondContact CE1-OG 3.41Å
46E84.4Confident80.2Confident95 Ų9559.5 Ų59.544%0.44431%0.307SS..Hα-helixtrans-63.3-27.7173.4-72.4173.3160.400112.9I11 K15 A42 T43 H44I11-E46 HydrophobicContact CD1-CG 3.77Å; I11-E46 HydrophobicContact CG1-CG 4.21Å; I11-E46 HydrophobicContact CG2-CG 3.93Å; K15-E46 WeakPolarHBondContact CE-OE1 3.43Å; K15-E46 IonicContact NZ-OE1 2.8Å; K15-E46 PolarHBondContact NZ-OE1 3.43Å; A42-E46 WeakPolarHBondContact O-CG 3.31Å; A42-E46 PolarHBondContact O-N 3.38Å; T43-E46 PolarHBondContact O-N 3.31Å; H44-E46 VanDerWaalsContact C-N 3.31Å; H44-E46 PolarHBondContact O-N 3.41Å
47S84.1Confident79.3Confident86 Ų8652.4 Ų52.460%0.60128%0.282SS*.THydrogen-bonded Turntrans-85.9-8.6-178.7710000114.8T43 H44 F45T43-S47 PolarHBondContact O-N 2.98Å; T43-S47 VanDerWaalsContact O-N 3.17Å; H44-S47 PolarHBondContact O-N 2.97Å; H44-S47 VanDerWaalsContact O-N 3.08Å; H44-S47 PolarHBondContact O-OG 2.86Å; F45-S47 PolarHBondContact O-N 3.11Å
48L79.6Confident78.4Confident26 Ų2655.2 Ų55.214%0.13630%0.301CS..SBendtrans-80.1144.2-175.1-72.6172.6000112.4H44 F45 V53 S56H44-L48 PolarHBondContact O-N 3.45Å; F45-L48 HydrophobicContact CD1-CD1 3.91Å; F45-L48 HydrophobicContact CE1-CD1 4.41Å; F45-L48 PolarHBondContact O-N 2.63Å; L48-V53 HydrophobicContact CB-CG2 3.54Å; L48-V53 WeakPolarHBondContact O-CG2 3.2Å; L48-S56 WeakPolarHBondContact CD1-OG 3.42Å
49P76.5Confident77.3Confident59 Ų5957.2 Ų57.238%0.38332%0.315SS..  trans-60.8138.9171.3-25.536.2000113.1D51 L52 V53P49-D51 WeakPolarHBondContact CB-OD1 3.41Å; P49-D51 PolarHBondContact O-N 3.36Å; P49-L52 HydrophobicContact CG-CD1 4.42Å; P49-L52 PolarHBondContact O-N 2.9Å; P49-V53 VanDerWaalsContact C-CG2 3.49Å; P49-V53 WeakPolarHBondContact O-CG2 3.45Å; P49-V53 PolarHBondContact O-N 2.88Å; P49-V53 VanDerWaalsContact O-N 3.16Å
50L71.4Confident76.5Confident164 Ų16453.3 Ų53.386%0.85930%0.297SS*.Hα-helixtrans-50.1-30.1-174-76.6164.6000114.6
51D69.5Low76Confident125 Ų12547.8 Ų47.867%0.66827%0.274SS*.Hα-helixtrans-74.3-28.2178.457.5-52.2000114P49P49-D51 WeakPolarHBondContact CB-OD1 3.41Å; P49-D51 PolarHBondContact O-N 3.36Å
52L68.3Low75.7Confident23 Ų2347.9 Ų47.912%0.1227%0.274CS..Hα-helixtrans-96.5-15.2178.2-64177.3000113.2P49 D55 S56 Y128P49-L52 HydrophobicContact CG-CD1 4.42Å; P49-L52 PolarHBondContact O-N 2.9Å; L52-D55 PolarHBondContact O-N 2.85Å; L52-S56 WeakPolarHBondContact O-CB 3.47Å; L52-S56 PolarHBondContact O-N 3.49Å; L52-S56 PolarHBondContact O-OG 3.15Å; L52-Y128 HydrophobicContact CD2-CE2 3.66Å
53V64.6Low75Confident12 Ų1249 Ų497%0.07328%0.281CS..Hα-helixtrans-64.5-46.2-166.7159.20000112.4S7 L48 P49 S56 A57S7-V53 WeakPolarHBondContact OG-CG1 3.32Å; L48-V53 HydrophobicContact CB-CG2 3.54Å; L48-V53 WeakPolarHBondContact O-CG2 3.2Å; P49-V53 VanDerWaalsContact C-CG2 3.49Å; P49-V53 WeakPolarHBondContact O-CG2 3.45Å; P49-V53 PolarHBondContact O-N 2.88Å; P49-V53 VanDerWaalsContact O-N 3.16Å; V53-S56 PolarHBondContact O-N 2.54Å; V53-S56 PolarHBondContact O-OG 2.67Å; V53-A57 PolarHBondContact O-N 3.03Å
54D69Low74.2Confident70 Ų7047 Ų4737%0.37426%0.264SS..Hα-helixtrans-74.8-28.2-179.3-75.6-21.5000113.1S6 S7S6-D54 WeakPolarHBondContact CA-OD1 3.22Å; S6-D54 PolarHBondContact OG-OD1 2.72Å; S7-D54 PolarHBondContact N-OD1 3.19Å
55D66.8Low74.2Confident56 Ų5646 Ų4630%0.29926%0.26SS..Hα-helixtrans-73.8-33.8174.3-76.2-15.9000111.5K4 L52 A57 Y128K4-D55 IonicContact NZ-OD1 2.69Å; K4-D55 PolarHBondContact NZ-OD1 3.31Å; L52-D55 PolarHBondContact O-N 2.85Å; D55-A57 VanDerWaalsContact C-N 3.35Å; D55-A57 PolarHBondContact O-N 3.27Å; D55-Y128 HydrophobicContact CB-CD1 4.37Å
56S69.2Low74.1Confident14 Ų1449.5 Ų49.510%0.09828%0.275CS..Hα-helixtrans-69.4-29.5176.675.90000113.4F45 L48 L52 V53 V58 C59F45-S56 VanDerWaalsContact CD1-OG 3.3Å; F45-S56 WeakPolarHBondContact CD1-OG 3.39Å; F45-S56 VanDerWaalsContact CE1-O 3.3Å; F45-S56 WeakPolarHBondContact CE1-O 3.3Å; F45-S56 VanDerWaalsContact CE1-OG 3.24Å; F45-S56 WeakPolarHBondContact CE1-OG 3.41Å; L48-S56 WeakPolarHBondContact CD1-OG 3.42Å; L52-S56 WeakPolarHBondContact O-CB 3.47Å; L52-S56 PolarHBondContact O-N 3.49Å; L52-S56 PolarHBondContact O-OG 3.15Å; V53-S56 PolarHBondContact O-N 2.54Å; V53-S56 PolarHBondContact O-OG 2.67Å; S56-V58 PolarHBondContact O-N 2.61Å; S56-V58 VanDerWaalsContact O-N 3.16Å; S56-C59 WeakPolarHBondContact O-CA 3.26Å; S56-C59 WeakPolarHBondContact O-CB 3.49Å; S56-C59 PolarHBondContact O-N 2.7Å
57A70.1Confident73.6Confident10 Ų1046.2 Ų46.28%0.08326%0.264CS..Hα-helixtrans-59.5-29.3-178.500000112.6K5 V10 V53 D55 C59 S60K5-A57 WeakPolarHBondContact O-CB 3.47Å; V10-A57 HydrophobicContact CG2-CB 4.04Å; V53-A57 PolarHBondContact O-N 3.03Å; D55-A57 VanDerWaalsContact C-N 3.35Å; D55-A57 PolarHBondContact O-N 3.27Å; A57-C59 PolarHBondContact O-N 3.05Å; A57-S60 WeakPolarHBondContact O-CB 3.48Å; A57-S60 PolarHBondContact O-N 3.08Å
58V68Low73.3Confident94 Ų9442.3 Ų42.357%0.5724%0.236SC*.THydrogen-bonded Turntrans-63.3-26.2174.7-176.40000111.8S56S56-V58 PolarHBondContact O-N 2.61Å; S56-V58 VanDerWaalsContact O-N 3.16Å
59C66.9Low73.6Confident43 Ų4341.2 Ų41.229%0.29123%0.231SC..THydrogen-bonded Turntrans-93.17.6-178.7-65.70000113.9S56 A57S56-C59 WeakPolarHBondContact O-CA 3.26Å; S56-C59 WeakPolarHBondContact O-CB 3.49Å; S56-C59 PolarHBondContact O-N 2.7Å; A57-C59 PolarHBondContact O-N 3.05Å
60S77.4Confident73.8Confident9 Ų941.5 Ų41.56%0.06323%0.231CC..  trans-66.4142.9-179.1-179.40000113.3V10 E41 A57 L62V10-S60 VanDerWaalsContact CG1-OG 3.32Å; V10-S60 WeakPolarHBondContact CG1-OG 3.42Å; E41-S60 WeakPolarHBondContact OE1-CA 3.41Å; E41-S60 VanDerWaalsContact OE1-CB 3.31Å; E41-S60 WeakPolarHBondContact OE1-CB 3.5Å; E41-S60 PolarHBondContact OE1-OG 3.41Å; A57-S60 WeakPolarHBondContact O-CB 3.48Å; A57-S60 PolarHBondContact O-N 3.08Å; S60-L62 VanDerWaalsContact C-N 3.33Å; S60-L62 VanDerWaalsContact OG-CB 3.26Å; S60-L62 WeakPolarHBondContact OG-CB 3.11Å; S60-L62 PolarHBondContact OG-N 2.68Å
61N77.2Confident74Confident3 Ų334 Ų342%0.01619%0.192CC..SBendtrans-84.4-0.3169.4-54.7-74000114E41 Y64 F65 R181E41-N61 PolarHBondContact OE1-N 2.84Å; E41-N61 VanDerWaalsContact OE2-CB 3.22Å; E41-N61 WeakPolarHBondContact OE2-CB 3.32Å; E41-N61 PolarHBondContact OE2-N 3.05Å; E41-N61 PolarHBondContact OE2-ND2 3.29Å; N61-Y64 HydrophobicContact CB-CD2 3.89Å; N61-Y64 WeakPolarHBondContact O-CA 3.24Å; N61-Y64 WeakPolarHBondContact O-CB 3.31Å; N61-Y64 WeakPolarHBondContact O-CD2 3.39Å; N61-Y64 PolarHBondContact O-N 3.17Å; N61-F65 HydrophobicContact CB-CD2 4.23Å; N61-F65 HydrophobicContact CB-CE2 3.77Å; N61-F65 HydrophobicContact CB-CZ 3.98Å; N61-F65 WeakPolarHBondContact O-CD2 3.31Å; N61-F65 PolarHBondContact O-N 3.39Å; N61-F65 VanDerWaalsContact O-N 3.08Å; N61-R181 PolarHBondContact OD1-NH2 3.03Å
62L82.3Confident74.5Confident3 Ų328 Ų282%0.01616%0.16CC..Hα-helixtrans-44.7-49.7177.9170.867000114V10 E13 L14 L17 S60 Y64 F65 K66V10-L62 HydrophobicContact CG1-CB 4.45Å; V10-L62 HydrophobicContact CG1-CD2 4.17Å; E13-L62 HydrophobicContact CB-CD1 4.03Å; E13-L62 HydrophobicContact CB-CD2 3.47Å; E13-L62 VanDerWaalsContact CB-CD2 3.47Å; E13-L62 HydrophobicContact CB-CG 4.37Å; E13-L62 HydrophobicContact CG-CD2 4.26Å; L14-L62 HydrophobicContact CD2-CB 3.85Å; L14-L62 HydrophobicContact CD2-CD1 3.74Å; L14-L62 HydrophobicContact CD2-CG 4.38Å; L14-L62 HydrophobicContact CG-CB 4.14Å; L14-L62 HydrophobicContact CG-CD1 3.95Å; L14-L62 HydrophobicContact CG-CG 4.47Å; L17-L62 HydrophobicContact CD2-CD1 3.95Å; S60-L62 VanDerWaalsContact C-N 3.33Å; S60-L62 VanDerWaalsContact OG-CB 3.26Å; S60-L62 WeakPolarHBondContact OG-CB 3.11Å; S60-L62 PolarHBondContact OG-N 2.68Å; L62-Y64 PolarHBondContact O-N 2.59Å; L62-F65 PolarHBondContact O-N 3.49Å; L62-K66 HydrophobicContact CD1-CD 4.42Å; L62-K66 HydrophobicContact CD1-CG 4.31Å; L62-K66 PolarHBondContact O-N 3.08Å
63P73.2Confident75.3Confident26 Ų2629.4 Ų29.417%0.16917%0.168CC..Hα-helixtrans-38.7-49.1167.2-41.143000115.7K66 A67 H234P63-K66 PolarHBondContact O-N 3.38Å; P63-A67 PolarHBondContact O-N 3.35Å; P63-A67 VanDerWaalsContact O-N 3.15Å; P63-H234 VanDerWaalsContact CA-NE2 3.31Å; P63-H234 WeakPolarHBondContact CA-NE2 3.31Å; P63-H234 WeakPolarHBondContact CB-CD2 3.47Å; P63-H234 WeakPolarHBondContact CB-NE2 3.41Å; P63-H234 WeakPolarHBondContact CG-NE2 3.3Å
64Y72Confident75.9Confident42 Ų4230 Ų3017%0.16517%0.173CC..Hα-helixtrans-79.5-39.3-172.9-47.9-59.3000111.4N61 L62 K66 A67 I68 L138 T180 R181N61-Y64 HydrophobicContact CB-CD2 3.89Å; N61-Y64 WeakPolarHBondContact O-CA 3.24Å; N61-Y64 WeakPolarHBondContact O-CB 3.31Å; N61-Y64 WeakPolarHBondContact O-CD2 3.39Å; N61-Y64 PolarHBondContact O-N 3.17Å; L62-Y64 PolarHBondContact O-N 2.59Å; Y64-K66 PolarHBondContact O-N 2.76Å; Y64-A67 PolarHBondContact O-N 2.77Å; Y64-I68 WeakPolarHBondContact O-CD1 3.3Å; Y64-I68 VanDerWaalsContact O-CG1 3.24Å; Y64-I68 WeakPolarHBondContact O-CG1 3.28Å; Y64-I68 PolarHBondContact O-N 3.47Å; Y64-L138 VanDerWaalsContact CB-CD2 3.48Å; Y64-L138 HydrophobicContact CD2-CD2 4.5Å; Y64-L138 HydrophobicContact CG-CD2 4.07Å; Y64-T180 HydrophobicContact CD1-CG2 4.2Å; Y64-T180 WeakPolarHBondContact CD1-OG1 3.23Å; Y64-R181 HydrophobicContact CE2-CG 4.1Å; Y64-R181 VanDerWaalsContact OH-CA 3.27Å; Y64-R181 WeakPolarHBondContact OH-CA 3.3Å; Y64-R181 PolarHBondContact OH-O 2.74Å
65F83.4Confident76.2Confident2 Ų227.4 Ų27.41%0.00916%0.158CC..Hα-helixtrans-57.6-40.5172.4-61.6-47.5000111L14 L17 L34 M37 C38 E41 N61 L62 T69 Y86L14-F65 HydrophobicContact CD2-CD2 3.64Å; L14-F65 HydrophobicContact CD2-CE2 3.91Å; L17-F65 HydrophobicContact CD2-CB 3.33Å; L17-F65 HydrophobicContact CD2-CG 4.49Å; L34-F65 HydrophobicContact CD1-CB 4.44Å; L34-F65 HydrophobicContact CD1-CD1 3.53Å; L34-F65 HydrophobicContact CD1-CE1 4.19Å; L34-F65 HydrophobicContact CD1-CG 4.38Å; M37-F65 HydrophobicContact CB-CE1 3.88Å; M37-F65 HydrophobicContact CB-CZ 3.91Å; C38-F65 HydrophobicContact CB-CD2 4.34Å; C38-F65 HydrophobicContact CB-CE2 4.41Å; C38-F65 VanDerWaalsContact SG-CD2 3.54Å; C38-F65 WeakPolarHBondContact SG-CG 3.36Å; E41-F65 HydrophobicContact CB-CE2 4.45Å; E41-F65 WeakPolarHBondContact OE2-CE2 3.06Å; N61-F65 HydrophobicContact CB-CD2 4.23Å; N61-F65 HydrophobicContact CB-CE2 3.77Å; N61-F65 HydrophobicContact CB-CZ 3.98Å; N61-F65 WeakPolarHBondContact O-CD2 3.31Å; N61-F65 PolarHBondContact O-N 3.39Å; N61-F65 VanDerWaalsContact O-N 3.08Å; L62-F65 PolarHBondContact O-N 3.49Å; F65-T69 WeakPolarHBondContact O-CB 3.08Å; F65-T69 PolarHBondContact O-N 2.86Å; F65-T69 PolarHBondContact O-OG1 3.08Å; F65-Y86 HydrophobicContact CD1-CD1 4.33Å; F65-Y86 AromaticContact CD1-CE1 3.64Å; F65-Y86 HydrophobicContact CD1-CE1 3.64Å; F65-Y86 AromaticContact CE1-CD1 3.47Å; F65-Y86 HydrophobicContact CE1-CD1 3.47Å; F65-Y86 VanDerWaalsContact CE1-CD1 3.47Å; F65-Y86 AromaticContact CE1-CE1 3.14Å; F65-Y86 HydrophobicContact CE1-CE1 3.14Å; F65-Y86 HydrophobicContact CE1-CG 4.48Å; F65-Y86 AromaticContact CE1-CZ 3.77Å; F65-Y86 HydrophobicContact CZ-CD1 4.09Å; F65-Y86 HydrophobicContact CZ-CE1 4.18Å
66K83.3Confident76.8Confident78 Ų7825.9 Ų25.934%0.33916%0.155SC..Hα-helixtrans-63.4-44.3174.8-74.3-173.7167.6-178.30112.3E13 L17 L62 P63 Y64 T69 T70E13-K66 IonicContact OE2-NZ 3.68Å; E13-K66 PolarHBondContact OE2-NZ 3.48Å; L17-K66 HydrophobicContact CD1-CG 4.03Å; L17-K66 HydrophobicContact CD2-CG 3.81Å; L62-K66 HydrophobicContact CD1-CD 4.42Å; L62-K66 HydrophobicContact CD1-CG 4.31Å; L62-K66 PolarHBondContact O-N 3.08Å; P63-K66 PolarHBondContact O-N 3.38Å; Y64-K66 PolarHBondContact O-N 2.76Å; K66-T69 PolarHBondContact O-N 2.81Å; K66-T70 WeakPolarHBondContact O-CB 3.29Å; K66-T70 PolarHBondContact O-N 3.22Å; K66-T70 PolarHBondContact O-OG1 3.38Å
67A73.6Confident77.1Confident26 Ų2632.1 Ų32.122%0.21519%0.187CC..Hα-helixtrans-62.3-47.3178.300000112.2P63 Y64 T69 T70 L71P63-A67 PolarHBondContact O-N 3.35Å; P63-A67 VanDerWaalsContact O-N 3.15Å; Y64-A67 PolarHBondContact O-N 2.77Å; A67-T69 VanDerWaalsContact C-N 3.31Å; A67-T69 PolarHBondContact O-N 3.48Å; A67-T70 PolarHBondContact O-N 3.44Å; A67-L71 PolarHBondContact O-N 3.17Å
68I77.5Confident77.1Confident4 Ų434.1 Ų34.12%0.02119%0.193CC..Hα-helixtrans-58.9-45.3176.9-64.2158.5000110.5L34 Y64 T70 L71 A72 L82 Y86 L138 V140L34-I68 HydrophobicContact CD1-CD1 4.25Å; L34-I68 HydrophobicContact CD1-CG2 4.35Å; L34-I68 HydrophobicContact CD2-CG2 3.9Å; Y64-I68 WeakPolarHBondContact O-CD1 3.3Å; Y64-I68 VanDerWaalsContact O-CG1 3.24Å; Y64-I68 WeakPolarHBondContact O-CG1 3.28Å; Y64-I68 PolarHBondContact O-N 3.47Å; I68-T70 VanDerWaalsContact C-N 3.34Å; I68-T70 PolarHBondContact O-N 3.31Å; I68-L71 PolarHBondContact O-N 2.62Å; I68-A72 WeakPolarHBondContact O-CB 3.21Å; I68-A72 PolarHBondContact O-N 3.39Å; I68-L82 HydrophobicContact CG2-CD1 3.85Å; I68-Y86 HydrophobicContact CD1-CE1 4.21Å; I68-L138 HydrophobicContact CD1-CD2 4.05Å; I68-V140 HydrophobicContact CD1-CG2 3.6Å; I68-V140 HydrophobicContact CG1-CG1 4.4Å; I68-V140 HydrophobicContact CG1-CG2 4.01Å; I68-V140 HydrophobicContact CG2-CG1 4.46Å
69T85.2Confident77.5Confident2 Ų229.9 Ų29.91%0.01217%0.167CC..Hα-helixtrans-64.2-41.2-179.6-56.70000111.5L17 I21 I25 F65 K66 A67 A72 N73L17-T69 HydrophobicContact CD1-CG2 4.16Å; I21-T69 HydrophobicContact CG1-CG2 3.64Å; I21-T69 WeakPolarHBondContact CG1-OG1 3.38Å; I25-T69 HydrophobicContact CD1-CG2 4.15Å; I25-T69 HydrophobicContact CG1-CG2 4.47Å; F65-T69 WeakPolarHBondContact O-CB 3.08Å; F65-T69 PolarHBondContact O-N 2.86Å; F65-T69 PolarHBondContact O-OG1 3.08Å; K66-T69 PolarHBondContact O-N 2.81Å; A67-T69 VanDerWaalsContact C-N 3.31Å; A67-T69 PolarHBondContact O-N 3.48Å; T69-A72 PolarHBondContact O-N 3.25Å; T69-N73 WeakPolarHBondContact O-CB 3.38Å; T69-N73 PolarHBondContact O-N 3.12Å; T69-N73 PolarHBondContact O-ND2 2.6Å
70T81.2Confident77.9Confident65 Ų6531.2 Ų31.240%0.39917%0.174SC..Hα-helixtrans-61.8-45.9176-56.80000111.1K66 A67 I68 N73 S74K66-T70 WeakPolarHBondContact O-CB 3.29Å; K66-T70 PolarHBondContact O-N 3.22Å; K66-T70 PolarHBondContact O-OG1 3.38Å; A67-T70 PolarHBondContact O-N 3.44Å; I68-T70 VanDerWaalsContact C-N 3.34Å; I68-T70 PolarHBondContact O-N 3.31Å; T70-N73 PolarHBondContact O-N 3.42Å; T70-S74 PolarHBondContact O-N 3.42Å
71L75.1Confident77.8Confident7 Ų733.3 Ų33.34%0.03718%0.184CC..Hα-helixtrans-62.2-50.6176-74.3172.4000112A67 I68 N73 S74 Y75 L142 V178 H230 L232A67-L71 PolarHBondContact O-N 3.17Å; I68-L71 PolarHBondContact O-N 2.62Å; L71-N73 VanDerWaalsContact C-N 3.28Å; L71-N73 PolarHBondContact O-N 3.25Å; L71-S74 WeakPolarHBondContact O-CA 3.01Å; L71-S74 WeakPolarHBondContact O-CB 3.48Å; L71-S74 PolarHBondContact O-N 3.17Å; L71-S74 PolarHBondContact O-OG 2.73Å; L71-Y75 VanDerWaalsContact O-CD2 3.25Å; L71-Y75 WeakPolarHBondContact O-CD2 3.45Å; L71-Y75 PolarHBondContact O-N 2.55Å; L71-Y75 VanDerWaalsContact O-N 3.12Å; L71-L142 HydrophobicContact CB-CD2 4.17Å; L71-V178 HydrophobicContact CD1-CG2 4.2Å; L71-H230 WeakPolarHBondContact CD2-CE1 3.28Å; L71-H230 WeakPolarHBondContact CD2-ND1 3.45Å; L71-L232 HydrophobicContact CD1-CD1 3.95Å; L71-L232 HydrophobicContact CD2-CD1 3.48Å; L71-L232 VanDerWaalsContact CD2-CD1 3.48Å; L71-L232 HydrophobicContact CD2-CG 4.12Å; L71-L232 HydrophobicContact CG-CD1 3.43Å; L71-L232 VanDerWaalsContact CG-CD1 3.43Å; L71-L232 HydrophobicContact CG-CG 4.44Å
72A81.4Confident77.8Confident0 Ų033.2 Ų33.20%018%0.184CC..Hα-helixtrans-57.9-42-18000000111.9I25 I68 T69 S74 Y75 G76 L79 L82I25-A72 HydrophobicContact CD1-CB 3.61Å; I25-A72 HydrophobicContact CG1-CB 3.96Å; I25-A72 HydrophobicContact CG2-CB 4.16Å; I68-A72 WeakPolarHBondContact O-CB 3.21Å; I68-A72 PolarHBondContact O-N 3.39Å; T69-A72 PolarHBondContact O-N 3.25Å; A72-S74 VanDerWaalsContact C-N 3.33Å; A72-S74 PolarHBondContact O-N 3.48Å; A72-Y75 PolarHBondContact O-N 3.49Å; A72-G76 PolarHBondContact O-N 2.74Å; A72-G76 VanDerWaalsContact O-N 3.09Å; A72-L79 HydrophobicContact CB-CD2 3.87Å; A72-L82 HydrophobicContact CB-CD1 4.31Å
73N83.6Confident77.1Confident51 Ų5136.1 Ų36.127%0.27320%0.199SC..Hα-helixtrans-62.9-38.4173.9-73.9-13.5000112.4H20 T24 I25 T69 T70 L71 Y75 G76H20-N73 PolarHBondContact NE2-ND2 3.31Å; H20-N73 VanDerWaalsContact NE2-ND2 3.15Å; T24-N73 WeakPolarHBondContact CB-OD1 3.47Å; T24-N73 VanDerWaalsContact OG1-CG 3.25Å; T24-N73 PolarHBondContact OG1-ND2 3.01Å; T24-N73 PolarHBondContact OG1-OD1 3.25Å; I25-N73 WeakPolarHBondContact CG1-OD1 3.45Å; T69-N73 WeakPolarHBondContact O-CB 3.38Å; T69-N73 PolarHBondContact O-N 3.12Å; T69-N73 PolarHBondContact O-ND2 2.6Å; T70-N73 PolarHBondContact O-N 3.42Å; L71-N73 VanDerWaalsContact C-N 3.28Å; L71-N73 PolarHBondContact O-N 3.25Å; N73-Y75 VanDerWaalsContact C-N 3.26Å; N73-Y75 PolarHBondContact O-N 2.97Å; N73-G76 PolarHBondContact O-N 2.84Å
74S77.2Confident76.7Confident26 Ų2634.9 Ų34.918%0.18219%0.191CC..Hα-helixtrans-65.6-28.7178.378.30000113.3T70 L71 A72 S263 P265 W266T70-S74 PolarHBondContact O-N 3.42Å; L71-S74 WeakPolarHBondContact O-CA 3.01Å; L71-S74 WeakPolarHBondContact O-CB 3.48Å; L71-S74 PolarHBondContact O-N 3.17Å; L71-S74 PolarHBondContact O-OG 2.73Å; A72-S74 VanDerWaalsContact C-N 3.33Å; A72-S74 PolarHBondContact O-N 3.48Å; S74-S263 WeakPolarHBondContact CB-O 3.27Å; S74-P265 VanDerWaalsContact OG-CD 3.22Å; S74-P265 WeakPolarHBondContact OG-CD 3.41Å; S74-P265 WeakPolarHBondContact OG-CG 3.44Å; S74-W266 PolarHBondContact O-NE1 3.4Å
75Y75.2Confident76Confident14 Ų1440.4 Ų40.46%0.05521%0.211CC..Hα-helixtrans-82.8-27.6175-76.8-71000113.4L71 A72 N73 N77 R78 L142 C144 L174 I176 P265 W266L71-Y75 VanDerWaalsContact O-CD2 3.25Å; L71-Y75 WeakPolarHBondContact O-CD2 3.45Å; L71-Y75 PolarHBondContact O-N 2.55Å; L71-Y75 VanDerWaalsContact O-N 3.12Å; A72-Y75 PolarHBondContact O-N 3.49Å; N73-Y75 VanDerWaalsContact C-N 3.26Å; N73-Y75 PolarHBondContact O-N 2.97Å; Y75-N77 PolarHBondContact O-N 3.07Å; Y75-R78 WeakPolarHBondContact O-CB 3.43Å; Y75-R78 PolarHBondContact O-N 3.46Å; Y75-L142 HydrophobicContact CD2-CD2 4.23Å; Y75-L142 HydrophobicContact CE2-CD2 4.48Å; Y75-C144 HydrophobicContact CD1-CB 3.9Å; Y75-C144 WeakPolarHBondContact CD1-SG 3.05Å; Y75-C144 HydrophobicContact CE1-CB 4.16Å; Y75-C144 HydrophobicContact CG-CB 4.49Å; Y75-C144 VanDerWaalsContact CG-SG 3.53Å; Y75-L174 HydrophobicContact CE1-CD2 4.48Å; Y75-I176 HydrophobicContact CE1-CD1 4.23Å; Y75-I176 HydrophobicContact CE2-CD1 3.51Å; Y75-I176 WeakPolarHBondContact OH-CD1 3.5Å; Y75-P265 HydrophobicContact CD1-CG 4.19Å; Y75-P265 HydrophobicContact CD2-CG 4.37Å; Y75-P265 HydrophobicContact CE1-CB 3.93Å; Y75-P265 HydrophobicContact CE1-CG 3.7Å; Y75-P265 HydrophobicContact CE2-CB 4.11Å; Y75-P265 HydrophobicContact CE2-CG 3.89Å; Y75-P265 HydrophobicContact CG-CG 4.49Å; Y75-P265 VanDerWaalsContact CZ-CB 3.47Å; Y75-P265 WeakPolarHBondContact OH-CB 3.47Å; Y75-W266 AromaticContact CD1-CH2 3.66Å; Y75-W266 HydrophobicContact CD1-CH2 3.66Å; Y75-W266 AromaticContact CD1-CZ2 3.71Å; Y75-W266 HydrophobicContact CD1-CZ2 3.71Å; Y75-W266 AromaticContact CE1-CH2 3.96Å; Y75-W266 HydrophobicContact CE1-CH2 3.96Å; Y75-W266 HydrophobicContact CE1-CZ2 4.22Å
76G79.2Confident74.9Confident24 Ų2441.8 Ų41.825%0.24722%0.217CC..G310 helixtrans53.7-132.7175.700000112.4P26 A72 N73 R78 L79P26-G76 WeakPolarHBondContact CG-O 3.42Å; A72-G76 PolarHBondContact O-N 2.74Å; A72-G76 VanDerWaalsContact O-N 3.09Å; N73-G76 PolarHBondContact O-N 2.84Å; G76-R78 PolarHBondContact O-N 3.43Å; G76-R78 VanDerWaalsContact O-N 3.11Å; G76-L79 WeakPolarHBondContact O-CB 3.44Å; G76-L79 PolarHBondContact O-N 3.37Å; G76-L79 VanDerWaalsContact O-N 3.13Å
77N76.5Confident73.4Confident145 Ų14545 Ų4578%0.77523%0.227SC*.G310 helixtrans-63.4-15.9-176.6-67.2-19.7000114.6Y75 L79Y75-N77 PolarHBondContact O-N 3.07Å; N77-L79 VanDerWaalsContact C-N 3.32Å
78R70.4Confident72.4Confident52 Ų5246.6 Ų46.620%0.19623%0.231CC..G310 helixtrans-81.3-13.9178.3-58.7172.9-173.5-145.81113.2Y75 G76 V80 C144 T145 Q146 D148 W266Y75-R78 WeakPolarHBondContact O-CB 3.43Å; Y75-R78 PolarHBondContact O-N 3.46Å; G76-R78 PolarHBondContact O-N 3.43Å; G76-R78 VanDerWaalsContact O-N 3.11Å; R78-V80 PolarHBondContact O-N 2.76Å; R78-C144 VanDerWaalsContact O-CA 3.27Å; R78-C144 WeakPolarHBondContact O-CA 3.21Å; R78-T145 PolarHBondContact O-N 3.08Å; R78-Q146 PolarHBondContact NH1-O 3.48Å; R78-D148 VanDerWaalsContact CG-OD1 3.29Å; R78-D148 WeakPolarHBondContact CG-OD1 3.4Å; R78-D148 IonicContact CZ-OD2 2.74Å; R78-D148 VanDerWaalsContact CZ-OD2 3.22Å; R78-D148 IonicContact NE-OD1 3.86Å; R78-D148 PolarHBondContact NE-OD1 3.03Å; R78-D148 IonicContact NE-OD2 3.99Å; R78-D148 PolarHBondContact NE-OD2 2.92Å; R78-D148 IonicContact NH2-OD2 2.62Å; R78-D148 PolarHBondContact NH2-OD2 3.17Å; R78-W266 HydrophobicContact CB-CH2 4.44Å; R78-W266 HydrophobicContact CG-CH2 4.39Å
79L76.4Confident71.1Confident6 Ų647.9 Ų47.93%0.03124%0.24CC..EExtended strand (participates in β ladder)trans-65.8123173.8-176.366.5000108.7I25 P26 V28 A72 G76 N77 D81 L142I25-L79 HydrophobicContact CG2-CD2 4.08Å; P26-L79 HydrophobicContact CG-CB 4.38Å; P26-L79 HydrophobicContact CG-CD2 4.44Å; V28-L79 HydrophobicContact CG1-CB 4.47Å; V28-L79 HydrophobicContact CG1-CD2 4.45Å; V28-L79 HydrophobicContact CG1-CG 4.2Å; V28-L79 WeakPolarHBondContact CG1-O 3.19Å; V28-L79 HydrophobicContact CG2-CD2 3.76Å; V28-L79 HydrophobicContact CG2-CG 4.1Å; A72-L79 HydrophobicContact CB-CD2 3.87Å; G76-L79 WeakPolarHBondContact O-CB 3.44Å; G76-L79 PolarHBondContact O-N 3.37Å; G76-L79 VanDerWaalsContact O-N 3.13Å; N77-L79 VanDerWaalsContact C-N 3.32Å; L79-D81 WeakPolarHBondContact CD1-O 3.42Å; L79-L142 HydrophobicContact CD1-CB 4.31Å; L79-L142 HydrophobicContact CD1-CD2 4.15Å
80V74.5Confident69.3Low71 Ų7155.3 Ų55.343%0.4328%0.279SS..EExtended strand (participates in β ladder)trans-104.8-34-179.1-171.50000111.5P29 R78 I143 T145P29-V80 WeakPolarHBondContact CD-O 3.22Å; R78-V80 PolarHBondContact O-N 2.76Å; V80-I143 PolarHBondContact N-O 3.37Å; V80-T145 HydrophobicContact CG2-CG2 3.65Å
81D75.2Confident67.5Low52 Ų5260 Ų6028%0.27830%0.296SS..EExtended strand (participates in β ladder)trans-153.4152.3-178.3-160.5-6.9000111.7P29 L79 I143P29-D81 WeakPolarHBondContact CB-OD1 3.45Å; P29-D81 VanDerWaalsContact O-OD1 3.09Å; L79-D81 WeakPolarHBondContact CD1-O 3.42Å; D81-I143 HydrophobicContact CB-CB 4.05Å; D81-I143 HydrophobicContact CB-CD1 4.06Å; D81-I143 HydrophobicContact CB-CG1 4.23Å; D81-I143 PolarHBondContact N-O 3.09Å; D81-I143 PolarHBondContact O-N 3.26Å; D81-I143 VanDerWaalsContact O-N 3.15Å
82L76.8Confident65.8Low2 Ų261.6 Ų61.61%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-132.997.9176.7-175.8128.5000110.3V28 P29 G30 L34 I68 A72 C84V28-L82 HydrophobicContact CG2-CB 4.29Å; P29-L82 PolarHBondContact O-N 3.3Å; G30-L82 VanDerWaalsContact CA-O 3.26Å; G30-L82 WeakPolarHBondContact CA-O 3.38Å; G30-L82 WeakPolarHBondContact O-CD2 3.41Å; L34-L82 HydrophobicContact CB-CD2 4Å; I68-L82 HydrophobicContact CG2-CD1 3.85Å; A72-L82 HydrophobicContact CB-CD1 4.31Å; L82-C84 WeakPolarHBondContact CD2-SG 3.33Å
83L69.5Low63.3Low64 Ų6466.6 Ų66.634%0.33535%0.35SS..EExtended strand (participates in β ladder)trans-94.5118.5174.3-177.169.8000110.3V140 D141L83-V140 CarbonylContact O-C 3.54Å; L83-V140 VanDerWaalsContact O-CA 3.25Å; L83-V140 WeakPolarHBondContact O-CA 3.19Å; L83-D141 HydrophobicContact CB-CB 4.13Å; L83-D141 PolarHBondContact N-O 3.49Å; L83-D141 PolarHBondContact O-N 2.99Å
84C63.8Low60.7Low0 Ų069.2 Ų69.20%037%0.367CS..EExtended strand (participates in β ladder)trans-123.1135.8175.6-55.20000113.3R33 L82 Y86 V140R33-C84 PolarHBondContact NE-O 3.45Å; R33-C84 PolarHBondContact NH2-O 3.32Å; L82-C84 WeakPolarHBondContact CD2-SG 3.33Å; C84-Y86 HydrophobicContact CB-CD2 4.08Å; C84-Y86 HydrophobicContact CB-CE1 4.43Å; C84-Y86 HydrophobicContact CB-CE2 3.1Å; C84-Y86 WeakPolarHBondContact CB-OH 3.22Å; C84-Y86 PolarHBondContact SG-OH 2.91Å; C84-V140 HydrophobicContact CB-CG2 4.06Å; C84-V140 VanDerWaalsContact SG-CG1 3.57Å
85R58Low58.2Low157 Ų15775.1 Ų75.159%0.59240%0.397SS*.EExtended strand (participates in β ladder)trans-119.9122.1172.8-61.3-175.7-177.4-169.61.5109.8L138 L139R85-L138 WeakPolarHBondContact O-CD1 3.07Å; R85-L139 PolarHBondContact N-O 2.91Å; R85-L139 PolarHBondContact O-N 2.76Å
86Y58.8Low55.8Low32 Ų3279.8 Ų79.813%0.12543%0.431CS..  trans-125.8157.1-178.7-45-104.7000111.6L34 M37 F65 I68 C84 L138L34-Y86 WeakPolarHBondContact CD1-OH 3.32Å; M37-Y86 HydrophobicContact CB-CD2 4.19Å; M37-Y86 HydrophobicContact CB-CE2 4.17Å; M37-Y86 HydrophobicContact CB-CG 4.47Å; M37-Y86 HydrophobicContact CE-CD2 3.81Å; M37-Y86 HydrophobicContact CE-CG 3.88Å; M37-Y86 HydrophobicContact CG-CD2 3.64Å; M37-Y86 HydrophobicContact CG-CE2 3.8Å; M37-Y86 HydrophobicContact CG-CG 4.28Å; F65-Y86 HydrophobicContact CD1-CD1 4.33Å; F65-Y86 AromaticContact CD1-CE1 3.64Å; F65-Y86 HydrophobicContact CD1-CE1 3.64Å; F65-Y86 AromaticContact CE1-CD1 3.47Å; F65-Y86 HydrophobicContact CE1-CD1 3.47Å; F65-Y86 VanDerWaalsContact CE1-CD1 3.47Å; F65-Y86 AromaticContact CE1-CE1 3.14Å; F65-Y86 HydrophobicContact CE1-CE1 3.14Å; F65-Y86 HydrophobicContact CE1-CG 4.48Å; F65-Y86 AromaticContact CE1-CZ 3.77Å; F65-Y86 HydrophobicContact CZ-CD1 4.09Å; F65-Y86 HydrophobicContact CZ-CE1 4.18Å; I68-Y86 HydrophobicContact CD1-CE1 4.21Å; C84-Y86 HydrophobicContact CB-CD2 4.08Å; C84-Y86 HydrophobicContact CB-CE1 4.43Å; C84-Y86 HydrophobicContact CB-CE2 3.1Å; C84-Y86 WeakPolarHBondContact CB-OH 3.22Å; C84-Y86 PolarHBondContact SG-OH 2.91Å; Y86-L138 HydrophobicContact CD1-CD1 2.96Å; Y86-L138 HydrophobicContact CD1-CD2 4.19Å; Y86-L138 HydrophobicContact CD1-CG 4.18Å; Y86-L138 HydrophobicContact CD2-CD1 4.47Å; Y86-L138 HydrophobicContact CE1-CD1 3.42Å; Y86-L138 VanDerWaalsContact CE1-CD1 3.42Å; Y86-L138 HydrophobicContact CE1-CD2 3.93Å; Y86-L138 HydrophobicContact CE1-CG 4.25Å; Y86-L138 HydrophobicContact CG-CD1 3.48Å; Y86-L138 VanDerWaalsContact CG-CD1 3.48Å
87R51.6Low53.3Low144 Ų14483.9 Ų83.954%0.54346%0.456SS..  trans-125.4129.8164.8-159.2177.3-176161.6-12.7109.8D136 R181R87-D136 HydrophobicContact CB-CB 4.49Å; R87-D136 WeakPolarHBondContact CD-OD2 3.28Å; R87-D136 IonicContact CZ-OD2 3.46Å; R87-D136 IonicContact NE-OD2 2.87Å; R87-D136 PolarHBondContact NE-OD2 3.03Å; R87-D136 IonicContact NH1-OD1 3.22Å; R87-D136 IonicContact NH1-OD2 3.89Å; R87-D136 PolarHBondContact NH1-OD2 3.48Å; R87-D136 IonicContact NH2-OD2 3.64Å; R87-R181 PolarHBondContact O-NH2 3.49Å
88L53Low50.9Low60 Ų6084.2 Ų84.231%0.31446%0.458SS..PPolyproline II helixtrans-70.3151.8178.1-68.7154.6000110.4K40K40-L88 HydrophobicContact CD-CD1 3.75Å; K40-L88 HydrophobicContact CD-CD2 4.2Å; K40-L88 HydrophobicContact CG-CD1 4.42Å; K40-L88 HydrophobicContact CG-CD2 4.13Å
89P51.4Low48.7Very low32 Ų3289.9 Ų89.921%0.20849%0.486CS..PPolyproline II helixtrans-53.9150.5166.2-20.432.4000111E91P89-E91 PolarHBondContact O-N 3.3Å
90L47.3Very low46.3Very low158 Ų15895.3 Ų95.383%0.82752%0.519SS*.PPolyproline II helixtrans-62.1130.1177.5-121.285.8000109.5S92L90-S92 PolarHBondContact O-N 3.25Å
91E43Very low43.9Very low162 Ų16299.5 Ų99.576%0.75753%0.534SS*.PPolyproline II helixtrans-61.1121.1162.2-74.5172.3-177.300107.4P89 A93P89-E91 PolarHBondContact O-N 3.3Å; E91-A93 PolarHBondContact O-N 3.18Å; E91-A93 VanDerWaalsContact O-N 3.12Å
92S39.2Very low41.4Very low41 Ų41104.2 Ų104.229%0.28756%0.555SS.*PPolyproline II helixtrans-56.8120.3172.855.20000108L90 V94L90-S92 PolarHBondContact O-N 3.25Å; S92-V94 PolarHBondContact O-N 3.15Å
93A28.1Very low38.9Very low106 Ų106111.2 Ų111.288%0.87659%0.585SS**  trans-67.872.2164.400000108.6E91E91-A93 PolarHBondContact O-N 3.18Å; E91-A93 VanDerWaalsContact O-N 3.12Å
94V28.9Very low36.9Very low105 Ų105116.2 Ų116.264%0.63661%0.613SS**  trans-106.168.3163-174.20000105.2S92S92-V94 PolarHBondContact O-N 3.15Å
95N25.2Very low35Very low150 Ų150122 Ų12280%0.80264%0.643SS**  trans-94.9129.2150.9-88.9-17000106.5
96S26.1Very low33.5Very low112 Ų112121.4 Ų121.478%0.78365%0.652SS**  trans62.7103.4157.964.80000118.3
97S26.3Very low32.1Very low111 Ų111126.3 Ų126.378%0.77668%0.68SS**  -170.483.2119.761.40000110.5
98D24.8Very low30.8Very low151 Ų151125.9 Ų125.981%0.80769%0.689SS**  trans-14964.3143.5-93.9-23.1000107.5V100D98-V100 PolarHBondContact O-N 3.42Å
99H25.4Very low29.6Very low171 Ų171129.8 Ų129.879%0.79271%0.71SS**  trans-85.979.5143.3-92.5-65.9000106.6Q101H99-Q101 VanDerWaalsContact C-N 3.28Å
100V25.9Very low28.6Very low120 Ų120135.9 Ų135.973%0.72774%0.741SS**  trans-91.276.8151.1-177.60000106.2D98D98-V100 PolarHBondContact O-N 3.42Å
101Q24Very low27.6Very low159 Ų159137.9 Ų137.974%0.74375%0.746SS**  trans-106.3102.9143.8-76.5-178.8-25.600102.3H99H99-Q101 VanDerWaalsContact C-N 3.28Å
102Q22.5Very low26.9Very low151 Ų151134.9 Ų134.971%0.70674%0.743SS**  40.9117.680.9-128.1-178.813.400112.5
103F24.4Very low26.3Very low149 Ų149140.2 Ų140.265%0.65477%0.768SS**  trans83.590.5170.9-54.7-79.1000116.9
104D26.8Very low26.3Very low170 Ų170139.4 Ų139.491%0.90976%0.762SS**  -126.6135.7108.2-88.5-35.5000108.1
105D24.7Very low26.3Very low120 Ų120139.5 Ų139.564%0.64276%0.762SS**  trans-66162.7-173.4-70.2-55.6000113.6
106D26.7Very low26.3Very low146 Ų146138.1 Ų138.178%0.78176%0.764SS**  trans85.1124.9151.8-62.6-30.1000121.3
107D28Very low26.5Very low134 Ų134137.1 Ų137.172%0.71776%0.757SS**  trans81.4104.2146.2-74.1-37.1000121.4
108N25.8Very low26.7Very low136 Ų136138.1 Ų138.173%0.72775%0.753SS**  45.6126.8120.6-71.7-48.8000119.6
109N27.2Very low26.8Very low142 Ų142139 Ų13976%0.75976%0.758SS**  trans78.594.7158.5-58.9-33.5000118.1
110N30.3Very low27.1Very low160 Ų160134.1 Ų134.186%0.85675%0.747SS**  176.7112.8105.3-88.9-33.2000111.6S112N110-S112 PolarHBondContact O-N 2.96Å
111H27.2Very low27.2Very low199 Ų199135.1 Ų135.192%0.92175%0.747SS**  trans-69.5108.3169.2-76.9-77.8000111
112S26.8Very low27.5Very low100 Ų100137.4 Ų137.470%0.69976%0.757SS**  trans-164.214613948.70000111N110N110-S112 PolarHBondContact O-N 2.96Å
113N28.3Very low27.8Very low152 Ų152134.2 Ų134.281%0.81375%0.751SS**  trans85.455.8173.9-51.9-20.7000117.1V115N113-V115 PolarHBondContact O-N 3.35Å
114A27.7Very low28.1Very low90 Ų90132.4 Ų132.474%0.74475%0.748SS**  trans-59113137.700000108.2
115V28.5Very low28.6Very low106 Ų106129.9 Ų129.964%0.64274%0.744SS**  57.376.193.8-175.50000111.3N113 L118N113-V115 PolarHBondContact O-N 3.35Å; V115-L118 HydrophobicContact CG1-CB 4.38Å; V115-L118 HydrophobicContact CG1-CD1 3.78Å
116S26Very low29Very low121 Ų121128.8 Ų128.885%0.84674%0.738SS**SBendtrans-110.814.2161.454.20000112.6
117S30Very low29.6Very low91 Ų91125.9 Ų125.964%0.63672%0.723SS**SBendtrans-105-8.7-172.7-36.60000115.1
118L29.1Very low29.9Very low132 Ų132124.3 Ų124.369%0.69171%0.707SS**THydrogen-bonded Turntrans-90.7-7.2-169.8-96139.9000115.5V115V115-L118 HydrophobicContact CG1-CB 4.38Å; V115-L118 HydrophobicContact CG1-CD1 3.78Å
119N28Very low30.3Very low171 Ų171123 Ų12391%0.91470%0.7SS**THydrogen-bonded Turntrans-95.814.2173.8-80.3-10.3000114.5
120A30.6Very low30.7Very low67 Ų67120.6 Ų120.655%0.55469%0.686SS**SBendtrans-107.9-4.1-179.700000115.7
121I29.8Very low30.9Very low142 Ų142123.3 Ų123.373%0.72869%0.685SS**THydrogen-bonded Turntrans-93.2-1.8-173.4-56.2179.4000113.3S123I121-S123 PolarHBondContact O-N 2.98Å; I121-S123 VanDerWaalsContact O-N 3.12Å
122H29.1Very low31.4Very low207 Ų207115.9 Ų115.996%0.95866%0.655SS**THydrogen-bonded Turntrans-75.111.4167.9-89.5-59.7000114.8
123S28.6Very low32.1Very low83 Ų83118 Ų11858%0.5865%0.654SS**SBendtrans-142.281.9172.456.70000111.1I121I121-S123 PolarHBondContact O-N 2.98Å; I121-S123 VanDerWaalsContact O-N 3.12Å
124N30.9Very low32.6Very low112 Ų112119.7 Ų119.760%0.59965%0.654SS**  trans170.979.8142.6-88.6-16.6000111.1N126 D127N124-N126 PolarHBondContact O-N 2.97Å; N124-D127 PolarHBondContact O-N 3.36Å
125S36.9Very low33.3Very low117 Ų117119.5 Ų119.582%0.81864%0.637SS**THydrogen-bonded Turntrans-62.62158.743.10000113.7
126N33.9Very low34.1Very low97 Ų97117.5 Ų117.552%0.51962%0.623SS.*THydrogen-bonded Turntrans-95.2-7.5179.3-75.4-23.7000114.4N124 L129 L130N124-N126 PolarHBondContact O-N 2.97Å; N126-L129 PolarHBondContact O-N 3.18Å; N126-L130 PolarHBondContact O-N 3.23Å
127D38.4Very low35.2Very low85 Ų85115 Ų11546%0.45561%0.606SS.*Hα-helixtrans-76.8-26.5-171.1-12722.6000113.7N124 L129 L130 R131N124-D127 PolarHBondContact O-N 3.36Å; D127-L129 VanDerWaalsContact C-N 3.33Å; D127-L130 PolarHBondContact O-N 2.62Å; D127-R131 PolarHBondContact O-N 3.44Å
128Y34.8Very low36.2Very low100 Ų100110.7 Ų110.739%0.39258%0.576SS.*Hα-helixtrans-68.4-34.7174.8-150.3-94.8000111.9L52 D55 R131L52-Y128 HydrophobicContact CD2-CE2 3.66Å; D55-Y128 HydrophobicContact CB-CD1 4.37Å; Y128-R131 PolarHBondContact O-N 3.19Å
129L34.5Very low37.4Very low108 Ų108106.4 Ų106.457%0.56555%0.553SS**Hα-helixtrans-69.2-34.3177.3-68.5172.5000112.1N126 D127 C132N126-L129 PolarHBondContact O-N 3.18Å; D127-L129 VanDerWaalsContact C-N 3.33Å; L129-C132 PolarHBondContact O-N 3.36Å
130L36.2Very low38.7Very low92 Ų9298.3 Ų98.348%0.48251%0.51SS..Hα-helixtrans-67.7-34.9176.6-79.3156.6000112.3N126 D127 C132 E133N126-L130 PolarHBondContact O-N 3.23Å; D127-L130 PolarHBondContact O-N 2.62Å; L130-C132 PolarHBondContact O-N 2.85Å; L130-E133 VanDerWaalsContact O-CG 3.28Å; L130-E133 WeakPolarHBondContact O-CG 3.39Å; L130-E133 PolarHBondContact O-N 2.9Å
131R34.2Very low40.2Very low217 Ų21796 Ų9682%0.81949%0.488SS*.Hα-helixtrans-68.8-15.7176.2-71.6-171.8-174.8-166.92.9114D127 Y128 E133D127-R131 PolarHBondContact O-N 3.44Å; Y128-R131 PolarHBondContact O-N 3.19Å; R131-E133 VanDerWaalsContact C-N 3.27Å; R131-E133 PolarHBondContact O-N 3.22Å
132C36.8Very low41.6Very low43 Ų4389.3 Ų89.329%0.29145%0.454SS..THydrogen-bonded Turntrans-84.317.9174-91.80000114.2L129 L130 K134 Q135L129-C132 PolarHBondContact O-N 3.36Å; L130-C132 PolarHBondContact O-N 2.85Å; C132-K134 PolarHBondContact O-N 3.32Å; C132-Q135 HydrophobicContact CB-CG 4.43Å; C132-Q135 VanDerWaalsContact O-CG 3.32Å; C132-Q135 WeakPolarHBondContact O-CG 3.39Å; C132-Q135 PolarHBondContact O-N 3.26Å
133E41.5Very low43.2Very low145 Ų14582.2 Ų82.268%0.67842%0.422SS*.  trans-57.2-22.6-176.5-92.2178.8-179.100115.5L130 R131 Q135L130-E133 VanDerWaalsContact O-CG 3.28Å; L130-E133 WeakPolarHBondContact O-CG 3.39Å; L130-E133 PolarHBondContact O-N 2.9Å; R131-E133 VanDerWaalsContact C-N 3.27Å; R131-E133 PolarHBondContact O-N 3.22Å; E133-Q135 PolarHBondContact O-N 3.33Å
134K39.5Very low44.6Very low188 Ų18878.3 Ų78.382%0.81740%0.395SS*.  trans-99.359.4172.5-69.8-175.3-179.2175.60113C132 D136C132-K134 PolarHBondContact O-N 3.32Å; K134-D136 PolarHBondContact O-N 2.97Å
135Q42.6Very low45.9Very low86 Ų8674.8 Ų74.840%0.40238%0.378SS..  trans-73.693.9170.4-84.6165.69.500111.3C132 E133 R185C132-Q135 HydrophobicContact CB-CG 4.43Å; C132-Q135 VanDerWaalsContact O-CG 3.32Å; C132-Q135 WeakPolarHBondContact O-CG 3.39Å; C132-Q135 PolarHBondContact O-N 3.26Å; E133-Q135 PolarHBondContact O-N 3.33Å; Q135-R185 VanDerWaalsContact CB-NH1 3.29Å; Q135-R185 PolarHBondContact O-NH1 2.98Å
136D43.7Very low46.6Very low63 Ų6373.4 Ų73.434%0.33736%0.358SS..PPolyproline II helixtrans-67.4156.9178.8-68-61.9000113.9R87 K134 R181R87-D136 HydrophobicContact CB-CB 4.49Å; R87-D136 WeakPolarHBondContact CD-OD2 3.28Å; R87-D136 IonicContact CZ-OD2 3.46Å; R87-D136 IonicContact NE-OD2 2.87Å; R87-D136 PolarHBondContact NE-OD2 3.03Å; R87-D136 IonicContact NH1-OD1 3.22Å; R87-D136 IonicContact NH1-OD2 3.89Å; R87-D136 PolarHBondContact NH1-OD2 3.48Å; R87-D136 IonicContact NH2-OD2 3.64Å; K134-D136 PolarHBondContact O-N 2.97Å; D136-R181 WeakPolarHBondContact O-CD 3.12Å; D136-R181 PolarHBondContact O-NE 3.26Å; D136-R181 PolarHBondContact O-NH1 3.36Å
137S50.7Low47.5Very low70 Ų7071.7 Ų71.749%0.4935%0.354SS..PPolyproline II helixtrans-83.6150.3-17755.40000114.3
138L50.8Low47.9Very low0 Ų071.4 Ų71.40%035%0.352CS..EExtended strand (participates in β ladder)trans-87.2135.9164.6-172.273.4000111.2Y64 I68 R85 Y86 V140 V179 T180Y64-L138 VanDerWaalsContact CB-CD2 3.48Å; Y64-L138 HydrophobicContact CD2-CD2 4.5Å; Y64-L138 HydrophobicContact CG-CD2 4.07Å; I68-L138 HydrophobicContact CD1-CD2 4.05Å; R85-L138 WeakPolarHBondContact O-CD1 3.07Å; Y86-L138 HydrophobicContact CD1-CD1 2.96Å; Y86-L138 HydrophobicContact CD1-CD2 4.19Å; Y86-L138 HydrophobicContact CD1-CG 4.18Å; Y86-L138 HydrophobicContact CD2-CD1 4.47Å; Y86-L138 HydrophobicContact CE1-CD1 3.42Å; Y86-L138 VanDerWaalsContact CE1-CD1 3.42Å; Y86-L138 HydrophobicContact CE1-CD2 3.93Å; Y86-L138 HydrophobicContact CE1-CG 4.25Å; Y86-L138 HydrophobicContact CG-CD1 3.48Å; Y86-L138 VanDerWaalsContact CG-CD1 3.48Å; L138-V140 HydrophobicContact CD2-CG2 4.26Å; L138-V140 HydrophobicContact CG-CG2 4.31Å; L138-V179 WeakPolarHBondContact O-CA 3.46Å; L138-T180 WeakPolarHBondContact CB-O 3.45Å; L138-T180 PolarHBondContact O-N 2.83Å
139L54.8Low48.3Very low42 Ų4276.1 Ų76.122%0.2238%0.378CS..EExtended strand (participates in β ladder)trans-128.8128.1176.6-158.8133.6000111.2R85 V178 V179R85-L139 PolarHBondContact N-O 2.91Å; R85-L139 PolarHBondContact O-N 2.76Å; L139-V178 WeakPolarHBondContact CA-O 3.38Å; L139-V179 HydrophobicContact CD1-CG2 4.04Å; L139-V179 HydrophobicContact CG-CG2 4.35Å
140V55.4Low48.5Very low1 Ų173.5 Ų73.51%0.00638%0.377CS..EExtended strand (participates in β ladder)trans-133.5130.4180179.30000110.2I68 L83 C84 L138 L142 K177 V178I68-V140 HydrophobicContact CD1-CG2 3.6Å; I68-V140 HydrophobicContact CG1-CG1 4.4Å; I68-V140 HydrophobicContact CG1-CG2 4.01Å; I68-V140 HydrophobicContact CG2-CG1 4.46Å; L83-V140 CarbonylContact O-C 3.54Å; L83-V140 VanDerWaalsContact O-CA 3.25Å; L83-V140 WeakPolarHBondContact O-CA 3.19Å; C84-V140 HydrophobicContact CB-CG2 4.06Å; C84-V140 VanDerWaalsContact SG-CG1 3.57Å; L138-V140 HydrophobicContact CD2-CG2 4.26Å; L138-V140 HydrophobicContact CG-CG2 4.31Å; V140-L142 HydrophobicContact CG1-CD1 3.83Å; V140-K177 CarbonylContact O-C 3.57Å; V140-V178 HydrophobicContact CB-CB 4.28Å; V140-V178 PolarHBondContact N-O 3.3Å; V140-V178 PolarHBondContact O-N 3.16Å
141D61.8Low48.7Very low19 Ų1977.2 Ų77.210%0.10240%0.396CS..EExtended strand (participates in β ladder)trans-109.2128.5171.2-54.3-36.4000109.9L83 I176 K177L83-D141 HydrophobicContact CB-CB 4.13Å; L83-D141 PolarHBondContact N-O 3.49Å; L83-D141 PolarHBondContact O-N 2.99Å; D141-I176 CarbonylContact C-O 3.58Å; D141-I176 WeakPolarHBondContact CA-O 3.09Å; D141-K177 WeakPolarHBondContact OD1-CG 3.3Å
142L58.6Low48.9Very low1 Ų172 Ų721%0.00538%0.384CS..EExtended strand (participates in β ladder)trans-109.2136.6170.2-63.784.3000109.2L71 Y75 L79 V140 I176 V178L71-L142 HydrophobicContact CB-CD2 4.17Å; Y75-L142 HydrophobicContact CD2-CD2 4.23Å; Y75-L142 HydrophobicContact CE2-CD2 4.48Å; L79-L142 HydrophobicContact CD1-CB 4.31Å; L79-L142 HydrophobicContact CD1-CD2 4.15Å; V140-L142 HydrophobicContact CG1-CD1 3.83Å; L142-I176 HydrophobicContact CB-CB 4.21Å; L142-I176 HydrophobicContact CB-CD1 4.32Å; L142-I176 PolarHBondContact N-O 3.36Å; L142-I176 PolarHBondContact O-N 3.17Å; L142-V178 HydrophobicContact CD1-CG2 4.06Å
143I62.3Low48.9Very low57 Ų5775.3 Ų75.329%0.29240%0.399SS..EExtended strand (participates in β ladder)trans-115.3123.5173.7-54.7178.8000108.4V80 D81 A173 L174V80-I143 PolarHBondContact N-O 3.37Å; D81-I143 HydrophobicContact CB-CB 4.05Å; D81-I143 HydrophobicContact CB-CD1 4.06Å; D81-I143 HydrophobicContact CB-CG1 4.23Å; D81-I143 PolarHBondContact N-O 3.09Å; D81-I143 PolarHBondContact O-N 3.26Å; D81-I143 VanDerWaalsContact O-N 3.15Å; I143-A173 HydrophobicContact CG2-CB 4.14Å; I143-L174 WeakPolarHBondContact CA-O 3.22Å
144C58.5Low48.8Very low1 Ų177 Ų771%0.00740%0.404CS..EExtended strand (participates in β ladder)trans-131.6149.7-177.3-51.60000112.3Y75 R78 A173 L174Y75-C144 HydrophobicContact CD1-CB 3.9Å; Y75-C144 WeakPolarHBondContact CD1-SG 3.05Å; Y75-C144 HydrophobicContact CE1-CB 4.16Å; Y75-C144 HydrophobicContact CG-CB 4.49Å; Y75-C144 VanDerWaalsContact CG-SG 3.53Å; R78-C144 VanDerWaalsContact O-CA 3.27Å; R78-C144 WeakPolarHBondContact O-CA 3.21Å; C144-A173 CarbonylContact O-C 3.56Å; C144-A173 WeakPolarHBondContact O-CA 3.24Å; C144-L174 PolarHBondContact N-O 2.86Å; C144-L174 VanDerWaalsContact N-O 3.09Å; C144-L174 PolarHBondContact O-N 3.45Å
145T57.9Low48.8Very low38 Ų3871.9 Ų71.923%0.23339%0.392CS..  trans-86.3153.3168.959.80000111.8R78 V80 S147R78-T145 PolarHBondContact O-N 3.08Å; V80-T145 HydrophobicContact CG2-CG2 3.65Å; T145-S147 PolarHBondContact OG1-O 3.41Å
146Q52.2Low48.6Very low88 Ų8877 Ų7741%0.41141%0.408SS..SBendtrans-74.4-24.2169.4-80.8-171.83.200113.5R78 P172 W224R78-Q146 PolarHBondContact NH1-O 3.48Å; Q146-P172 HydrophobicContact CB-CG 3.99Å; Q146-P172 HydrophobicContact CG-CB 4.31Å; Q146-P172 HydrophobicContact CG-CG 3.66Å; Q146-W224 PolarHBondContact NE2-O 2.5Å
147S52.3Low48Very low62 Ų6278.3 Ų78.343%0.43442%0.422SS..  trans-101.2122.6-177.554.70000111.7T145T145-S147 PolarHBondContact OG1-O 3.41Å
148D46.4Very low47.4Very low78 Ų7885.2 Ų85.242%0.41744%0.437SS..  trans-69.9126148-92.5-42000105.7R78 G150R78-D148 VanDerWaalsContact CG-OD1 3.29Å; R78-D148 WeakPolarHBondContact CG-OD1 3.4Å; R78-D148 IonicContact CZ-OD2 2.74Å; R78-D148 VanDerWaalsContact CZ-OD2 3.22Å; R78-D148 IonicContact NE-OD1 3.86Å; R78-D148 PolarHBondContact NE-OD1 3.03Å; R78-D148 IonicContact NE-OD2 3.99Å; R78-D148 PolarHBondContact NE-OD2 2.92Å; R78-D148 IonicContact NH2-OD2 2.62Å; R78-D148 PolarHBondContact NH2-OD2 3.17Å; D148-G150 VanDerWaalsContact C-N 3.33Å; D148-G150 PolarHBondContact O-N 3.35Å
149E44.1Very low46.6Very low199 Ų19988 Ų8893%0.9346%0.457SS*.SBendtrans-61.899.7165.1-70.4-172.115500109.4
150G38Very low46Very low53 Ų5389.1 Ų89.155%0.54647%0.468SS..  trans95.9105.3150.200000118.1D148D148-G150 VanDerWaalsContact C-N 3.33Å; D148-G150 PolarHBondContact O-N 3.35Å
151I39.9Very low45.3Very low170 Ų17094.7 Ų94.787%0.87249%0.489SS*.SBendtrans-121.5-34138.5-64.2-178.4000110.8
152D38.1Very low44.3Very low109 Ų10994.5 Ų94.558%0.58349%0.492SS*.  trans-123.2127.4-179.3-87-35.4000114.1F154 S155D152-F154 PolarHBondContact O-N 3.42Å; D152-F154 VanDerWaalsContact O-N 3.12Å; D152-S155 WeakPolarHBondContact O-CB 3.36Å; D152-S155 PolarHBondContact O-N 3.36Å; D152-S155 PolarHBondContact O-OG 3.18Å
153D37.4Very low43.5Very low111 Ų11199.2 Ų99.259%0.59452%0.517SS*.Hα-helixtrans-54.3-26.4170.5-83.4-37.4000112.3S155 R156D153-S155 VanDerWaalsContact C-N 3.26Å; D153-S155 PolarHBondContact O-N 3.39Å; D153-R156 VanDerWaalsContact O-CB 3.31Å; D153-R156 WeakPolarHBondContact O-CB 3.38Å; D153-R156 PolarHBondContact O-N 3.02Å; D153-R156 VanDerWaalsContact O-N 3.11Å; D153-R156 WeakPolarHBondContact OD1-CD 3.43Å; D153-R156 IonicContact OD1-CZ 3.64Å; D153-R156 VanDerWaalsContact OD1-CZ 3.32Å; D153-R156 IonicContact OD1-NE 2.83Å; D153-R156 IonicContact OD1-NH1 2.78Å; D153-R156 PolarHBondContact OD1-NH1 3.22Å
154F39.4Very low42.4Very low181 Ų18198.2 Ų98.279%0.79452%0.518SS*.Hα-helixtrans-64.1-26.3175-89.3-83.1000114D152 R156 S157D152-F154 PolarHBondContact O-N 3.42Å; D152-F154 VanDerWaalsContact O-N 3.12Å; F154-R156 VanDerWaalsContact C-N 3.33Å; F154-S157 PolarHBondContact O-OG 3.04Å
155S40.6Very low41.5Very low80 Ų80103.4 Ų103.456%0.55956%0.56SS**Hα-helixtrans-77.1-20.5175.169.10000112.8D152 D153 S157D152-S155 WeakPolarHBondContact O-CB 3.36Å; D152-S155 PolarHBondContact O-N 3.36Å; D152-S155 PolarHBondContact O-OG 3.18Å; D153-S155 VanDerWaalsContact C-N 3.26Å; D153-S155 PolarHBondContact O-N 3.39Å; S155-S157 VanDerWaalsContact C-N 3.26Å; S155-S157 PolarHBondContact O-N 3.04Å
156R37.3Very low40.5Very low194 Ų194107.3 Ų107.373%0.73258%0.576SS**Hα-helixtrans-67-27.4174.4-65.9178.1166.7170.6-9.2112.2D153 F154D153-R156 VanDerWaalsContact O-CB 3.31Å; D153-R156 WeakPolarHBondContact O-CB 3.38Å; D153-R156 PolarHBondContact O-N 3.02Å; D153-R156 VanDerWaalsContact O-N 3.11Å; D153-R156 WeakPolarHBondContact OD1-CD 3.43Å; D153-R156 IonicContact OD1-CZ 3.64Å; D153-R156 VanDerWaalsContact OD1-CZ 3.32Å; D153-R156 IonicContact OD1-NE 2.83Å; D153-R156 IonicContact OD1-NH1 2.78Å; D153-R156 PolarHBondContact OD1-NH1 3.22Å; F154-R156 VanDerWaalsContact C-N 3.33Å
157S32.2Very low39.9Very low91 Ų91104.2 Ų104.264%0.63657%0.566SS**THydrogen-bonded Turntrans-85.4-16.1-173.268.80000114.5F154 S155 S159F154-S157 PolarHBondContact O-OG 3.04Å; S155-S157 VanDerWaalsContact C-N 3.26Å; S155-S157 PolarHBondContact O-N 3.04Å; S157-S159 PolarHBondContact O-N 3.48Å
158R36.6Very low39.2Very low214 Ų214107.6 Ų107.681%0.80858%0.579SS**  trans-75.773.8165.4-75.5-171.4-176.5-169.42.1108.7C160R158-C160 PolarHBondContact O-N 2.93Å
159S35.5Very low38.7Very low60 Ų60110.8 Ų110.842%0.4260%0.595SS.*  trans-52.9113.316562.30000108.1S157 Y161S157-S159 PolarHBondContact O-N 3.48Å; S159-Y161 WeakPolarHBondContact O-CD2 3.45Å; S159-Y161 WeakPolarHBondContact O-CE2 3.24Å; S159-Y161 PolarHBondContact O-N 2.99Å; S159-Y161 VanDerWaalsContact OG-CZ 3.26Å; S159-Y161 PolarHBondContact OG-OH 2.9Å
160C41.2Very low38.3Very low65 Ų65110.3 Ų110.344%0.43959%0.585SS.*  trans-68105.9-178.7-68.40000109.8R158 G162R158-C160 PolarHBondContact O-N 2.93Å; C160-G162 VanDerWaalsContact C-N 3.33Å; C160-G162 PolarHBondContact O-N 2.75Å
161Y40.1Very low38.5Very low117 Ų117108.7 Ų108.746%0.45957%0.566SS.*  trans-75.979.5177.4-58-75.2000111S159 K480S159-Y161 WeakPolarHBondContact O-CD2 3.45Å; S159-Y161 WeakPolarHBondContact O-CE2 3.24Å; S159-Y161 PolarHBondContact O-N 2.99Å; S159-Y161 VanDerWaalsContact OG-CZ 3.26Å; S159-Y161 PolarHBondContact OG-OH 2.9Å; Y161-K480 HydrophobicContact CD1-CG 4.22Å
162G41.2Very low39Very low15 Ų15102.4 Ų102.416%0.15554%0.536CS..  trans-104.7171174.900000113.8C160 A164 K480C160-G162 VanDerWaalsContact C-N 3.33Å; C160-G162 PolarHBondContact O-N 2.75Å; G162-A164 PolarHBondContact O-N 2.82Å; G162-A164 VanDerWaalsContact O-N 3.12Å; G162-K480 WeakPolarHBondContact O-CE 3.29Å; G162-K480 PolarHBondContact O-NZ 2.89Å
163N41.6Very low39.5Very low100 Ų100100.4 Ų100.454%0.53554%0.535SS..SBendtrans-62.8-15.2179.4-70.1-6.8000114.7Y481N163-Y481 WeakPolarHBondContact CA-OH 3.42Å; N163-Y481 WeakPolarHBondContact OD1-CE1 3.39Å
164A39.9Very low40.3Very low37 Ų3797.4 Ų97.431%0.30652%0.519SS..SBendtrans-102.9133.4178.100000110.2G162 E166 A167G162-A164 PolarHBondContact O-N 2.82Å; G162-A164 VanDerWaalsContact O-N 3.12Å; A164-E166 PolarHBondContact O-N 3.01Å; A164-A167 PolarHBondContact O-N 2.75Å
165A39.2Very low41Very low109 Ų10994.6 Ų94.690%0.90150%0.503SS*.THydrogen-bonded Turntrans-60.5-19166.700000112
166E36.7Very low41.7Very low120 Ų12091.6 Ų91.656%0.56148%0.481SS*.THydrogen-bonded Turntrans-10522.7-179.5-64.4178.1-175.100113A164 N168 L169 W170A164-E166 PolarHBondContact O-N 3.01Å; E166-N168 PolarHBondContact O-N 2.93Å; E166-L169 HydrophobicContact CB-CD1 4.18Å; E166-L169 HydrophobicContact CG-CD1 4.32Å; E166-L169 WeakPolarHBondContact O-CB 3.45Å; E166-L169 PolarHBondContact O-N 2.87Å; E166-W170 PolarHBondContact O-N 2.93Å
167A40.6Very low42.7Very low24 Ų2485.9 Ų85.920%0.19846%0.461CS..THydrogen-bonded Turntrans-54-25-17600000114.1A164 W170 A171A164-A167 PolarHBondContact O-N 2.75Å; A167-W170 CarbonylContact O-C 3.53Å; A167-W170 PolarHBondContact O-N 3.3Å; A167-A171 PolarHBondContact O-N 2.88Å; A167-A171 VanDerWaalsContact O-N 3.08Å
168N37.3Very low43.8Very low133 Ų13382.5 Ų82.571%0.71144%0.437SS*.THydrogen-bonded Turntrans-66.4-36.5173.6-62.3-10.4000112.8E166 W170 A171E166-N168 PolarHBondContact O-N 2.93Å; N168-W170 VanDerWaalsContact C-N 3.26Å; N168-A171 PolarHBondContact O-N 3.22Å
169L36.4Very low44.8Very low144 Ų14473.7 Ų73.775%0.75441%0.406SS*.THydrogen-bonded Turntrans-75-20.7174.7-69.5165.3000111.9E166E166-L169 HydrophobicContact CB-CD1 4.18Å; E166-L169 HydrophobicContact CG-CD1 4.32Å; E166-L169 WeakPolarHBondContact O-CB 3.45Å; E166-L169 PolarHBondContact O-N 2.87Å
170W36.4Very low45.7Very low189 Ų18972.3 Ų72.372%0.71640%0.396SS*.THydrogen-bonded Turntrans-105.930.3175-68.643.6000110.9E166 A167 N168E166-W170 PolarHBondContact O-N 2.93Å; A167-W170 CarbonylContact O-C 3.53Å; A167-W170 PolarHBondContact O-N 3.3Å; N168-W170 VanDerWaalsContact C-N 3.26Å
171A42.1Very low46.3Very low19 Ų1972.4 Ų72.416%0.15739%0.387CS..  trans-43.7124168.200000106.8A167 N168 A173A167-A171 PolarHBondContact O-N 2.88Å; A167-A171 VanDerWaalsContact O-N 3.08Å; N168-A171 PolarHBondContact O-N 3.22Å; A171-A173 WeakPolarHBondContact O-CA 3.08Å; A171-A173 PolarHBondContact O-N 3.2Å
172P48.5Very low47.2Very low38 Ų3870.5 Ų70.525%0.24739%0.385CS..  trans-47.7101.2-162.413.9-30.6000109.9Q146 L174Q146-P172 HydrophobicContact CB-CG 3.99Å; Q146-P172 HydrophobicContact CG-CB 4.31Å; Q146-P172 HydrophobicContact CG-CG 3.66Å; P172-L174 PolarHBondContact O-N 2.79Å; P172-L174 VanDerWaalsContact O-N 3.13Å
173A49.6Very low48.2Very low67 Ų6771.3 Ų71.355%0.55439%0.387SS*.  trans-72.7112.2-175.400000105.9I143 C144 A171 W175I143-A173 HydrophobicContact CG2-CB 4.14Å; C144-A173 CarbonylContact O-C 3.56Å; C144-A173 WeakPolarHBondContact O-CA 3.24Å; A171-A173 WeakPolarHBondContact O-CA 3.08Å; A171-A173 PolarHBondContact O-N 3.2Å; A173-W175 PolarHBondContact O-N 3.43Å
174L54.2Low49.2Very low49 Ų4969.5 Ų69.526%0.25738%0.383SS..EExtended strand (participates in β ladder)trans-75.4115.7172.7179.664.6000107.2Y75 I143 C144 P172 I176Y75-L174 HydrophobicContact CE1-CD2 4.48Å; I143-L174 WeakPolarHBondContact CA-O 3.22Å; C144-L174 PolarHBondContact N-O 2.86Å; C144-L174 VanDerWaalsContact N-O 3.09Å; C144-L174 PolarHBondContact O-N 3.45Å; P172-L174 PolarHBondContact O-N 2.79Å; P172-L174 VanDerWaalsContact O-N 3.13Å; L174-I176 HydrophobicContact CD2-CD1 3.87Å; L174-I176 HydrophobicContact CD2-CG1 3.92Å; L174-I176 HydrophobicContact CG-CD1 4.23Å; L174-I176 HydrophobicContact CG-CG1 3.77Å
175W54.7Low50.3Low122 Ų12272.2 Ų72.246%0.46239%0.385SS..EExtended strand (participates in β ladder)trans-94.8117.8171.9-175.346.9000109.3A173 K177A173-W175 PolarHBondContact O-N 3.43Å; W175-K177 HydrophobicContact CH2-CD 4.39Å; W175-K177 HydrophobicContact CZ2-CD 4.49Å
176I55.3Low51.5Low17 Ų1767.9 Ų67.99%0.08735%0.347CS..EExtended strand (participates in β ladder)trans-115117.5-177.7-49.9170.2000108.3Y75 D141 L142 L174 V178Y75-I176 HydrophobicContact CE1-CD1 4.23Å; Y75-I176 HydrophobicContact CE2-CD1 3.51Å; Y75-I176 WeakPolarHBondContact OH-CD1 3.5Å; D141-I176 CarbonylContact C-O 3.58Å; D141-I176 WeakPolarHBondContact CA-O 3.09Å; L142-I176 HydrophobicContact CB-CB 4.21Å; L142-I176 HydrophobicContact CB-CD1 4.32Å; L142-I176 PolarHBondContact N-O 3.36Å; L142-I176 PolarHBondContact O-N 3.17Å; L174-I176 HydrophobicContact CD2-CD1 3.87Å; L174-I176 HydrophobicContact CD2-CG1 3.92Å; L174-I176 HydrophobicContact CG-CD1 4.23Å; L174-I176 HydrophobicContact CG-CG1 3.77Å; I176-V178 HydrophobicContact CG2-CG2 4.02Å
177K58.5Low53Low73 Ų7363.1 Ų63.132%0.31733%0.325SS..EExtended strand (participates in β ladder)trans-103.8119.4176.1-176.7170.9-177.7178.80110.1V140 D141 W175 L202V140-K177 CarbonylContact O-C 3.57Å; D141-K177 WeakPolarHBondContact OD1-CG 3.3Å; W175-K177 HydrophobicContact CH2-CD 4.39Å; W175-K177 HydrophobicContact CZ2-CD 4.49Å; K177-L202 HydrophobicContact CD-CD2 4.16Å
178V55.4Low54.6Low21 Ų2164.4 Ų64.413%0.12733%0.329CS..EExtended strand (participates in β ladder)trans-112.4127.6-177179.10000109.6L71 L139 V140 L142 I176 T180L71-V178 HydrophobicContact CD1-CG2 4.2Å; L139-V178 WeakPolarHBondContact CA-O 3.38Å; V140-V178 HydrophobicContact CB-CB 4.28Å; V140-V178 PolarHBondContact N-O 3.3Å; V140-V178 PolarHBondContact O-N 3.16Å; L142-V178 HydrophobicContact CD1-CG2 4.06Å; I176-V178 HydrophobicContact CG2-CG2 4.02Å; V178-T180 HydrophobicContact CG1-CG2 3.72Å
179V55.9Low56.2Low28 Ų2858.9 Ų58.917%0.1730%0.302CS..EExtended strand (participates in β ladder)trans-124.7123.6174.9-1780000109.1L138 L139 L186 L202L138-V179 WeakPolarHBondContact O-CA 3.46Å; L139-V179 HydrophobicContact CD1-CG2 4.04Å; L139-V179 HydrophobicContact CG-CG2 4.35Å; V179-L186 HydrophobicContact CB-CD1 4.27Å; V179-L202 HydrophobicContact CB-CD1 4.5Å; V179-L202 HydrophobicContact CG2-CD1 4.08Å
180T55.6Low57.9Low32 Ų3253.6 Ų53.620%0.19627%0.271CS..EExtended strand (participates in β ladder)trans-140.3119.4-17354.90000110.9Y64 L138 V178Y64-T180 HydrophobicContact CD1-CG2 4.2Å; Y64-T180 WeakPolarHBondContact CD1-OG1 3.23Å; L138-T180 WeakPolarHBondContact CB-O 3.45Å; L138-T180 PolarHBondContact O-N 2.83Å; V178-T180 HydrophobicContact CG1-CG2 3.72Å
181R54.3Low59.7Low67 Ų6750.5 Ų50.525%0.25326%0.26SS..SBendtrans-162.1-35.5152.6-78.1-148.3177.6158.7-7.5113.3N61 Y64 R87 D136N61-R181 PolarHBondContact OD1-NH2 3.03Å; Y64-R181 HydrophobicContact CE2-CG 4.1Å; Y64-R181 VanDerWaalsContact OH-CA 3.27Å; Y64-R181 WeakPolarHBondContact OH-CA 3.3Å; Y64-R181 PolarHBondContact OH-O 2.74Å; R87-R181 PolarHBondContact O-NH2 3.49Å; D136-R181 WeakPolarHBondContact O-CD 3.12Å; D136-R181 PolarHBondContact O-NE 3.26Å; D136-R181 PolarHBondContact O-NH1 3.36Å
182N57.5Low61.1Low77 Ų7750.7 Ų50.741%0.41226%0.264SS..  trans-157134.5179.9-179.5-16.3000108.3S184 R185 L186N182-S184 PolarHBondContact O-N 3.21Å; N182-S184 WeakPolarHBondContact OD1-CB 3.41Å; N182-S184 PolarHBondContact OD1-N 3.14Å; N182-S184 PolarHBondContact OD1-OG 3.45Å; N182-R185 HydrophobicContact CB-CB 4.5Å; N182-R185 PolarHBondContact O-N 3.28Å; N182-R185 VanDerWaalsContact O-N 3.16Å; N182-L186 PolarHBondContact O-N 3.46Å
183S61.9Low62.3Low31 Ų3154.7 Ų54.722%0.21728%0.279CS..Hα-helixtrans-54-40.4173.552.30000111.6R185 L186 N187 D243S183-R185 PolarHBondContact O-N 3.02Å; S183-L186 PolarHBondContact O-N 2.88Å; S183-L186 VanDerWaalsContact O-N 3.17Å; S183-N187 WeakPolarHBondContact O-CB 3.34Å; S183-N187 PolarHBondContact O-N 3.46Å; S183-N187 PolarHBondContact O-ND2 3.33Å; S183-N187 PolarHBondContact O-OD1 3.1Å; S183-D243 WeakPolarHBondContact CB-O 3.47Å
184S64Low63.1Low62 Ų6254.4 Ų54.443%0.43428%0.277SS..Hα-helixtrans-58.8-43.3176.9-46.50000112.4N182 N187 N188N182-S184 PolarHBondContact O-N 3.21Å; N182-S184 WeakPolarHBondContact OD1-CB 3.41Å; N182-S184 PolarHBondContact OD1-N 3.14Å; N182-S184 PolarHBondContact OD1-OG 3.45Å; S184-N187 PolarHBondContact O-N 2.92Å; S184-N188 PolarHBondContact O-N 3.17Å; S184-N188 PolarHBondContact O-OD1 2.88Å
185R62Low63.5Low95 Ų9554.3 Ų54.336%0.35828%0.28SS..Hα-helixtrans-72.6-33.2177.7-87.5-163.4170.1117.7-1.9112.8Q135 N182 S183 N188 A189Q135-R185 VanDerWaalsContact CB-NH1 3.29Å; Q135-R185 PolarHBondContact O-NH1 2.98Å; N182-R185 HydrophobicContact CB-CB 4.5Å; N182-R185 PolarHBondContact O-N 3.28Å; N182-R185 VanDerWaalsContact O-N 3.16Å; S183-R185 PolarHBondContact O-N 3.02Å; R185-N188 PolarHBondContact O-N 3.15Å; R185-A189 WeakPolarHBondContact O-CB 3.45Å; R185-A189 PolarHBondContact O-N 3.15Å
186L65.5Low63.9Low18 Ų1854.6 Ų54.69%0.09430%0.3CS..Hα-helixtrans-63-47.8172178.362.6000109.9V179 N182 S183 N188 A189 W190 L202 W231V179-L186 HydrophobicContact CB-CD1 4.27Å; N182-L186 PolarHBondContact O-N 3.46Å; S183-L186 PolarHBondContact O-N 2.88Å; S183-L186 VanDerWaalsContact O-N 3.17Å; L186-N188 VanDerWaalsContact C-N 3.27Å; L186-N188 PolarHBondContact O-N 3.07Å; L186-A189 CarbonylContact O-C 3.45Å; L186-A189 WeakPolarHBondContact O-CA 3.39Å; L186-A189 WeakPolarHBondContact O-CB 3.46Å; L186-A189 PolarHBondContact O-N 2.88Å; L186-W190 PolarHBondContact O-N 3.18Å; L186-L202 HydrophobicContact CD1-CD1 3.62Å; L186-W231 HydrophobicContact CD2-CE3 3.97Å; L186-W231 HydrophobicContact CD2-CH2 4.06Å; L186-W231 HydrophobicContact CD2-CZ3 3.25Å
187N68.4Low64.5Low19 Ų1961 Ų6110%0.10233%0.328CS..Hα-helixtrans-55.7-44.5174.2-64.1-19.8000110.5S183 S184 A189 W190 R191S183-N187 WeakPolarHBondContact O-CB 3.34Å; S183-N187 PolarHBondContact O-N 3.46Å; S183-N187 PolarHBondContact O-ND2 3.33Å; S183-N187 PolarHBondContact O-OD1 3.1Å; S184-N187 PolarHBondContact O-N 2.92Å; N187-A189 PolarHBondContact O-N 3.14Å; N187-W190 WeakPolarHBondContact O-CB 3.44Å; N187-W190 PolarHBondContact O-N 3.17Å; N187-R191 WeakPolarHBondContact O-CG 3.2Å; N187-R191 PolarHBondContact O-N 3.16Å
188N72.5Confident64.7Low52 Ų5264.4 Ų64.428%0.27834%0.344SS..Hα-helixtrans-63.8-37.7174.7-65.77.1000112.3S184 R185 L186 W190 R191 G192 E193 A194S184-N188 PolarHBondContact O-N 3.17Å; S184-N188 PolarHBondContact O-OD1 2.88Å; R185-N188 PolarHBondContact O-N 3.15Å; L186-N188 VanDerWaalsContact C-N 3.27Å; L186-N188 PolarHBondContact O-N 3.07Å; N188-W190 VanDerWaalsContact C-N 3.35Å; N188-R191 CarbonylContact O-C 3.45Å; N188-R191 PolarHBondContact O-N 2.69Å; N188-G192 CarbonylContact O-C 3.55Å; N188-G192 PolarHBondContact O-N 3.03Å; N188-E193 HydrophobicContact CB-CB 3.94Å; N188-E193 PolarHBondContact O-N 3.04Å; N188-E193 PolarHBondContact OD1-OE2 3.43Å; N188-A194 HydrophobicContact CB-CB 4.22Å; N188-A194 PolarHBondContact O-N 2.83Å
189A70.9Confident64.9Low17 Ų1767 Ų6714%0.1437%0.369CS..Hα-helixtrans-68.8-33.517600000112.3R185 L186 N187 G192 A194 C201 L202R185-A189 WeakPolarHBondContact O-CB 3.45Å; R185-A189 PolarHBondContact O-N 3.15Å; L186-A189 CarbonylContact O-C 3.45Å; L186-A189 WeakPolarHBondContact O-CA 3.39Å; L186-A189 WeakPolarHBondContact O-CB 3.46Å; L186-A189 PolarHBondContact O-N 2.88Å; N187-A189 PolarHBondContact O-N 3.14Å; A189-G192 PolarHBondContact O-N 3.45Å; A189-A194 HydrophobicContact CB-CB 3.91Å; A189-C201 WeakPolarHBondContact O-CA 3.45Å; A189-L202 HydrophobicContact CB-CD1 3.79Å; A189-L202 HydrophobicContact CB-CG 4.17Å; A189-L202 PolarHBondContact O-N 2.79Å
190W72.7Confident65.3Low32 Ų3267.6 Ų67.612%0.12138%0.376CS..Hα-helixtrans-65.3-39.9169.9-85100.3000112.5L186 N187 N188 G192 C201 L202 G203 A206 V229 L248 Y251 L252L186-W190 PolarHBondContact O-N 3.18Å; N187-W190 WeakPolarHBondContact O-CB 3.44Å; N187-W190 PolarHBondContact O-N 3.17Å; N188-W190 VanDerWaalsContact C-N 3.35Å; W190-G192 VanDerWaalsContact C-N 3.26Å; W190-G192 PolarHBondContact O-N 3.28Å; W190-C201 PolarHBondContact O-SG 3.38Å; W190-L202 HydrophobicContact CD2-CB 4.14Å; W190-L202 HydrophobicContact CG-CB 4.34Å; W190-G203 VanDerWaalsContact CZ3-CA 3.46Å; W190-G203 PolarHBondContact O-N 2.96Å; W190-A206 HydrophobicContact CH2-CB 3.64Å; W190-A206 HydrophobicContact CZ3-CB 3.7Å; W190-V229 HydrophobicContact CH2-CG2 4.18Å; W190-V229 HydrophobicContact CZ2-CG2 4.12Å; W190-L248 HydrophobicContact CB-CD1 4.14Å; W190-L248 HydrophobicContact CB-CD2 4.32Å; W190-L248 HydrophobicContact CD2-CD1 3.36Å; W190-L248 HydrophobicContact CD2-CD2 4.1Å; W190-L248 HydrophobicContact CD2-CG 4.39Å; W190-L248 HydrophobicContact CE3-CD1 3.48Å; W190-L248 VanDerWaalsContact CE3-CD1 3.48Å; W190-L248 HydrophobicContact CG-CD1 3.63Å; W190-L248 HydrophobicContact CG-CD2 3.7Å; W190-L248 HydrophobicContact CG-CG 4.35Å; W190-L248 HydrophobicContact CZ2-CD1 4.45Å; W190-L248 HydrophobicContact CZ3-CD1 4.13Å; W190-Y251 HydrophobicContact CE3-CE1 4.25Å; W190-Y251 HydrophobicContact CZ3-CE1 4.12Å; W190-L252 HydrophobicContact CH2-CD2 3.45Å; W190-L252 VanDerWaalsContact CH2-CD2 3.45Å; W190-L252 HydrophobicContact CH2-CG 4.43Å; W190-L252 HydrophobicContact CZ2-CD2 4.17Å; W190-L252 HydrophobicContact CZ3-CD2 3.68Å
191R73.3Confident66.3Low125 Ų12566.7 Ų66.747%0.47237%0.371SS..Hα-helixtrans-77.6-8.8175.8-67.3178.3179.21432.8113.7N187 N188 E193 D245N187-R191 WeakPolarHBondContact O-CG 3.2Å; N187-R191 PolarHBondContact O-N 3.16Å; N188-R191 CarbonylContact O-C 3.45Å; N188-R191 PolarHBondContact O-N 2.69Å; R191-E193 VanDerWaalsContact C-N 3.26Å; R191-E193 HydrophobicContact CB-CG 3.85Å; R191-E193 VanDerWaalsContact CD-OE1 3.28Å; R191-E193 WeakPolarHBondContact CD-OE1 3.48Å; R191-E193 PolarHBondContact O-N 2.86Å; R191-D245 IonicContact CZ-OD2 2.73Å; R191-D245 IonicContact NH2-OD2 3.72Å; R191-D245 PolarHBondContact NH2-OD2 3.07Å
192G71.5Confident67.1Low23 Ų2364.6 Ų64.624%0.23737%0.365CS..THydrogen-bonded Turntrans77.17.8-173.800000114.4N188 A189 W190N188-G192 CarbonylContact O-C 3.55Å; N188-G192 PolarHBondContact O-N 3.03Å; A189-G192 PolarHBondContact O-N 3.45Å; W190-G192 VanDerWaalsContact C-N 3.26Å; W190-G192 PolarHBondContact O-N 3.28Å
193E74.9Confident68Low121 Ų12161 Ų6157%0.56535%0.346SS*.THydrogen-bonded Turntrans-77-19.9179.5-64.1170.5-17000113N188 R191 S195N188-E193 HydrophobicContact CB-CB 3.94Å; N188-E193 PolarHBondContact O-N 3.04Å; N188-E193 PolarHBondContact OD1-OE2 3.43Å; R191-E193 VanDerWaalsContact C-N 3.26Å; R191-E193 HydrophobicContact CB-CG 3.85Å; R191-E193 VanDerWaalsContact CD-OE1 3.28Å; R191-E193 WeakPolarHBondContact CD-OE1 3.48Å; R191-E193 PolarHBondContact O-N 2.86Å; E193-S195 VanDerWaalsContact C-N 3.35Å
194A65.7Low68.6Low62 Ų6262.2 Ų62.251%0.51235%0.348SS..THydrogen-bonded Turntrans-81-8.6-178.500000114.6N188 A189N188-A194 HydrophobicContact CB-CB 4.22Å; N188-A194 PolarHBondContact O-N 2.83Å; A189-A194 HydrophobicContact CB-CB 3.91Å
195S63.6Low69.1Low46 Ų4661.3 Ų61.332%0.32234%0.337SS..  trans-143.6140.4-176.5175.60000111E193 K197 A200E193-S195 VanDerWaalsContact C-N 3.35Å; S195-K197 PolarHBondContact O-N 2.93Å; S195-K197 PolarHBondContact OG-N 3.06Å; S195-K197 VanDerWaalsContact OG-N 3.15Å; S195-A200 VanDerWaalsContact OG-CB 3.3Å; S195-A200 WeakPolarHBondContact OG-CB 3.4Å
196S62.5Low69.7Low128 Ų12857.3 Ų57.390%0.89532%0.324SS*.SBendtrans-68.5-10.2173.157.60000113.7
197K67Low70.2Confident152 Ų15260 Ų6066%0.66134%0.336SS*.  trans-102.4116.9178.7-63.7-176.1-179.4-178.30110.1S195 A199 A200S195-K197 PolarHBondContact O-N 2.93Å; S195-K197 PolarHBondContact OG-N 3.06Å; S195-K197 VanDerWaalsContact OG-N 3.15Å; K197-A199 PolarHBondContact O-N 3.32Å; K197-A199 VanDerWaalsContact O-N 3.17Å; K197-A200 HydrophobicContact CB-CB 4.36Å; K197-A200 VanDerWaalsContact O-CB 3.29Å; K197-A200 WeakPolarHBondContact O-CB 3.36Å; K197-A200 PolarHBondContact O-N 3.49Å
198H62.8Low70.5Confident144 Ų14464 Ų6467%0.66735%0.354SS*.G310 helixtrans-53.3-36.8175.4-161.7-73.6000112.8A200 C201H198-A200 PolarHBondContact O-N 3.28Å; H198-A200 VanDerWaalsContact O-N 3.14Å; H198-C201 WeakPolarHBondContact O-CB 3.19Å; H198-C201 PolarHBondContact O-N 3.41Å; H198-C201 VanDerWaalsContact O-N 3.1Å
199A59.9Low70.5Confident77 Ų7765 Ų6564%0.63636%0.359SS*.G310 helixtrans-63.7-16.2176.300000114.4K197 Q205K197-A199 PolarHBondContact O-N 3.32Å; K197-A199 VanDerWaalsContact O-N 3.17Å; A199-Q205 PolarHBondContact O-NE2 3.09Å
200A65Low70.8Confident40 Ų4064.8 Ų64.833%0.33136%0.356SS..G310 helixtrans-86.4-9.1177.200000113.2S195 K197 H198 L202 Q205S195-A200 VanDerWaalsContact OG-CB 3.3Å; S195-A200 WeakPolarHBondContact OG-CB 3.4Å; K197-A200 HydrophobicContact CB-CB 4.36Å; K197-A200 VanDerWaalsContact O-CB 3.29Å; K197-A200 WeakPolarHBondContact O-CB 3.36Å; K197-A200 PolarHBondContact O-N 3.49Å; H198-A200 PolarHBondContact O-N 3.28Å; H198-A200 VanDerWaalsContact O-N 3.14Å; A200-L202 PolarHBondContact O-N 3.17Å; A200-Q205 VanDerWaalsContact C-NE2 3.26Å; A200-Q205 PolarHBondContact O-NE2 3.13Å
201C75.5Confident70.7Confident12 Ų1267.6 Ų67.68%0.08137%0.373CS..  trans-59.2123.2176.8177.20000110.6A189 W190 H198 G203 H204 Q205A189-C201 WeakPolarHBondContact O-CA 3.45Å; W190-C201 PolarHBondContact O-SG 3.38Å; H198-C201 WeakPolarHBondContact O-CB 3.19Å; H198-C201 PolarHBondContact O-N 3.41Å; H198-C201 VanDerWaalsContact O-N 3.1Å; C201-G203 VanDerWaalsContact C-N 3.35Å; C201-H204 HydrophobicContact CB-CB 3.88Å; C201-H204 PolarHBondContact O-N 3.29Å; C201-H204 PolarHBondContact SG-N 3.48Å; C201-H204 VanDerWaalsContact SG-N 3.43Å; C201-Q205 WeakPolarHBondContact O-CG 3.29Å; C201-Q205 PolarHBondContact O-N 2.62Å
202L72.4Confident70.6Confident23 Ų2363.1 Ų63.112%0.1236%0.363CS..Hα-helixtrans-68.5-36179.3-68.9176.8000111.7K177 V179 L186 A189 W190 A200 Q205 A206K177-L202 HydrophobicContact CD-CD2 4.16Å; V179-L202 HydrophobicContact CB-CD1 4.5Å; V179-L202 HydrophobicContact CG2-CD1 4.08Å; L186-L202 HydrophobicContact CD1-CD1 3.62Å; A189-L202 HydrophobicContact CB-CD1 3.79Å; A189-L202 HydrophobicContact CB-CG 4.17Å; A189-L202 PolarHBondContact O-N 2.79Å; W190-L202 HydrophobicContact CD2-CB 4.14Å; W190-L202 HydrophobicContact CG-CB 4.34Å; A200-L202 PolarHBondContact O-N 3.17Å; L202-Q205 PolarHBondContact O-N 3.04Å; L202-A206 WeakPolarHBondContact O-CB 3.38Å; L202-A206 PolarHBondContact O-N 3.32Å
203G75Confident70.6Confident2 Ų262.7 Ų62.72%0.02136%0.356CS..Hα-helixtrans-57.1-51.3173.500000111.7W190 C201 Q205 A206 E207W190-G203 VanDerWaalsContact CZ3-CA 3.46Å; W190-G203 PolarHBondContact O-N 2.96Å; C201-G203 VanDerWaalsContact C-N 3.35Å; G203-Q205 PolarHBondContact O-N 3.47Å; G203-A206 WeakPolarHBondContact O-CB 3.15Å; G203-A206 PolarHBondContact O-N 2.97Å; G203-A206 VanDerWaalsContact O-N 3.17Å; G203-E207 WeakPolarHBondContact O-CG 3.37Å; G203-E207 PolarHBondContact O-N 3.3Å
204H74.5Confident70.4Confident56 Ų5661.6 Ų61.626%0.25935%0.351SS..Hα-helixtrans-64.2-41.6178.7-168.556.8000113C201 A206 E207 E208C201-H204 HydrophobicContact CB-CB 3.88Å; C201-H204 PolarHBondContact O-N 3.29Å; C201-H204 PolarHBondContact SG-N 3.48Å; C201-H204 VanDerWaalsContact SG-N 3.43Å; H204-A206 VanDerWaalsContact C-N 3.29Å; H204-A206 PolarHBondContact O-N 3.46Å; H204-E207 IonicContact ND1-OE2 2.78Å; H204-E207 PolarHBondContact ND1-OE2 3.16Å; H204-E207 WeakPolarHBondContact O-CB 3.46Å; H204-E207 PolarHBondContact O-N 3.23Å; H204-E208 IonicContact NE2-OE1 3.39Å; H204-E208 WeakPolarHBondContact O-CG 3.3Å; H204-E208 PolarHBondContact O-N 3.12Å
205Q74.8Confident70.4Confident43 Ų4361.7 Ų61.720%0.20134%0.338CS..Hα-helixtrans-62.6-37.8174.6-74.1165.333.800112A199 A200 C201 L202 G203 E208 L209A199-Q205 PolarHBondContact O-NE2 3.09Å; A200-Q205 VanDerWaalsContact C-NE2 3.26Å; A200-Q205 PolarHBondContact O-NE2 3.13Å; C201-Q205 WeakPolarHBondContact O-CG 3.29Å; C201-Q205 PolarHBondContact O-N 2.62Å; L202-Q205 PolarHBondContact O-N 3.04Å; G203-Q205 PolarHBondContact O-N 3.47Å; Q205-E208 PolarHBondContact O-N 3Å; Q205-L209 VanDerWaalsContact O-CB 3.31Å; Q205-L209 WeakPolarHBondContact O-CB 3.44Å; Q205-L209 PolarHBondContact O-N 3.2Å
206A75.2Confident70.7Confident11 Ų1167.5 Ų67.59%0.09135%0.354CS..Hα-helixtrans-66.2-45.3175.200000110.9W190 L202 G203 H204 E208 L209 I210W190-A206 HydrophobicContact CH2-CB 3.64Å; W190-A206 HydrophobicContact CZ3-CB 3.7Å; L202-A206 WeakPolarHBondContact O-CB 3.38Å; L202-A206 PolarHBondContact O-N 3.32Å; G203-A206 WeakPolarHBondContact O-CB 3.15Å; G203-A206 PolarHBondContact O-N 2.97Å; G203-A206 VanDerWaalsContact O-N 3.17Å; H204-A206 VanDerWaalsContact C-N 3.29Å; H204-A206 PolarHBondContact O-N 3.46Å; A206-E208 PolarHBondContact O-N 2.88Å; A206-L209 PolarHBondContact O-N 2.69Å; A206-I210 WeakPolarHBondContact O-CB 3.42Å; A206-I210 VanDerWaalsContact O-CD1 3.23Å; A206-I210 WeakPolarHBondContact O-CD1 3.37Å; A206-I210 WeakPolarHBondContact O-CG1 3.5Å; A206-I210 PolarHBondContact O-N 2.86Å
207E75.6Confident71.1Confident75 Ų7563 Ų6335%0.3532%0.319SS..Hα-helixtrans-55.9-47.8172.3-71.5173.916400111.8G203 H204 L209 I210 L211 Y251G203-E207 WeakPolarHBondContact O-CG 3.37Å; G203-E207 PolarHBondContact O-N 3.3Å; H204-E207 IonicContact ND1-OE2 2.78Å; H204-E207 PolarHBondContact ND1-OE2 3.16Å; H204-E207 WeakPolarHBondContact O-CB 3.46Å; H204-E207 PolarHBondContact O-N 3.23Å; E207-L209 VanDerWaalsContact C-N 3.31Å; E207-L209 PolarHBondContact O-N 3.21Å; E207-I210 PolarHBondContact O-N 3.07Å; E207-L211 WeakPolarHBondContact O-CB 3.22Å; E207-L211 WeakPolarHBondContact O-CG 3.42Å; E207-L211 PolarHBondContact O-N 3.38Å; E207-Y251 WeakPolarHBondContact CG-OH 3.36Å; E207-Y251 PolarHBondContact OE1-OH 2.93Å
208E74.6Confident71.2Confident102 Ų10258.1 Ų58.148%0.47730%0.296SS..Hα-helixtrans-61.2-40.9177.8-74.1-169144.800111.9H204 Q205 A206 A212H204-E208 IonicContact NE2-OE1 3.39Å; H204-E208 WeakPolarHBondContact O-CG 3.3Å; H204-E208 PolarHBondContact O-N 3.12Å; Q205-E208 PolarHBondContact O-N 3Å; A206-E208 PolarHBondContact O-N 2.88Å; E208-A212 VanDerWaalsContact O-CB 3.27Å; E208-A212 WeakPolarHBondContact O-CB 3.25Å; E208-A212 PolarHBondContact O-N 3.14Å
209L74.2Confident71.3Confident73 Ų7351.6 Ų51.638%0.38227%0.268SS..Hα-helixtrans-68.8-38.6177.4-174.165.5000112Q205 A206 E207 A212 S213 V227Q205-L209 VanDerWaalsContact O-CB 3.31Å; Q205-L209 WeakPolarHBondContact O-CB 3.44Å; Q205-L209 PolarHBondContact O-N 3.2Å; A206-L209 PolarHBondContact O-N 2.69Å; E207-L209 VanDerWaalsContact C-N 3.31Å; E207-L209 PolarHBondContact O-N 3.21Å; L209-A212 CarbonylContact O-C 3.48Å; L209-A212 PolarHBondContact O-N 3.38Å; L209-S213 WeakPolarHBondContact O-CB 2.96Å; L209-S213 PolarHBondContact O-N 3.19Å; L209-V227 HydrophobicContact CB-CG2 4.41Å; L209-V227 HydrophobicContact CD2-CG1 3.9Å; L209-V227 HydrophobicContact CD2-CG2 4.06Å; L209-V227 HydrophobicContact CG-CG1 4.4Å; L209-V227 HydrophobicContact CG-CG2 3.76Å
210I76.1Confident71.5Confident13 Ų1350.2 Ų50.27%0.06725%0.248CC..Hα-helixtrans-66.9-47.3175.6-68.9156.2000110A206 E207 A212 S213 H214 V227 I255 V257A206-I210 WeakPolarHBondContact O-CB 3.42Å; A206-I210 VanDerWaalsContact O-CD1 3.23Å; A206-I210 WeakPolarHBondContact O-CD1 3.37Å; A206-I210 WeakPolarHBondContact O-CG1 3.5Å; A206-I210 PolarHBondContact O-N 2.86Å; E207-I210 PolarHBondContact O-N 3.07Å; I210-A212 VanDerWaalsContact C-N 3.31Å; I210-A212 PolarHBondContact O-N 3.22Å; I210-S213 WeakPolarHBondContact CA-OG 3.48Å; I210-S213 PolarHBondContact O-N 3.49Å; I210-S213 VanDerWaalsContact O-N 3.16Å; I210-S213 PolarHBondContact O-OG 3.38Å; I210-H214 VanDerWaalsContact CG2-CD2 3.45Å; I210-H214 WeakPolarHBondContact CG2-CD2 3.25Å; I210-H214 PolarHBondContact O-CD2 3.43Å; I210-H214 PolarHBondContact O-N 2.73Å; I210-V227 HydrophobicContact CB-CG2 4.5Å; I210-V227 HydrophobicContact CG1-CB 3.88Å; I210-V227 HydrophobicContact CG1-CG1 4.08Å; I210-V227 HydrophobicContact CG1-CG2 3.9Å; I210-I255 HydrophobicContact CD1-CB 3.91Å; I210-I255 HydrophobicContact CD1-CD1 3.26Å; I210-I255 HydrophobicContact CD1-CG1 3.51Å; I210-V257 HydrophobicContact CD1-CG2 3.24Å; I210-V257 HydrophobicContact CG1-CG2 3.6Å
211L71.7Confident71.4Confident91 Ų9151.7 Ų51.748%0.47626%0.255SS..Hα-helixtrans-53.4-55.9172.6-72.2170.6000108.2E207 S213 H214 W215E207-L211 WeakPolarHBondContact O-CB 3.22Å; E207-L211 WeakPolarHBondContact O-CG 3.42Å; E207-L211 PolarHBondContact O-N 3.38Å; L211-S213 VanDerWaalsContact C-N 3.28Å; L211-S213 PolarHBondContact O-N 2.9Å; L211-H214 WeakPolarHBondContact O-CB 3.14Å; L211-H214 PolarHBondContact O-N 3.49Å; L211-W215 PolarHBondContact O-N 3.49Å
212A69.4Low70.8Confident32 Ų3255.4 Ų55.426%0.26427%0.271SS..Hα-helixtrans-56.4-38.7178.900000113E208 L209 I210 W215 Y216E208-A212 VanDerWaalsContact O-CB 3.27Å; E208-A212 WeakPolarHBondContact O-CB 3.25Å; E208-A212 PolarHBondContact O-N 3.14Å; L209-A212 CarbonylContact O-C 3.48Å; L209-A212 PolarHBondContact O-N 3.38Å; I210-A212 VanDerWaalsContact C-N 3.31Å; I210-A212 PolarHBondContact O-N 3.22Å; A212-W215 VanDerWaalsContact O-CB 3.25Å; A212-W215 WeakPolarHBondContact O-CB 3.49Å; A212-W215 PolarHBondContact O-N 2.93Å; A212-Y216 WeakPolarHBondContact O-CD2 3.42Å; A212-Y216 PolarHBondContact O-N 3.29Å; A212-Y216 VanDerWaalsContact O-N 3.08Å
213S72.5Confident70.4Confident13 Ų1358.3 Ų58.39%0.09128%0.281CS..Hα-helixtrans-66.6-45.3177.374.20000111.5L209 I210 L211 W215 Y216 Q217L209-S213 WeakPolarHBondContact O-CB 2.96Å; L209-S213 PolarHBondContact O-N 3.19Å; I210-S213 WeakPolarHBondContact CA-OG 3.48Å; I210-S213 PolarHBondContact O-N 3.49Å; I210-S213 VanDerWaalsContact O-N 3.16Å; I210-S213 PolarHBondContact O-OG 3.38Å; L211-S213 VanDerWaalsContact C-N 3.28Å; L211-S213 PolarHBondContact O-N 2.9Å; S213-W215 PolarHBondContact O-N 3.37Å; S213-Y216 PolarHBondContact O-N 2.99Å; S213-Y216 VanDerWaalsContact O-N 3.15Å; S213-Q217 WeakPolarHBondContact O-CB 3.38Å; S213-Q217 PolarHBondContact O-N 3.49Å
214H71Confident69.8Low99 Ų9962.5 Ų62.546%0.45830%0.296SS..Hα-helixtrans-57-39.5171.9-76.8-72.9000111.5I210 L211 Y216 Q217 R218I210-H214 VanDerWaalsContact CG2-CD2 3.45Å; I210-H214 WeakPolarHBondContact CG2-CD2 3.25Å; I210-H214 PolarHBondContact O-CD2 3.43Å; I210-H214 PolarHBondContact O-N 2.73Å; L211-H214 WeakPolarHBondContact O-CB 3.14Å; L211-H214 PolarHBondContact O-N 3.49Å; H214-Y216 PolarHBondContact O-N 3.48Å; H214-Q217 PolarHBondContact O-N 2.84Å; H214-R218 WeakPolarHBondContact O-CG 3.06Å; H214-R218 PolarHBondContact O-N 2.77Å
215W65.3Low69.4Low64 Ų6462.1 Ų62.124%0.24230%0.295CS..Hα-helixtrans-56.8-49.1175.2-79.8102.3000112.2L211 A212 S213 R581 Y582 S583L211-W215 PolarHBondContact O-N 3.49Å; A212-W215 VanDerWaalsContact O-CB 3.25Å; A212-W215 WeakPolarHBondContact O-CB 3.49Å; A212-W215 PolarHBondContact O-N 2.93Å; S213-W215 PolarHBondContact O-N 3.37Å; W215-R581 HydrophobicContact CH2-CB 3.32Å; W215-R581 WeakPolarHBondContact CH2-O 3.46Å; W215-R581 HydrophobicContact CZ2-CB 3.21Å; W215-R581 HydrophobicContact CZ2-CG 4.42Å; W215-R581 HydrophobicContact CZ3-CB 3.92Å; W215-Y582 VanDerWaalsContact CH2-N 3.3Å; W215-Y582 WeakPolarHBondContact CZ3-O 3.27Å; W215-S583 WeakPolarHBondContact CZ3-OG 3.27Å
216Y68.7Low69.1Low168 Ų16863.6 Ų63.666%0.65930%0.299SS*.Hα-helixtrans-79.7-21.7179.8-71.5-75000113.4A212 S213 H214 R218 Q220 I225A212-Y216 WeakPolarHBondContact O-CD2 3.42Å; A212-Y216 PolarHBondContact O-N 3.29Å; A212-Y216 VanDerWaalsContact O-N 3.08Å; S213-Y216 PolarHBondContact O-N 2.99Å; S213-Y216 VanDerWaalsContact O-N 3.15Å; H214-Y216 PolarHBondContact O-N 3.48Å; Y216-R218 VanDerWaalsContact C-N 3.33Å; Y216-Q220 WeakPolarHBondContact O-CG 3.37Å; Y216-I225 HydrophobicContact CG-CD1 4.28Å
217Q71.2Confident68.9Low33 Ų3364 Ų6415%0.15430%0.3CS..Hα-helixtrans-72-24.8176.9176.358.765.300112.4S213 H214 G219 Q220 P221 I225S213-Q217 WeakPolarHBondContact O-CB 3.38Å; S213-Q217 PolarHBondContact O-N 3.49Å; H214-Q217 PolarHBondContact O-N 2.84Å; Q217-G219 PolarHBondContact O-N 3.14Å; Q217-Q220 PolarHBondContact NE2-O 2.59Å; Q217-Q220 WeakPolarHBondContact O-CA 3.21Å; Q217-Q220 VanDerWaalsContact O-CB 3.27Å; Q217-Q220 WeakPolarHBondContact O-CB 3.25Å; Q217-Q220 PolarHBondContact O-N 2.89Å; Q217-P221 PolarHBondContact NE2-O 2.87Å; Q217-I225 PolarHBondContact OE1-O 3.41Å
218R69.6Low68.7Low49 Ų4962.6 Ų62.619%0.18529%0.294CS..THydrogen-bonded Turntrans-58.6129.3178.8-76.7165.7179-165.8-6111.9H214 Y216 Q220 N558 S583H214-R218 WeakPolarHBondContact O-CG 3.06Å; H214-R218 PolarHBondContact O-N 2.77Å; Y216-R218 VanDerWaalsContact C-N 3.33Å; R218-Q220 PolarHBondContact O-N 3.35Å; R218-N558 PolarHBondContact NH1-OD1 2.94Å; R218-S583 WeakPolarHBondContact CD-OG 3.3Å; R218-S583 PolarHBondContact NH1-OG 3.1Å
219G65.4Low68.5Low8 Ų859.2 Ų59.28%0.08228%0.281CS..THydrogen-bonded Turntrans71.2-0.4-174.200000114.9Q217 K485Q217-G219 PolarHBondContact O-N 3.14Å; G219-K485 WeakPolarHBondContact O-CE 3.48Å
220Q64.4Low68.1Low48 Ų4857 Ų5722%0.22427%0.268CS..SBendtrans-93.7155.7172.5-55.5-59.2-37.400110.5Y216 Q217 R218 W224 N391Y216-Q220 WeakPolarHBondContact O-CG 3.37Å; Q217-Q220 PolarHBondContact NE2-O 2.59Å; Q217-Q220 WeakPolarHBondContact O-CA 3.21Å; Q217-Q220 VanDerWaalsContact O-CB 3.27Å; Q217-Q220 WeakPolarHBondContact O-CB 3.25Å; Q217-Q220 PolarHBondContact O-N 2.89Å; R218-Q220 PolarHBondContact O-N 3.35Å; Q220-W224 HydrophobicContact CB-CB 3.74Å; Q220-W224 HydrophobicContact CB-CG 3.81Å; Q220-W224 HydrophobicContact CG-CG 4.31Å; Q220-N391 PolarHBondContact O-ND2 3.06Å
221P62.5Low67.7Low71 Ų7158.2 Ų58.246%0.46127%0.272SS..PPolyproline II helixtrans-54.3149.3174.2-24.334.8000111.8Q217 Y223 W224 N391Q217-P221 PolarHBondContact NE2-O 2.87Å; P221-Y223 PolarHBondContact O-N 3.45Å; P221-W224 WeakPolarHBondContact O-CB 3.48Å; P221-W224 PolarHBondContact O-N 3.32Å; P221-W224 VanDerWaalsContact O-N 3.16Å; P221-N391 WeakPolarHBondContact CA-ND2 3.42Å
222Q63.7Low67.2Low89 Ų8955.8 Ų55.842%0.41626%0.26SS..THydrogen-bonded Turntrans-49.4136.3-179.8-160.6-1769.600111.4W224Q222-W224 VanDerWaalsContact C-N 3.26Å; Q222-W224 PolarHBondContact O-N 2.77Å
223Y63.1Low66.5Low84 Ų8456.6 Ų56.633%0.32926%0.262SS..THydrogen-bonded Turntrans65.915.9178.3-48.4-61.7000116.7P221 I225 R226 S277P221-Y223 PolarHBondContact O-N 3.45Å; Y223-I225 PolarHBondContact O-N 3.18Å; Y223-R226 PolarHBondContact O-NE 2.82Å; Y223-S277 VanDerWaalsContact OH-CB 3.24Å; Y223-S277 WeakPolarHBondContact OH-CB 3.44Å
224W61.5Low65.5Low91 Ų9161.8 Ų61.835%0.34529%0.285SS..SBendtrans-57.3-45.1175.1-174.3-111.4000113.3Q146 Q220 P221 Q222Q146-W224 PolarHBondContact NE2-O 2.5Å; Q220-W224 HydrophobicContact CB-CB 3.74Å; Q220-W224 HydrophobicContact CB-CG 3.81Å; Q220-W224 HydrophobicContact CG-CG 4.31Å; P221-W224 WeakPolarHBondContact O-CB 3.48Å; P221-W224 PolarHBondContact O-N 3.32Å; P221-W224 VanDerWaalsContact O-N 3.16Å; Q222-W224 VanDerWaalsContact C-N 3.26Å; Q222-W224 PolarHBondContact O-N 2.77Å
225I67.8Low64.5Low47 Ų4759 Ų5924%0.24128%0.283CS..SBendtrans-121.9126.3177.1-52178.2000108.3Y216 Q217 Y223Y216-I225 HydrophobicContact CG-CD1 4.28Å; Q217-I225 PolarHBondContact OE1-O 3.41Å; Y223-I225 PolarHBondContact O-N 3.18Å
226R66.9Low63.6Low75 Ų7561.8 Ų61.828%0.28331%0.312SS..  trans-136.7144.3-176.4-71.7-179.6-84.4173.7-1.6110.2Y223 I228Y223-R226 PolarHBondContact O-NE 2.82Å; R226-I228 HydrophobicContact CB-CG1 4.46Å
227V72.6Confident62.2Low19 Ų1961.3 Ų61.312%0.11531%0.314CS..  trans-100.1127.5167.5-178.70000107.6L209 I210 V257L209-V227 HydrophobicContact CB-CG2 4.41Å; L209-V227 HydrophobicContact CD2-CG1 3.9Å; L209-V227 HydrophobicContact CD2-CG2 4.06Å; L209-V227 HydrophobicContact CG-CG1 4.4Å; L209-V227 HydrophobicContact CG-CG2 3.76Å; I210-V227 HydrophobicContact CB-CG2 4.5Å; I210-V227 HydrophobicContact CG1-CB 3.88Å; I210-V227 HydrophobicContact CG1-CG1 4.08Å; I210-V227 HydrophobicContact CG1-CG2 3.9Å; V227-V257 HydrophobicContact CB-CG2 4.11Å; V227-V257 HydrophobicContact CG1-CG2 3.92Å
228I70.4Confident60.8Low45 Ų4566 Ų6623%0.23135%0.349CS..EExtended strand (participates in β ladder)trans-126.7136.1-177.7-60.9173.5000107.3R226 T258 L260 I267R226-I228 HydrophobicContact CB-CG1 4.46Å; I228-T258 WeakPolarHBondContact CA-O 3.34Å; I228-T258 WeakPolarHBondContact CG2-O 3.27Å; I228-L260 HydrophobicContact CG2-CD1 3.51Å; I228-L260 HydrophobicContact CG2-CG 3.65Å; I228-I267 HydrophobicContact CD1-CD1 3.86Å
229V70.4Confident59.5Low32 Ų3266.8 Ų66.819%0.19436%0.356CS..EExtended strand (participates in β ladder)trans-102.5120.3167.4170.70000107.5W190 L252 V257 T258 L259 L260W190-V229 HydrophobicContact CH2-CG2 4.18Å; W190-V229 HydrophobicContact CZ2-CG2 4.12Å; V229-L252 HydrophobicContact CB-CD1 4.23Å; V229-L252 HydrophobicContact CG1-CD1 4.28Å; V229-L252 HydrophobicContact CG2-CD1 4.17Å; V229-L252 HydrophobicContact CG2-CD2 4.1Å; V229-V257 HydrophobicContact CB-CG1 4.03Å; V229-V257 HydrophobicContact CG2-CG1 3.61Å; V229-T258 PolarHBondContact N-O 3.32Å; V229-L259 HydrophobicContact CB-CD1 4.05Å; V229-L259 HydrophobicContact CG1-CD1 3.62Å; V229-L259 CarbonylContact O-C 3.44Å; V229-L259 WeakPolarHBondContact O-CA 3.13Å; V229-L260 PolarHBondContact O-N 2.84Å
230H66.8Low58.5Low25 Ų2572.5 Ų72.512%0.11638%0.38CS..EExtended strand (participates in β ladder)trans-99.6109.5175.4-163.9174.5000109.9L71 L232 G262L71-H230 WeakPolarHBondContact CD2-CE1 3.28Å; L71-H230 WeakPolarHBondContact CD2-ND1 3.45Å; H230-L232 WeakPolarHBondContact NE2-CD2 3.37Å; H230-G262 PolarHBondContact NE2-O 3.3Å
231W66.4Low57.8Low40 Ų4076.9 Ų76.915%0.15240%0.398CS..  trans-99.1119.6175.6178.8-105.4000110.5L186 L244 L259 L260 T261L186-W231 HydrophobicContact CD2-CE3 3.97Å; L186-W231 HydrophobicContact CD2-CH2 4.06Å; L186-W231 HydrophobicContact CD2-CZ3 3.25Å; W231-L244 HydrophobicContact CE3-CD1 4.39Å; W231-L259 HydrophobicContact CB-CD1 3.79Å; W231-L260 WeakPolarHBondContact CA-O 3.32Å; W231-L260 PolarHBondContact N-O 3.5Å; W231-T261 HydrophobicContact CB-CG2 4.49Å; W231-T261 CarbonylContact O-C 3.52Å; W231-T261 WeakPolarHBondContact O-CA 3.47Å
232L61.6Low57.4Low40 Ų4079.2 Ų79.221%0.20941%0.407CS..  trans-112.4110.8169-65.5-174.9000108.9L71 H230 G262L71-L232 HydrophobicContact CD1-CD1 3.95Å; L71-L232 HydrophobicContact CD2-CD1 3.48Å; L71-L232 VanDerWaalsContact CD2-CD1 3.48Å; L71-L232 HydrophobicContact CD2-CG 4.12Å; L71-L232 HydrophobicContact CG-CD1 3.43Å; L71-L232 VanDerWaalsContact CG-CD1 3.43Å; L71-L232 HydrophobicContact CG-CG 4.44Å; H230-L232 WeakPolarHBondContact NE2-CD2 3.37Å; L232-G262 WeakPolarHBondContact CD2-O 3.48Å
233P55.9Low57.2Low48 Ų4878.8 Ų78.831%0.31241%0.408SS..  trans-67.2147.3172.827.3-31.4000110.5
234H50.8Low57.2Low123 Ų12375 Ų7557%0.56939%0.393SS*.  trans-94.8112.1175.8-178.7-91.6000110.6P63P63-H234 VanDerWaalsContact CA-NE2 3.31Å; P63-H234 WeakPolarHBondContact CA-NE2 3.31Å; P63-H234 WeakPolarHBondContact CB-CD2 3.47Å; P63-H234 WeakPolarHBondContact CB-NE2 3.41Å; P63-H234 WeakPolarHBondContact CG-NE2 3.3Å
235G49.5Very low57.7Low41 Ų4172.4 Ų72.442%0.42339%0.386SS..SBendtrans156.2146.917300000112.5F237G235-F237 CarbonylContact C-O 3.39Å; G235-F237 PolarHBondContact O-N 3.43Å
236S46.2Very low58.1Low121 Ų12174 Ų7485%0.84640%0.402SS*.SBendtrans-70.4-13.6171.240.40000113.1
237F39.7Very low58.6Low159 Ų15974.9 Ų74.970%0.69741%0.412SS*.SBendtrans-82.2132.2161-66.1-85.8000106.1G235 I239G235-F237 CarbonylContact C-O 3.39Å; G235-F237 PolarHBondContact O-N 3.43Å; F237-I239 HydrophobicContact CB-CD1 4.19Å; F237-I239 HydrophobicContact CB-CG1 3.54Å; F237-I239 WeakPolarHBondContact O-CG1 3.36Å; F237-I239 PolarHBondContact O-N 3.19Å
238C40.9Very low58.6Low132 Ų13274.6 Ų74.689%0.89241%0.409SS*.  trans-62.176161.4-65.50000106.6E240C238-E240 VanDerWaalsContact C-N 3.25Å; C238-E240 PolarHBondContact O-N 2.94Å
239I42.5Very low58.8Low64 Ų6474.5 Ų74.533%0.32841%0.406SS..  trans-74.197.1-177.6-61.6178.7000104.5F237F237-I239 HydrophobicContact CB-CD1 4.19Å; F237-I239 HydrophobicContact CB-CG1 3.54Å; F237-I239 WeakPolarHBondContact O-CG1 3.36Å; F237-I239 PolarHBondContact O-N 3.19Å
240E46Very low59.2Low128 Ų12878.4 Ų78.460%0.59842%0.422SS*.  trans37.2124144.7-67.6174-178.500114.5C238 D242C238-E240 VanDerWaalsContact C-N 3.25Å; C238-E240 PolarHBondContact O-N 2.94Å; E240-D242 HydrophobicContact CB-CB 4.07Å; E240-D242 PolarHBondContact O-N 3.47Å
241K49Very low59.7Low140 Ų14080.4 Ų80.461%0.60943%0.429SS*.THydrogen-bonded Turntrans-52.720.2157.7-106.8-171.4172.5178.20112.5R249K241-R249 VanDerWaalsContact C-CZ 3.45Å; K241-R249 VanDerWaalsContact CA-NH2 3.28Å; K241-R249 VanDerWaalsContact CB-NH1 3.29Å; K241-R249 PolarHBondContact O-NE 3.16Å; K241-R249 PolarHBondContact O-NH1 2.75Å; K241-R249 PolarHBondContact O-NH2 3.25Å
242D53.6Low60.1Low121 Ų12178.6 Ų78.665%0.64742%0.422SS*.THydrogen-bonded Turntrans-117.6-8.9-170.7-57-36.4000112.8E240E240-D242 HydrophobicContact CB-CB 4.07Å; E240-D242 PolarHBondContact O-N 3.47Å
243D60.1Low60.8Low79 Ų7983.2 Ų83.242%0.42244%0.443SS..SBendtrans-75.8-24.9174.9-89.3-11.6000114.1S183S183-D243 WeakPolarHBondContact CB-O 3.47Å
244L63.7Low61.8Low6 Ų686.5 Ų86.53%0.03146%0.458CS..SBendtrans-87.3123.3172.2-173.680.4000107.1W231 S246 L248 R249 L259W231-L244 HydrophobicContact CE3-CD1 4.39Å; L244-S246 PolarHBondContact O-N 3.17Å; L244-L248 HydrophobicContact CD1-CD2 3.41Å; L244-L248 VanDerWaalsContact CD1-CD2 3.41Å; L244-L248 HydrophobicContact CD1-CG 4.17Å; L244-L248 HydrophobicContact CG-CD2 4.03Å; L244-L248 HydrophobicContact CG-CG 4.3Å; L244-R249 HydrophobicContact CB-CG 4.47Å; L244-R249 HydrophobicContact CD2-CG 3.54Å; L244-R249 HydrophobicContact CG-CG 4.1Å; L244-R249 PolarHBondContact O-NE 3.29Å; L244-L259 HydrophobicContact CD2-CD1 3.98Å; L244-L259 HydrophobicContact CD2-CD2 3.39Å; L244-L259 HydrophobicContact CD2-CG 4.35Å
245D70.5Confident62.8Low36 Ų3682.4 Ų82.419%0.19344%0.44CS..  trans-46.2133.4-177.3-160.7-37.2000111R191 D247 L248 R249R191-D245 IonicContact CZ-OD2 2.73Å; R191-D245 IonicContact NH2-OD2 3.72Å; R191-D245 PolarHBondContact NH2-OD2 3.07Å; D245-D247 PolarHBondContact O-N 3.4Å; D245-D247 WeakPolarHBondContact OD1-CB 3.14Å; D245-D247 PolarHBondContact OD1-N 2.88Å; D245-L248 HydrophobicContact CB-CB 4Å; D245-L248 PolarHBondContact O-N 2.87Å; D245-L248 VanDerWaalsContact O-N 3.07Å; D245-R249 WeakPolarHBondContact O-CG 3.44Å; D245-R249 PolarHBondContact O-N 2.83Å
246S76.3Confident63.8Low81 Ų8183 Ų8357%0.56645%0.446SS*.Hα-helixtrans-54.2-38.7173.647.80000110.6L244 L248 R249 E250L244-S246 PolarHBondContact O-N 3.17Å; S246-L248 VanDerWaalsContact C-N 3.32Å; S246-L248 PolarHBondContact O-N 2.88Å; S246-R249 PolarHBondContact O-N 2.79Å; S246-E250 WeakPolarHBondContact O-CB 3.31Å; S246-E250 PolarHBondContact O-N 3.41Å
247D77.4Confident65.2Low93 Ų9377.7 Ų77.750%0.49741%0.408SS..Hα-helixtrans-64.8-38.7179.9-63.3-4.5000110.9D245 Y251D245-D247 PolarHBondContact O-N 3.4Å; D245-D247 WeakPolarHBondContact OD1-CB 3.14Å; D245-D247 PolarHBondContact OD1-N 2.88Å; D247-Y251 WeakPolarHBondContact O-CB 3.22Å; D247-Y251 PolarHBondContact O-N 3.41Å
248L73.3Confident66.8Low12 Ų1272.2 Ų72.26%0.06339%0.388CS..Hα-helixtrans-71.2-39178.217655.2000111.4W190 L244 D245 S246 Y251 L252W190-L248 HydrophobicContact CB-CD1 4.14Å; W190-L248 HydrophobicContact CB-CD2 4.32Å; W190-L248 HydrophobicContact CD2-CD1 3.36Å; W190-L248 HydrophobicContact CD2-CD2 4.1Å; W190-L248 HydrophobicContact CD2-CG 4.39Å; W190-L248 HydrophobicContact CE3-CD1 3.48Å; W190-L248 VanDerWaalsContact CE3-CD1 3.48Å; W190-L248 HydrophobicContact CG-CD1 3.63Å; W190-L248 HydrophobicContact CG-CD2 3.7Å; W190-L248 HydrophobicContact CG-CG 4.35Å; W190-L248 HydrophobicContact CZ2-CD1 4.45Å; W190-L248 HydrophobicContact CZ3-CD1 4.13Å; L244-L248 HydrophobicContact CD1-CD2 3.41Å; L244-L248 VanDerWaalsContact CD1-CD2 3.41Å; L244-L248 HydrophobicContact CD1-CG 4.17Å; L244-L248 HydrophobicContact CG-CD2 4.03Å; L244-L248 HydrophobicContact CG-CG 4.3Å; D245-L248 HydrophobicContact CB-CB 4Å; D245-L248 PolarHBondContact O-N 2.87Å; D245-L248 VanDerWaalsContact O-N 3.07Å; S246-L248 VanDerWaalsContact C-N 3.32Å; S246-L248 PolarHBondContact O-N 2.88Å; L248-Y251 HydrophobicContact CD1-CD1 4.25Å; L248-Y251 PolarHBondContact O-N 3.4Å; L248-L252 HydrophobicContact CD1-CD1 4.17Å; L248-L252 HydrophobicContact CD1-CG 3.98Å; L248-L252 HydrophobicContact CG-CD1 4.28Å; L248-L252 HydrophobicContact CG-CG 4.5Å; L248-L252 WeakPolarHBondContact O-CB 3.22Å; L248-L252 VanDerWaalsContact O-CG 3.25Å; L248-L252 WeakPolarHBondContact O-CG 3.42Å; L248-L252 PolarHBondContact O-N 2.92Å
249R73.7Confident68.3Low44 Ų4468 Ų6817%0.16636%0.357CS..Hα-helixtrans-63.3-48174.9-70.4162.9176.8-109.1-21.2111.6K241 L244 D245 S246 Y251 L252 Q253 L259K241-R249 VanDerWaalsContact C-CZ 3.45Å; K241-R249 VanDerWaalsContact CA-NH2 3.28Å; K241-R249 VanDerWaalsContact CB-NH1 3.29Å; K241-R249 PolarHBondContact O-NE 3.16Å; K241-R249 PolarHBondContact O-NH1 2.75Å; K241-R249 PolarHBondContact O-NH2 3.25Å; L244-R249 HydrophobicContact CB-CG 4.47Å; L244-R249 HydrophobicContact CD2-CG 3.54Å; L244-R249 HydrophobicContact CG-CG 4.1Å; L244-R249 PolarHBondContact O-NE 3.29Å; D245-R249 WeakPolarHBondContact O-CG 3.44Å; D245-R249 PolarHBondContact O-N 2.83Å; S246-R249 PolarHBondContact O-N 2.79Å; R249-Y251 VanDerWaalsContact C-N 3.32Å; R249-L252 PolarHBondContact O-N 3.28Å; R249-Q253 VanDerWaalsContact O-CB 3.27Å; R249-Q253 WeakPolarHBondContact O-CB 3.36Å; R249-Q253 PolarHBondContact O-N 2.81Å; R249-L259 HydrophobicContact CG-CD2 4.11Å
250E78.7Confident69.6Low114 Ų11466.2 Ų66.253%0.53335%0.347SS..Hα-helixtrans-60.3-46.5177-173.4-178.2164.800109.8S246 Q253 N254S246-E250 WeakPolarHBondContact O-CB 3.31Å; S246-E250 PolarHBondContact O-N 3.41Å; E250-Q253 PolarHBondContact O-N 3.17Å; E250-N254 VanDerWaalsContact O-CB 3.26Å; E250-N254 WeakPolarHBondContact O-CB 3.43Å; E250-N254 PolarHBondContact O-N 3.45Å; E250-N254 PolarHBondContact O-ND2 3.46Å; E250-N254 PolarHBondContact O-OD1 3.22Å
251Y77.6Confident70.5Confident67 Ų6762.8 Ų62.826%0.26334%0.335SS..Hα-helixtrans-58.9-49.9176173.1-102.2000112.7W190 E207 D247 L248 R249 Q253 N254 I255W190-Y251 HydrophobicContact CE3-CE1 4.25Å; W190-Y251 HydrophobicContact CZ3-CE1 4.12Å; E207-Y251 WeakPolarHBondContact CG-OH 3.36Å; E207-Y251 PolarHBondContact OE1-OH 2.93Å; D247-Y251 WeakPolarHBondContact O-CB 3.22Å; D247-Y251 PolarHBondContact O-N 3.41Å; L248-Y251 HydrophobicContact CD1-CD1 4.25Å; L248-Y251 PolarHBondContact O-N 3.4Å; R249-Y251 VanDerWaalsContact C-N 3.32Å; Y251-Q253 VanDerWaalsContact C-N 3.32Å; Y251-Q253 PolarHBondContact O-N 3.46Å; Y251-N254 WeakPolarHBondContact O-CB 3.41Å; Y251-N254 PolarHBondContact O-N 3.24Å; Y251-N254 VanDerWaalsContact O-N 3.15Å; Y251-I255 HydrophobicContact CD1-CD1 4.11Å; Y251-I255 HydrophobicContact CD2-CG2 4.39Å; Y251-I255 HydrophobicContact CE1-CD1 3.62Å; Y251-I255 HydrophobicContact CE2-CG2 4.02Å; Y251-I255 WeakPolarHBondContact O-CG1 3.47Å; Y251-I255 PolarHBondContact O-N 3.02Å
252L74.4Confident71.1Confident1 Ų158 Ų581%0.00533%0.325CS..Hα-helixtrans-59.6-43177.3-74.7178.3000112W190 V229 L248 R249 I255 G256 V257 L259W190-L252 HydrophobicContact CH2-CD2 3.45Å; W190-L252 VanDerWaalsContact CH2-CD2 3.45Å; W190-L252 HydrophobicContact CH2-CG 4.43Å; W190-L252 HydrophobicContact CZ2-CD2 4.17Å; W190-L252 HydrophobicContact CZ3-CD2 3.68Å; V229-L252 HydrophobicContact CB-CD1 4.23Å; V229-L252 HydrophobicContact CG1-CD1 4.28Å; V229-L252 HydrophobicContact CG2-CD1 4.17Å; V229-L252 HydrophobicContact CG2-CD2 4.1Å; L248-L252 HydrophobicContact CD1-CD1 4.17Å; L248-L252 HydrophobicContact CD1-CG 3.98Å; L248-L252 HydrophobicContact CG-CD1 4.28Å; L248-L252 HydrophobicContact CG-CG 4.5Å; L248-L252 WeakPolarHBondContact O-CB 3.22Å; L248-L252 VanDerWaalsContact O-CG 3.25Å; L248-L252 WeakPolarHBondContact O-CG 3.42Å; L248-L252 PolarHBondContact O-N 2.92Å; R249-L252 PolarHBondContact O-N 3.28Å; L252-I255 HydrophobicContact CD2-CD1 4.05Å; L252-I255 VanDerWaalsContact O-CG1 3.29Å; L252-I255 WeakPolarHBondContact O-CG1 3.34Å; L252-I255 PolarHBondContact O-N 3.47Å; L252-G256 PolarHBondContact O-N 2.6Å; L252-V257 HydrophobicContact CB-CB 4.32Å; L252-V257 HydrophobicContact CD2-CB 4.04Å; L252-V257 HydrophobicContact CD2-CG1 3.98Å; L252-V257 HydrophobicContact CD2-CG2 4.43Å; L252-V257 PolarHBondContact O-N 3.36Å; L252-L259 HydrophobicContact CD1-CD1 4.32Å
253Q77.8Confident71.4Confident138 Ų13854.9 Ų54.965%0.64531%0.313SS*.Hα-helixtrans-63.9-41.9175.4-177.1174.5-9.700111.4R249 E250 Y251 I255 G256R249-Q253 VanDerWaalsContact O-CB 3.27Å; R249-Q253 WeakPolarHBondContact O-CB 3.36Å; R249-Q253 PolarHBondContact O-N 2.81Å; E250-Q253 PolarHBondContact O-N 3.17Å; Y251-Q253 VanDerWaalsContact C-N 3.32Å; Y251-Q253 PolarHBondContact O-N 3.46Å; Q253-I255 VanDerWaalsContact C-N 3.32Å; Q253-I255 PolarHBondContact O-N 2.9Å; Q253-G256 PolarHBondContact O-N 3.1Å; Q253-G256 VanDerWaalsContact O-N 3.08Å
254N76Confident71.4Confident116 Ų11657.6 Ų57.662%0.6232%0.323SS*.Hα-helixtrans-64-35.6178.7-73.2-16.5000112.3E250 Y251 G256E250-N254 VanDerWaalsContact O-CB 3.26Å; E250-N254 WeakPolarHBondContact O-CB 3.43Å; E250-N254 PolarHBondContact O-N 3.45Å; E250-N254 PolarHBondContact O-ND2 3.46Å; E250-N254 PolarHBondContact O-OD1 3.22Å; Y251-N254 WeakPolarHBondContact O-CB 3.41Å; Y251-N254 PolarHBondContact O-N 3.24Å; Y251-N254 VanDerWaalsContact O-N 3.15Å; N254-G256 VanDerWaalsContact C-N 3.29Å
255I71.3Confident71.2Confident38 Ų3857.7 Ų57.720%0.19532%0.324CS..THydrogen-bonded Turntrans-87.37.2175.568.6-176.8000113.2I210 Y251 L252 Q253 V257I210-I255 HydrophobicContact CD1-CB 3.91Å; I210-I255 HydrophobicContact CD1-CD1 3.26Å; I210-I255 HydrophobicContact CD1-CG1 3.51Å; Y251-I255 HydrophobicContact CD1-CD1 4.11Å; Y251-I255 HydrophobicContact CD2-CG2 4.39Å; Y251-I255 HydrophobicContact CE1-CD1 3.62Å; Y251-I255 HydrophobicContact CE2-CG2 4.02Å; Y251-I255 WeakPolarHBondContact O-CG1 3.47Å; Y251-I255 PolarHBondContact O-N 3.02Å; L252-I255 HydrophobicContact CD2-CD1 4.05Å; L252-I255 VanDerWaalsContact O-CG1 3.29Å; L252-I255 WeakPolarHBondContact O-CG1 3.34Å; L252-I255 PolarHBondContact O-N 3.47Å; Q253-I255 VanDerWaalsContact C-N 3.32Å; Q253-I255 PolarHBondContact O-N 2.9Å; I255-V257 HydrophobicContact CD1-CG2 4.11Å; I255-V257 HydrophobicContact CG1-CB 4.34Å; I255-V257 HydrophobicContact CG1-CG2 3.92Å; I255-V257 PolarHBondContact O-N 3.36Å
256G72.1Confident70.6Confident54 Ų5460.6 Ų60.656%0.55733%0.333SS*.THydrogen-bonded Turntrans76.616.4174.900000115.4L252 Q253 N254L252-G256 PolarHBondContact O-N 2.6Å; Q253-G256 PolarHBondContact O-N 3.1Å; Q253-G256 VanDerWaalsContact O-N 3.08Å; N254-G256 VanDerWaalsContact C-N 3.29Å
257V75.5Confident69.4Low8 Ų858.2 Ų58.25%0.04831%0.313CS..  trans-84.7127.7175.71720000110.3I210 V227 V229 L252 I255 L259I210-V257 HydrophobicContact CD1-CG2 3.24Å; I210-V257 HydrophobicContact CG1-CG2 3.6Å; V227-V257 HydrophobicContact CB-CG2 4.11Å; V227-V257 HydrophobicContact CG1-CG2 3.92Å; V229-V257 HydrophobicContact CB-CG1 4.03Å; V229-V257 HydrophobicContact CG2-CG1 3.61Å; L252-V257 HydrophobicContact CB-CB 4.32Å; L252-V257 HydrophobicContact CD2-CB 4.04Å; L252-V257 HydrophobicContact CD2-CG1 3.98Å; L252-V257 HydrophobicContact CD2-CG2 4.43Å; L252-V257 PolarHBondContact O-N 3.36Å; I255-V257 HydrophobicContact CD1-CG2 4.11Å; I255-V257 HydrophobicContact CG1-CB 4.34Å; I255-V257 HydrophobicContact CG1-CG2 3.92Å; I255-V257 PolarHBondContact O-N 3.36Å; V257-L259 PolarHBondContact O-N 2.93Å
258T72.3Confident68Low44 Ų4458.9 Ų58.927%0.2732%0.317SS..EExtended strand (participates in β ladder)trans-78.6124173.5-53.30000110I228 V229 L260 I267I228-T258 WeakPolarHBondContact CA-O 3.34Å; I228-T258 WeakPolarHBondContact CG2-O 3.27Å; V229-T258 PolarHBondContact N-O 3.32Å; T258-L260 HydrophobicContact CG2-CD2 4.23Å; T258-I267 HydrophobicContact CG2-CD1 3.81Å
259L71.7Confident66.8Low45 Ų4564.3 Ų64.324%0.23635%0.346CS..EExtended strand (participates in β ladder)trans-90.1113.3170.8-178.268.9000109.8V229 W231 L244 R249 L252 V257 T261V229-L259 HydrophobicContact CB-CD1 4.05Å; V229-L259 HydrophobicContact CG1-CD1 3.62Å; V229-L259 CarbonylContact O-C 3.44Å; V229-L259 WeakPolarHBondContact O-CA 3.13Å; W231-L259 HydrophobicContact CB-CD1 3.79Å; L244-L259 HydrophobicContact CD2-CD1 3.98Å; L244-L259 HydrophobicContact CD2-CD2 3.39Å; L244-L259 HydrophobicContact CD2-CG 4.35Å; R249-L259 HydrophobicContact CG-CD2 4.11Å; L252-L259 HydrophobicContact CD1-CD1 4.32Å; V257-L259 PolarHBondContact O-N 2.93Å; L259-T261 HydrophobicContact CD2-CG2 4.18Å; L259-T261 HydrophobicContact CG-CG2 4.15Å
260L69.6Low65.2Low25 Ų2567.8 Ų67.813%0.13138%0.375CS..EExtended strand (participates in β ladder)trans-91.7127.6170.6-62.8178.1000109.6I228 V229 W231 T258 P265 I267I228-L260 HydrophobicContact CG2-CD1 3.51Å; I228-L260 HydrophobicContact CG2-CG 3.65Å; V229-L260 PolarHBondContact O-N 2.84Å; W231-L260 WeakPolarHBondContact CA-O 3.32Å; W231-L260 PolarHBondContact N-O 3.5Å; T258-L260 HydrophobicContact CG2-CD2 4.23Å; L260-P265 VanDerWaalsContact CD1-O 3.28Å; L260-P265 WeakPolarHBondContact CD1-O 3.37Å; L260-I267 HydrophobicContact CD1-CD1 4.28Å; L260-I267 HydrophobicContact CD1-CG1 4.16Å; L260-I267 HydrophobicContact CD2-CD1 3.68Å; L260-I267 HydrophobicContact CD2-CG1 3.53Å; L260-I267 HydrophobicContact CG-CD1 4.28Å; L260-I267 HydrophobicContact CG-CG1 4.38Å
261T66.5Low63.5Low56 Ų5667.7 Ų67.734%0.34438%0.379SS..  trans-111-8.2177.559.10000113.9W231 L259W231-T261 HydrophobicContact CB-CG2 4.49Å; W231-T261 CarbonylContact O-C 3.52Å; W231-T261 WeakPolarHBondContact O-CA 3.47Å; L259-T261 HydrophobicContact CD2-CG2 4.18Å; L259-T261 HydrophobicContact CG-CG2 4.15Å
262G61.4Low62.1Low39 Ų3966.2 Ų66.240%0.40238%0.375SS..SBendtrans-93.1163.3-179.800000112.1H230 L232 H264H230-G262 PolarHBondContact NE2-O 3.3Å; L232-G262 WeakPolarHBondContact CD2-O 3.48Å; G262-H264 PolarHBondContact O-N 3.25Å
263S60.2Low60.4Low56 Ų5671.3 Ų71.339%0.39241%0.408SS..SBendtrans-69.9-11.8178.5510000115S74 P265S74-S263 WeakPolarHBondContact CB-O 3.27Å; S263-P265 WeakPolarHBondContact O-CD 3.33Å
264H60Low58.3Low136 Ų13668.5 Ų68.563%0.6341%0.408SS*.  trans-95.9112.1177.6-59.596.5000109.6G262 W266G262-H264 PolarHBondContact O-N 3.25Å; H264-W266 PolarHBondContact O-N 3.46Å
265P58.6Low56.6Low8 Ų867.9 Ų67.95%0.05240%0.404CS..  trans-72.6-13.1177.429.5-34.3000112.6S74 Y75 L260 S263 I267S74-P265 VanDerWaalsContact OG-CD 3.22Å; S74-P265 WeakPolarHBondContact OG-CD 3.41Å; S74-P265 WeakPolarHBondContact OG-CG 3.44Å; Y75-P265 HydrophobicContact CD1-CG 4.19Å; Y75-P265 HydrophobicContact CD2-CG 4.37Å; Y75-P265 HydrophobicContact CE1-CB 3.93Å; Y75-P265 HydrophobicContact CE1-CG 3.7Å; Y75-P265 HydrophobicContact CE2-CB 4.11Å; Y75-P265 HydrophobicContact CE2-CG 3.89Å; Y75-P265 HydrophobicContact CG-CG 4.49Å; Y75-P265 VanDerWaalsContact CZ-CB 3.47Å; Y75-P265 WeakPolarHBondContact OH-CB 3.47Å; L260-P265 VanDerWaalsContact CD1-O 3.28Å; L260-P265 WeakPolarHBondContact CD1-O 3.37Å; S263-P265 WeakPolarHBondContact O-CD 3.33Å; P265-I267 PolarHBondContact O-N 3.11Å
266W58.1Low54.7Low98 Ų9872.8 Ų72.837%0.37143%0.429SS..  trans-77.5107.7-174.8-51.4112.6000110.7S74 Y75 R78 H264 N268S74-W266 PolarHBondContact O-NE1 3.4Å; Y75-W266 AromaticContact CD1-CH2 3.66Å; Y75-W266 HydrophobicContact CD1-CH2 3.66Å; Y75-W266 AromaticContact CD1-CZ2 3.71Å; Y75-W266 HydrophobicContact CD1-CZ2 3.71Å; Y75-W266 AromaticContact CE1-CH2 3.96Å; Y75-W266 HydrophobicContact CE1-CH2 3.96Å; Y75-W266 HydrophobicContact CE1-CZ2 4.22Å; R78-W266 HydrophobicContact CB-CH2 4.44Å; R78-W266 HydrophobicContact CG-CH2 4.39Å; H264-W266 PolarHBondContact O-N 3.46Å; W266-N268 PolarHBondContact O-N 3.03Å
267I52.3Low53.1Low30 Ų3072.7 Ų72.715%0.15442%0.42CS..  trans-84.1104.5164.7-59.3171.5000106.4I228 T258 L260 P265 I272I228-I267 HydrophobicContact CD1-CD1 3.86Å; T258-I267 HydrophobicContact CG2-CD1 3.81Å; L260-I267 HydrophobicContact CD1-CD1 4.28Å; L260-I267 HydrophobicContact CD1-CG1 4.16Å; L260-I267 HydrophobicContact CD2-CD1 3.68Å; L260-I267 HydrophobicContact CD2-CG1 3.53Å; L260-I267 HydrophobicContact CG-CD1 4.28Å; L260-I267 HydrophobicContact CG-CG1 4.38Å; P265-I267 PolarHBondContact O-N 3.11Å; I267-I272 HydrophobicContact CG2-CB 4.47Å; I267-I272 HydrophobicContact CG2-CD1 3.86Å; I267-I272 HydrophobicContact CG2-CG1 3.19Å
268N47Very low51.2Low107 Ų10778.3 Ų78.357%0.57244%0.444SS*.  trans-59.8142.4158.3-79.1-26.9000107.4W266 C270 D271W266-N268 PolarHBondContact O-N 3.03Å; N268-C270 PolarHBondContact O-N 3.43Å; N268-D271 PolarHBondContact O-N 3.18Å
269N47.9Very low49.8Very low126 Ų12680.2 Ų80.267%0.67446%0.459SS*.THydrogen-bonded Turntrans-50-24175.9-78.4-10.1000112.8
270C40.5Very low48.6Very low117 Ų11779.5 Ų79.579%0.79146%0.457SS*.THydrogen-bonded Turntrans-77.3-27.3178.8-59.20000114.8N268N268-C270 PolarHBondContact O-N 3.43Å
271D43.5Very low47.5Very low112 Ų11283.3 Ų83.360%0.59948%0.477SS*.THydrogen-bonded Turntrans-93.2-1.7-173.4-64-40.7000113N268 P273N268-D271 PolarHBondContact O-N 3.18Å; D271-P273 WeakPolarHBondContact O-CD 3.27Å
272I47.5Very low46.8Very low37 Ų3782.3 Ų82.319%0.1947%0.469CS..SBendtrans-66114.5163.2-56.2169.2000103.9I267 A274I267-I272 HydrophobicContact CG2-CB 4.47Å; I267-I272 HydrophobicContact CG2-CD1 3.86Å; I267-I272 HydrophobicContact CG2-CG1 3.19Å; I272-A274 PolarHBondContact O-N 3.13Å
273P38.6Very low46.7Very low107 Ų10785.2 Ų85.270%0.69548%0.479SS*.  trans-52120.5158.424.5-30.1000102.6D271 I275D271-P273 WeakPolarHBondContact O-CD 3.27Å; P273-I275 PolarHBondContact O-N 3.46Å
274A34.2Very low47.2Very low79 Ų7983.7 Ų83.765%0.65347%0.467SS*.  trans-54.392.1172.300000104.8I272 I276I272-A274 PolarHBondContact O-N 3.13Å; A274-I276 HydrophobicContact CB-CG1 4.28Å; A274-I276 PolarHBondContact O-N 3.46Å
275I38.8Very low47.9Very low104 Ų10479.4 Ų79.453%0.53345%0.452SS..  trans-49.398.7130.8-55.817600097.9P273 S277P273-I275 PolarHBondContact O-N 3.46Å; I275-S277 PolarHBondContact O-N 2.79Å
276I32.4Very low48.7Very low140 Ų14079 Ų7972%0.71845%0.45SS*.  trans-58.577.4159.4-57.8165.3000100.3A274 K278A274-I276 HydrophobicContact CB-CG1 4.28Å; A274-I276 PolarHBondContact O-N 3.46Å; I276-K278 HydrophobicContact CG2-CG 4.46Å; I276-K278 PolarHBondContact O-N 2.94Å
277S38.2Very low49.4Very low52 Ų5278.7 Ų78.736%0.36445%0.449SS..  trans-6190.6151.4178.8000097.7Y223 I275 S279Y223-S277 VanDerWaalsContact OH-CB 3.24Å; Y223-S277 WeakPolarHBondContact OH-CB 3.44Å; I275-S277 PolarHBondContact O-N 2.79Å; S277-S279 PolarHBondContact O-N 2.78Å
278K36.2Very low50.1Low127 Ų12782.4 Ų82.455%0.55247%0.468SS*.  trans-36.6118.5167.8-64.4174.2175.4179.40102.8I276 P280 N281I276-K278 HydrophobicContact CG2-CG 4.46Å; I276-K278 PolarHBondContact O-N 2.94Å; K278-P280 CarbonylContact O-C 3.51Å; K278-P280 VanDerWaalsContact O-CA 3.3Å; K278-P280 WeakPolarHBondContact O-CA 3.41Å; K278-N281 HydrophobicContact CB-CB 3.9Å; K278-N281 WeakPolarHBondContact CB-OD1 3.26Å; K278-N281 HydrophobicContact CD-CB 4.5Å; K278-N281 VanDerWaalsContact CD-CG 3.49Å; K278-N281 WeakPolarHBondContact CD-ND2 3.26Å; K278-N281 VanDerWaalsContact CD-OD1 3.28Å; K278-N281 WeakPolarHBondContact CD-OD1 3.23Å; K278-N281 PolarHBondContact O-N 3.36Å
279S42.6Very low51.1Low84 Ų8477.6 Ų77.659%0.58744%0.443SS*.G310 helixtrans-12.1108.8173.546.70000109S277 N281S277-S279 PolarHBondContact O-N 2.78Å; S279-N281 VanDerWaalsContact C-N 3.31Å; S279-N281 WeakPolarHBondContact O-CA 3.46Å; S279-N281 PolarHBondContact O-N 2.89Å
280P46.9Very low51.8Low30 Ų3071.9 Ų71.920%0.19541%0.412CS..G310 helixtrans-24.898.9-150.514.8-32.9000107.9K278 H282K278-P280 CarbonylContact O-C 3.51Å; K278-P280 VanDerWaalsContact O-CA 3.3Å; K278-P280 WeakPolarHBondContact O-CA 3.41Å; P280-H282 VanDerWaalsContact O-CA 3.28Å; P280-H282 WeakPolarHBondContact O-CA 3.48Å; P280-H282 WeakPolarHBondContact O-CB 3.25Å; P280-H282 PolarHBondContact O-CD2 2.93Å; P280-H282 PolarHBondContact O-N 3.23Å
281N45.3Very low52.7Low104 Ų10470.8 Ų70.856%0.55640%0.398SS*.G310 helixtrans-6076.7-153.6-149.140.9000109K278 S279 T283K278-N281 HydrophobicContact CB-CB 3.9Å; K278-N281 WeakPolarHBondContact CB-OD1 3.26Å; K278-N281 HydrophobicContact CD-CB 4.5Å; K278-N281 VanDerWaalsContact CD-CG 3.49Å; K278-N281 WeakPolarHBondContact CD-ND2 3.26Å; K278-N281 VanDerWaalsContact CD-OD1 3.28Å; K278-N281 WeakPolarHBondContact CD-OD1 3.23Å; K278-N281 PolarHBondContact O-N 3.36Å; S279-N281 VanDerWaalsContact C-N 3.31Å; S279-N281 WeakPolarHBondContact O-CA 3.46Å; S279-N281 PolarHBondContact O-N 2.89Å; N281-T283 PolarHBondContact O-N 3.11Å
282H53.1Low53.5Low36 Ų3666.3 Ų66.317%0.16738%0.375CS..  trans-71115.4-163.1-78.4-57.7000101P280 V284 D388 R392P280-H282 VanDerWaalsContact O-CA 3.28Å; P280-H282 WeakPolarHBondContact O-CA 3.48Å; P280-H282 WeakPolarHBondContact O-CB 3.25Å; P280-H282 PolarHBondContact O-CD2 2.93Å; P280-H282 PolarHBondContact O-N 3.23Å; H282-V284 CarbonylContact O-C 3.57Å; H282-V284 PolarHBondContact O-N 3.48Å; H282-D388 PolarHBondContact CD2-O 3.12Å; H282-R392 PolarHBondContact CD2-NH2 3.18Å; H282-R392 VanDerWaalsContact CD2-NH2 3.32Å; H282-R392 VanDerWaalsContact CG-NH2 3.34Å
283T59.7Low54.1Low99 Ų9965 Ų6561%0.60737%0.369SS*.SBendtrans-49.5-27.2-177.444.20000111N281 V559N281-T283 PolarHBondContact O-N 3.11Å; T283-V559 WeakPolarHBondContact OG1-CG1 3.28Å; T283-V559 PolarHBondContact OG1-O 3.39Å
284V68.7Low55.2Low25 Ų2562.7 Ų62.715%0.15235%0.347CS..SBendtrans-118114.5174.4-172.30000111H282 L289 R392 L526 V559 L560H282-V284 CarbonylContact O-C 3.57Å; H282-V284 PolarHBondContact O-N 3.48Å; V284-L289 HydrophobicContact CG1-CD1 4.1Å; V284-R392 PolarHBondContact O-NH1 2.83Å; V284-R392 PolarHBondContact O-NH2 3.11Å; V284-L526 HydrophobicContact CG2-CD1 3.72Å; V284-L526 HydrophobicContact CG2-CD2 4.44Å; V284-V559 HydrophobicContact CG2-CG1 4.39Å; V284-L560 HydrophobicContact CB-CD2 3.89Å; V284-L560 HydrophobicContact CG2-CD2 4.25Å
285S75.7Confident56.7Low45 Ų4561 Ų6132%0.31533%0.325SS..  trans-74.4127.8166.3170.50000110.2R287 D388S285-R287 VanDerWaalsContact C-N 3.33Å; S285-R287 PolarHBondContact OG-N 2.72Å; S285-D388 WeakPolarHBondContact CA-OD1 3.3Å; S285-D388 WeakPolarHBondContact CB-OD2 3.09Å; S285-D388 PolarHBondContact OG-OD2 3.41Å
286L75.9Confident58.5Low0 Ų056.2 Ų56.20%030%0.3CS..SBendtrans-77.8-18.2176.9-60-176.3000112.4N288 L289 I290 V387 D388 R392 V486 V488 V521 L523L286-N288 VanDerWaalsContact C-N 3.27Å; L286-N288 PolarHBondContact O-N 3.33Å; L286-L289 HydrophobicContact CD2-CD1 4.02Å; L286-L289 WeakPolarHBondContact O-CB 3.49Å; L286-L289 PolarHBondContact O-N 2.85Å; L286-I290 WeakPolarHBondContact O-CG1 3.36Å; L286-I290 PolarHBondContact O-N 3.13Å; L286-V387 HydrophobicContact CB-CG1 3.95Å; L286-V387 HydrophobicContact CB-CG2 3.85Å; L286-V387 HydrophobicContact CD1-CG2 3.91Å; L286-D388 PolarHBondContact N-OD1 3.11Å; L286-R392 HydrophobicContact CD1-CG 4.03Å; L286-V486 HydrophobicContact CD1-CG1 4.26Å; L286-V488 HydrophobicContact CD1-CG1 4.03Å; L286-V521 HydrophobicContact CD2-CG1 4.19Å; L286-L523 HydrophobicContact CD2-CD1 4.37Å; L286-L523 HydrophobicContact CD2-CD2 3.57Å
287R71.7Confident60.4Low92 Ų9250.6 Ų50.635%0.34727%0.269SS..Hα-helixtrans-54.7-42.8-178.8-74176.9-179.4174.26112.6S285 L289 I290 Y384 S385 V387 D388S285-R287 VanDerWaalsContact C-N 3.33Å; S285-R287 PolarHBondContact OG-N 2.72Å; R287-L289 PolarHBondContact O-N 3.28Å; R287-I290 PolarHBondContact O-N 3.14Å; R287-Y384 HydrophobicContact CB-CE2 4.25Å; R287-Y384 VanDerWaalsContact O-CE2 3.3Å; R287-Y384 WeakPolarHBondContact O-CE2 3.43Å; R287-S385 PolarHBondContact NE-O 3.45Å; R287-S385 PolarHBondContact NH2-O 3Å; R287-V387 HydrophobicContact CG-CG1 3.68Å; R287-D388 WeakPolarHBondContact CG-OD2 3.42Å; R287-D388 IonicContact NE-OD2 2.63Å
288N67.7Low62.1Low107 Ų10753.8 Ų53.857%0.57228%0.277SS*.Hα-helixtrans-69.6-13-179.4-66-22.5000113.4L286L286-N288 VanDerWaalsContact C-N 3.27Å; L286-N288 PolarHBondContact O-N 3.33Å
289L67.4Low64.4Low7 Ų749.9 Ų49.94%0.03726%0.26CS..Hα-helixtrans-98.7-19.5-174.9-67.2149.3000112.5V284 L286 R287 V293 F335 V521 L523V284-L289 HydrophobicContact CG1-CD1 4.1Å; L286-L289 HydrophobicContact CD2-CD1 4.02Å; L286-L289 WeakPolarHBondContact O-CB 3.49Å; L286-L289 PolarHBondContact O-N 2.85Å; R287-L289 PolarHBondContact O-N 3.28Å; L289-V293 WeakPolarHBondContact O-CG2 3.48Å; L289-F335 HydrophobicContact CD2-CD1 3.98Å; L289-F335 HydrophobicContact CD2-CD2 4.43Å; L289-F335 HydrophobicContact CD2-CE1 3.27Å; L289-F335 HydrophobicContact CD2-CE2 3.81Å; L289-F335 HydrophobicContact CD2-CZ 3.2Å; L289-F335 HydrophobicContact CG-CE1 4.05Å; L289-F335 HydrophobicContact CG-CZ 4.34Å; L289-V521 HydrophobicContact CB-CG1 4.47Å; L289-L523 HydrophobicContact CD1-CD2 3.27Å; L289-L523 HydrophobicContact CD2-CD2 4.23Å; L289-L523 HydrophobicContact CG-CD2 4.2Å
290I64Low66.4Low6 Ų645.9 Ų45.93%0.03123%0.232CC..Hα-helixtrans-78.8-39.3-172.8-65.9165.2000113.1L286 R287 V293 Y294 Y384 V387L286-I290 WeakPolarHBondContact O-CG1 3.36Å; L286-I290 PolarHBondContact O-N 3.13Å; R287-I290 PolarHBondContact O-N 3.14Å; I290-V293 WeakPolarHBondContact O-CA 3.22Å; I290-V293 VanDerWaalsContact O-CB 3.27Å; I290-V293 WeakPolarHBondContact O-CB 3.46Å; I290-V293 PolarHBondContact O-N 3.24Å; I290-Y294 HydrophobicContact CG2-CD2 4.49Å; I290-Y294 HydrophobicContact CG2-CE2 4.07Å; I290-Y384 HydrophobicContact CB-CD2 4.47Å; I290-V387 HydrophobicContact CD1-CB 3.67Å; I290-V387 HydrophobicContact CD1-CG1 3.57Å; I290-V387 HydrophobicContact CD1-CG2 3.75Å
291L57.6Low68.1Low93 Ų9347.1 Ų47.149%0.48724%0.237SC..Hα-helixtrans-60-45.4-174.2-109.8133.6000113.2V293 Y294 Y384L291-V293 PolarHBondContact O-N 3.22Å; L291-Y294 PolarHBondContact O-N 3.15Å; L291-Y384 HydrophobicContact CD1-CE2 3.72Å
292P61.1Low70Confident19 Ų1945.8 Ų45.812%0.12324%0.236CC..Hα-helixtrans-61.7-24.8173.1-23.434.1000114F296 L331P292-F296 WeakPolarHBondContact O-CB 3.48Å; P292-F296 PolarHBondContact O-N 3.47Å; P292-F296 VanDerWaalsContact O-N 3.12Å; P292-L331 HydrophobicContact CB-CD1 4.2Å; P292-L331 HydrophobicContact CB-CD2 3.68Å
293V60.6Low71.7Confident8 Ų844.8 Ų44.85%0.04823%0.231CC..Hα-helixtrans-71.4-30.9-175.6-179.80000112.1L289 I290 L291 K295 F296 R297 F379L289-V293 WeakPolarHBondContact O-CG2 3.48Å; I290-V293 WeakPolarHBondContact O-CA 3.22Å; I290-V293 VanDerWaalsContact O-CB 3.27Å; I290-V293 WeakPolarHBondContact O-CB 3.46Å; I290-V293 PolarHBondContact O-N 3.24Å; L291-V293 PolarHBondContact O-N 3.22Å; V293-K295 PolarHBondContact O-N 2.94Å; V293-F296 CarbonylContact O-C 3.46Å; V293-F296 WeakPolarHBondContact O-CB 3.27Å; V293-F296 PolarHBondContact O-N 2.95Å; V293-R297 WeakPolarHBondContact O-CB 3.48Å; V293-R297 PolarHBondContact O-N 3.19Å; V293-F379 HydrophobicContact CB-CE1 4.2Å; V293-F379 HydrophobicContact CB-CZ 4.49Å; V293-F379 HydrophobicContact CG1-CE1 3.8Å; V293-F379 HydrophobicContact CG1-CZ 3.6Å
294Y61.8Low72.8Confident60 Ų6041 Ų4124%0.23521%0.208CC..Hα-helixtrans-58.5-48.5175.7-81.4-87.5000112.5I290 L291 F296 R297 K298 F379I290-Y294 HydrophobicContact CG2-CD2 4.49Å; I290-Y294 HydrophobicContact CG2-CE2 4.07Å; L291-Y294 PolarHBondContact O-N 3.15Å; Y294-F296 VanDerWaalsContact C-N 3.35Å; Y294-R297 WeakPolarHBondContact O-CB 3.14Å; Y294-R297 PolarHBondContact O-N 3.39Å; Y294-K298 PolarHBondContact O-N 3.23Å; Y294-F379 HydrophobicContact CD1-CB 4.16Å; Y294-F379 AromaticContact CD1-CD1 3.52Å; Y294-F379 HydrophobicContact CD1-CD1 3.52Å; Y294-F379 HydrophobicContact CD1-CE1 4.34Å; Y294-F379 AromaticContact CD1-CG 3.96Å; Y294-F379 HydrophobicContact CD1-CG 3.96Å; Y294-F379 AromaticContact CD2-CD1 3.82Å; Y294-F379 HydrophobicContact CD2-CD1 3.82Å; Y294-F379 HydrophobicContact CD2-CE1 4.26Å; Y294-F379 HydrophobicContact CE1-CB 3.4Å; Y294-F379 AromaticContact CE1-CD1 3.41Å; Y294-F379 HydrophobicContact CE1-CD1 3.41Å; Y294-F379 VanDerWaalsContact CE1-CD1 3.41Å; Y294-F379 AromaticContact CE1-CG 3.67Å; Y294-F379 HydrophobicContact CE1-CG 3.67Å; Y294-F379 AromaticContact CE2-CD1 3.71Å; Y294-F379 HydrophobicContact CE2-CD1 3.71Å; Y294-F379 HydrophobicContact CE2-CE1 4.48Å; Y294-F379 AromaticContact CG-CD1 3.75Å; Y294-F379 HydrophobicContact CG-CD1 3.75Å; Y294-F379 HydrophobicContact CG-CE1 4.22Å; Y294-F379 AromaticContact CZ-CD1 3.54Å; Y294-F379 VanDerWaalsContact OH-CA 3.29Å; Y294-F379 WeakPolarHBondContact OH-CA 3.24Å
295K65.9Low73.4Confident44 Ų4445.2 Ų45.219%0.19123%0.226CC..Hα-helixtrans-69-39178.6-66.9170.5163.3-157.70110.7V293 R297 K298 F299 L345 L350V293-K295 PolarHBondContact O-N 2.94Å; K295-R297 VanDerWaalsContact C-N 3.28Å; K295-R297 PolarHBondContact O-N 3.42Å; K295-K298 PolarHBondContact O-N 3.08Å; K295-F299 PolarHBondContact O-N 3.49Å; K295-L345 PolarHBondContact NZ-O 2.63Å; K295-L350 HydrophobicContact CB-CD2 3.57Å; K295-L350 HydrophobicContact CD-CB 3.92Å; K295-L350 HydrophobicContact CD-CD2 4.04Å; K295-L350 WeakPolarHBondContact CD-O 3.44Å; K295-L350 WeakPolarHBondContact CE-O 3.28Å; K295-L350 HydrophobicContact CG-CD2 4.45Å; K295-L350 WeakPolarHBondContact CG-O 3.49Å; K295-L350 PolarHBondContact NZ-O 3.38Å
296F75.3Confident73.4Confident2 Ų245.2 Ų45.21%0.00922%0.219CC..Hα-helixtrans-58.4-37.5172.9-172-115.4000112.3P292 V293 Y294 F299 L300 I324 L327 L328 L331 I522P292-F296 WeakPolarHBondContact O-CB 3.48Å; P292-F296 PolarHBondContact O-N 3.47Å; P292-F296 VanDerWaalsContact O-N 3.12Å; V293-F296 CarbonylContact O-C 3.46Å; V293-F296 WeakPolarHBondContact O-CB 3.27Å; V293-F296 PolarHBondContact O-N 2.95Å; Y294-F296 VanDerWaalsContact C-N 3.35Å; F296-F299 HydrophobicContact CD2-CD1 4.31Å; F296-F299 HydrophobicContact CE2-CD1 4.34Å; F296-F299 WeakPolarHBondContact O-CB 3.38Å; F296-F299 PolarHBondContact O-N 3.34Å; F296-L300 HydrophobicContact CD1-CD1 3.72Å; F296-L300 HydrophobicContact CD1-CG 4.11Å; F296-L300 HydrophobicContact CE1-CD1 3.41Å; F296-L300 VanDerWaalsContact CE1-CD1 3.41Å; F296-L300 HydrophobicContact CE1-CD2 4.09Å; F296-L300 HydrophobicContact CE1-CG 3.82Å; F296-L300 HydrophobicContact CE2-CD2 4.35Å; F296-L300 HydrophobicContact CE2-CG 4.42Å; F296-L300 HydrophobicContact CZ-CD1 4.03Å; F296-L300 HydrophobicContact CZ-CD2 3.82Å; F296-L300 HydrophobicContact CZ-CG 3.97Å; F296-L300 WeakPolarHBondContact O-CG 3.49Å; F296-L300 PolarHBondContact O-N 2.88Å; F296-I324 HydrophobicContact CE2-CG2 4.25Å; F296-I324 HydrophobicContact CZ-CG2 3.95Å; F296-L327 HydrophobicContact CD2-CD2 3.63Å; F296-L327 HydrophobicContact CD2-CG 4.06Å; F296-L327 HydrophobicContact CE2-CD2 4.15Å; F296-L327 HydrophobicContact CE2-CG 4.39Å; F296-L328 HydrophobicContact CD2-CD2 4.36Å; F296-L328 HydrophobicContact CE1-CD2 3.88Å; F296-L328 HydrophobicContact CE2-CD2 3.67Å; F296-L328 HydrophobicContact CE2-CG 3.75Å; F296-L328 HydrophobicContact CZ-CD1 4Å; F296-L328 HydrophobicContact CZ-CD2 3.39Å; F296-L328 HydrophobicContact CZ-CG 3.61Å; F296-L331 HydrophobicContact CB-CD1 4.47Å; F296-L331 HydrophobicContact CD2-CD1 4.29Å; F296-L331 HydrophobicContact CG-CD1 4.49Å; F296-I522 HydrophobicContact CD1-CD1 4.04Å; F296-I522 HydrophobicContact CE1-CD1 3.4Å; F296-I522 VanDerWaalsContact CE1-CD1 3.4Å; F296-I522 HydrophobicContact CZ-CD1 4.25Å
297R73.2Confident73.1Confident22 Ų2250.5 Ų50.58%0.08324%0.244CC..Hα-helixtrans-64.9-48177.2170.1163.1-165.5-159.52.7113.3V293 Y294 K295 F299 L300 N301 H519V293-R297 WeakPolarHBondContact O-CB 3.48Å; V293-R297 PolarHBondContact O-N 3.19Å; Y294-R297 WeakPolarHBondContact O-CB 3.14Å; Y294-R297 PolarHBondContact O-N 3.39Å; K295-R297 VanDerWaalsContact C-N 3.28Å; K295-R297 PolarHBondContact O-N 3.42Å; R297-F299 PolarHBondContact O-N 3.38Å; R297-L300 PolarHBondContact O-N 2.88Å; R297-L300 VanDerWaalsContact O-N 3.15Å; R297-N301 VanDerWaalsContact O-CG 3.27Å; R297-N301 PolarHBondContact O-N 3.11Å; R297-H519 PolarHBondContact NH2-NE2 3.23Å
298K74Confident72.7Confident120 Ų12052.9 Ų52.952%0.52226%0.263SS..Hα-helixtrans-58.6-40.7176-172.9177.9-176.1177.40110.7Y294 K295 N301 S302 C352Y294-K298 PolarHBondContact O-N 3.23Å; K295-K298 PolarHBondContact O-N 3.08Å; K298-N301 PolarHBondContact O-N 3.16Å; K298-S302 PolarHBondContact O-N 2.71Å; K298-C352 HydrophobicContact CD-CB 3.91Å; K298-C352 PolarHBondContact NZ-SG 3.38Å
299F83.3Confident72.5Confident44 Ų4454.1 Ų54.119%0.19328%0.275CS..Hα-helixtrans-62.6-46.9174.3171.3-93.5000112.2K295 F296 R297 N301 S302 F303 K323 I324 L327K295-F299 PolarHBondContact O-N 3.49Å; F296-F299 HydrophobicContact CD2-CD1 4.31Å; F296-F299 HydrophobicContact CE2-CD1 4.34Å; F296-F299 WeakPolarHBondContact O-CB 3.38Å; F296-F299 PolarHBondContact O-N 3.34Å; R297-F299 PolarHBondContact O-N 3.38Å; F299-N301 PolarHBondContact O-N 3.13Å; F299-S302 WeakPolarHBondContact O-CB 2.91Å; F299-S302 PolarHBondContact O-N 3.34Å; F299-S302 PolarHBondContact O-OG 3.09Å; F299-F303 HydrophobicContact CD1-CE2 4.12Å; F299-F303 HydrophobicContact CD2-CE2 4.34Å; F299-F303 AromaticContact CE1-CE2 3.67Å; F299-F303 HydrophobicContact CE1-CE2 3.67Å; F299-F303 HydrophobicContact CE1-CZ 4.48Å; F299-F303 AromaticContact CE2-CE2 3.92Å; F299-F303 HydrophobicContact CE2-CE2 3.92Å; F299-F303 HydrophobicContact CE2-CZ 4.18Å; F299-F303 HydrophobicContact CG-CE2 4.44Å; F299-F303 AromaticContact CZ-CE2 3.58Å; F299-F303 HydrophobicContact CZ-CE2 3.58Å; F299-F303 AromaticContact CZ-CZ 3.97Å; F299-F303 HydrophobicContact CZ-CZ 3.97Å; F299-F303 WeakPolarHBondContact O-CD2 2.97Å; F299-F303 WeakPolarHBondContact O-CE2 3.39Å; F299-K323 HydrophobicContact CZ-CB 3.85Å; F299-I324 HydrophobicContact CE1-CB 4.41Å; F299-I324 HydrophobicContact CE1-CG1 3.81Å; F299-L327 HydrophobicContact CB-CD2 4.26Å; F299-L327 HydrophobicContact CD1-CD2 3.52Å; F299-L327 HydrophobicContact CD2-CD2 4.15Å; F299-L327 HydrophobicContact CE1-CB 4.4Å; F299-L327 HydrophobicContact CE1-CD2 3.77Å; F299-L327 HydrophobicContact CE2-CD2 4.36Å; F299-L327 HydrophobicContact CG-CD2 3.71Å; F299-L327 HydrophobicContact CZ-CD2 4.16Å
300L86.1Confident72.1Confident0 Ų058.2 Ų58.20%030%0.304CS..Hα-helixtrans-59.9-42.5175.5-75.3179000112.5F296 R297 S302 F303 I324 I514 L517F296-L300 HydrophobicContact CD1-CD1 3.72Å; F296-L300 HydrophobicContact CD1-CG 4.11Å; F296-L300 HydrophobicContact CE1-CD1 3.41Å; F296-L300 VanDerWaalsContact CE1-CD1 3.41Å; F296-L300 HydrophobicContact CE1-CD2 4.09Å; F296-L300 HydrophobicContact CE1-CG 3.82Å; F296-L300 HydrophobicContact CE2-CD2 4.35Å; F296-L300 HydrophobicContact CE2-CG 4.42Å; F296-L300 HydrophobicContact CZ-CD1 4.03Å; F296-L300 HydrophobicContact CZ-CD2 3.82Å; F296-L300 HydrophobicContact CZ-CG 3.97Å; F296-L300 WeakPolarHBondContact O-CG 3.49Å; F296-L300 PolarHBondContact O-N 2.88Å; R297-L300 PolarHBondContact O-N 2.88Å; R297-L300 VanDerWaalsContact O-N 3.15Å; L300-S302 PolarHBondContact O-N 2.84Å; L300-S302 VanDerWaalsContact O-N 3.12Å; L300-F303 WeakPolarHBondContact O-CB 3.27Å; L300-F303 PolarHBondContact O-N 3.03Å; L300-I324 HydrophobicContact CD2-CD1 3.88Å; L300-I324 HydrophobicContact CD2-CG1 3.92Å; L300-I324 HydrophobicContact CD2-CG2 4.21Å; L300-I514 HydrophobicContact CB-CG2 3.94Å; L300-I514 HydrophobicContact CD2-CG2 4.33Å; L300-I514 WeakPolarHBondContact O-CG2 3.26Å; L300-L517 HydrophobicContact CD1-CB 3.73Å
301N82.6Confident72.6Confident57 Ų5760.6 Ų60.631%0.30533%0.33SS..Hα-helixtrans-59.6-25.4179.6-71.4-12.9000112.7R297 K298 F299 F303 T304R297-N301 VanDerWaalsContact O-CG 3.27Å; R297-N301 PolarHBondContact O-N 3.11Å; K298-N301 PolarHBondContact O-N 3.16Å; F299-N301 PolarHBondContact O-N 3.13Å; N301-F303 PolarHBondContact O-N 3.49Å; N301-F303 VanDerWaalsContact O-N 3.14Å; N301-T304 PolarHBondContact O-N 3.15Å; N301-T304 PolarHBondContact O-OG1 3.21Å
302S84.9Confident73.9Confident76 Ų7660.6 Ų60.653%0.53133%0.331SS..THydrogen-bonded Turntrans-65.1-13.4173.576.30000113.9K298 F299 L300K298-S302 PolarHBondContact O-N 2.71Å; F299-S302 WeakPolarHBondContact O-CB 2.91Å; F299-S302 PolarHBondContact O-N 3.34Å; F299-S302 PolarHBondContact O-OG 3.09Å; L300-S302 PolarHBondContact O-N 2.84Å; L300-S302 VanDerWaalsContact O-N 3.12Å
303F87.7Confident75.3Confident15 Ų1561 Ų617%0.06633%0.331CS..THydrogen-bonded Turntrans-108.32.2178.6-55.6-73000114F299 L300 N301 E305 F316 A320 K323 I324 W510 I514F299-F303 HydrophobicContact CD1-CE2 4.12Å; F299-F303 HydrophobicContact CD2-CE2 4.34Å; F299-F303 AromaticContact CE1-CE2 3.67Å; F299-F303 HydrophobicContact CE1-CE2 3.67Å; F299-F303 HydrophobicContact CE1-CZ 4.48Å; F299-F303 AromaticContact CE2-CE2 3.92Å; F299-F303 HydrophobicContact CE2-CE2 3.92Å; F299-F303 HydrophobicContact CE2-CZ 4.18Å; F299-F303 HydrophobicContact CG-CE2 4.44Å; F299-F303 AromaticContact CZ-CE2 3.58Å; F299-F303 HydrophobicContact CZ-CE2 3.58Å; F299-F303 AromaticContact CZ-CZ 3.97Å; F299-F303 HydrophobicContact CZ-CZ 3.97Å; F299-F303 WeakPolarHBondContact O-CD2 2.97Å; F299-F303 WeakPolarHBondContact O-CE2 3.39Å; L300-F303 WeakPolarHBondContact O-CB 3.27Å; L300-F303 PolarHBondContact O-N 3.03Å; N301-F303 PolarHBondContact O-N 3.49Å; N301-F303 VanDerWaalsContact O-N 3.14Å; F303-E305 VanDerWaalsContact C-N 3.34Å; F303-F316 HydrophobicContact CB-CZ 4.33Å; F303-F316 HydrophobicContact CD1-CE2 4.26Å; F303-F316 HydrophobicContact CD1-CZ 4.31Å; F303-A320 HydrophobicContact CB-CB 4.4Å; F303-A320 HydrophobicContact CD1-CB 3.36Å; F303-A320 HydrophobicContact CE1-CB 3.71Å; F303-A320 HydrophobicContact CG-CB 3.93Å; F303-K323 HydrophobicContact CE1-CD 4.2Å; F303-K323 HydrophobicContact CZ-CB 4.15Å; F303-K323 HydrophobicContact CZ-CD 3.91Å; F303-I324 HydrophobicContact CD2-CD1 4.25Å; F303-I324 HydrophobicContact CD2-CG1 4.29Å; F303-I324 HydrophobicContact CE2-CG1 4.21Å; F303-W510 HydrophobicContact CB-CZ2 4.28Å; F303-W510 PolarHBondContact O-NE1 2.94Å; F303-I514 HydrophobicContact CB-CG2 4.38Å
304T84.6Confident76.6Confident19 Ų1964.2 Ų64.212%0.11735%0.347CS..SBendtrans-76.8-21.6-178.753.80000113.6N301 K511 I514 Q515N301-T304 PolarHBondContact O-N 3.15Å; N301-T304 PolarHBondContact O-OG1 3.21Å; T304-K511 WeakPolarHBondContact O-CG 3.13Å; T304-I514 HydrophobicContact CG2-CB 4.12Å; T304-I514 HydrophobicContact CG2-CG2 3.64Å; T304-Q515 HydrophobicContact CG2-CG 3.82Å
305E79.7Confident78Confident113 Ų11366 Ų6653%0.52836%0.358SS..  trans-114.5122.5179.7-63.3-170.5173.600110.1F303 H307F303-E305 VanDerWaalsContact C-N 3.34Å; E305-H307 IonicContact OE2-CE1 3.57Å; E305-H307 IonicContact OE2-NE2 3.9Å
306Y76.1Confident79.2Confident46 Ų4665.9 Ų65.918%0.1836%0.358CS..  trans-96.8111.4170.6178.1-109.4000109.1N308 G311 F313 F316Y306-N308 WeakPolarHBondContact CE1-OD1 3.5Å; Y306-G311 PolarHBondContact OH-O 3.01Å; Y306-F313 HydrophobicContact CD1-CB 4.45Å; Y306-F313 AromaticContact CD1-CD2 3.82Å; Y306-F313 HydrophobicContact CD1-CD2 3.82Å; Y306-F313 HydrophobicContact CD1-CG 4.48Å; Y306-F313 AromaticContact CD2-CD2 3.8Å; Y306-F313 HydrophobicContact CD2-CD2 3.8Å; Y306-F313 HydrophobicContact CD2-CE2 4.5Å; Y306-F313 HydrophobicContact CE1-CB 4Å; Y306-F313 HydrophobicContact CE1-CD2 4.19Å; Y306-F313 HydrophobicContact CE2-CB 4.44Å; Y306-F313 HydrophobicContact CE2-CD2 4.18Å; Y306-F313 AromaticContact CG-CD2 3.61Å; Y306-F313 HydrophobicContact CG-CD2 3.61Å; Y306-F313 HydrophobicContact CG-CE2 4.15Å; Y306-F313 PolarHBondContact OH-N 3.35Å; Y306-F316 HydrophobicContact CD2-CB 3.91Å; Y306-F316 AromaticContact CD2-CD1 3.58Å; Y306-F316 HydrophobicContact CD2-CD1 3.58Å; Y306-F316 HydrophobicContact CD2-CD2 4.07Å; Y306-F316 HydrophobicContact CD2-CE1 4.07Å; Y306-F316 AromaticContact CD2-CG 3.57Å; Y306-F316 HydrophobicContact CD2-CG 3.57Å; Y306-F316 HydrophobicContact CE2-CB 3.68Å; Y306-F316 HydrophobicContact CE2-CD1 4.24Å; Y306-F316 HydrophobicContact CE2-CD2 4.46Å; Y306-F316 AromaticContact CE2-CG 3.88Å; Y306-F316 HydrophobicContact CE2-CG 3.88Å; Y306-F316 HydrophobicContact CG-CD1 4.4Å
307H69.6Low80Confident111 Ų11166 Ų6651%0.51436%0.358SS..  trans-88.8115.2172.1-59.6-59.4000109.5E305 T309 S310E305-H307 IonicContact OE2-CE1 3.57Å; E305-H307 IonicContact OE2-NE2 3.9Å; H307-T309 WeakPolarHBondContact CB-OG1 3.08Å; H307-T309 PolarHBondContact O-N 2.92Å; H307-S310 PolarHBondContact O-N 3.32Å; H307-S310 VanDerWaalsContact O-N 3.17Å; H307-S310 PolarHBondContact O-OG 3.34Å
308N63.3Low80.8Confident142 Ų14270 Ų7076%0.75938%0.376SS*.G310 helixtrans-52.1-14.8177.4-79-11.5000114.3Y306 S310Y306-N308 WeakPolarHBondContact CE1-OD1 3.5Å; N308-S310 PolarHBondContact O-N 2.78Å; N308-S310 VanDerWaalsContact O-N 3.13Å
309T63.1Low81.6Confident133 Ų13368.7 Ų68.782%0.81637%0.372SS*.G310 helixtrans-62.4-12.5175.950.50000114.1H307H307-T309 WeakPolarHBondContact CB-OG1 3.08Å; H307-T309 PolarHBondContact O-N 2.92Å
310S60.5Low82Confident93 Ų9366.7 Ų66.765%0.6536%0.363SS*.G310 helixtrans-120.53.4-159.7-23.20000116.5H307 N308H307-S310 PolarHBondContact O-N 3.32Å; H307-S310 VanDerWaalsContact O-N 3.17Å; H307-S310 PolarHBondContact O-OG 3.34Å; N308-S310 PolarHBondContact O-N 2.78Å; N308-S310 VanDerWaalsContact O-N 3.13Å
311G73Confident82.2Confident56 Ų5666.9 Ų66.958%0.57736%0.364SS*.SBendtrans133.3-139.8169.200000116.7Y306Y306-G311 PolarHBondContact OH-O 3.01Å
312D86.3Confident82.6Confident92 Ų9270.6 Ų70.649%0.49238%0.38SS..  trans-88.4126.6178173.310000110N314 Q315 F316D312-N314 PolarHBondContact O-N 3Å; D312-N314 WeakPolarHBondContact OD1-CB 3.11Å; D312-N314 PolarHBondContact OD1-N 3.23Å; D312-Q315 HydrophobicContact CB-CB 3.95Å; D312-Q315 WeakPolarHBondContact O-CB 3.43Å; D312-Q315 PolarHBondContact O-N 3.46Å; D312-Q315 VanDerWaalsContact O-N 3.12Å; D312-F316 PolarHBondContact O-N 2.97Å
313F89.9Confident82.9Confident29 Ų2972.4 Ų72.413%0.12738%0.378CS..Hα-helixtrans-59.7-33.4178.6179.5-121.6000112.3Y306 F316 K317 P507 W510Y306-F313 HydrophobicContact CD1-CB 4.45Å; Y306-F313 AromaticContact CD1-CD2 3.82Å; Y306-F313 HydrophobicContact CD1-CD2 3.82Å; Y306-F313 HydrophobicContact CD1-CG 4.48Å; Y306-F313 AromaticContact CD2-CD2 3.8Å; Y306-F313 HydrophobicContact CD2-CD2 3.8Å; Y306-F313 HydrophobicContact CD2-CE2 4.5Å; Y306-F313 HydrophobicContact CE1-CB 4Å; Y306-F313 HydrophobicContact CE1-CD2 4.19Å; Y306-F313 HydrophobicContact CE2-CB 4.44Å; Y306-F313 HydrophobicContact CE2-CD2 4.18Å; Y306-F313 AromaticContact CG-CD2 3.61Å; Y306-F313 HydrophobicContact CG-CD2 3.61Å; Y306-F313 HydrophobicContact CG-CE2 4.15Å; Y306-F313 PolarHBondContact OH-N 3.35Å; F313-F316 HydrophobicContact CD2-CD1 4Å; F313-F316 HydrophobicContact CE2-CD1 4.01Å; F313-F316 HydrophobicContact CE2-CE1 4.33Å; F313-F316 PolarHBondContact O-N 3.14Å; F313-K317 HydrophobicContact CD1-CD 4.26Å; F313-K317 HydrophobicContact CD2-CG 4.48Å; F313-K317 HydrophobicContact CE1-CD 3.65Å; F313-K317 HydrophobicContact CE1-CG 4.22Å; F313-K317 HydrophobicContact CE2-CD 4.36Å; F313-K317 HydrophobicContact CE2-CG 4.05Å; F313-K317 HydrophobicContact CZ-CD 3.7Å; F313-K317 HydrophobicContact CZ-CG 3.89Å; F313-K317 WeakPolarHBondContact O-CG 3.37Å; F313-K317 PolarHBondContact O-N 3.2Å; F313-P507 HydrophobicContact CD1-CG 4.34Å; F313-P507 HydrophobicContact CE1-CG 4.05Å; F313-P507 HydrophobicContact CZ-CB 4.26Å; F313-P507 HydrophobicContact CZ-CG 4.21Å; F313-W510 HydrophobicContact CE2-CG 4.31Å; F313-W510 HydrophobicContact CZ-CB 3.77Å; F313-W510 AromaticContact CZ-CG 3.97Å; F313-W510 HydrophobicContact CZ-CG 3.97Å
314N88.8Confident83Confident74 Ų7471.7 Ų71.740%0.39638%0.375SS..Hα-helixtrans-67.1-44.7175.8-67.7-42.5000111.2D312 F316 K317 F318D312-N314 PolarHBondContact O-N 3Å; D312-N314 WeakPolarHBondContact OD1-CB 3.11Å; D312-N314 PolarHBondContact OD1-N 3.23Å; N314-F316 VanDerWaalsContact C-N 3.32Å; N314-F316 PolarHBondContact O-N 2.85Å; N314-K317 PolarHBondContact O-N 3.12Å; N314-K317 VanDerWaalsContact OD1-CE 3.31Å; N314-K317 WeakPolarHBondContact OD1-CE 3.37Å; N314-K317 PolarHBondContact OD1-NZ 3.23Å; N314-K317 VanDerWaalsContact OD1-NZ 3.1Å; N314-F318 HydrophobicContact CB-CE2 4.44Å; N314-F318 WeakPolarHBondContact O-CD2 3.25Å; N314-F318 PolarHBondContact O-N 3.49Å
315Q89.6Confident83.2Confident98 Ų9871.7 Ų71.746%0.45837%0.374SS..Hα-helixtrans-58.5-45.2175.3-176.760.624.600111.4D312 K317 F318 E319D312-Q315 HydrophobicContact CB-CB 3.95Å; D312-Q315 WeakPolarHBondContact O-CB 3.43Å; D312-Q315 PolarHBondContact O-N 3.46Å; D312-Q315 VanDerWaalsContact O-N 3.12Å; Q315-K317 PolarHBondContact O-N 3.48Å; Q315-F318 PolarHBondContact O-N 3.15Å; Q315-E319 PolarHBondContact NE2-OE1 2.88Å; Q315-E319 WeakPolarHBondContact O-CG 3.31Å; Q315-E319 PolarHBondContact O-N 3.32Å
316F91.4Very high83.6Confident42 Ų4270 Ų7018%0.18438%0.375CS..Hα-helixtrans-56.5-47.2174.5166.4-99.4000112.4F303 Y306 D312 F313 N314 F318 E319 A320 W510F303-F316 HydrophobicContact CB-CZ 4.33Å; F303-F316 HydrophobicContact CD1-CE2 4.26Å; F303-F316 HydrophobicContact CD1-CZ 4.31Å; Y306-F316 HydrophobicContact CD2-CB 3.91Å; Y306-F316 AromaticContact CD2-CD1 3.58Å; Y306-F316 HydrophobicContact CD2-CD1 3.58Å; Y306-F316 HydrophobicContact CD2-CD2 4.07Å; Y306-F316 HydrophobicContact CD2-CE1 4.07Å; Y306-F316 AromaticContact CD2-CG 3.57Å; Y306-F316 HydrophobicContact CD2-CG 3.57Å; Y306-F316 HydrophobicContact CE2-CB 3.68Å; Y306-F316 HydrophobicContact CE2-CD1 4.24Å; Y306-F316 HydrophobicContact CE2-CD2 4.46Å; Y306-F316 AromaticContact CE2-CG 3.88Å; Y306-F316 HydrophobicContact CE2-CG 3.88Å; Y306-F316 HydrophobicContact CG-CD1 4.4Å; D312-F316 PolarHBondContact O-N 2.97Å; F313-F316 HydrophobicContact CD2-CD1 4Å; F313-F316 HydrophobicContact CE2-CD1 4.01Å; F313-F316 HydrophobicContact CE2-CE1 4.33Å; F313-F316 PolarHBondContact O-N 3.14Å; N314-F316 VanDerWaalsContact C-N 3.32Å; N314-F316 PolarHBondContact O-N 2.85Å; F316-F318 PolarHBondContact O-N 3.08Å; F316-E319 PolarHBondContact O-N 3.26Å; F316-A320 VanDerWaalsContact O-CB 3.29Å; F316-A320 WeakPolarHBondContact O-CB 3.48Å; F316-A320 PolarHBondContact O-N 3.32Å; F316-W510 AromaticContact CE1-CE2 3.93Å; F316-W510 HydrophobicContact CE1-CZ2 4.15Å; F316-W510 AromaticContact CE1-NE1 3.52Å
317K92.4Very high84Confident3 Ų368.1 Ų68.11%0.01337%0.368CS..Hα-helixtrans-59.4-44.8177.5-73.7-175-69.9174.10111.9F313 N314 Q315 A320 I321 A502 S505 W510F313-K317 HydrophobicContact CD1-CD 4.26Å; F313-K317 HydrophobicContact CD2-CG 4.48Å; F313-K317 HydrophobicContact CE1-CD 3.65Å; F313-K317 HydrophobicContact CE1-CG 4.22Å; F313-K317 HydrophobicContact CE2-CD 4.36Å; F313-K317 HydrophobicContact CE2-CG 4.05Å; F313-K317 HydrophobicContact CZ-CD 3.7Å; F313-K317 HydrophobicContact CZ-CG 3.89Å; F313-K317 WeakPolarHBondContact O-CG 3.37Å; F313-K317 PolarHBondContact O-N 3.2Å; N314-K317 PolarHBondContact O-N 3.12Å; N314-K317 VanDerWaalsContact OD1-CE 3.31Å; N314-K317 WeakPolarHBondContact OD1-CE 3.37Å; N314-K317 PolarHBondContact OD1-NZ 3.23Å; N314-K317 VanDerWaalsContact OD1-NZ 3.1Å; Q315-K317 PolarHBondContact O-N 3.48Å; K317-A320 PolarHBondContact O-N 3.15Å; K317-I321 WeakPolarHBondContact O-CB 3.27Å; K317-I321 VanDerWaalsContact O-CG1 3.26Å; K317-I321 WeakPolarHBondContact O-CG1 3.42Å; K317-I321 PolarHBondContact O-N 2.85Å; K317-A502 VanDerWaalsContact CE-O 3.3Å; K317-A502 WeakPolarHBondContact CE-O 3.48Å; K317-A502 PolarHBondContact NZ-O 3.36Å; K317-S505 PolarHBondContact NZ-O 3.01Å; K317-W510 HydrophobicContact CB-CE3 4.32Å; K317-W510 HydrophobicContact CB-CH2 4.32Å; K317-W510 HydrophobicContact CB-CZ3 4.03Å; K317-W510 HydrophobicContact CD-CD2 4.31Å; K317-W510 HydrophobicContact CD-CE3 3.84Å; K317-W510 HydrophobicContact CD-CZ3 4.34Å; K317-W510 HydrophobicContact CG-CD2 3.91Å; K317-W510 HydrophobicContact CG-CE3 3.64Å; K317-W510 HydrophobicContact CG-CH2 4.31Å; K317-W510 HydrophobicContact CG-CZ3 3.86Å
318F90Very high84.7Confident106 Ų10663 Ų6347%0.46534%0.344SS..Hα-helixtrans-62.4-48178.9-76-64.4000111.8N314 Q315 F316 A320 I321 E322 A502N314-F318 HydrophobicContact CB-CE2 4.44Å; N314-F318 WeakPolarHBondContact O-CD2 3.25Å; N314-F318 PolarHBondContact O-N 3.49Å; Q315-F318 PolarHBondContact O-N 3.15Å; F316-F318 PolarHBondContact O-N 3.08Å; F318-A320 VanDerWaalsContact C-N 3.34Å; F318-A320 PolarHBondContact O-N 2.92Å; F318-I321 PolarHBondContact O-N 3.33Å; F318-E322 PolarHBondContact O-N 2.81Å; F318-A502 HydrophobicContact CD1-CB 4.4Å; F318-A502 HydrophobicContact CE1-CB 4.13Å
319E90.9Very high85.5Confident94 Ų9459.3 Ų59.344%0.43932%0.324SS..Hα-helixtrans-63.1-39.8178.1-71.3178.7-164.400112.7Q315 F316 K323Q315-E319 PolarHBondContact NE2-OE1 2.88Å; Q315-E319 WeakPolarHBondContact O-CG 3.31Å; Q315-E319 PolarHBondContact O-N 3.32Å; F316-E319 PolarHBondContact O-N 3.26Å; E319-K323 WeakPolarHBondContact O-CG 3.1Å; E319-K323 PolarHBondContact O-N 3.42Å
320A91.5Very high86.2Confident1 Ų156 Ų561%0.00830%0.297CS..Hα-helixtrans-61.8-46.5175.600000111.2F303 F316 K317 F318 K323 I324 W510F303-A320 HydrophobicContact CB-CB 4.4Å; F303-A320 HydrophobicContact CD1-CB 3.36Å; F303-A320 HydrophobicContact CE1-CB 3.71Å; F303-A320 HydrophobicContact CG-CB 3.93Å; F316-A320 VanDerWaalsContact O-CB 3.29Å; F316-A320 WeakPolarHBondContact O-CB 3.48Å; F316-A320 PolarHBondContact O-N 3.32Å; K317-A320 PolarHBondContact O-N 3.15Å; F318-A320 VanDerWaalsContact C-N 3.34Å; F318-A320 PolarHBondContact O-N 2.92Å; A320-K323 PolarHBondContact O-N 3.14Å; A320-I324 WeakPolarHBondContact O-CB 3.47Å; A320-I324 WeakPolarHBondContact O-CD1 3.39Å; A320-I324 WeakPolarHBondContact O-CG1 3.48Å; A320-I324 PolarHBondContact O-N 3.35Å; A320-W510 HydrophobicContact CB-CH2 3.75Å; A320-W510 HydrophobicContact CB-CZ2 3.64Å
321I90.8Very high86.8Confident4 Ų452.3 Ų52.32%0.02127%0.27CS..Hα-helixtrans-62.7-45.5179.9-72.6168000111.6K317 F318 K323 I324 L325 L498 A502 W510K317-I321 WeakPolarHBondContact O-CB 3.27Å; K317-I321 VanDerWaalsContact O-CG1 3.26Å; K317-I321 WeakPolarHBondContact O-CG1 3.42Å; K317-I321 PolarHBondContact O-N 2.85Å; F318-I321 PolarHBondContact O-N 3.33Å; I321-K323 VanDerWaalsContact C-N 3.27Å; I321-K323 PolarHBondContact O-N 3.42Å; I321-I324 PolarHBondContact O-N 3.39Å; I321-I324 VanDerWaalsContact O-N 3.14Å; I321-L325 HydrophobicContact CG2-CD1 3.68Å; I321-L325 HydrophobicContact CG2-CG 3.94Å; I321-L325 WeakPolarHBondContact O-CB 3.19Å; I321-L325 WeakPolarHBondContact O-CG 2.9Å; I321-L325 PolarHBondContact O-N 2.82Å; I321-L498 HydrophobicContact CD1-CB 4.33Å; I321-L498 WeakPolarHBondContact CD1-O 3.49Å; I321-L498 HydrophobicContact CG1-CB 4.21Å; I321-L498 HydrophobicContact CG1-CD2 4.4Å; I321-L498 HydrophobicContact CG2-CB 4.37Å; I321-A502 HydrophobicContact CD1-CB 3.18Å; I321-W510 HydrophobicContact CD1-CH2 4.46Å; I321-W510 HydrophobicContact CD1-CZ3 4.1Å; I321-W510 HydrophobicContact CG1-CH2 4.02Å; I321-W510 HydrophobicContact CG1-CZ3 4.11Å
322E90.7Very high86.7Confident136 Ų13650.2 Ų50.264%0.63625%0.246SC*.Hα-helixtrans-56.4-43.6177.1-74.3-62.1131.300111.4F318 S326F318-E322 PolarHBondContact O-N 2.81Å; E322-S326 WeakPolarHBondContact O-CB 3.42Å; E322-S326 PolarHBondContact O-N 3.16Å
323K91Very high85.9Confident113 Ų11351.8 Ų51.849%0.49125%0.249SC..Hα-helixtrans-66.2-42.8176.5-66.7173.7-179.2171.70112F299 F303 E319 A320 I321 L327F299-K323 HydrophobicContact CZ-CB 3.85Å; F303-K323 HydrophobicContact CE1-CD 4.2Å; F303-K323 HydrophobicContact CZ-CB 4.15Å; F303-K323 HydrophobicContact CZ-CD 3.91Å; E319-K323 WeakPolarHBondContact O-CG 3.1Å; E319-K323 PolarHBondContact O-N 3.42Å; A320-K323 PolarHBondContact O-N 3.14Å; I321-K323 VanDerWaalsContact C-N 3.27Å; I321-K323 PolarHBondContact O-N 3.42Å; K323-L327 PolarHBondContact O-N 2.81Å; K323-L327 VanDerWaalsContact O-N 3.11Å
324I90.9Very high84.8Confident0 Ų050.9 Ų50.90%025%0.246CC..Hα-helixtrans-63.3-49.2178.6-67.8164.1000111.1F296 F299 L300 F303 A320 I321 L327 L328 L498 I514F296-I324 HydrophobicContact CE2-CG2 4.25Å; F296-I324 HydrophobicContact CZ-CG2 3.95Å; F299-I324 HydrophobicContact CE1-CB 4.41Å; F299-I324 HydrophobicContact CE1-CG1 3.81Å; L300-I324 HydrophobicContact CD2-CD1 3.88Å; L300-I324 HydrophobicContact CD2-CG1 3.92Å; L300-I324 HydrophobicContact CD2-CG2 4.21Å; F303-I324 HydrophobicContact CD2-CD1 4.25Å; F303-I324 HydrophobicContact CD2-CG1 4.29Å; F303-I324 HydrophobicContact CE2-CG1 4.21Å; A320-I324 WeakPolarHBondContact O-CB 3.47Å; A320-I324 WeakPolarHBondContact O-CD1 3.39Å; A320-I324 WeakPolarHBondContact O-CG1 3.48Å; A320-I324 PolarHBondContact O-N 3.35Å; I321-I324 PolarHBondContact O-N 3.39Å; I321-I324 VanDerWaalsContact O-N 3.14Å; I324-L327 PolarHBondContact O-N 2.74Å; I324-L328 HydrophobicContact CG2-CD1 3.92Å; I324-L328 HydrophobicContact CG2-CG 4.39Å; I324-L328 WeakPolarHBondContact O-CB 3.42Å; I324-L328 WeakPolarHBondContact O-CG 3.38Å; I324-L328 PolarHBondContact O-N 3.21Å; I324-L498 HydrophobicContact CB-CD1 4.43Å; I324-L498 HydrophobicContact CG2-CD1 3.67Å; I324-I514 HydrophobicContact CD1-CD1 3.81Å
325L88.4Confident83.5Confident19 Ų1949.8 Ų49.810%0.09924%0.237CC..Hα-helixtrans-67-38.1-179.6-65.9-175000111.9I321 L327 L328 N329 H495 L498I321-L325 HydrophobicContact CG2-CD1 3.68Å; I321-L325 HydrophobicContact CG2-CG 3.94Å; I321-L325 WeakPolarHBondContact O-CB 3.19Å; I321-L325 WeakPolarHBondContact O-CG 2.9Å; I321-L325 PolarHBondContact O-N 2.82Å; L325-L327 VanDerWaalsContact C-N 3.34Å; L325-L327 PolarHBondContact O-N 2.62Å; L325-L328 HydrophobicContact CD2-CD1 4.36Å; L325-L328 PolarHBondContact O-N 3.49Å; L325-N329 WeakPolarHBondContact O-CB 3.29Å; L325-N329 VanDerWaalsContact O-CG 3.29Å; L325-N329 PolarHBondContact O-N 3.35Å; L325-N329 PolarHBondContact O-ND2 2.95Å; L325-N329 VanDerWaalsContact O-ND2 3.11Å; L325-H495 VanDerWaalsContact CD2-CD2 3.44Å; L325-H495 WeakPolarHBondContact CD2-CD2 3.46Å; L325-L498 HydrophobicContact CD2-CD1 3.63Å; L325-L498 HydrophobicContact CG-CD1 4.32Å
326S87.6Confident82.2Confident77 Ų7749.8 Ų49.854%0.53824%0.241SC..Hα-helixtrans-57.1-48173179.10000111.3E322 R330E322-S326 WeakPolarHBondContact O-CB 3.42Å; E322-S326 PolarHBondContact O-N 3.16Å; S326-R330 WeakPolarHBondContact O-CB 3.48Å; S326-R330 PolarHBondContact O-N 3.41Å; S326-R330 VanDerWaalsContact O-N 3.11Å
327L84Confident80.6Confident8 Ų852 Ų524%0.04226%0.255CS..Hα-helixtrans-65.7-44.8178.3-174.956.6000112F296 F299 K323 I324 L325 N329 R330 L331 L350F296-L327 HydrophobicContact CD2-CD2 3.63Å; F296-L327 HydrophobicContact CD2-CG 4.06Å; F296-L327 HydrophobicContact CE2-CD2 4.15Å; F296-L327 HydrophobicContact CE2-CG 4.39Å; F299-L327 HydrophobicContact CB-CD2 4.26Å; F299-L327 HydrophobicContact CD1-CD2 3.52Å; F299-L327 HydrophobicContact CD2-CD2 4.15Å; F299-L327 HydrophobicContact CE1-CB 4.4Å; F299-L327 HydrophobicContact CE1-CD2 3.77Å; F299-L327 HydrophobicContact CE2-CD2 4.36Å; F299-L327 HydrophobicContact CG-CD2 3.71Å; F299-L327 HydrophobicContact CZ-CD2 4.16Å; K323-L327 PolarHBondContact O-N 2.81Å; K323-L327 VanDerWaalsContact O-N 3.11Å; I324-L327 PolarHBondContact O-N 2.74Å; L325-L327 VanDerWaalsContact C-N 3.34Å; L325-L327 PolarHBondContact O-N 2.62Å; L327-N329 PolarHBondContact O-N 2.87Å; L327-R330 WeakPolarHBondContact O-CB 3.49Å; L327-R330 PolarHBondContact O-N 3.31Å; L327-L331 WeakPolarHBondContact O-CG 3.44Å; L327-L331 PolarHBondContact O-N 3.35Å; L327-L350 HydrophobicContact CD1-CD1 4.49Å; L327-L350 HydrophobicContact CD1-CD2 4.24Å; L327-L350 HydrophobicContact CD1-CG 4.39Å
328L84Confident78.9Confident3 Ų359.1 Ų59.12%0.01629%0.288CS..Hα-helixtrans-61.5-43177.7-76.2175.9000112.9F296 I324 L325 R330 L331 S332 L491 I494 I522F296-L328 HydrophobicContact CD2-CD2 4.36Å; F296-L328 HydrophobicContact CE1-CD2 3.88Å; F296-L328 HydrophobicContact CE2-CD2 3.67Å; F296-L328 HydrophobicContact CE2-CG 3.75Å; F296-L328 HydrophobicContact CZ-CD1 4Å; F296-L328 HydrophobicContact CZ-CD2 3.39Å; F296-L328 HydrophobicContact CZ-CG 3.61Å; I324-L328 HydrophobicContact CG2-CD1 3.92Å; I324-L328 HydrophobicContact CG2-CG 4.39Å; I324-L328 WeakPolarHBondContact O-CB 3.42Å; I324-L328 WeakPolarHBondContact O-CG 3.38Å; I324-L328 PolarHBondContact O-N 3.21Å; L325-L328 HydrophobicContact CD2-CD1 4.36Å; L325-L328 PolarHBondContact O-N 3.49Å; L328-R330 VanDerWaalsContact C-N 3.26Å; L328-R330 PolarHBondContact O-N 2.84Å; L328-L331 PolarHBondContact O-N 3.47Å; L328-S332 WeakPolarHBondContact O-CB 3.49Å; L328-S332 PolarHBondContact O-N 3.34Å; L328-L491 HydrophobicContact CB-CD2 3.9Å; L328-L491 HydrophobicContact CD1-CD2 4.21Å; L328-L491 HydrophobicContact CD2-CD2 4.02Å; L328-L491 HydrophobicContact CG-CD2 4.28Å; L328-I494 HydrophobicContact CD1-CG2 3.57Å; L328-I522 HydrophobicContact CD2-CD1 4.1Å; L328-I522 HydrophobicContact CD2-CG2 4.16Å
329N81.1Confident77.1Confident64 Ų6462.7 Ų62.734%0.34231%0.306SS..Hα-helixtrans-64.3-35.2176.8-76.7-35.9000111.7L325 L327 S332 K333L325-N329 WeakPolarHBondContact O-CB 3.29Å; L325-N329 VanDerWaalsContact O-CG 3.29Å; L325-N329 PolarHBondContact O-N 3.35Å; L325-N329 PolarHBondContact O-ND2 2.95Å; L325-N329 VanDerWaalsContact O-ND2 3.11Å; L327-N329 PolarHBondContact O-N 2.87Å; N329-S332 WeakPolarHBondContact O-CB 3.31Å; N329-S332 PolarHBondContact O-N 2.83Å; N329-K333 WeakPolarHBondContact O-CG 3.32Å; N329-K333 PolarHBondContact O-N 3.11Å
330R77.5Confident75.2Confident64 Ų6461.7 Ų61.724%0.24230%0.301CS..Hα-helixtrans-70.9-41176.3-150.5173.363.416414111.9S326 L327 L328 S332 K333 T334 D347S326-R330 WeakPolarHBondContact O-CB 3.48Å; S326-R330 PolarHBondContact O-N 3.41Å; S326-R330 VanDerWaalsContact O-N 3.11Å; L327-R330 WeakPolarHBondContact O-CB 3.49Å; L327-R330 PolarHBondContact O-N 3.31Å; L328-R330 VanDerWaalsContact C-N 3.26Å; L328-R330 PolarHBondContact O-N 2.84Å; R330-S332 VanDerWaalsContact C-N 3.28Å; R330-S332 PolarHBondContact O-N 2.85Å; R330-K333 PolarHBondContact O-N 3.12Å; R330-T334 PolarHBondContact O-N 3Å; R330-D347 IonicContact CZ-OD2 3.46Å; R330-D347 IonicContact NE-OD2 3.55Å; R330-D347 IonicContact NH1-OD2 2.7Å; R330-D347 PolarHBondContact NH1-OD2 2.88Å; R330-D347 IonicContact NH2-OD2 3.32Å; R330-D347 PolarHBondContact NH2-OD2 3.26Å
331L73.2Confident73.4Confident15 Ų1565 Ų658%0.07932%0.316CS..Hα-helixtrans-60.4-39.3169.8-69.4-179000111.3P292 F296 L327 L328 K333 T334 F335 V344 L350P292-L331 HydrophobicContact CB-CD1 4.2Å; P292-L331 HydrophobicContact CB-CD2 3.68Å; F296-L331 HydrophobicContact CB-CD1 4.47Å; F296-L331 HydrophobicContact CD2-CD1 4.29Å; F296-L331 HydrophobicContact CG-CD1 4.49Å; L327-L331 WeakPolarHBondContact O-CG 3.44Å; L327-L331 PolarHBondContact O-N 3.35Å; L328-L331 PolarHBondContact O-N 3.47Å; L331-K333 PolarHBondContact O-N 2.87Å; L331-T334 PolarHBondContact O-N 2.87Å; L331-T334 PolarHBondContact O-OG1 2.81Å; L331-F335 WeakPolarHBondContact O-CD2 3.12Å; L331-F335 VanDerWaalsContact O-CE2 3.31Å; L331-F335 WeakPolarHBondContact O-CE2 3.41Å; L331-V344 HydrophobicContact CD2-CG1 4.32Å; L331-L350 HydrophobicContact CD2-CD1 4.39Å
332S71.5Confident71.5Confident12 Ų1269.6 Ų69.68%0.08434%0.343CS..Hα-helixtrans-59.6-44.6178-165.90000113L328 N329 R330 T334 F335 L491L328-S332 WeakPolarHBondContact O-CB 3.49Å; L328-S332 PolarHBondContact O-N 3.34Å; N329-S332 WeakPolarHBondContact O-CB 3.31Å; N329-S332 PolarHBondContact O-N 2.83Å; R330-S332 VanDerWaalsContact C-N 3.28Å; R330-S332 PolarHBondContact O-N 2.85Å; S332-T334 VanDerWaalsContact C-N 3.25Å; S332-T334 PolarHBondContact O-N 2.54Å; S332-F335 WeakPolarHBondContact O-CB 3.44Å; S332-F335 WeakPolarHBondContact O-CD2 3.16Å; S332-F335 PolarHBondContact O-N 3.37Å; S332-L491 WeakPolarHBondContact OG-CD1 3.16Å
333K69.3Low69.5Low125 Ų12566.9 Ų66.954%0.54334%0.339SS..Hα-helixtrans-61-33.6179.2-69.1178.1178.9-174.30112.9N329 R330 L331 F335 N336 E340N329-K333 WeakPolarHBondContact O-CG 3.32Å; N329-K333 PolarHBondContact O-N 3.11Å; R330-K333 PolarHBondContact O-N 3.12Å; L331-K333 PolarHBondContact O-N 2.87Å; K333-F335 PolarHBondContact O-N 3.29Å; K333-F335 VanDerWaalsContact O-N 3.11Å; K333-N336 PolarHBondContact O-N 3.02Å; K333-E340 WeakPolarHBondContact CB-OE2 3.42Å
334T65.4Low67.6Low11 Ų1162.3 Ų62.37%0.06732%0.321CS..THydrogen-bonded Turntrans-63.2-18.2175.4690000114.3R330 L331 S332 K341 V344R330-T334 PolarHBondContact O-N 3Å; L331-T334 PolarHBondContact O-N 2.87Å; L331-T334 PolarHBondContact O-OG1 2.81Å; S332-T334 VanDerWaalsContact C-N 3.25Å; S332-T334 PolarHBondContact O-N 2.54Å; T334-K341 WeakPolarHBondContact O-CG 3.36Å; T334-V344 HydrophobicContact CG2-CB 3.36Å; T334-V344 HydrophobicContact CG2-CG1 3.67Å; T334-V344 HydrophobicContact CG2-CG2 3.3Å
335F62.6Low65.6Low50 Ų5066.4 Ų66.422%0.21934%0.342CS..THydrogen-bonded Turntrans-78.1-23.1174.4-57.8-57.8000112.9L289 L331 S332 K333 P524 I532L289-F335 HydrophobicContact CD2-CD1 3.98Å; L289-F335 HydrophobicContact CD2-CD2 4.43Å; L289-F335 HydrophobicContact CD2-CE1 3.27Å; L289-F335 HydrophobicContact CD2-CE2 3.81Å; L289-F335 HydrophobicContact CD2-CZ 3.2Å; L289-F335 HydrophobicContact CG-CE1 4.05Å; L289-F335 HydrophobicContact CG-CZ 4.34Å; L331-F335 WeakPolarHBondContact O-CD2 3.12Å; L331-F335 VanDerWaalsContact O-CE2 3.31Å; L331-F335 WeakPolarHBondContact O-CE2 3.41Å; S332-F335 WeakPolarHBondContact O-CB 3.44Å; S332-F335 WeakPolarHBondContact O-CD2 3.16Å; S332-F335 PolarHBondContact O-N 3.37Å; K333-F335 PolarHBondContact O-N 3.29Å; K333-F335 VanDerWaalsContact O-N 3.11Å; F335-P524 HydrophobicContact CD2-CB 4.37Å; F335-P524 HydrophobicContact CD2-CG 4.16Å; F335-I532 HydrophobicContact CB-CD1 3.46Å; F335-I532 VanDerWaalsContact CB-CD1 3.46Å; F335-I532 HydrophobicContact CG-CD1 4.42Å
336N62.2Low63.6Low99 Ų9969.6 Ų69.653%0.52936%0.363SS..THydrogen-bonded Turntrans-85.2-35-178.2-69.8-16.7000112.6K333 I532K333-N336 PolarHBondContact O-N 3.02Å; N336-I532 WeakPolarHBondContact OD1-CG2 3.42Å
337D58.6Low61.9Low89 Ų8968 Ų6848%0.47635%0.348SS..  trans-120.6117.3-173.2-68.9-41.4000111.9E339 E340 K341D337-E339 PolarHBondContact O-N 2.85Å; D337-E340 HydrophobicContact CB-CB 3.99Å; D337-E340 HydrophobicContact CB-CG 4.01Å; D337-E340 PolarHBondContact O-N 3.46Å; D337-E340 VanDerWaalsContact O-N 3.15Å; D337-K341 PolarHBondContact O-N 3.03Å
338E55.8Low60.3Low152 Ų15276.5 Ų76.571%0.7139%0.385SS*.Hα-helixtrans-57-35.9174.6-71.6-106.8119.500112.2K341E338-K341 WeakPolarHBondContact O-CB 3.33Å; E338-K341 PolarHBondContact O-N 3.43Å; E338-K341 IonicContact OE1-NZ 2.79Å; E338-K341 PolarHBondContact OE1-NZ 3.12Å
339E51.9Low58.6Low180 Ų18081.4 Ų81.484%0.84141%0.41SS*.Hα-helixtrans-70.3-33.4177.9-69.6-172.7168.100112.7D337 K341D337-E339 PolarHBondContact O-N 2.85Å; E339-K341 VanDerWaalsContact C-N 3.34Å; E339-K341 PolarHBondContact O-N 2.81Å
340E52.2Low57.1Low74 Ų7478.7 Ų78.735%0.34640%0.396SS..Hα-helixtrans-73.2-24177.5-78.3-160.7158.300113K333 D337 V342 S343 V344K333-E340 WeakPolarHBondContact CB-OE2 3.42Å; D337-E340 HydrophobicContact CB-CB 3.99Å; D337-E340 HydrophobicContact CB-CG 4.01Å; D337-E340 PolarHBondContact O-N 3.46Å; D337-E340 VanDerWaalsContact O-N 3.15Å; E340-V342 PolarHBondContact O-N 3.02Å; E340-S343 PolarHBondContact O-N 3.34Å; E340-S343 VanDerWaalsContact O-N 3.16Å; E340-V344 PolarHBondContact O-N 3.29Å
341K52.8Low55.3Low70 Ų7080.1 Ų80.130%0.30441%0.408SS..Hα-helixtrans-53.4-44.2177.8-68.8177.7-174.2170.40111.5T334 D337 E338 E339 L345T334-K341 WeakPolarHBondContact O-CG 3.36Å; D337-K341 PolarHBondContact O-N 3.03Å; E338-K341 WeakPolarHBondContact O-CB 3.33Å; E338-K341 PolarHBondContact O-N 3.43Å; E338-K341 IonicContact OE1-NZ 2.79Å; E338-K341 PolarHBondContact OE1-NZ 3.12Å; E339-K341 VanDerWaalsContact C-N 3.34Å; E339-K341 PolarHBondContact O-N 2.81Å; K341-L345 WeakPolarHBondContact O-CB 3.45Å; K341-L345 VanDerWaalsContact O-CD1 3.3Å; K341-L345 WeakPolarHBondContact O-CD1 3.47Å; K341-L345 VanDerWaalsContact O-CG 3.31Å; K341-L345 WeakPolarHBondContact O-CG 3.29Å; K341-L345 PolarHBondContact O-N 3.25Å
342V49.9Very low53.8Low100 Ų10082.4 Ų82.461%0.60642%0.424SS*.Hα-helixtrans-70.3-39.7-178.7-177.30000111.5E340 T346E340-V342 PolarHBondContact O-N 3.02Å; V342-T346 WeakPolarHBondContact O-CG2 3.29Å; V342-T346 PolarHBondContact O-N 3.34Å; V342-T346 PolarHBondContact O-OG1 3.05Å
343S50.7Low52.4Low79 Ų7990.3 Ų90.355%0.55246%0.46SS*.Hα-helixtrans-67.8-39.8-178.5-173.80000112.7E340 T346 D347E340-S343 PolarHBondContact O-N 3.34Å; E340-S343 VanDerWaalsContact O-N 3.16Å; S343-T346 WeakPolarHBondContact CA-OG1 3.41Å; S343-T346 PolarHBondContact O-N 3.02Å; S343-T346 PolarHBondContact O-OG1 2.85Å; S343-D347 PolarHBondContact O-N 3.34Å
344V50.1Low51.3Low18 Ų1890.6 Ų90.611%0.10947%0.466CS..Hα-helixtrans-77.5-35179.3175.40000112.1L331 T334 E340 T346 D347 L350L331-V344 HydrophobicContact CD2-CG1 4.32Å; T334-V344 HydrophobicContact CG2-CB 3.36Å; T334-V344 HydrophobicContact CG2-CG1 3.67Å; T334-V344 HydrophobicContact CG2-CG2 3.3Å; E340-V344 PolarHBondContact O-N 3.29Å; V344-T346 PolarHBondContact O-N 3.48Å; V344-D347 WeakPolarHBondContact O-CB 3.15Å; V344-D347 PolarHBondContact O-N 3.37Å; V344-D347 VanDerWaalsContact O-N 3.17Å; V344-L350 HydrophobicContact CG1-CD1 3.48Å; V344-L350 VanDerWaalsContact CG1-CD1 3.48Å; V344-L350 VanDerWaalsContact O-CD1 3.22Å; V344-L350 WeakPolarHBondContact O-CD1 3.2Å
345L48.7Very low50.3Low85 Ų8595.8 Ų95.845%0.44549%0.494SS..Hα-helixtrans-61.5-26.6173.7-80.1163.5000112.8K295 K341K295-L345 PolarHBondContact NZ-O 2.63Å; K341-L345 WeakPolarHBondContact O-CB 3.45Å; K341-L345 VanDerWaalsContact O-CD1 3.3Å; K341-L345 WeakPolarHBondContact O-CD1 3.47Å; K341-L345 VanDerWaalsContact O-CG 3.31Å; K341-L345 WeakPolarHBondContact O-CG 3.29Å; K341-L345 PolarHBondContact O-N 3.25Å
346T47.2Very low49.5Very low87 Ų87100.5 Ų100.553%0.53452%0.521SS..THydrogen-bonded Turntrans-91.90.7178.747.90000114.4V342 S343 V344 K348 L351V342-T346 WeakPolarHBondContact O-CG2 3.29Å; V342-T346 PolarHBondContact O-N 3.34Å; V342-T346 PolarHBondContact O-OG1 3.05Å; S343-T346 WeakPolarHBondContact CA-OG1 3.41Å; S343-T346 PolarHBondContact O-N 3.02Å; S343-T346 PolarHBondContact O-OG1 2.85Å; V344-T346 PolarHBondContact O-N 3.48Å; T346-K348 PolarHBondContact O-N 2.71Å; T346-L351 WeakPolarHBondContact O-CD1 3.2Å
347D50.6Low48.8Very low43 Ų4399.8 Ų99.823%0.2352%0.524CS..  trans-69.6129.8177.5-169.5-28.2000111.6R330 S343 V344 I349 L350 L351R330-D347 IonicContact CZ-OD2 3.46Å; R330-D347 IonicContact NE-OD2 3.55Å; R330-D347 IonicContact NH1-OD2 2.7Å; R330-D347 PolarHBondContact NH1-OD2 2.88Å; R330-D347 IonicContact NH2-OD2 3.32Å; R330-D347 PolarHBondContact NH2-OD2 3.26Å; S343-D347 PolarHBondContact O-N 3.34Å; V344-D347 WeakPolarHBondContact O-CB 3.15Å; V344-D347 PolarHBondContact O-N 3.37Å; V344-D347 VanDerWaalsContact O-N 3.17Å; D347-I349 PolarHBondContact O-N 3.47Å; D347-I349 VanDerWaalsContact O-N 3.15Å; D347-I349 PolarHBondContact OD1-N 3.18Å; D347-L350 CarbonylContact O-C 3.6Å; D347-L350 WeakPolarHBondContact O-CA 3.47Å; D347-L350 WeakPolarHBondContact O-CB 3.08Å; D347-L350 PolarHBondContact O-N 2.89Å; D347-L351 WeakPolarHBondContact O-CG 3.45Å; D347-L351 PolarHBondContact O-N 3.12Å
348K50.4Low48.4Very low186 Ų18699.6 Ų99.681%0.80952%0.523SS*.THydrogen-bonded Turntrans-53.4-31.4175.9-73.5-173.6177.9-178.40114.1T346 L350 L351T346-K348 PolarHBondContact O-N 2.71Å; K348-L350 PolarHBondContact O-N 3.41Å; K348-L351 PolarHBondContact O-N 3.44Å
349I49.5Very low48.1Very low106 Ų10698.8 Ų98.854%0.54452%0.523SS..THydrogen-bonded Turntrans-62.5-32.1175.1-65.1174.9000110.8D347D347-I349 PolarHBondContact O-N 3.47Å; D347-I349 VanDerWaalsContact O-N 3.15Å; D347-I349 PolarHBondContact OD1-N 3.18Å
350L48.5Very low48.3Very low8 Ų894 Ų944%0.04251%0.508CS..THydrogen-bonded Turntrans-94.4-22.8178.9-78168000111.9K295 L327 L331 V344 D347 K348 C352K295-L350 HydrophobicContact CB-CD2 3.57Å; K295-L350 HydrophobicContact CD-CB 3.92Å; K295-L350 HydrophobicContact CD-CD2 4.04Å; K295-L350 WeakPolarHBondContact CD-O 3.44Å; K295-L350 WeakPolarHBondContact CE-O 3.28Å; K295-L350 HydrophobicContact CG-CD2 4.45Å; K295-L350 WeakPolarHBondContact CG-O 3.49Å; K295-L350 PolarHBondContact NZ-O 3.38Å; L327-L350 HydrophobicContact CD1-CD1 4.49Å; L327-L350 HydrophobicContact CD1-CD2 4.24Å; L327-L350 HydrophobicContact CD1-CG 4.39Å; L331-L350 HydrophobicContact CD2-CD1 4.39Å; V344-L350 HydrophobicContact CG1-CD1 3.48Å; V344-L350 VanDerWaalsContact CG1-CD1 3.48Å; V344-L350 VanDerWaalsContact O-CD1 3.22Å; V344-L350 WeakPolarHBondContact O-CD1 3.2Å; D347-L350 CarbonylContact O-C 3.6Å; D347-L350 WeakPolarHBondContact O-CA 3.47Å; D347-L350 WeakPolarHBondContact O-CB 3.08Å; D347-L350 PolarHBondContact O-N 2.89Å; K348-L350 PolarHBondContact O-N 3.41Å; L350-C352 PolarHBondContact O-N 3.27Å
351L39.5Very low49Very low94 Ų9492.6 Ų92.649%0.49250%0.501SS..  trans-79.146.6179.9-66.3169.7000114.2T346 D347 K348 E353T346-L351 WeakPolarHBondContact O-CD1 3.2Å; D347-L351 WeakPolarHBondContact O-CG 3.45Å; D347-L351 PolarHBondContact O-N 3.12Å; K348-L351 PolarHBondContact O-N 3.44Å; L351-E353 PolarHBondContact O-N 3.28Å
352C42.2Very low50.1Low63 Ų6393.9 Ų93.943%0.42651%0.506SS..  trans-69.4122.6153.7-87.80000107.3K298 L350 L354K298-C352 HydrophobicContact CD-CB 3.91Å; K298-C352 PolarHBondContact NZ-SG 3.38Å; L350-C352 PolarHBondContact O-N 3.27Å; C352-L354 PolarHBondContact O-N 2.82Å
353E42.7Very low51.8Low178 Ų17889.9 Ų89.983%0.83248%0.481SS*.  trans-47.4132.5169.1-67.2177.7165.100108.7L351 D355L351-E353 PolarHBondContact O-N 3.28Å; E353-D355 PolarHBondContact O-N 3.4Å
354L44.9Very low53.4Low130 Ų13088 Ų8868%0.68147%0.467SS*.  trans-6787.3176.1-70164.2000106.8C352 D356C352-L354 PolarHBondContact O-N 2.82Å; L354-D356 PolarHBondContact O-N 3.07Å
355D45.1Very low55.3Low121 Ų12188.4 Ų88.465%0.64747%0.468SS*.  trans-75.5109.5167.3-148.3-10.9000106.2E353 S357E353-D355 PolarHBondContact O-N 3.4Å; D355-S357 PolarHBondContact O-N 3.5Å
356D46.6Very low57.5Low148 Ų14884.5 Ų84.579%0.79145%0.448SS*.SBendtrans-61.4-6.7-179.3-81.8-27.4000112.5L354 L358L354-D356 PolarHBondContact O-N 3.07Å; D356-L358 PolarHBondContact O-N 2.91Å
357S47.2Very low59.8Low85 Ų8580.4 Ų80.459%0.59442%0.423SS*.  trans-72.258.816374.70000111.1D355 N359D355-S357 PolarHBondContact O-N 3.5Å; S357-N359 PolarHBondContact O-N 2.84Å; S357-N359 VanDerWaalsContact O-N 3.11Å
358L50.2Low61.7Low84 Ų8478.5 Ų78.544%0.4441%0.412SS..PPolyproline II helixtrans-50.9118.2159.3-84.4146.9000106.9D356 P360D356-L358 PolarHBondContact O-N 2.91Å; L358-P360 WeakPolarHBondContact O-CD 3.33Å
359N49Very low63.7Low135 Ų13569.6 Ų69.672%0.72237%0.374SS*.PPolyproline II helixtrans-46.3120.7172.2-90.3-22.1000107.9S357 F361S357-N359 PolarHBondContact O-N 2.84Å; S357-N359 VanDerWaalsContact O-N 3.11Å; N359-F361 PolarHBondContact O-N 2.9Å; N359-F361 VanDerWaalsContact O-N 3.11Å
360P56.9Low65.8Low80 Ų8064.6 Ų64.652%0.51935%0.348SS..PPolyproline II helixtrans-54.3126.2-178.718.4-29.1000108L358 K362 I423L358-P360 WeakPolarHBondContact O-CD 3.33Å; P360-K362 PolarHBondContact O-N 2.96Å; P360-I423 HydrophobicContact CB-CD1 3.92Å; P360-I423 HydrophobicContact CG-CD1 4.35Å
361F66.2Low67.8Low45 Ų4564.4 Ų64.420%0.19735%0.347CS..  trans-63.6108.1176.9175-107.8000107.9N359 I363 D368 W377 H519N359-F361 PolarHBondContact O-N 2.9Å; N359-F361 VanDerWaalsContact O-N 3.11Å; F361-I363 HydrophobicContact CD1-CG1 4.14Å; F361-I363 HydrophobicContact CE1-CG1 3.8Å; F361-D368 HydrophobicContact CE1-CB 4.09Å; F361-D368 HydrophobicContact CE2-CB 4.43Å; F361-D368 HydrophobicContact CZ-CB 3.53Å; F361-W377 HydrophobicContact CB-CH2 4.14Å; F361-W377 HydrophobicContact CB-CZ2 3.63Å; F361-W377 AromaticContact CD1-CH2 3.28Å; F361-W377 HydrophobicContact CD1-CH2 3.28Å; F361-W377 AromaticContact CD1-CZ2 3.69Å; F361-W377 HydrophobicContact CD1-CZ2 3.69Å; F361-W377 AromaticContact CD1-CZ3 3.87Å; F361-W377 HydrophobicContact CD1-CZ3 3.87Å; F361-W377 AromaticContact CD2-CH2 3.33Å; F361-W377 HydrophobicContact CD2-CH2 3.33Å; F361-W377 AromaticContact CD2-CZ2 3.43Å; F361-W377 HydrophobicContact CD2-CZ2 3.43Å; F361-W377 VanDerWaalsContact CD2-CZ2 3.43Å; F361-W377 AromaticContact CE1-CH2 3.31Å; F361-W377 HydrophobicContact CE1-CH2 3.31Å; F361-W377 HydrophobicContact CE1-CZ2 4.19Å; F361-W377 AromaticContact CE1-CZ3 3.7Å; F361-W377 HydrophobicContact CE1-CZ3 3.7Å; F361-W377 AromaticContact CE2-CH2 3.39Å; F361-W377 HydrophobicContact CE2-CH2 3.39Å; F361-W377 AromaticContact CE2-CZ2 3.98Å; F361-W377 HydrophobicContact CE2-CZ2 3.98Å; F361-W377 HydrophobicContact CE2-CZ3 4.42Å; F361-W377 AromaticContact CG-CH2 3.27Å; F361-W377 HydrophobicContact CG-CH2 3.27Å; F361-W377 AromaticContact CG-CZ2 3.26Å; F361-W377 HydrophobicContact CG-CZ2 3.26Å; F361-W377 HydrophobicContact CG-CZ3 4.28Å; F361-W377 AromaticContact CZ-CH2 3.36Å; F361-W377 HydrophobicContact CZ-CH2 3.36Å; F361-W377 HydrophobicContact CZ-CZ2 4.31Å; F361-W377 AromaticContact CZ-CZ3 3.99Å; F361-W377 HydrophobicContact CZ-CZ3 3.99Å; F361-H519 AromaticContact CD2-CE1 3.88Å; F361-H519 AromaticContact CD2-NE2 3.42Å; F361-H519 WeakPolarHBondContact CD2-NE2 3.29Å; F361-H519 AromaticContact CE2-CE1 3.46Å; F361-H519 VanDerWaalsContact CE2-CE1 3.46Å; F361-H519 WeakPolarHBondContact CE2-CE1 3.41Å; F361-H519 AromaticContact CE2-NE2 3.41Å; F361-H519 WeakPolarHBondContact CE2-NE2 3.39Å
362K76Confident70.1Confident97 Ų9762.5 Ų62.542%0.42234%0.336SS..  trans-89120.3179.9-167.1-179.8178.1-179.40108.8P360 T364P360-K362 PolarHBondContact O-N 2.96Å; K362-T364 HydrophobicContact CB-CG2 4.03Å; K362-T364 HydrophobicContact CD-CG2 3.69Å; K362-T364 HydrophobicContact CG-CG2 3.63Å; K362-T364 PolarHBondContact O-N 2.91Å; K362-T364 VanDerWaalsContact O-N 3.16Å
363I85.1Confident72.2Confident15 Ų1560.6 Ų60.68%0.07732%0.32CS..  trans-75.8103.7172.3-57.6157.5000107.9F361 D368 A369 Q372 A430 V433 S434 I437F361-I363 HydrophobicContact CD1-CG1 4.14Å; F361-I363 HydrophobicContact CE1-CG1 3.8Å; I363-D368 HydrophobicContact CB-CB 4.33Å; I363-D368 HydrophobicContact CG2-CB 3.96Å; I363-A369 HydrophobicContact CG2-CB 4.26Å; I363-Q372 HydrophobicContact CD1-CB 4.08Å; I363-Q372 HydrophobicContact CD1-CG 3.69Å; I363-Q372 HydrophobicContact CG1-CB 4.37Å; I363-Q372 HydrophobicContact CG1-CG 4.46Å; I363-A430 HydrophobicContact CD1-CB 3.71Å; I363-A430 VanDerWaalsContact CD1-O 3.22Å; I363-A430 WeakPolarHBondContact CD1-O 2.95Å; I363-V433 HydrophobicContact CB-CG1 3.99Å; I363-V433 HydrophobicContact CG2-CG1 3.86Å; I363-S434 WeakPolarHBondContact CD1-OG 3.23Å; I363-I437 HydrophobicContact CG2-CD1 3.61Å
364T83.9Confident74.4Confident41 Ų4152.8 Ų52.825%0.25229%0.285SS..  trans-115.6-24.3-174.458.60000113.6K362 D368K362-T364 HydrophobicContact CB-CG2 4.03Å; K362-T364 HydrophobicContact CD-CG2 3.69Å; K362-T364 HydrophobicContact CG-CG2 3.63Å; K362-T364 PolarHBondContact O-N 2.91Å; K362-T364 VanDerWaalsContact O-N 3.16Å; T364-D368 PolarHBondContact N-OD2 3.36Å; T364-D368 PolarHBondContact OG1-OD2 3.08Å
365N90.9Very high75.8Confident25 Ų2547.5 Ų47.513%0.13426%0.26CS..SBendtrans-142168.3-170.362.861.7000111.7M367 D368 A369 Q409N365-M367 VanDerWaalsContact C-N 3.33Å; N365-M367 PolarHBondContact O-N 2.84Å; N365-M367 WeakPolarHBondContact OD1-CA 3.24Å; N365-M367 WeakPolarHBondContact OD1-CB 3.47Å; N365-M367 PolarHBondContact OD1-N 3.03Å; N365-D368 VanDerWaalsContact CG-OD2 3.22Å; N365-D368 PolarHBondContact N-OD2 3.31Å; N365-D368 VanDerWaalsContact ND2-CG 3.32Å; N365-D368 PolarHBondContact ND2-OD1 3.08Å; N365-D368 PolarHBondContact ND2-OD2 2.99Å; N365-D368 WeakPolarHBondContact O-CB 2.88Å; N365-D368 PolarHBondContact O-N 2.92Å; N365-D368 VanDerWaalsContact O-N 3.13Å; N365-D368 VanDerWaalsContact OD1-CG 3.29Å; N365-D368 PolarHBondContact OD1-N 3.38Å; N365-D368 PolarHBondContact OD1-OD1 3.4Å; N365-D368 PolarHBondContact OD1-OD2 3.16Å; N365-A369 PolarHBondContact O-N 3.02Å; N365-A369 VanDerWaalsContact O-N 3.14Å; N365-Q409 PolarHBondContact OD1-OE1 3.42Å
366P95Very high76.7Confident4 Ų442.8 Ų42.83%0.02624%0.235CC..Hα-helixtrans-50.4-42.5175.7-36.442.8000115.9D368 A369 V370 N411 I437 L441 L475P366-D368 VanDerWaalsContact C-N 3.33Å; P366-D368 PolarHBondContact O-N 3.29Å; P366-A369 PolarHBondContact O-N 2.96Å; P366-V370 WeakPolarHBondContact O-CG2 3.18Å; P366-V370 PolarHBondContact O-N 2.77Å; P366-N411 HydrophobicContact CG-CB 3.93Å; P366-I437 HydrophobicContact CB-CG2 4.38Å; P366-I437 HydrophobicContact CG-CG2 4.11Å; P366-L441 HydrophobicContact CB-CD1 3.78Å; P366-L441 HydrophobicContact CB-CD2 4.17Å; P366-L441 HydrophobicContact CB-CG 4.41Å; P366-L441 HydrophobicContact CG-CD1 4.22Å; P366-L441 HydrophobicContact CG-CD2 3.8Å; P366-L441 HydrophobicContact CG-CG 4.31Å; P366-L475 HydrophobicContact CB-CD1 3.31Å
367M95.1Very high77.3Confident0 Ų037.6 Ų37.60%020%0.204CC..Hα-helixtrans-61.1-44.6177.2170-171.977.800110.8N365 A369 V370 L371 F403 V404 R512 Q515 L516N365-M367 VanDerWaalsContact C-N 3.33Å; N365-M367 PolarHBondContact O-N 2.84Å; N365-M367 WeakPolarHBondContact OD1-CA 3.24Å; N365-M367 WeakPolarHBondContact OD1-CB 3.47Å; N365-M367 PolarHBondContact OD1-N 3.03Å; M367-A369 VanDerWaalsContact C-N 3.31Å; M367-A369 PolarHBondContact O-N 3.11Å; M367-V370 PolarHBondContact O-N 2.84Å; M367-L371 HydrophobicContact CG-CD1 3.82Å; M367-L371 HydrophobicContact CG-CG 4.37Å; M367-L371 WeakPolarHBondContact O-CG 3.35Å; M367-L371 PolarHBondContact O-N 2.8Å; M367-L371 HydrophobicContact SD-CD1 4.49Å; M367-F403 HydrophobicContact CB-CD1 4.42Å; M367-F403 HydrophobicContact CG-CD1 3.86Å; M367-F403 HydrophobicContact CG-CE1 4.43Å; M367-V404 HydrophobicContact SD-CG1 4.14Å; M367-R512 HydrophobicContact CE-CB 4.11Å; M367-R512 HydrophobicContact CE-CG 4.18Å; M367-R512 HydrophobicContact SD-CB 4.24Å; M367-Q515 HydrophobicContact CE-CB 4.14Å; M367-L516 HydrophobicContact SD-CB 3.9Å; M367-L516 HydrophobicContact SD-CD1 4.28Å
368D91Very high77.4Confident3 Ų334 Ų342%0.01618%0.179CC..Hα-helixtrans-60.3-41.8178.7-58.9-25.7000111.6F361 I363 T364 N365 P366 V370 L371 Q372F361-D368 HydrophobicContact CE1-CB 4.09Å; F361-D368 HydrophobicContact CE2-CB 4.43Å; F361-D368 HydrophobicContact CZ-CB 3.53Å; I363-D368 HydrophobicContact CB-CB 4.33Å; I363-D368 HydrophobicContact CG2-CB 3.96Å; T364-D368 PolarHBondContact N-OD2 3.36Å; T364-D368 PolarHBondContact OG1-OD2 3.08Å; N365-D368 VanDerWaalsContact CG-OD2 3.22Å; N365-D368 PolarHBondContact N-OD2 3.31Å; N365-D368 VanDerWaalsContact ND2-CG 3.32Å; N365-D368 PolarHBondContact ND2-OD1 3.08Å; N365-D368 PolarHBondContact ND2-OD2 2.99Å; N365-D368 WeakPolarHBondContact O-CB 2.88Å; N365-D368 PolarHBondContact O-N 2.92Å; N365-D368 VanDerWaalsContact O-N 3.13Å; N365-D368 VanDerWaalsContact OD1-CG 3.29Å; N365-D368 PolarHBondContact OD1-N 3.38Å; N365-D368 PolarHBondContact OD1-OD1 3.4Å; N365-D368 PolarHBondContact OD1-OD2 3.16Å; P366-D368 VanDerWaalsContact C-N 3.33Å; P366-D368 PolarHBondContact O-N 3.29Å; D368-V370 VanDerWaalsContact C-N 3.32Å; D368-V370 PolarHBondContact O-N 3.11Å; D368-L371 PolarHBondContact O-N 3.47Å; D368-Q372 WeakPolarHBondContact O-CB 3.19Å; D368-Q372 PolarHBondContact O-N 3.05Å
369A92Very high77.6Confident0 Ų030.8 Ų30.80%016%0.161CC..Hα-helixtrans-63.7-35.2179.200000112.9I363 N365 P366 M367 I437 L438I363-A369 HydrophobicContact CG2-CB 4.26Å; N365-A369 PolarHBondContact O-N 3.02Å; N365-A369 VanDerWaalsContact O-N 3.14Å; P366-A369 PolarHBondContact O-N 2.96Å; M367-A369 VanDerWaalsContact C-N 3.31Å; M367-A369 PolarHBondContact O-N 3.11Å; A369-I437 HydrophobicContact CB-CB 3.9Å; A369-I437 HydrophobicContact CB-CD1 4.2Å; A369-I437 HydrophobicContact CB-CG2 3.71Å; A369-L438 HydrophobicContact CB-CD2 4.37Å; A369-L438 HydrophobicContact CB-CG 4.13Å
370V93.7Very high78Confident0 Ų028.9 Ų28.90%015%0.151CC..Hα-helixtrans-71.1-44.8173.6176.10000110.9P366 M367 D368 Q372 K373 F403 L438 L475 M478 D479 L482P366-V370 WeakPolarHBondContact O-CG2 3.18Å; P366-V370 PolarHBondContact O-N 2.77Å; M367-V370 PolarHBondContact O-N 2.84Å; D368-V370 VanDerWaalsContact C-N 3.32Å; D368-V370 PolarHBondContact O-N 3.11Å; V370-Q372 VanDerWaalsContact C-N 3.34Å; V370-Q372 PolarHBondContact O-N 3.41Å; V370-K373 PolarHBondContact O-N 3.22Å; V370-F403 HydrophobicContact CB-CE1 4.24Å; V370-F403 HydrophobicContact CG1-CE1 3.87Å; V370-F403 HydrophobicContact CG1-CZ 4.16Å; V370-L438 HydrophobicContact CG2-CD2 3.96Å; V370-L475 HydrophobicContact CG2-CB 3.98Å; V370-L475 HydrophobicContact CG2-CD2 4.33Å; V370-L475 WeakPolarHBondContact CG2-O 3.44Å; V370-M478 HydrophobicContact CG1-CB 4.36Å; V370-D479 HydrophobicContact CG1-CB 4.49Å; V370-D479 HydrophobicContact CG2-CB 4.21Å; V370-L482 HydrophobicContact CG1-CB 4.5Å; V370-L482 HydrophobicContact CG1-CD1 3.66Å
371L91.1Very high77.9Confident4 Ų432.5 Ų32.52%0.02117%0.165CC..Hα-helixtrans-65.4-36.9-179.3-69.5173.4000112.1M367 D368 K373 C374 W377 F403 L516 H519M367-L371 HydrophobicContact CG-CD1 3.82Å; M367-L371 HydrophobicContact CG-CG 4.37Å; M367-L371 WeakPolarHBondContact O-CG 3.35Å; M367-L371 PolarHBondContact O-N 2.8Å; M367-L371 HydrophobicContact SD-CD1 4.49Å; D368-L371 PolarHBondContact O-N 3.47Å; L371-K373 PolarHBondContact O-N 2.91Å; L371-K373 VanDerWaalsContact O-N 3.14Å; L371-C374 WeakPolarHBondContact O-CB 3.41Å; L371-C374 PolarHBondContact O-N 3.29Å; L371-C374 VanDerWaalsContact O-N 3.14Å; L371-W377 HydrophobicContact CB-CZ3 4.17Å; L371-F403 HydrophobicContact CD2-CE1 4.29Å; L371-F403 HydrophobicContact CD2-CZ 4.31Å; L371-F403 HydrophobicContact CG-CE1 4.43Å; L371-L516 HydrophobicContact CD1-CD1 4.06Å; L371-L516 HydrophobicContact CD2-CD1 4.13Å; L371-H519 HydrophobicContact CD1-CB 3.92Å; L371-H519 HydrophobicContact CD2-CB 4.34Å
372Q86.9Confident77.7Confident54 Ų5435.5 Ų35.525%0.25218%0.183SC..Hα-helixtrans-55.1-30.7174.4179.365.122.400112.5I363 D368 V370 A430 S434I363-Q372 HydrophobicContact CD1-CB 4.08Å; I363-Q372 HydrophobicContact CD1-CG 3.69Å; I363-Q372 HydrophobicContact CG1-CB 4.37Å; I363-Q372 HydrophobicContact CG1-CG 4.46Å; D368-Q372 WeakPolarHBondContact O-CB 3.19Å; D368-Q372 PolarHBondContact O-N 3.05Å; V370-Q372 VanDerWaalsContact C-N 3.34Å; V370-Q372 PolarHBondContact O-N 3.41Å; Q372-A430 VanDerWaalsContact NE2-CB 3.33Å; Q372-S434 WeakPolarHBondContact CB-OG 3.48Å; Q372-S434 VanDerWaalsContact CG-OG 3.29Å; Q372-S434 WeakPolarHBondContact CG-OG 3.49Å
373K87.3Confident77.2Confident23 Ų2331 Ų3110%0.116%0.164CC..THydrogen-bonded Turntrans-92.2-5.8-175.4-68.9175.3158.8-160.90114V370 L371 D435 L438 D479 R483 G484V370-K373 PolarHBondContact O-N 3.22Å; L371-K373 PolarHBondContact O-N 2.91Å; L371-K373 VanDerWaalsContact O-N 3.14Å; K373-D435 WeakPolarHBondContact CE-OD1 3.45Å; K373-D435 IonicContact NZ-OD1 2.63Å; K373-D435 PolarHBondContact NZ-OD1 3.03Å; K373-L438 HydrophobicContact CD-CD1 3.62Å; K373-D479 WeakPolarHBondContact CD-OD1 3.25Å; K373-D479 IonicContact NZ-OD1 3.99Å; K373-R483 VanDerWaalsContact CD-NH2 3.3Å; K373-R483 VanDerWaalsContact O-CA 3.3Å; K373-R483 WeakPolarHBondContact O-CA 3.41Å; K373-G484 PolarHBondContact O-N 2.96Å
374C88Confident76.2Confident15 Ų1534.9 Ų34.910%0.10118%0.178CC..BIsolated β-bridgetrans-63.6147.9171.9-65.20000109.9L371 L376 K485L371-C374 WeakPolarHBondContact O-CB 3.41Å; L371-C374 PolarHBondContact O-N 3.29Å; L371-C374 VanDerWaalsContact O-N 3.14Å; C374-L376 PolarHBondContact O-N 2.86Å; C374-K485 CarbonylContact C-O 3.46Å; C374-K485 WeakPolarHBondContact CB-O 3.18Å
375A74.3Confident75.4Confident19 Ų1935.6 Ų35.616%0.15719%0.185CC..SBendtrans-75.4134.9174.700000109.2V390 G484 K485 V486A375-V390 HydrophobicContact CB-CB 4.48Å; A375-V390 HydrophobicContact CB-CG1 3.29Å; A375-V390 HydrophobicContact CB-CG2 4.4Å; A375-G484 VanDerWaalsContact CB-CA 3.44Å; A375-G484 WeakPolarHBondContact CB-O 3.47Å; A375-K485 VanDerWaalsContact N-N 3.16Å; A375-K485 PolarHBondContact N-O 3.38Å; A375-V486 WeakPolarHBondContact O-CG2 3.35Å
376L64.5Low74.6Confident22 Ų2240.1 Ų40.112%0.11520%0.2CC..SBendtrans5786.6178.3-52.2178.2000108C374 P378 S383 R386 V387 V390 V486C374-L376 PolarHBondContact O-N 2.86Å; L376-P378 VanDerWaalsContact O-CD 3.28Å; L376-P378 WeakPolarHBondContact O-CD 3.44Å; L376-S383 WeakPolarHBondContact CB-OG 3.39Å; L376-R386 HydrophobicContact CD1-CB 3.68Å; L376-R386 WeakPolarHBondContact CD1-O 3.5Å; L376-R386 HydrophobicContact CD2-CB 4.2Å; L376-V387 HydrophobicContact CD1-CB 4.47Å; L376-V390 HydrophobicContact CD1-CB 4Å; L376-V390 HydrophobicContact CD1-CG2 3.38Å; L376-V390 HydrophobicContact CG-CG2 3.92Å; L376-V486 HydrophobicContact CB-CG2 4.5Å
377W58.4Low73.7Confident39 Ų3940.1 Ų40.115%0.14820%0.2CC..  trans-40.3114.2152.6-167-108.7000104.8F361 L371 F379 L380 S383 H519F361-W377 HydrophobicContact CB-CH2 4.14Å; F361-W377 HydrophobicContact CB-CZ2 3.63Å; F361-W377 AromaticContact CD1-CH2 3.28Å; F361-W377 HydrophobicContact CD1-CH2 3.28Å; F361-W377 AromaticContact CD1-CZ2 3.69Å; F361-W377 HydrophobicContact CD1-CZ2 3.69Å; F361-W377 AromaticContact CD1-CZ3 3.87Å; F361-W377 HydrophobicContact CD1-CZ3 3.87Å; F361-W377 AromaticContact CD2-CH2 3.33Å; F361-W377 HydrophobicContact CD2-CH2 3.33Å; F361-W377 AromaticContact CD2-CZ2 3.43Å; F361-W377 HydrophobicContact CD2-CZ2 3.43Å; F361-W377 VanDerWaalsContact CD2-CZ2 3.43Å; F361-W377 AromaticContact CE1-CH2 3.31Å; F361-W377 HydrophobicContact CE1-CH2 3.31Å; F361-W377 HydrophobicContact CE1-CZ2 4.19Å; F361-W377 AromaticContact CE1-CZ3 3.7Å; F361-W377 HydrophobicContact CE1-CZ3 3.7Å; F361-W377 AromaticContact CE2-CH2 3.39Å; F361-W377 HydrophobicContact CE2-CH2 3.39Å; F361-W377 AromaticContact CE2-CZ2 3.98Å; F361-W377 HydrophobicContact CE2-CZ2 3.98Å; F361-W377 HydrophobicContact CE2-CZ3 4.42Å; F361-W377 AromaticContact CG-CH2 3.27Å; F361-W377 HydrophobicContact CG-CH2 3.27Å; F361-W377 AromaticContact CG-CZ2 3.26Å; F361-W377 HydrophobicContact CG-CZ2 3.26Å; F361-W377 HydrophobicContact CG-CZ3 4.28Å; F361-W377 AromaticContact CZ-CH2 3.36Å; F361-W377 HydrophobicContact CZ-CH2 3.36Å; F361-W377 HydrophobicContact CZ-CZ2 4.31Å; F361-W377 AromaticContact CZ-CZ3 3.99Å; F361-W377 HydrophobicContact CZ-CZ3 3.99Å; L371-W377 HydrophobicContact CB-CZ3 4.17Å; W377-F379 AromaticContact NE1-CD2 3.9Å; W377-F379 PolarHBondContact O-N 3.4Å; W377-L380 HydrophobicContact CB-CD1 4.23Å; W377-L380 HydrophobicContact CB-CG 4.18Å; W377-L380 PolarHBondContact O-N 2.97Å; W377-S383 WeakPolarHBondContact O-CB 3.38Å; W377-S383 PolarHBondContact O-OG 2.9Å; W377-H519 AromaticContact CE2-CD2 3.86Å; W377-H519 AromaticContact CH2-CD2 2.95Å; W377-H519 WeakPolarHBondContact CH2-CD2 3.25Å; W377-H519 AromaticContact CH2-CG 3.82Å; W377-H519 AromaticContact CH2-NE2 3.18Å; W377-H519 WeakPolarHBondContact CH2-NE2 3.4Å; W377-H519 AromaticContact CZ2-CD2 3.01Å; W377-H519 WeakPolarHBondContact CZ2-CD2 3.4Å; W377-H519 AromaticContact CZ2-NE2 3.13Å; W377-H519 WeakPolarHBondContact CZ2-NE2 3.46Å; W377-H519 AromaticContact CZ3-CD2 3.82Å
378P51.2Low72.9Confident10 Ų1041.3 Ų41.37%0.06521%0.206CC..THydrogen-bonded Turntrans-50.3132164.325.8-30.3000102.1L376L376-P378 VanDerWaalsContact O-CD 3.28Å; L376-P378 WeakPolarHBondContact O-CD 3.44Å
379F53.5Low72.2Confident15 Ų1547 Ų477%0.06623%0.233CC..THydrogen-bonded Turntrans97.81.1-178.5-21.5-51.2000120.9V293 Y294 W377 S518V293-F379 HydrophobicContact CB-CE1 4.2Å; V293-F379 HydrophobicContact CB-CZ 4.49Å; V293-F379 HydrophobicContact CG1-CE1 3.8Å; V293-F379 HydrophobicContact CG1-CZ 3.6Å; Y294-F379 HydrophobicContact CD1-CB 4.16Å; Y294-F379 AromaticContact CD1-CD1 3.52Å; Y294-F379 HydrophobicContact CD1-CD1 3.52Å; Y294-F379 HydrophobicContact CD1-CE1 4.34Å; Y294-F379 AromaticContact CD1-CG 3.96Å; Y294-F379 HydrophobicContact CD1-CG 3.96Å; Y294-F379 AromaticContact CD2-CD1 3.82Å; Y294-F379 HydrophobicContact CD2-CD1 3.82Å; Y294-F379 HydrophobicContact CD2-CE1 4.26Å; Y294-F379 HydrophobicContact CE1-CB 3.4Å; Y294-F379 AromaticContact CE1-CD1 3.41Å; Y294-F379 HydrophobicContact CE1-CD1 3.41Å; Y294-F379 VanDerWaalsContact CE1-CD1 3.41Å; Y294-F379 AromaticContact CE1-CG 3.67Å; Y294-F379 HydrophobicContact CE1-CG 3.67Å; Y294-F379 AromaticContact CE2-CD1 3.71Å; Y294-F379 HydrophobicContact CE2-CD1 3.71Å; Y294-F379 HydrophobicContact CE2-CE1 4.48Å; Y294-F379 AromaticContact CG-CD1 3.75Å; Y294-F379 HydrophobicContact CG-CD1 3.75Å; Y294-F379 HydrophobicContact CG-CE1 4.22Å; Y294-F379 AromaticContact CZ-CD1 3.54Å; Y294-F379 VanDerWaalsContact OH-CA 3.29Å; Y294-F379 WeakPolarHBondContact OH-CA 3.24Å; W377-F379 AromaticContact NE1-CD2 3.9Å; W377-F379 PolarHBondContact O-N 3.4Å; F379-S518 WeakPolarHBondContact CE2-O 3.38Å
380L57.6Low71.5Confident96 Ų9647.8 Ų47.850%0.50324%0.238SC..SBendtrans-75.4143.1152.2-68.7164.2000108.2W377 D382 S383W377-L380 HydrophobicContact CB-CD1 4.23Å; W377-L380 HydrophobicContact CB-CG 4.18Å; W377-L380 PolarHBondContact O-N 2.97Å; L380-D382 PolarHBondContact O-N 3.07Å; L380-D382 VanDerWaalsContact O-N 3.14Å; L380-S383 WeakPolarHBondContact CB-OG 3.48Å; L380-S383 WeakPolarHBondContact O-CB 3.32Å; L380-S383 PolarHBondContact O-N 3.39Å
381L54.5Low70.9Confident156 Ų15649.8 Ų49.882%0.81725%0.248SC*.Hα-helixtrans-54.1-38.1-177.7-170.563.9000111.5S383L381-S383 VanDerWaalsContact C-N 3.34Å; L381-S383 PolarHBondContact O-N 3.2Å
382D61.7Low70.8Confident108 Ų10849.8 Ų49.858%0.57825%0.248SC*.Hα-helixtrans-75.4-18.9178.8-62.9-12.5000113.8L380 Y384 S385 R386L380-D382 PolarHBondContact O-N 3.07Å; L380-D382 VanDerWaalsContact O-N 3.14Å; D382-Y384 VanDerWaalsContact C-N 3.28Å; D382-Y384 PolarHBondContact O-N 2.67Å; D382-S385 PolarHBondContact O-N 2.95Å; D382-S385 PolarHBondContact O-OG 3.01Å; D382-R386 PolarHBondContact O-N 3.26Å
383S65.7Low71Confident3 Ų347.3 Ų47.32%0.02124%0.236CC..Hα-helixtrans-64-34.7-179.6-67.70000112.3L376 W377 L380 L381 S385 R386 V387L376-S383 WeakPolarHBondContact CB-OG 3.39Å; W377-S383 WeakPolarHBondContact O-CB 3.38Å; W377-S383 PolarHBondContact O-OG 2.9Å; L380-S383 WeakPolarHBondContact CB-OG 3.48Å; L380-S383 WeakPolarHBondContact O-CB 3.32Å; L380-S383 PolarHBondContact O-N 3.39Å; L381-S383 VanDerWaalsContact C-N 3.34Å; L381-S383 PolarHBondContact O-N 3.2Å; S383-S385 PolarHBondContact O-N 3.48Å; S383-R386 PolarHBondContact O-N 3.31Å; S383-V387 WeakPolarHBondContact O-CB 3.49Å; S383-V387 PolarHBondContact O-N 2.99Å
384Y64.3Low71.3Confident95 Ų9546.2 Ų46.237%0.37323%0.232SC..Hα-helixtrans-61.4-46.1-179.6-178.7-99.7000111.8R287 I290 L291 D382 R386R287-Y384 HydrophobicContact CB-CE2 4.25Å; R287-Y384 VanDerWaalsContact O-CE2 3.3Å; R287-Y384 WeakPolarHBondContact O-CE2 3.43Å; I290-Y384 HydrophobicContact CB-CD2 4.47Å; L291-Y384 HydrophobicContact CD1-CE2 3.72Å; D382-Y384 VanDerWaalsContact C-N 3.28Å; D382-Y384 PolarHBondContact O-N 2.67Å; Y384-R386 VanDerWaalsContact C-N 3.28Å; Y384-R386 PolarHBondContact O-N 3.32Å
385S67.9Low71.8Confident56 Ų5645.5 Ų45.539%0.39223%0.227SC..Hα-helixtrans-65.7-30.6177.836.40000113R287 D382 S383R287-S385 PolarHBondContact NE-O 3.45Å; R287-S385 PolarHBondContact NH2-O 3Å; D382-S385 PolarHBondContact O-N 2.95Å; D382-S385 PolarHBondContact O-OG 3.01Å; S383-S385 PolarHBondContact O-N 3.48Å
386R73.7Confident72.8Confident121 Ų12144.8 Ų44.846%0.45722%0.221SC..Hα-helixtrans-105.3-8.1-167.2-64.1177.163.7-157.2-3115L376 D382 S383 Y384 D388 E389L376-R386 HydrophobicContact CD1-CB 3.68Å; L376-R386 WeakPolarHBondContact CD1-O 3.5Å; L376-R386 HydrophobicContact CD2-CB 4.2Å; D382-R386 PolarHBondContact O-N 3.26Å; S383-R386 PolarHBondContact O-N 3.31Å; Y384-R386 VanDerWaalsContact C-N 3.28Å; Y384-R386 PolarHBondContact O-N 3.32Å; R386-D388 PolarHBondContact O-N 2.98Å; R386-D388 VanDerWaalsContact O-N 3.11Å; R386-E389 WeakPolarHBondContact O-CB 3.37Å; R386-E389 PolarHBondContact O-N 2.98Å
387V75Confident74.4Confident4 Ų444.3 Ų44.32%0.02422%0.219CC..G310 helixtrans-54.6-36.4-172.270.10000114.3L286 R287 I290 L376 S383 E389 V486L286-V387 HydrophobicContact CB-CG1 3.95Å; L286-V387 HydrophobicContact CB-CG2 3.85Å; L286-V387 HydrophobicContact CD1-CG2 3.91Å; R287-V387 HydrophobicContact CG-CG1 3.68Å; I290-V387 HydrophobicContact CD1-CB 3.67Å; I290-V387 HydrophobicContact CD1-CG1 3.57Å; I290-V387 HydrophobicContact CD1-CG2 3.75Å; L376-V387 HydrophobicContact CD1-CB 4.47Å; S383-V387 WeakPolarHBondContact O-CB 3.49Å; S383-V387 PolarHBondContact O-N 2.99Å; V387-E389 VanDerWaalsContact C-N 3.31Å; V387-V486 HydrophobicContact CG2-CG1 4.31Å; V387-V486 HydrophobicContact CG2-CG2 4.08Å
388D78.8Confident76.3Confident24 Ų2443.6 Ų43.613%0.12822%0.22CC..G310 helixtrans-81.6-11.3-178.4-75.3-36.1000113.2H282 S285 L286 R287 R386 R392H282-D388 PolarHBondContact CD2-O 3.12Å; S285-D388 WeakPolarHBondContact CA-OD1 3.3Å; S285-D388 WeakPolarHBondContact CB-OD2 3.09Å; S285-D388 PolarHBondContact OG-OD2 3.41Å; L286-D388 PolarHBondContact N-OD1 3.11Å; R287-D388 WeakPolarHBondContact CG-OD2 3.42Å; R287-D388 IonicContact NE-OD2 2.63Å; R386-D388 PolarHBondContact O-N 2.98Å; R386-D388 VanDerWaalsContact O-N 3.11Å; D388-R392 IonicContact OD1-NH2 2.92Å; D388-R392 PolarHBondContact OD1-NH2 2.71Å
389E76.5Confident78.5Confident122 Ų12243.1 Ų43.157%0.5722%0.216SC*.G310 helixtrans-89.8-9.6177.5-57.7170.9-177.700111.8R386 V387R386-E389 WeakPolarHBondContact O-CB 3.37Å; R386-E389 PolarHBondContact O-N 2.98Å; V387-E389 VanDerWaalsContact C-N 3.31Å
390V76.9Confident80.6Confident17 Ų1742.4 Ų42.410%0.10321%0.213CC..SBendtrans-105.7136.6-173174.70000110.6A375 L376 R392 V486A375-V390 HydrophobicContact CB-CB 4.48Å; A375-V390 HydrophobicContact CB-CG1 3.29Å; A375-V390 HydrophobicContact CB-CG2 4.4Å; L376-V390 HydrophobicContact CD1-CB 4Å; L376-V390 HydrophobicContact CD1-CG2 3.38Å; L376-V390 HydrophobicContact CG-CG2 3.92Å; V390-R392 PolarHBondContact O-N 3.41Å; V390-V486 HydrophobicContact CB-CG2 4.06Å; V390-V486 HydrophobicContact CG1-CG2 3.75Å
391N82.3Confident82.5Confident42 Ų4239 Ų3923%0.22520%0.195CC..  trans-56.5139.6176.8-75.2-17.3000111.9Q220 P221 K485 V486Q220-N391 PolarHBondContact O-ND2 3.06Å; P221-N391 WeakPolarHBondContact CA-ND2 3.42Å; N391-K485 HydrophobicContact CB-CD 4.27Å; N391-K485 HydrophobicContact CB-CG 4.09Å; N391-K485 CarbonylContact O-C 3.52Å; N391-K485 WeakPolarHBondContact O-CA 3.46Å; N391-K485 VanDerWaalsContact O-CB 3.24Å; N391-K485 WeakPolarHBondContact O-CB 3.41Å; N391-V486 PolarHBondContact O-N 3.49Å
392R87Confident84.6Confident5 Ų531.5 Ų31.52%0.01916%0.156CC..EExtended strand (participates in β ladder)trans-102.2150.2-176.2-56.3167.3-171.9-168.6-4.4110H282 V284 L286 D388 V390 V486 V488 L560 A562H282-R392 PolarHBondContact CD2-NH2 3.18Å; H282-R392 VanDerWaalsContact CD2-NH2 3.32Å; H282-R392 VanDerWaalsContact CG-NH2 3.34Å; V284-R392 PolarHBondContact O-NH1 2.83Å; V284-R392 PolarHBondContact O-NH2 3.11Å; L286-R392 HydrophobicContact CD1-CG 4.03Å; D388-R392 IonicContact OD1-NH2 2.92Å; D388-R392 PolarHBondContact OD1-NH2 2.71Å; V390-R392 PolarHBondContact O-N 3.41Å; R392-V486 WeakPolarHBondContact CA-O 2.9Å; R392-V488 HydrophobicContact CB-CG1 4.4Å; R392-L560 VanDerWaalsContact NH1-CD2 3.3Å; R392-A562 HydrophobicContact CB-CB 3.93Å; R392-A562 WeakPolarHBondContact O-CB 3.49Å
393I91.8Very high86.3Confident1 Ų126.4 Ų26.41%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-132.2129.1167.3-154.1160000109.7L482 K485 V486 P487 V488 L563 I565I393-L482 HydrophobicContact CG2-CD2 3.25Å; I393-L482 HydrophobicContact CG2-CG 4.2Å; I393-K485 HydrophobicContact CB-CD 4.39Å; I393-K485 HydrophobicContact CD1-CD 4.42Å; I393-V486 PolarHBondContact N-O 3.1Å; I393-P487 HydrophobicContact CG2-CB 4.36Å; I393-P487 WeakPolarHBondContact O-CA 2.95Å; I393-V488 WeakPolarHBondContact O-CG2 3.49Å; I393-V488 PolarHBondContact O-N 3.34Å; I393-L563 HydrophobicContact CG1-CB 4.33Å; I393-L563 VanDerWaalsContact CG1-O 3.24Å; I393-L563 WeakPolarHBondContact CG1-O 3.3Å; I393-I565 HydrophobicContact CD1-CD1 3.69Å; I393-I565 HydrophobicContact CD1-CG1 3.8Å; I393-I565 HydrophobicContact CG1-CD1 4.11Å; I393-I565 HydrophobicContact CG1-CG1 3.92Å
394N94.8Very high87.8Confident0 Ų026.2 Ų26.20%013%0.128CC..EExtended strand (participates in β ladder)trans-91.9135.4-176.4-179.446.1000110V488 I553 G557 A562 L563 T564 I565N394-V488 WeakPolarHBondContact CA-O 3.46Å; N394-V488 HydrophobicContact CB-CG2 4.06Å; N394-I553 PolarHBondContact ND2-O 3.14Å; N394-G557 PolarHBondContact ND2-N 2.92Å; N394-A562 HydrophobicContact CB-CB 4.13Å; N394-L563 PolarHBondContact N-O 2.98Å; N394-T564 PolarHBondContact ND2-OG1 2.94Å; N394-T564 CarbonylContact O-C 3.57Å; N394-T564 VanDerWaalsContact O-CA 3.32Å; N394-T564 WeakPolarHBondContact O-CA 3.28Å; N394-I565 PolarHBondContact O-N 2.93Å
395L97Very high89.4Confident0 Ų021.7 Ų21.70%011%0.11CC..EExtended strand (participates in β ladder)trans-106.2119.7-178.9-58.3-176.8000111A399 L400 F403 P487 V488 L520 I565L395-A399 HydrophobicContact CB-CB 4.41Å; L395-A399 HydrophobicContact CD2-CB 4.29Å; L395-L400 HydrophobicContact CB-CD2 4Å; L395-L400 HydrophobicContact CD1-CD2 3.98Å; L395-F403 HydrophobicContact CD1-CD2 4.49Å; L395-F403 HydrophobicContact CD1-CE2 3.94Å; L395-F403 HydrophobicContact CD2-CE2 4.37Å; L395-P487 HydrophobicContact CD1-CB 4.07Å; L395-V488 PolarHBondContact N-O 3.31Å; L395-L520 HydrophobicContact CD1-CD1 4.09Å; L395-L520 HydrophobicContact CD1-CD2 3.61Å; L395-I565 HydrophobicContact CD2-CB 4.09Å; L395-I565 HydrophobicContact CD2-CD1 3.87Å; L395-I565 HydrophobicContact CD2-CG1 4.21Å
396D97Very high90.7Very high5 Ų521.1 Ų21.13%0.02710%0.101CC..  trans-76.8163.1167.5176.643000111.8S398 A399 L400 I553 T564 I565 T566D396-S398 PolarHBondContact O-N 3.17Å; D396-S398 VanDerWaalsContact O-N 3.16Å; D396-S398 PolarHBondContact OD2-OG 2.95Å; D396-A399 WeakPolarHBondContact O-CA 3.44Å; D396-A399 WeakPolarHBondContact O-CB 3.42Å; D396-A399 PolarHBondContact O-N 3.31Å; D396-L400 PolarHBondContact O-N 3.35Å; D396-I553 HydrophobicContact CB-CG2 4.02Å; D396-I553 VanDerWaalsContact OD1-CD1 3.23Å; D396-I553 WeakPolarHBondContact OD1-CD1 3.44Å; D396-T564 HydrophobicContact CB-CG2 4.16Å; D396-I565 WeakPolarHBondContact CB-O 3.46Å; D396-I565 PolarHBondContact N-O 2.78Å; D396-T566 WeakPolarHBondContact OD2-CB 3.29Å; D396-T566 PolarHBondContact OD2-OG1 3.08Å
397V97.4Very high91.7Very high12 Ų1215.4 Ų15.47%0.0738%0.08CC..Hα-helixtrans-51.6-40.6177.5-177.70000111.7A399 L400 I401 A493 F497 I500 L549 I553V397-A399 VanDerWaalsContact C-N 3.33Å; V397-A399 PolarHBondContact O-N 3.25Å; V397-L400 PolarHBondContact O-N 2.83Å; V397-I401 HydrophobicContact CG1-CD1 4.09Å; V397-I401 WeakPolarHBondContact O-CG1 3.18Å; V397-I401 PolarHBondContact O-N 3.45Å; V397-A493 HydrophobicContact CG2-CB 4.16Å; V397-F497 HydrophobicContact CG1-CB 4.48Å; V397-I500 HydrophobicContact CG1-CD1 3.69Å; V397-L549 HydrophobicContact CG2-CD2 4.37Å; V397-I553 HydrophobicContact CG2-CD1 3.79Å
398S97Very high92.7Very high24 Ų2415.2 Ų15.217%0.1688%0.078CC..Hα-helixtrans-65.8-33.5178.255.90000113.4D396 A402 T566 S567D396-S398 PolarHBondContact O-N 3.17Å; D396-S398 VanDerWaalsContact O-N 3.16Å; D396-S398 PolarHBondContact OD2-OG 2.95Å; S398-A402 WeakPolarHBondContact O-CB 3.38Å; S398-A402 PolarHBondContact O-N 2.89Å; S398-T566 WeakPolarHBondContact OG-CA 3.18Å; S398-T566 PolarHBondContact OG-OG1 3.42Å; S398-T566 VanDerWaalsContact OG-OG1 3.12Å; S398-S567 PolarHBondContact OG-N 3.31Å
399A97.7Very high93.5Very high0 Ų015 Ų150%08%0.077CC..Hα-helixtrans-68.9-42.5172.700000111.1L395 D396 V397 I401 A402 F403 M478 I565L395-A399 HydrophobicContact CB-CB 4.41Å; L395-A399 HydrophobicContact CD2-CB 4.29Å; D396-A399 WeakPolarHBondContact O-CA 3.44Å; D396-A399 WeakPolarHBondContact O-CB 3.42Å; D396-A399 PolarHBondContact O-N 3.31Å; V397-A399 VanDerWaalsContact C-N 3.33Å; V397-A399 PolarHBondContact O-N 3.25Å; A399-I401 VanDerWaalsContact C-N 3.31Å; A399-I401 PolarHBondContact O-N 2.85Å; A399-A402 PolarHBondContact O-N 2.95Å; A399-F403 WeakPolarHBondContact O-CD2 3.39Å; A399-F403 PolarHBondContact O-N 2.94Å; A399-M478 HydrophobicContact CB-CE 4.19Å; A399-M478 VanDerWaalsContact O-CE 3.31Å; A399-M478 WeakPolarHBondContact O-CE 3.44Å; A399-I565 HydrophobicContact CB-CB 3.99Å; A399-I565 HydrophobicContact CB-CG2 3.61Å; A399-I565 WeakPolarHBondContact CB-O 3.46Å
400L98.3Very high94.3Very high0 Ų011.2 Ų11.20%06%0.058CC..Hα-helixtrans-59.9-41.4175.2-57.6174.9000111.8L395 D396 V397 F403 V404 V489 I494 F497 L516 L520L395-L400 HydrophobicContact CB-CD2 4Å; L395-L400 HydrophobicContact CD1-CD2 3.98Å; D396-L400 PolarHBondContact O-N 3.35Å; V397-L400 PolarHBondContact O-N 2.83Å; L400-F403 WeakPolarHBondContact O-CB 3.35Å; L400-F403 PolarHBondContact O-N 2.73Å; L400-V404 PolarHBondContact O-N 3.45Å; L400-V489 HydrophobicContact CD1-CG2 3.97Å; L400-V489 HydrophobicContact CD2-CG2 4.46Å; L400-I494 HydrophobicContact CD1-CD1 4.44Å; L400-F497 HydrophobicContact CB-CD1 4.37Å; L400-F497 HydrophobicContact CB-CD2 3.59Å; L400-F497 HydrophobicContact CB-CE1 4.46Å; L400-F497 HydrophobicContact CB-CE2 3.72Å; L400-F497 HydrophobicContact CB-CG 3.93Å; L400-F497 HydrophobicContact CB-CZ 4.15Å; L400-F497 HydrophobicContact CD1-CB 3.74Å; L400-F497 HydrophobicContact CD1-CD1 4.11Å; L400-F497 HydrophobicContact CD1-CD2 4.31Å; L400-F497 HydrophobicContact CD1-CG 3.8Å; L400-L516 HydrophobicContact CB-CD2 4.37Å; L400-L516 HydrophobicContact CD2-CD2 3.89Å; L400-L520 HydrophobicContact CD2-CD1 3.55Å
401I98.3Very high94.9Very high23 Ų2311.4 Ų11.412%0.1186%0.059CC..Hα-helixtrans-62.9-46.4174.6-69.3165.8000111V397 A399 F403 V404 S405 F497 I500 R590 L592V397-I401 HydrophobicContact CG1-CD1 4.09Å; V397-I401 WeakPolarHBondContact O-CG1 3.18Å; V397-I401 PolarHBondContact O-N 3.45Å; A399-I401 VanDerWaalsContact C-N 3.31Å; A399-I401 PolarHBondContact O-N 2.85Å; I401-F403 PolarHBondContact O-N 3.33Å; I401-V404 PolarHBondContact O-N 3.26Å; I401-V404 VanDerWaalsContact O-N 3.15Å; I401-S405 WeakPolarHBondContact O-CB 3.47Å; I401-S405 PolarHBondContact O-N 3.3Å; I401-F497 HydrophobicContact CG1-CD2 4.3Å; I401-F497 HydrophobicContact CG1-CE2 4.43Å; I401-I500 HydrophobicContact CD1-CD1 3.91Å; I401-I500 HydrophobicContact CD1-CG2 4.33Å; I401-R590 WeakPolarHBondContact CG2-O 3.36Å; I401-L592 HydrophobicContact CG2-CD2 4.02Å; I401-L592 HydrophobicContact CG2-CG 4.18Å
402A97.7Very high94.8Very high0 Ų011.7 Ų11.70%06%0.063CC..Hα-helixtrans-63.3-31.2179.700000112.8S398 A399 V404 S408 V474 M478 R590S398-A402 WeakPolarHBondContact O-CB 3.38Å; S398-A402 PolarHBondContact O-N 2.89Å; A399-A402 PolarHBondContact O-N 2.95Å; A402-V404 VanDerWaalsContact C-N 3.33Å; A402-V404 PolarHBondContact O-N 2.89Å; A402-S408 WeakPolarHBondContact O-CB 3.36Å; A402-S408 PolarHBondContact O-OG 3.15Å; A402-V474 HydrophobicContact CB-CG1 4.24Å; A402-V474 HydrophobicContact CB-CG2 3.97Å; A402-M478 HydrophobicContact CB-CE 3.49Å; A402-M478 VanDerWaalsContact CB-CE 3.49Å; A402-R590 HydrophobicContact CB-CB 3.95Å; A402-R590 HydrophobicContact CB-CG 3.9Å
403F97.7Very high94.1Very high0 Ų014.2 Ų14.20%08%0.079CC..Hα-helixtrans-63.3-36.3173.1-99.9-69.4000113.7M367 V370 L371 L395 A399 L400 I401 Q409 L475 M478 L482 L516M367-F403 HydrophobicContact CB-CD1 4.42Å; M367-F403 HydrophobicContact CG-CD1 3.86Å; M367-F403 HydrophobicContact CG-CE1 4.43Å; V370-F403 HydrophobicContact CB-CE1 4.24Å; V370-F403 HydrophobicContact CG1-CE1 3.87Å; V370-F403 HydrophobicContact CG1-CZ 4.16Å; L371-F403 HydrophobicContact CD2-CE1 4.29Å; L371-F403 HydrophobicContact CD2-CZ 4.31Å; L371-F403 HydrophobicContact CG-CE1 4.43Å; L395-F403 HydrophobicContact CD1-CD2 4.49Å; L395-F403 HydrophobicContact CD1-CE2 3.94Å; L395-F403 HydrophobicContact CD2-CE2 4.37Å; A399-F403 WeakPolarHBondContact O-CD2 3.39Å; A399-F403 PolarHBondContact O-N 2.94Å; L400-F403 WeakPolarHBondContact O-CB 3.35Å; L400-F403 PolarHBondContact O-N 2.73Å; I401-F403 PolarHBondContact O-N 3.33Å; F403-Q409 PolarHBondContact O-NE2 2.88Å; F403-L475 HydrophobicContact CD1-CD2 3.66Å; F403-L475 HydrophobicContact CE1-CD2 4.11Å; F403-L475 HydrophobicContact CG-CD2 4.35Å; F403-M478 HydrophobicContact CD1-SD 4.08Å; F403-M478 HydrophobicContact CD2-CE 4Å; F403-M478 HydrophobicContact CD2-SD 3.64Å; F403-M478 HydrophobicContact CE1-SD 4.12Å; F403-M478 HydrophobicContact CE2-CE 4.37Å; F403-M478 HydrophobicContact CE2-SD 3.67Å; F403-M478 HydrophobicContact CG-CE 4.45Å; F403-M478 HydrophobicContact CG-SD 3.88Å; F403-M478 HydrophobicContact CZ-SD 3.94Å; F403-L482 HydrophobicContact CE1-CD1 4.35Å; F403-L482 HydrophobicContact CE2-CD1 4Å; F403-L482 HydrophobicContact CZ-CD1 3.39Å; F403-L516 HydrophobicContact CB-CD1 4.42Å; F403-L516 HydrophobicContact CB-CD2 3.71Å; F403-L516 HydrophobicContact CD1-CD1 4.31Å; F403-L516 HydrophobicContact CD2-CD1 4.32Å; F403-L516 HydrophobicContact CD2-CD2 4.32Å; F403-L516 HydrophobicContact CG-CD1 4.13Å; F403-L516 HydrophobicContact CG-CD2 4.16Å
404V97.4Very high93.1Very high0 Ų015.7 Ų15.70%08%0.084CC..Hα-helixtrans-109.6-10.3-168.1-52.50000113.5M367 L400 I401 A402 E406 F497 L501 R512 L516 L592M367-V404 HydrophobicContact SD-CG1 4.14Å; L400-V404 PolarHBondContact O-N 3.45Å; I401-V404 PolarHBondContact O-N 3.26Å; I401-V404 VanDerWaalsContact O-N 3.15Å; A402-V404 VanDerWaalsContact C-N 3.33Å; A402-V404 PolarHBondContact O-N 2.89Å; V404-E406 PolarHBondContact O-N 3.08Å; V404-F497 HydrophobicContact CG1-CZ 4.25Å; V404-F497 HydrophobicContact CG2-CE2 4.03Å; V404-F497 HydrophobicContact CG2-CZ 4.03Å; V404-L501 HydrophobicContact CG2-CD2 4.46Å; V404-R512 HydrophobicContact CB-CB 3.92Å; V404-R512 HydrophobicContact CG1-CB 3.99Å; V404-R512 VanDerWaalsContact O-CZ 3.26Å; V404-R512 PolarHBondContact O-NE 3.45Å; V404-R512 PolarHBondContact O-NH2 3.26Å; V404-L516 HydrophobicContact CG1-CB 4.21Å; V404-L516 HydrophobicContact CG1-CD2 3.84Å; V404-L592 HydrophobicContact CG2-CD2 3.7Å
405S96.6Very high91.5Very high0 Ų017.8 Ų17.80%010%0.099CC..  trans-49.8131176.4173.90000111.4I401 L407 S408 Q409 A591I401-S405 WeakPolarHBondContact O-CB 3.47Å; I401-S405 PolarHBondContact O-N 3.3Å; S405-L407 VanDerWaalsContact C-N 3.26Å; S405-L407 PolarHBondContact O-N 2.82Å; S405-S408 WeakPolarHBondContact O-CB 3.33Å; S405-S408 PolarHBondContact O-N 3.12Å; S405-S408 VanDerWaalsContact O-N 3.07Å; S405-S408 PolarHBondContact O-OG 2.83Å; S405-Q409 WeakPolarHBondContact O-CG 3.31Å; S405-Q409 PolarHBondContact O-N 2.95Å; S405-A591 VanDerWaalsContact CB-O 3.29Å; S405-A591 WeakPolarHBondContact CB-O 3.43Å; S405-A591 PolarHBondContact OG-O 3.47Å
406E95.4Very high89.6Confident44 Ų4420.7 Ų20.721%0.20612%0.118CC..THydrogen-bonded Turntrans-46.3-47.2175.3175.5-167-165.600113.1V404 S408 Q409 F410 H454 E509 T593 E594 R598V404-E406 PolarHBondContact O-N 3.08Å; E406-S408 VanDerWaalsContact C-N 3.32Å; E406-S408 PolarHBondContact O-N 3.05Å; E406-Q409 PolarHBondContact O-N 2.86Å; E406-F410 PolarHBondContact O-N 2.83Å; E406-H454 IonicContact OE1-NE2 3.43Å; E406-H454 PolarHBondContact OE1-NE2 3.21Å; E406-E509 PolarHBondContact N-OE1 2.65Å; E406-E509 VanDerWaalsContact N-OE1 3.15Å; E406-T593 WeakPolarHBondContact CB-OG1 3.48Å; E406-T593 VanDerWaalsContact OE2-C 3.23Å; E406-T593 WeakPolarHBondContact OE2-CB 3.15Å; E406-T593 PolarHBondContact OE2-OG1 3.07Å; E406-E594 PolarHBondContact OE2-N 3.46Å; E406-R598 IonicContact OE1-CZ 3.67Å; E406-R598 IonicContact OE1-NH1 3.68Å; E406-R598 IonicContact OE1-NH2 2.78Å; E406-R598 PolarHBondContact OE1-NH2 3.44Å; E406-R598 IonicContact OE2-CZ 3.84Å; E406-R598 IonicContact OE2-NH2 2.8Å; E406-R598 PolarHBondContact OE2-NH2 3.36Å
407L95.2Very high87.6Confident1 Ų125 Ų251%0.00515%0.145CC..G310 helixtrans-63.5-38.4-177.9-58.9179.1000112.4S405 Q409 F410 R446 L450 H454 L457 L465 I466 E469 T593S405-L407 VanDerWaalsContact C-N 3.26Å; S405-L407 PolarHBondContact O-N 2.82Å; L407-Q409 PolarHBondContact O-N 3.14Å; L407-F410 WeakPolarHBondContact O-CB 3.5Å; L407-F410 PolarHBondContact O-N 3.22Å; L407-R446 PolarHBondContact O-NH2 3.26Å; L407-L450 HydrophobicContact CD2-CD1 4.24Å; L407-H454 WeakPolarHBondContact CD2-CE1 3.23Å; L407-H454 WeakPolarHBondContact CD2-NE2 3.39Å; L407-L457 HydrophobicContact CD1-CD1 4.34Å; L407-L465 HydrophobicContact CD1-CB 3.57Å; L407-I466 HydrophobicContact CD1-CG1 4.39Å; L407-I466 HydrophobicContact CD2-CG1 4.13Å; L407-E469 HydrophobicContact CB-CB 4.32Å; L407-E469 HydrophobicContact CB-CG 3.98Å; L407-T593 HydrophobicContact CD1-CG2 4.35Å
408S96.1Very high85.4Confident0 Ų028.9 Ų28.90%017%0.165CC..G310 helixtrans-63.4-25.3177.176.50000112.6A402 S405 E406 L475A402-S408 WeakPolarHBondContact O-CB 3.36Å; A402-S408 PolarHBondContact O-OG 3.15Å; S405-S408 WeakPolarHBondContact O-CB 3.33Å; S405-S408 PolarHBondContact O-N 3.12Å; S405-S408 VanDerWaalsContact O-N 3.07Å; S405-S408 PolarHBondContact O-OG 2.83Å; E406-S408 VanDerWaalsContact C-N 3.32Å; E406-S408 PolarHBondContact O-N 3.05Å; S408-L475 WeakPolarHBondContact O-CD1 3.43Å
409Q95.1Very high83Confident20 Ų2033 Ų339%0.09318%0.181CC..G310 helixtrans-93.3-7.2-179-58.5-55.7-56.100113.5N365 F403 S405 E406 L407 N411 R512N365-Q409 PolarHBondContact OD1-OE1 3.42Å; F403-Q409 PolarHBondContact O-NE2 2.88Å; S405-Q409 WeakPolarHBondContact O-CG 3.31Å; S405-Q409 PolarHBondContact O-N 2.95Å; E406-Q409 PolarHBondContact O-N 2.86Å; L407-Q409 PolarHBondContact O-N 3.14Å; Q409-N411 PolarHBondContact O-N 3.2Å; Q409-R512 VanDerWaalsContact CG-CD 3.49Å
410F93.4Very high80.3Confident41 Ų4139.4 Ų39.418%0.1822%0.215CC..  trans-63107.5-176.5-176.6-93.1000110.6E406 L407 P412 R446 Q449 L450 H454E406-F410 PolarHBondContact O-N 2.83Å; L407-F410 WeakPolarHBondContact O-CB 3.5Å; L407-F410 PolarHBondContact O-N 3.22Å; F410-P412 HydrophobicContact CD1-CG 4.49Å; F410-P412 HydrophobicContact CE1-CB 4.32Å; F410-P412 HydrophobicContact CE1-CG 3.7Å; F410-P412 HydrophobicContact CZ-CB 4.13Å; F410-P412 HydrophobicContact CZ-CG 3.99Å; F410-R446 HydrophobicContact CD1-CG 4.29Å; F410-R446 PolarHBondContact O-NE 3.39Å; F410-Q449 HydrophobicContact CE1-CB 3.91Å; F410-Q449 HydrophobicContact CZ-CB 3.99Å; F410-L450 HydrophobicContact CB-CD1 3.95Å; F410-L450 HydrophobicContact CD1-CB 3.67Å; F410-L450 HydrophobicContact CD1-CD1 3.79Å; F410-L450 HydrophobicContact CD1-CG 4.21Å; F410-L450 HydrophobicContact CD2-CD1 4.29Å; F410-L450 VanDerWaalsContact CE1-CA 3.5Å; F410-L450 HydrophobicContact CE1-CB 3.74Å; F410-L450 HydrophobicContact CE1-CD1 4.36Å; F410-L450 VanDerWaalsContact CE1-N 3.32Å; F410-L450 HydrophobicContact CG-CB 4.5Å; F410-L450 HydrophobicContact CG-CD1 3.74Å; F410-H454 AromaticContact CD2-CD2 3.99Å
411N89.2Confident77.6Confident22 Ų2244.1 Ų44.112%0.11824%0.244CC..  trans-141.696.8179.3-175.2-21.5000108.7P366 Q409 Y414 I437 C440 L441P366-N411 HydrophobicContact CG-CB 3.93Å; Q409-N411 PolarHBondContact O-N 3.2Å; N411-Y414 VanDerWaalsContact OD1-CB 3.3Å; N411-Y414 WeakPolarHBondContact OD1-CB 3.33Å; N411-Y414 PolarHBondContact OD1-N 3.36Å; N411-Y414 VanDerWaalsContact OD1-N 3.15Å; N411-I437 PolarHBondContact ND2-O 2.7Å; N411-C440 PolarHBondContact OD1-SG 3.11Å; N411-L441 HydrophobicContact CB-CD2 4.45Å
412P80.4Confident75Confident47 Ų4748 Ų4831%0.30527%0.273SS..SBendtrans-86.8-22.6-173.631.8-34.1000114.2F410 Q449F410-P412 HydrophobicContact CD1-CG 4.49Å; F410-P412 HydrophobicContact CE1-CB 4.32Å; F410-P412 HydrophobicContact CE1-CG 3.7Å; F410-P412 HydrophobicContact CZ-CB 4.13Å; F410-P412 HydrophobicContact CZ-CG 3.99Å; P412-Q449 HydrophobicContact CG-CB 3.86Å; P412-Q449 VanDerWaalsContact CG-CD 3.47Å; P412-Q449 HydrophobicContact CG-CG 4.16Å
413T73.4Confident72.4Confident58 Ų5851.8 Ų51.836%0.35629%0.293SS..SBendtrans-85.1-21.2-176.679.80000111.9C440 E445T413-C440 PolarHBondContact OG1-SG 2.84Å; T413-E445 HydrophobicContact CG2-CB 4.48Å; T413-E445 VanDerWaalsContact CG2-CD 3.42Å; T413-E445 HydrophobicContact CG2-CG 3.96Å; T413-E445 WeakPolarHBondContact CG2-OE2 3.48Å
414Y69.3Low69.8Low32 Ų3258.3 Ų58.313%0.12533%0.328CS..  trans-94.997.8176.2-169.2-94000110.8N411 V433 K436 I437N411-Y414 VanDerWaalsContact OD1-CB 3.3Å; N411-Y414 WeakPolarHBondContact OD1-CB 3.33Å; N411-Y414 PolarHBondContact OD1-N 3.36Å; N411-Y414 VanDerWaalsContact OD1-N 3.15Å; Y414-V433 VanDerWaalsContact OH-CG1 3.23Å; Y414-V433 WeakPolarHBondContact OH-CG1 3.34Å; Y414-K436 HydrophobicContact CE2-CD 4.46Å; Y414-I437 HydrophobicContact CD1-CD1 4.06Å; Y414-I437 HydrophobicContact CD1-CG1 3.8Å; Y414-I437 HydrophobicContact CD2-CG1 3.7Å; Y414-I437 HydrophobicContact CE1-CD1 3.64Å; Y414-I437 HydrophobicContact CE1-CG1 3.79Å; Y414-I437 HydrophobicContact CE2-CD1 4.2Å; Y414-I437 HydrophobicContact CE2-CG1 3.7Å; Y414-I437 HydrophobicContact CG-CD1 4.5Å; Y414-I437 HydrophobicContact CG-CG1 3.75Å
415S62.4Low67.6Low44 Ų4464.9 Ų64.931%0.30836%0.362SS..  trans-81.6127.1165.5-179.10000109.3T417 D418S415-T417 PolarHBondContact O-N 2.66Å; S415-T417 PolarHBondContact OG-N 2.68Å; S415-T417 PolarHBondContact OG-OG1 2.92Å; S415-D418 PolarHBondContact O-N 3.16Å
416P57.6Low65.6Low61 Ų6170.3 Ų70.340%0.39639%0.392SS..THydrogen-bonded Turntrans-59.8-14.3174.4-21.631.6000114
417T53.3Low64.1Low96 Ų9674 Ų7459%0.58941%0.413SS*.THydrogen-bonded Turntrans-81.3-24.6179-170000112.1S415 Q419S415-T417 PolarHBondContact O-N 2.66Å; S415-T417 PolarHBondContact OG-N 2.68Å; S415-T417 PolarHBondContact OG-OG1 2.92Å; T417-Q419 PolarHBondContact O-N 2.96Å
418D51.6Low62.9Low94 Ų9480 Ų8050%0.50345%0.445SS..THydrogen-bonded Turntrans-73.5101172.8-70-28.6000107.7S415S415-D418 PolarHBondContact O-N 3.16Å
419Q47.3Very low61.9Low109 Ų10983.6 Ų83.651%0.50946%0.461SS..THydrogen-bonded Turntrans89.763.7-179.2-49.4177.48.800115T417 V421T417-Q419 PolarHBondContact O-N 2.96Å; Q419-V421 HydrophobicContact CB-CG2 4.39Å; Q419-V421 PolarHBondContact O-N 3.12Å
420L40.9Very low61.2Low136 Ų13683.8 Ų83.871%0.71247%0.467SS*.  trans-66.833.5149.2-101.3159000112.8S422L420-S422 PolarHBondContact O-N 2.81Å; L420-S422 VanDerWaalsContact O-N 3.14Å
421V42.4Very low60.8Low98 Ų9886.3 Ų86.359%0.59448%0.479SS*.  trans-74.3111.8172.1-175.70000106.5Q419 I423Q419-V421 HydrophobicContact CB-CG2 4.39Å; Q419-V421 PolarHBondContact O-N 3.12Å; V421-I423 PolarHBondContact O-N 3.32Å
422S42.7Very low60.6Low106 Ų10687.8 Ų87.874%0.74149%0.494SS*.  trans-39.4126.5175.6470000111.9L420 D424L420-S422 PolarHBondContact O-N 2.81Å; L420-S422 VanDerWaalsContact O-N 3.14Å; S422-D424 PolarHBondContact O-N 3.27Å; S422-D424 VanDerWaalsContact O-N 3.12Å
423I43.6Very low60.9Low79 Ų7986.4 Ų86.441%0.40549%0.485SS..  trans-66.3105.4177.4-59.5167.7000108.4P360 V421 N425P360-I423 HydrophobicContact CB-CD1 3.92Å; P360-I423 HydrophobicContact CG-CD1 4.35Å; V421-I423 PolarHBondContact O-N 3.32Å; I423-N425 VanDerWaalsContact CG2-OD1 3.25Å; I423-N425 WeakPolarHBondContact CG2-OD1 3.3Å
424D43.8Very low61.7Low137 Ų13783.7 Ų83.773%0.73347%0.468SS*.  trans-83.9127.3137.3-77.1-28.7000106S422 N426S422-D424 PolarHBondContact O-N 3.27Å; S422-D424 VanDerWaalsContact O-N 3.12Å; D424-N426 PolarHBondContact O-N 3.21Å
425N49.2Very low62.7Low137 Ų13785.5 Ų85.573%0.73348%0.48SS*.  trans-63.265.7-175-74.6-32.3000113.2I423I423-N425 VanDerWaalsContact CG2-OD1 3.25Å; I423-N425 WeakPolarHBondContact CG2-OD1 3.3Å
426N55.4Low64.1Low115 Ų11588 Ų8862%0.61549%0.486SS*.  trans-94.9115.2168.2-81.8-22.2000108.9D424 N428 H429D424-N426 PolarHBondContact O-N 3.21Å; N426-N428 PolarHBondContact O-N 3.46Å; N426-H429 PolarHBondContact O-N 3.04Å
427D63.4Low65.8Low121 Ų12185.1 Ų85.165%0.64747%0.467SS*.Hα-helixtrans-48.9-35.7176.8-70.4-31000112.5H429 A430 E431D427-H429 VanDerWaalsContact C-N 3.27Å; D427-H429 PolarHBondContact O-N 3Å; D427-A430 PolarHBondContact O-N 3.07Å; D427-E431 PolarHBondContact O-N 2.99Å
428N70.5Confident67.6Low128 Ų12880.9 Ų80.968%0.68444%0.44SS*.Hα-helixtrans-58-35.1176.8-66.9-21.7000113.2N426 A432N426-N428 PolarHBondContact O-N 3.46Å; N428-A432 WeakPolarHBondContact O-CB 3.34Å; N428-A432 PolarHBondContact O-N 3.25Å; N428-A432 VanDerWaalsContact O-N 3.08Å
429H75.9Confident69.6Low74 Ų7483 Ų8334%0.34345%0.447SS..Hα-helixtrans-75.2-42.4179.8-173.752.8000111.3N426 D427 E431 A432 V433N426-H429 PolarHBondContact O-N 3.04Å; D427-H429 VanDerWaalsContact C-N 3.27Å; D427-H429 PolarHBondContact O-N 3Å; H429-E431 VanDerWaalsContact C-N 3.32Å; H429-E431 PolarHBondContact O-N 3.23Å; H429-A432 PolarHBondContact O-N 2.75Å; H429-V433 VanDerWaalsContact O-CG2 3.3Å; H429-V433 WeakPolarHBondContact O-CG2 3.01Å; H429-V433 PolarHBondContact O-N 3.35Å
430A80.7Confident71.8Confident25 Ų2578.2 Ų78.221%0.20743%0.426CS..Hα-helixtrans-63.4-39.4177.600000111.9I363 Q372 D427 S434I363-A430 HydrophobicContact CD1-CB 3.71Å; I363-A430 VanDerWaalsContact CD1-O 3.22Å; I363-A430 WeakPolarHBondContact CD1-O 2.95Å; Q372-A430 VanDerWaalsContact NE2-CB 3.33Å; D427-A430 PolarHBondContact O-N 3.07Å; A430-S434 WeakPolarHBondContact O-CB 3.2Å; A430-S434 PolarHBondContact O-N 2.66Å; A430-S434 PolarHBondContact O-OG 2.95Å
431E83.9Confident74.2Confident94 Ų9471.9 Ų71.944%0.43939%0.393SS..Hα-helixtrans-63-48.9172.2-173.9165.3-153.100111.5D427 H429 V433 S434 D435D427-E431 PolarHBondContact O-N 2.99Å; H429-E431 VanDerWaalsContact C-N 3.32Å; H429-E431 PolarHBondContact O-N 3.23Å; E431-V433 VanDerWaalsContact C-N 3.33Å; E431-V433 PolarHBondContact O-N 3.22Å; E431-S434 WeakPolarHBondContact O-CB 3.13Å; E431-S434 PolarHBondContact O-N 3.49Å; E431-S434 VanDerWaalsContact O-N 3.1Å; E431-D435 PolarHBondContact O-N 3.22Å
432A86Confident76.6Confident53 Ų5373.8 Ų73.844%0.43840%0.395SS..Hα-helixtrans-59.9-39.5178.300000113.2N428 H429 D435 K436N428-A432 WeakPolarHBondContact O-CB 3.34Å; N428-A432 PolarHBondContact O-N 3.25Å; N428-A432 VanDerWaalsContact O-N 3.08Å; H429-A432 PolarHBondContact O-N 2.75Å; A432-D435 PolarHBondContact O-N 3.06Å; A432-K436 WeakPolarHBondContact O-CB 3.4Å; A432-K436 PolarHBondContact O-N 2.92Å
433V86.3Confident79Confident18 Ų1870.3 Ų70.311%0.10937%0.37CS..Hα-helixtrans-64.6-43.9175170.40000110.8I363 Y414 H429 E431 K436 I437I363-V433 HydrophobicContact CB-CG1 3.99Å; I363-V433 HydrophobicContact CG2-CG1 3.86Å; Y414-V433 VanDerWaalsContact OH-CG1 3.23Å; Y414-V433 WeakPolarHBondContact OH-CG1 3.34Å; H429-V433 VanDerWaalsContact O-CG2 3.3Å; H429-V433 WeakPolarHBondContact O-CG2 3.01Å; H429-V433 PolarHBondContact O-N 3.35Å; E431-V433 VanDerWaalsContact C-N 3.33Å; E431-V433 PolarHBondContact O-N 3.22Å; V433-K436 PolarHBondContact O-N 3.22Å; V433-I437 HydrophobicContact CG1-CD1 4.06Å; V433-I437 WeakPolarHBondContact O-CG1 3.35Å; V433-I437 PolarHBondContact O-N 2.95Å
434S89.8Confident81.2Confident0 Ų071.9 Ų71.90%038%0.384CS..Hα-helixtrans-62.6-44.1177.3-60.60000111.8I363 Q372 A430 E431 K436 I437 L438I363-S434 WeakPolarHBondContact CD1-OG 3.23Å; Q372-S434 WeakPolarHBondContact CB-OG 3.48Å; Q372-S434 VanDerWaalsContact CG-OG 3.29Å; Q372-S434 WeakPolarHBondContact CG-OG 3.49Å; A430-S434 WeakPolarHBondContact O-CB 3.2Å; A430-S434 PolarHBondContact O-N 2.66Å; A430-S434 PolarHBondContact O-OG 2.95Å; E431-S434 WeakPolarHBondContact O-CB 3.13Å; E431-S434 PolarHBondContact O-N 3.49Å; E431-S434 VanDerWaalsContact O-N 3.1Å; S434-K436 VanDerWaalsContact C-N 3.35Å; S434-K436 PolarHBondContact O-N 3.02Å; S434-I437 PolarHBondContact O-N 3.01Å; S434-L438 VanDerWaalsContact O-CG 3.26Å; S434-L438 WeakPolarHBondContact O-CG 2.9Å; S434-L438 PolarHBondContact O-N 3.29Å
435D90.6Very high83.5Confident70 Ų7070.3 Ų70.337%0.37437%0.372SS..Hα-helixtrans-59.1-46.1176.5-75.5-22000111.4K373 E431 A432 I437 L438 E439K373-D435 WeakPolarHBondContact CE-OD1 3.45Å; K373-D435 IonicContact NZ-OD1 2.63Å; K373-D435 PolarHBondContact NZ-OD1 3.03Å; E431-D435 PolarHBondContact O-N 3.22Å; A432-D435 PolarHBondContact O-N 3.06Å; D435-I437 VanDerWaalsContact C-N 3.35Å; D435-I437 PolarHBondContact O-N 2.91Å; D435-L438 PolarHBondContact O-N 3.25Å; D435-E439 WeakPolarHBondContact O-CB 3.44Å; D435-E439 PolarHBondContact O-N 3.5Å
436K90.8Very high85.7Confident98 Ų9863.9 Ų63.943%0.42634%0.337SS..Hα-helixtrans-60.9-41.7177.7-170.9179.7-179.5-171.70112.6Y414 A432 V433 S434 C440Y414-K436 HydrophobicContact CE2-CD 4.46Å; A432-K436 WeakPolarHBondContact O-CB 3.4Å; A432-K436 PolarHBondContact O-N 2.92Å; V433-K436 PolarHBondContact O-N 3.22Å; S434-K436 VanDerWaalsContact C-N 3.35Å; S434-K436 PolarHBondContact O-N 3.02Å; K436-C440 PolarHBondContact O-N 2.98Å
437I92.9Very high87.5Confident0 Ų064.6 Ų64.60%033%0.331CS..Hα-helixtrans-63.9-45176.9-71.3169.6000110.7I363 P366 A369 N411 Y414 V433 S434 D435 C440 L441I363-I437 HydrophobicContact CG2-CD1 3.61Å; P366-I437 HydrophobicContact CB-CG2 4.38Å; P366-I437 HydrophobicContact CG-CG2 4.11Å; A369-I437 HydrophobicContact CB-CB 3.9Å; A369-I437 HydrophobicContact CB-CD1 4.2Å; A369-I437 HydrophobicContact CB-CG2 3.71Å; N411-I437 PolarHBondContact ND2-O 2.7Å; Y414-I437 HydrophobicContact CD1-CD1 4.06Å; Y414-I437 HydrophobicContact CD1-CG1 3.8Å; Y414-I437 HydrophobicContact CD2-CG1 3.7Å; Y414-I437 HydrophobicContact CE1-CD1 3.64Å; Y414-I437 HydrophobicContact CE1-CG1 3.79Å; Y414-I437 HydrophobicContact CE2-CD1 4.2Å; Y414-I437 HydrophobicContact CE2-CG1 3.7Å; Y414-I437 HydrophobicContact CG-CD1 4.5Å; Y414-I437 HydrophobicContact CG-CG1 3.75Å; V433-I437 HydrophobicContact CG1-CD1 4.06Å; V433-I437 WeakPolarHBondContact O-CG1 3.35Å; V433-I437 PolarHBondContact O-N 2.95Å; S434-I437 PolarHBondContact O-N 3.01Å; D435-I437 VanDerWaalsContact C-N 3.35Å; D435-I437 PolarHBondContact O-N 2.91Å; I437-C440 WeakPolarHBondContact O-CB 3.43Å; I437-C440 PolarHBondContact O-N 2.71Å; I437-L441 PolarHBondContact O-N 3.07Å; I437-L441 VanDerWaalsContact O-N 3.1Å
438L93Very high88.8Confident7 Ų761.9 Ų61.94%0.03732%0.319CS..Hα-helixtrans-70.8-35.8-178.9-65.5167.8000112.1A369 V370 K373 S434 D435 C440 L441 Q442 L476 D479A369-L438 HydrophobicContact CB-CD2 4.37Å; A369-L438 HydrophobicContact CB-CG 4.13Å; V370-L438 HydrophobicContact CG2-CD2 3.96Å; K373-L438 HydrophobicContact CD-CD1 3.62Å; S434-L438 VanDerWaalsContact O-CG 3.26Å; S434-L438 WeakPolarHBondContact O-CG 2.9Å; S434-L438 PolarHBondContact O-N 3.29Å; D435-L438 PolarHBondContact O-N 3.25Å; L438-C440 VanDerWaalsContact C-N 3.31Å; L438-C440 PolarHBondContact O-N 3.27Å; L438-L441 HydrophobicContact CD2-CD1 3.96Å; L438-L441 WeakPolarHBondContact O-CB 3.42Å; L438-L441 PolarHBondContact O-N 3.25Å; L438-L441 VanDerWaalsContact O-N 3.17Å; L438-Q442 PolarHBondContact O-N 2.98Å; L438-L476 HydrophobicContact CB-CD2 4.08Å; L438-L476 HydrophobicContact CD2-CD2 3.93Å; L438-D479 HydrophobicContact CD2-CB 4.5Å
439E92.4Very high89.8Confident138 Ų13857.9 Ų57.965%0.64530%0.297SS*.Hα-helixtrans-59.9-43.1170.8-174.5-178.3-17600110.6D435 L441 Q442 S443D435-E439 WeakPolarHBondContact O-CB 3.44Å; D435-E439 PolarHBondContact O-N 3.5Å; E439-L441 VanDerWaalsContact C-N 3.33Å; E439-L441 PolarHBondContact O-N 2.88Å; E439-Q442 WeakPolarHBondContact O-CB 3.4Å; E439-Q442 PolarHBondContact O-N 2.88Å; E439-Q442 VanDerWaalsContact O-N 3.1Å; E439-S443 PolarHBondContact O-N 3.46Å; E439-S443 VanDerWaalsContact O-N 3.11Å
440C92.8Very high90.6Very high9 Ų954.4 Ų54.46%0.06128%0.281CS..Hα-helixtrans-61.2-40.7173.8177.50000112.3N411 T413 K436 I437 L438 Q442 S443 R446N411-C440 PolarHBondContact OD1-SG 3.11Å; T413-C440 PolarHBondContact OG1-SG 2.84Å; K436-C440 PolarHBondContact O-N 2.98Å; I437-C440 WeakPolarHBondContact O-CB 3.43Å; I437-C440 PolarHBondContact O-N 2.71Å; L438-C440 VanDerWaalsContact C-N 3.31Å; L438-C440 PolarHBondContact O-N 3.27Å; C440-Q442 PolarHBondContact O-N 3.34Å; C440-S443 VanDerWaalsContact O-CB 3.3Å; C440-S443 WeakPolarHBondContact O-CB 3.33Å; C440-S443 PolarHBondContact O-N 2.97Å; C440-S443 PolarHBondContact O-OG 3.47Å; C440-R446 WeakPolarHBondContact O-CB 3.34Å
441L93.3Very high91.1Very high3 Ų357 Ų572%0.01629%0.29CS..Hα-helixtrans-60.4-29.6177.4-68176.3000112.4P366 N411 I437 L438 E439 P473 L475 L476P366-L441 HydrophobicContact CB-CD1 3.78Å; P366-L441 HydrophobicContact CB-CD2 4.17Å; P366-L441 HydrophobicContact CB-CG 4.41Å; P366-L441 HydrophobicContact CG-CD1 4.22Å; P366-L441 HydrophobicContact CG-CD2 3.8Å; P366-L441 HydrophobicContact CG-CG 4.31Å; N411-L441 HydrophobicContact CB-CD2 4.45Å; I437-L441 PolarHBondContact O-N 3.07Å; I437-L441 VanDerWaalsContact O-N 3.1Å; L438-L441 HydrophobicContact CD2-CD1 3.96Å; L438-L441 WeakPolarHBondContact O-CB 3.42Å; L438-L441 PolarHBondContact O-N 3.25Å; L438-L441 VanDerWaalsContact O-N 3.17Å; E439-L441 VanDerWaalsContact C-N 3.33Å; E439-L441 PolarHBondContact O-N 2.88Å; L441-P473 WeakPolarHBondContact O-CG 3.4Å; L441-L475 HydrophobicContact CD1-CB 4.22Å; L441-L476 HydrophobicContact CB-CD1 4.12Å; L441-L476 HydrophobicContact CB-CD2 3.99Å; L441-L476 HydrophobicContact CB-CG 4.01Å; L441-L476 HydrophobicContact CD1-CD2 4.25Å; L441-L476 HydrophobicContact CD1-CG 4.43Å
442Q91.5Very high91.2Very high138 Ų13858.8 Ų58.865%0.64530%0.302SS*.Hα-helixtrans-80.9-16175.1-69.7179.19.300113.5L438 E439 C440 L476L438-Q442 PolarHBondContact O-N 2.98Å; E439-Q442 WeakPolarHBondContact O-CB 3.4Å; E439-Q442 PolarHBondContact O-N 2.88Å; E439-Q442 VanDerWaalsContact O-N 3.1Å; C440-Q442 PolarHBondContact O-N 3.34Å; Q442-L476 HydrophobicContact CB-CD1 4.27Å; Q442-L476 HydrophobicContact CG-CD1 3.18Å; Q442-L476 HydrophobicContact CG-CD2 3.94Å; Q442-L476 HydrophobicContact CG-CG 4.17Å
443S92.5Very high91.1Very high32 Ų3261.4 Ų61.422%0.22431%0.309CS..  trans-66142.7-171.7730000112.8E439 C440 E445 R446 R447E439-S443 PolarHBondContact O-N 3.46Å; E439-S443 VanDerWaalsContact O-N 3.11Å; C440-S443 VanDerWaalsContact O-CB 3.3Å; C440-S443 WeakPolarHBondContact O-CB 3.33Å; C440-S443 PolarHBondContact O-N 2.97Å; C440-S443 PolarHBondContact O-OG 3.47Å; S443-E445 PolarHBondContact O-N 2.83Å; S443-R446 PolarHBondContact O-N 3.18Å; S443-R446 VanDerWaalsContact OG-CB 3.28Å; S443-R446 WeakPolarHBondContact OG-CB 3.4Å; S443-R446 PolarHBondContact OG-N 2.85Å; S443-R447 PolarHBondContact O-N 3.14Å
444V91.7Very high90.9Very high113 Ų11361.2 Ų61.269%0.68531%0.307SS*.Hα-helixtrans-58.2-34.8170.6179.40000110.4R447 T448V444-R447 WeakPolarHBondContact O-CB 3.08Å; V444-R447 PolarHBondContact O-N 2.99Å; V444-T448 WeakPolarHBondContact O-CB 3.5Å; V444-T448 PolarHBondContact O-N 3.12Å; V444-T448 PolarHBondContact O-OG1 2.78Å; V444-T448 VanDerWaalsContact O-OG1 3.1Å
445E91.9Very high90.4Very high104 Ų10464.4 Ų64.449%0.48633%0.328SS..Hα-helixtrans-60.9-51.6176.6-176.1175.6-178.500111.9T413 S443 R447 T448 Q449T413-E445 HydrophobicContact CG2-CB 4.48Å; T413-E445 VanDerWaalsContact CG2-CD 3.42Å; T413-E445 HydrophobicContact CG2-CG 3.96Å; T413-E445 WeakPolarHBondContact CG2-OE2 3.48Å; S443-E445 PolarHBondContact O-N 2.83Å; E445-R447 VanDerWaalsContact C-N 3.26Å; E445-R447 PolarHBondContact O-N 3.26Å; E445-T448 PolarHBondContact O-N 3.2Å; E445-Q449 HydrophobicContact CG-CG 4.26Å; E445-Q449 WeakPolarHBondContact O-CB 3.2Å; E445-Q449 WeakPolarHBondContact O-CG 3.19Å; E445-Q449 PolarHBondContact O-N 2.82Å; E445-Q449 PolarHBondContact OE1-NE2 3.2Å
446R93.6Very high89.7Confident1 Ų164.3 Ų64.30%0.00433%0.331CS..Hα-helixtrans-56.8-43.4176.7-179.4-89.1-179-179.85.4111.1L407 F410 C440 S443 Q449 L450 E469L407-R446 PolarHBondContact O-NH2 3.26Å; F410-R446 HydrophobicContact CD1-CG 4.29Å; F410-R446 PolarHBondContact O-NE 3.39Å; C440-R446 WeakPolarHBondContact O-CB 3.34Å; S443-R446 PolarHBondContact O-N 3.18Å; S443-R446 VanDerWaalsContact OG-CB 3.28Å; S443-R446 WeakPolarHBondContact OG-CB 3.4Å; S443-R446 PolarHBondContact OG-N 2.85Å; R446-Q449 PolarHBondContact O-N 3.01Å; R446-L450 VanDerWaalsContact O-CB 3.31Å; R446-L450 WeakPolarHBondContact O-CB 3.38Å; R446-L450 PolarHBondContact O-N 3.3Å; R446-E469 IonicContact CZ-OE1 3.76Å; R446-E469 PolarHBondContact NH1-O 3.42Å; R446-E469 IonicContact NH1-OE1 3.88Å; R446-E469 IonicContact NH2-OE1 2.83Å; R446-E469 PolarHBondContact NH2-OE1 3.27Å
447R93.3Very high89.3Confident130 Ų13059.8 Ų59.849%0.49131%0.311SS..Hα-helixtrans-58.7-51.1176.2177.2178.2178.9172.52.9111.6S443 V444 E445 Q449 L450 L451 A470S443-R447 PolarHBondContact O-N 3.14Å; V444-R447 WeakPolarHBondContact O-CB 3.08Å; V444-R447 PolarHBondContact O-N 2.99Å; E445-R447 VanDerWaalsContact C-N 3.26Å; E445-R447 PolarHBondContact O-N 3.26Å; R447-Q449 PolarHBondContact O-N 3.26Å; R447-L450 PolarHBondContact O-N 2.7Å; R447-L451 HydrophobicContact CG-CD1 4.19Å; R447-L451 WeakPolarHBondContact O-CG 3.38Å; R447-L451 PolarHBondContact O-N 3.12Å; R447-L451 VanDerWaalsContact O-N 3.15Å; R447-A470 HydrophobicContact CG-CB 4.1Å; R447-A470 WeakPolarHBondContact CG-O 3.37Å
448T92.2Very high88.6Confident64 Ų6464.9 Ų64.939%0.39333%0.334SS..Hα-helixtrans-61.8-44.1179.8-65.20000111.3V444 E445 L451 L452V444-T448 WeakPolarHBondContact O-CB 3.5Å; V444-T448 PolarHBondContact O-N 3.12Å; V444-T448 PolarHBondContact O-OG1 2.78Å; V444-T448 VanDerWaalsContact O-OG1 3.1Å; E445-T448 PolarHBondContact O-N 3.2Å; T448-L451 PolarHBondContact O-N 2.75Å; T448-L452 HydrophobicContact CG2-CD1 3.6Å; T448-L452 HydrophobicContact CG2-CG 4.33Å; T448-L452 WeakPolarHBondContact O-CB 3.49Å; T448-L452 WeakPolarHBondContact O-CG 3.23Å; T448-L452 PolarHBondContact O-N 3.4Å
449Q92Very high87.4Confident45 Ų4568 Ų6821%0.2135%0.354CS..Hα-helixtrans-68.6-35.1179.2-68.8-158.831.400112.8F410 P412 E445 R446 R447 L451 N453 H454F410-Q449 HydrophobicContact CE1-CB 3.91Å; F410-Q449 HydrophobicContact CZ-CB 3.99Å; P412-Q449 HydrophobicContact CG-CB 3.86Å; P412-Q449 VanDerWaalsContact CG-CD 3.47Å; P412-Q449 HydrophobicContact CG-CG 4.16Å; E445-Q449 HydrophobicContact CG-CG 4.26Å; E445-Q449 WeakPolarHBondContact O-CB 3.2Å; E445-Q449 WeakPolarHBondContact O-CG 3.19Å; E445-Q449 PolarHBondContact O-N 2.82Å; E445-Q449 PolarHBondContact OE1-NE2 3.2Å; R446-Q449 PolarHBondContact O-N 3.01Å; R447-Q449 PolarHBondContact O-N 3.26Å; Q449-L451 VanDerWaalsContact C-N 3.31Å; Q449-L451 PolarHBondContact O-N 2.64Å; Q449-N453 WeakPolarHBondContact O-CA 3.49Å; Q449-N453 VanDerWaalsContact O-CB 3.27Å; Q449-N453 WeakPolarHBondContact O-CB 3.36Å; Q449-N453 PolarHBondContact O-N 3.47Å; Q449-H454 PolarHBondContact O-N 3.27Å
450L91.7Very high86.5Confident1 Ų165.1 Ų65.11%0.00536%0.361CS..Hα-helixtrans-64.7-38.5175.2-17957.6000111.2L407 F410 R446 R447 H454 I466 E469 A470L407-L450 HydrophobicContact CD2-CD1 4.24Å; F410-L450 HydrophobicContact CB-CD1 3.95Å; F410-L450 HydrophobicContact CD1-CB 3.67Å; F410-L450 HydrophobicContact CD1-CD1 3.79Å; F410-L450 HydrophobicContact CD1-CG 4.21Å; F410-L450 HydrophobicContact CD2-CD1 4.29Å; F410-L450 VanDerWaalsContact CE1-CA 3.5Å; F410-L450 HydrophobicContact CE1-CB 3.74Å; F410-L450 HydrophobicContact CE1-CD1 4.36Å; F410-L450 VanDerWaalsContact CE1-N 3.32Å; F410-L450 HydrophobicContact CG-CB 4.5Å; F410-L450 HydrophobicContact CG-CD1 3.74Å; R446-L450 VanDerWaalsContact O-CB 3.31Å; R446-L450 WeakPolarHBondContact O-CB 3.38Å; R446-L450 PolarHBondContact O-N 3.3Å; R447-L450 PolarHBondContact O-N 2.7Å; L450-H454 HydrophobicContact CD1-CB 3.95Å; L450-H454 WeakPolarHBondContact O-CB 3.23Å; L450-I466 HydrophobicContact CD1-CG2 4.16Å; L450-I466 HydrophobicContact CG-CG2 3.88Å; L450-I466 VanDerWaalsContact O-CG2 3.28Å; L450-I466 WeakPolarHBondContact O-CG2 3.33Å; L450-E469 HydrophobicContact CD2-CB 4.16Å; L450-E469 HydrophobicContact CD2-CG 3.92Å; L450-A470 HydrophobicContact CD2-CB 3.98Å; L450-A470 HydrophobicContact CG-CB 4.43Å
451L90.5Very high85.8Confident79 Ų7971 Ų7141%0.41439%0.386SS..Hα-helixtrans-75.2-35.9178.8-68.2170000113.3R447 T448 Q449 I466 E467 A470R447-L451 HydrophobicContact CG-CD1 4.19Å; R447-L451 WeakPolarHBondContact O-CG 3.38Å; R447-L451 PolarHBondContact O-N 3.12Å; R447-L451 VanDerWaalsContact O-N 3.15Å; T448-L451 PolarHBondContact O-N 2.75Å; Q449-L451 VanDerWaalsContact C-N 3.31Å; Q449-L451 PolarHBondContact O-N 2.64Å; L451-I466 HydrophobicContact CD2-CG2 4.26Å; L451-E467 HydrophobicContact CD2-CG 4.21Å; L451-A470 HydrophobicContact CD1-CB 4.23Å; L451-A470 HydrophobicContact CD2-CB 3.83Å; L451-A470 HydrophobicContact CG-CB 3.83Å
452L87.7Confident85.3Confident131 Ų13174.1 Ų74.169%0.68640%0.399SS*.Hα-helixtrans-97.3-37.2-173.5-65.2179.5000114.2T448T448-L452 HydrophobicContact CG2-CD1 3.6Å; T448-L452 HydrophobicContact CG2-CG 4.33Å; T448-L452 WeakPolarHBondContact O-CB 3.49Å; T448-L452 WeakPolarHBondContact O-CG 3.23Å; T448-L452 PolarHBondContact O-N 3.4Å
453N82.6Confident84.8Confident108 Ų10872.4 Ų72.458%0.57839%0.391SS*.THydrogen-bonded Turntrans-109.2-16.4-166.4-59.7-13.3000113.3Q449Q449-N453 WeakPolarHBondContact O-CA 3.49Å; Q449-N453 VanDerWaalsContact O-CB 3.27Å; Q449-N453 WeakPolarHBondContact O-CB 3.36Å; Q449-N453 PolarHBondContact O-N 3.47Å
454H82.5Confident84.7Confident14 Ų1477 Ų777%0.06540%0.404CS..SBendtrans-68.9132.9176.6-172.5-88.3000109.9E406 L407 F410 Q449 L450 R598E406-H454 IonicContact OE1-NE2 3.43Å; E406-H454 PolarHBondContact OE1-NE2 3.21Å; L407-H454 WeakPolarHBondContact CD2-CE1 3.23Å; L407-H454 WeakPolarHBondContact CD2-NE2 3.39Å; F410-H454 AromaticContact CD2-CD2 3.99Å; Q449-H454 PolarHBondContact O-N 3.27Å; L450-H454 HydrophobicContact CD1-CB 3.95Å; L450-H454 WeakPolarHBondContact O-CB 3.23Å; H454-R598 PolarHBondContact CE1-NH1 2.77Å
455P79.7Confident84.7Confident68 Ų6871.7 Ų71.744%0.44237%0.372SS..PPolyproline II helixtrans-56.2126.2179.8-22.931.4000110.4L457 R598P455-L457 PolarHBondContact O-N 3.36Å; P455-R598 PolarHBondContact O-NH1 2.94Å
456P75.4Confident84.7Confident68 Ų6867.5 Ų67.544%0.44235%0.352SS..PPolyproline II helixtrans-58.7129-174.122.8-33.8000110.2R598 D599P456-R598 WeakPolarHBondContact O-CA 3.48Å; P456-R598 WeakPolarHBondContact O-CD 3.37Å; P456-D599 HydrophobicContact CB-CB 4.19Å; P456-D599 HydrophobicContact CG-CB 3.89Å; P456-D599 PolarHBondContact O-N 2.95Å; P456-D599 VanDerWaalsContact O-N 3.12Å
457L82.9Confident84.7Confident2 Ų272.9 Ų72.91%0.0138%0.378CS..BIsolated β-bridgetrans-72.3151.6167.2-61.1175.2000108.3L407 P455 P459 F462 I466 T593 T596L407-L457 HydrophobicContact CD1-CD1 4.34Å; P455-L457 PolarHBondContact O-N 3.36Å; L457-P459 VanDerWaalsContact O-N 3.13Å; L457-F462 HydrophobicContact CB-CB 3.92Å; L457-F462 HydrophobicContact CD1-CB 3.77Å; L457-F462 HydrophobicContact CG-CB 4.45Å; L457-I466 HydrophobicContact CD1-CD1 4.38Å; L457-I466 HydrophobicContact CD1-CG1 4.14Å; L457-I466 HydrophobicContact CG-CD1 4.21Å; L457-T593 HydrophobicContact CD1-CG2 3.93Å; L457-T593 HydrophobicContact CD2-CG2 4.47Å; L457-T596 HydrophobicContact CD2-CG2 4.08Å
458K77.5Confident84.7Confident108 Ų10867.9 Ų67.947%0.4736%0.363SS..  trans-43.6123179.7-178170.3-178.8165.20111.9K461 P597K458-K461 PolarHBondContact O-N 3.14Å; K458-P597 WeakPolarHBondContact CB-O 3.38Å; K458-P597 PolarHBondContact N-O 3.26Å; K458-P597 VanDerWaalsContact N-O 3.07Å
459P69Low84.9Confident72 Ų7264.8 Ų64.847%0.46834%0.344SS..THydrogen-bonded Turntrans-52.9143-179.1-28.734.1000112.7L457 K461L457-P459 VanDerWaalsContact O-N 3.13Å; P459-K461 VanDerWaalsContact C-N 3.29Å; P459-K461 PolarHBondContact O-N 2.88Å
460G72.5Confident84.9Confident77 Ų7763 Ų6379%0.79434%0.336SS*.THydrogen-bonded Turntrans77.6-6.7174.600000117
461K77.5Confident84.9Confident134 Ų13469.6 Ų69.658%0.58337%0.367SS*.THydrogen-bonded Turntrans-111.2-47.2175-74.3-166.6176-1710114.3K458 P459 W464K458-K461 PolarHBondContact O-N 3.14Å; P459-K461 VanDerWaalsContact C-N 3.29Å; P459-K461 PolarHBondContact O-N 2.88Å; K461-W464 PolarHBondContact O-NE1 2.91Å
462F82.3Confident85Confident68 Ų6868.4 Ų68.430%0.29836%0.363SS..THydrogen-bonded Turntrans-131.3-3.2-167.4-60.3-64.7000114.1L457 W464 L465 T596L457-F462 HydrophobicContact CB-CB 3.92Å; L457-F462 HydrophobicContact CD1-CB 3.77Å; L457-F462 HydrophobicContact CG-CB 4.45Å; F462-W464 PolarHBondContact O-N 3.12Å; F462-L465 HydrophobicContact CB-CD1 4.12Å; F462-L465 HydrophobicContact CD1-CD1 3.86Å; F462-L465 HydrophobicContact CG-CD1 4.43Å; F462-L465 VanDerWaalsContact O-CB 3.25Å; F462-L465 WeakPolarHBondContact O-CB 3.4Å; F462-L465 PolarHBondContact O-N 3.24Å; F462-T596 HydrophobicContact CD2-CG2 3.5Å; F462-T596 VanDerWaalsContact CD2-CG2 3.5Å; F462-T596 HydrophobicContact CE2-CG2 3.82Å; F462-T596 HydrophobicContact CG-CG2 4.33Å
463E83Confident85.4Confident102 Ų10263 Ų6348%0.47734%0.336SS..Hα-helixtrans-54.1-41178.7-174.6172.3-163.900112.5L465 I466E463-L465 PolarHBondContact O-N 3.4Å; E463-I466 WeakPolarHBondContact O-CB 3.39Å; E463-I466 PolarHBondContact O-N 3.35Å
464W88.9Confident86Confident127 Ų12757.9 Ų57.948%0.48131%0.308SS..Hα-helixtrans-58.1-22.6176.274.1-92.5000113.9K461 F462 I466 S468K461-W464 PolarHBondContact O-NE1 2.91Å; F462-W464 PolarHBondContact O-N 3.12Å; W464-I466 VanDerWaalsContact C-N 3.35Å; W464-S468 WeakPolarHBondContact O-CB 3.33Å; W464-S468 PolarHBondContact O-N 3.37Å
465L92.7Very high86.7Confident3 Ų357.2 Ų57.22%0.01631%0.305CS..Hα-helixtrans-68.7-35.5176.7-71.9170.2000111.6L407 F462 E463 E469 A591 T593L407-L465 HydrophobicContact CD1-CB 3.57Å; F462-L465 HydrophobicContact CB-CD1 4.12Å; F462-L465 HydrophobicContact CD1-CD1 3.86Å; F462-L465 HydrophobicContact CG-CD1 4.43Å; F462-L465 VanDerWaalsContact O-CB 3.25Å; F462-L465 WeakPolarHBondContact O-CB 3.4Å; F462-L465 PolarHBondContact O-N 3.24Å; E463-L465 PolarHBondContact O-N 3.4Å; L465-E469 VanDerWaalsContact O-CB 3.26Å; L465-E469 WeakPolarHBondContact O-CB 3.43Å; L465-E469 PolarHBondContact O-N 3.17Å; L465-A591 HydrophobicContact CD1-CB 3.81Å; L465-T593 HydrophobicContact CD1-CG2 4.18Å
466I92.4Very high87.4Confident15 Ų1555.2 Ų55.28%0.07729%0.291CS..Hα-helixtrans-65.6-50.1176.9-59.2179.7000108.5L407 L450 L451 L457 E463 W464 S468 E469 A470L407-I466 HydrophobicContact CD1-CG1 4.39Å; L407-I466 HydrophobicContact CD2-CG1 4.13Å; L450-I466 HydrophobicContact CD1-CG2 4.16Å; L450-I466 HydrophobicContact CG-CG2 3.88Å; L450-I466 VanDerWaalsContact O-CG2 3.28Å; L450-I466 WeakPolarHBondContact O-CG2 3.33Å; L451-I466 HydrophobicContact CD2-CG2 4.26Å; L457-I466 HydrophobicContact CD1-CD1 4.38Å; L457-I466 HydrophobicContact CD1-CG1 4.14Å; L457-I466 HydrophobicContact CG-CD1 4.21Å; E463-I466 WeakPolarHBondContact O-CB 3.39Å; E463-I466 PolarHBondContact O-N 3.35Å; W464-I466 VanDerWaalsContact C-N 3.35Å; I466-S468 PolarHBondContact O-N 2.92Å; I466-E469 PolarHBondContact O-N 3.46Å; I466-A470 WeakPolarHBondContact O-CB 3.4Å; I466-A470 PolarHBondContact O-N 3.4Å
467E92.4Very high88.2Confident114 Ų11453.4 Ų53.453%0.53328%0.28SS..Hα-helixtrans-59.2-46.3177-64.2-180159.700111.8L451 E469 A470 E471L451-E467 HydrophobicContact CD2-CG 4.21Å; E467-E469 VanDerWaalsContact C-N 3.34Å; E467-E469 PolarHBondContact O-N 3.39Å; E467-A470 PolarHBondContact O-N 2.85Å; E467-E471 WeakPolarHBondContact O-CB 3.46Å; E467-E471 PolarHBondContact O-N 2.98Å
468S93.7Very high88.6Confident25 Ų2553.3 Ų53.318%0.17528%0.279CS..Hα-helixtrans-63.5-37.6179.4-179.10000113W464 I466 V472 R590W464-S468 WeakPolarHBondContact O-CB 3.33Å; W464-S468 PolarHBondContact O-N 3.37Å; I466-S468 PolarHBondContact O-N 2.92Å; S468-V472 PolarHBondContact O-N 3.47Å; S468-R590 PolarHBondContact O-NH2 2.99Å; S468-R590 VanDerWaalsContact O-NH2 3.16Å; S468-R590 PolarHBondContact OG-NH1 3.38Å
469E95.5Very high89.4Confident0 Ų049 Ų490%026%0.262CS..Hα-helixtrans-78.4-29.5177-179.956.5-154.600112.5L407 R446 L450 L465 I466 E467 V472 P473 V474 R590L407-E469 HydrophobicContact CB-CB 4.32Å; L407-E469 HydrophobicContact CB-CG 3.98Å; R446-E469 IonicContact CZ-OE1 3.76Å; R446-E469 PolarHBondContact NH1-O 3.42Å; R446-E469 IonicContact NH1-OE1 3.88Å; R446-E469 IonicContact NH2-OE1 2.83Å; R446-E469 PolarHBondContact NH2-OE1 3.27Å; L450-E469 HydrophobicContact CD2-CB 4.16Å; L450-E469 HydrophobicContact CD2-CG 3.92Å; L465-E469 VanDerWaalsContact O-CB 3.26Å; L465-E469 WeakPolarHBondContact O-CB 3.43Å; L465-E469 PolarHBondContact O-N 3.17Å; I466-E469 PolarHBondContact O-N 3.46Å; E467-E469 VanDerWaalsContact C-N 3.34Å; E467-E469 PolarHBondContact O-N 3.39Å; E469-V472 CarbonylContact O-C 3.54Å; E469-P473 VanDerWaalsContact OE1-CA 3.3Å; E469-P473 WeakPolarHBondContact OE1-CA 3.39Å; E469-V474 PolarHBondContact OE1-N 3.07Å; E469-V474 PolarHBondContact OE2-N 2.95Å; E469-R590 IonicContact OE2-CZ 3.19Å; E469-R590 IonicContact OE2-NE 2.7Å; E469-R590 PolarHBondContact OE2-NE 3.2Å; E469-R590 IonicContact OE2-NH2 2.88Å; E469-R590 PolarHBondContact OE2-NH2 2.96Å
470A93.4Very high90.2Very high6 Ų648.1 Ų48.15%0.0525%0.25CS..Hα-helixtrans-70.4-35.2172.700000112.1R447 L450 L451 I466 E467R447-A470 HydrophobicContact CG-CB 4.1Å; R447-A470 WeakPolarHBondContact CG-O 3.37Å; L450-A470 HydrophobicContact CD2-CB 3.98Å; L450-A470 HydrophobicContact CG-CB 4.43Å; L451-A470 HydrophobicContact CD1-CB 4.23Å; L451-A470 HydrophobicContact CD2-CB 3.83Å; L451-A470 HydrophobicContact CG-CB 3.83Å; I466-A470 WeakPolarHBondContact O-CB 3.4Å; I466-A470 PolarHBondContact O-N 3.4Å; E467-A470 PolarHBondContact O-N 2.85Å
471E91.8Very high90.8Very high141 Ų14146 Ų4666%0.65922%0.218SC*.Hα-helixtrans-76.9-47.9175.9-171.2-177.2-17400112E467E467-E471 WeakPolarHBondContact O-CB 3.46Å; E467-E471 PolarHBondContact O-N 2.98Å
472V92.1Very high91.4Very high54 Ų5439.6 Ų39.633%0.32719%0.191SC..SBendtrans-130.495.2-178.1-174.90000109.7S468 E469 V474 P588 R590S468-V472 PolarHBondContact O-N 3.47Å; E469-V472 CarbonylContact O-C 3.54Å; V472-V474 PolarHBondContact O-N 3.28Å; V472-V474 VanDerWaalsContact O-N 3.11Å; V472-P588 HydrophobicContact CB-CG 4.4Å; V472-P588 HydrophobicContact CG1-CG 4.08Å; V472-R590 PolarHBondContact O-NH2 2.83Å
473P95.6Very high91.6Very high17 Ų1739.2 Ų39.211%0.1119%0.187CC..  trans-64.9116.3176.7-18.730.4000110.3L441 E469 L475 L476 S477L441-P473 WeakPolarHBondContact O-CG 3.4Å; E469-P473 VanDerWaalsContact OE1-CA 3.3Å; E469-P473 WeakPolarHBondContact OE1-CA 3.39Å; P473-L475 VanDerWaalsContact C-N 3.27Å; P473-L475 PolarHBondContact O-N 2.98Å; P473-L476 HydrophobicContact CB-CD1 3.72Å; P473-L476 HydrophobicContact CB-CG 4.02Å; P473-L476 HydrophobicContact CG-CD1 3.74Å; P473-L476 PolarHBondContact O-N 3.44Å; P473-S477 PolarHBondContact O-N 3.4Å
474V96Very high91.7Very high0 Ų036.3 Ų36.30%019%0.185CC..Hα-helixtrans-64.3-33.9-168.469.90000112.3A402 E469 V472 L476 S477 M478 L587 R590A402-V474 HydrophobicContact CB-CG1 4.24Å; A402-V474 HydrophobicContact CB-CG2 3.97Å; E469-V474 PolarHBondContact OE1-N 3.07Å; E469-V474 PolarHBondContact OE2-N 2.95Å; V472-V474 PolarHBondContact O-N 3.28Å; V472-V474 VanDerWaalsContact O-N 3.11Å; V474-L476 VanDerWaalsContact C-N 3.32Å; V474-L476 PolarHBondContact O-N 2.91Å; V474-S477 VanDerWaalsContact O-CB 3.29Å; V474-S477 WeakPolarHBondContact O-CB 3.38Å; V474-S477 PolarHBondContact O-N 2.99Å; V474-S477 VanDerWaalsContact O-N 3.15Å; V474-M478 HydrophobicContact CG2-CE 4.29Å; V474-M478 WeakPolarHBondContact O-CG 3.48Å; V474-M478 PolarHBondContact O-N 3.35Å; V474-L587 HydrophobicContact CG2-CB 4.21Å; V474-L587 HydrophobicContact CG2-CD1 3.98Å; V474-R590 HydrophobicContact CB-CG 4.23Å; V474-R590 HydrophobicContact CG1-CG 4Å; V474-R590 HydrophobicContact CG2-CG 4.37Å
475L97Very high91.5Very high0 Ų031.8 Ų31.80%017%0.168CC..Hα-helixtrans-69.9-28.2-178.6-74.3-174.9000113.4P366 V370 F403 S408 L441 P473 S477 M478 D479P366-L475 HydrophobicContact CB-CD1 3.31Å; V370-L475 HydrophobicContact CG2-CB 3.98Å; V370-L475 HydrophobicContact CG2-CD2 4.33Å; V370-L475 WeakPolarHBondContact CG2-O 3.44Å; F403-L475 HydrophobicContact CD1-CD2 3.66Å; F403-L475 HydrophobicContact CE1-CD2 4.11Å; F403-L475 HydrophobicContact CG-CD2 4.35Å; S408-L475 WeakPolarHBondContact O-CD1 3.43Å; L441-L475 HydrophobicContact CD1-CB 4.22Å; P473-L475 VanDerWaalsContact C-N 3.27Å; P473-L475 PolarHBondContact O-N 2.98Å; L475-S477 VanDerWaalsContact C-N 3.33Å; L475-M478 HydrophobicContact CD2-SD 3.73Å; L475-M478 PolarHBondContact O-N 3.44Å; L475-D479 PolarHBondContact O-N 3.23Å
476L94.6Very high91.2Very high26 Ų2631.7 Ų31.714%0.13617%0.168CC..Hα-helixtrans-69.4-37.2171.6-64.7175.7000111.6L438 L441 Q442 P473 V474 M478 K480L438-L476 HydrophobicContact CB-CD2 4.08Å; L438-L476 HydrophobicContact CD2-CD2 3.93Å; L441-L476 HydrophobicContact CB-CD1 4.12Å; L441-L476 HydrophobicContact CB-CD2 3.99Å; L441-L476 HydrophobicContact CB-CG 4.01Å; L441-L476 HydrophobicContact CD1-CD2 4.25Å; L441-L476 HydrophobicContact CD1-CG 4.43Å; Q442-L476 HydrophobicContact CB-CD1 4.27Å; Q442-L476 HydrophobicContact CG-CD1 3.18Å; Q442-L476 HydrophobicContact CG-CD2 3.94Å; Q442-L476 HydrophobicContact CG-CG 4.17Å; P473-L476 HydrophobicContact CB-CD1 3.72Å; P473-L476 HydrophobicContact CB-CG 4.02Å; P473-L476 HydrophobicContact CG-CD1 3.74Å; P473-L476 PolarHBondContact O-N 3.44Å; V474-L476 VanDerWaalsContact C-N 3.32Å; V474-L476 PolarHBondContact O-N 2.91Å; L476-M478 VanDerWaalsContact C-N 3.31Å; L476-K480 PolarHBondContact O-N 3.17Å
477S91.3Very high91.2Very high30 Ų3031.1 Ų31.121%0.2117%0.165CC..Hα-helixtrans-62.1-45.2172-590000109.5P473 V474 L475 K480 Y481P473-S477 PolarHBondContact O-N 3.4Å; V474-S477 VanDerWaalsContact O-CB 3.29Å; V474-S477 WeakPolarHBondContact O-CB 3.38Å; V474-S477 PolarHBondContact O-N 2.99Å; V474-S477 VanDerWaalsContact O-N 3.15Å; L475-S477 VanDerWaalsContact C-N 3.33Å; S477-K480 WeakPolarHBondContact O-CB 3.48Å; S477-K480 PolarHBondContact O-N 2.83Å; S477-Y481 WeakPolarHBondContact O-CD2 3.48Å; S477-Y481 VanDerWaalsContact O-CE2 3.32Å; S477-Y481 WeakPolarHBondContact O-CE2 3.41Å
478M92.3Very high91.2Very high0 Ų025.7 Ų25.70%014%0.14CC..Hα-helixtrans-61.7-48.2176.7-72.8-176.7175.100113.2V370 A399 A402 F403 V474 L475 L476 K480 Y481 L482 L587V370-M478 HydrophobicContact CG1-CB 4.36Å; A399-M478 HydrophobicContact CB-CE 4.19Å; A399-M478 VanDerWaalsContact O-CE 3.31Å; A399-M478 WeakPolarHBondContact O-CE 3.44Å; A402-M478 HydrophobicContact CB-CE 3.49Å; A402-M478 VanDerWaalsContact CB-CE 3.49Å; F403-M478 HydrophobicContact CD1-SD 4.08Å; F403-M478 HydrophobicContact CD2-CE 4Å; F403-M478 HydrophobicContact CD2-SD 3.64Å; F403-M478 HydrophobicContact CE1-SD 4.12Å; F403-M478 HydrophobicContact CE2-CE 4.37Å; F403-M478 HydrophobicContact CE2-SD 3.67Å; F403-M478 HydrophobicContact CG-CE 4.45Å; F403-M478 HydrophobicContact CG-SD 3.88Å; F403-M478 HydrophobicContact CZ-SD 3.94Å; V474-M478 HydrophobicContact CG2-CE 4.29Å; V474-M478 WeakPolarHBondContact O-CG 3.48Å; V474-M478 PolarHBondContact O-N 3.35Å; L475-M478 HydrophobicContact CD2-SD 3.73Å; L475-M478 PolarHBondContact O-N 3.44Å; L476-M478 VanDerWaalsContact C-N 3.31Å; M478-K480 VanDerWaalsContact C-N 3.26Å; M478-K480 PolarHBondContact O-N 3.08Å; M478-Y481 PolarHBondContact O-N 3.12Å; M478-L482 HydrophobicContact CB-CD1 3.85Å; M478-L482 WeakPolarHBondContact O-CB 3.38Å; M478-L482 PolarHBondContact O-N 3.47Å; M478-L587 HydrophobicContact CE-CD1 3.33Å; M478-L587 HydrophobicContact CG-CD1 3.55Å; M478-L587 HydrophobicContact SD-CD1 4.29Å
479D92.5Very high91.2Very high19 Ų1924.5 Ų24.510%0.10213%0.132CC..Hα-helixtrans-49.2-48.5176.6170.270000111.6V370 K373 L438 L475 Y481 L482 R483V370-D479 HydrophobicContact CG1-CB 4.49Å; V370-D479 HydrophobicContact CG2-CB 4.21Å; K373-D479 WeakPolarHBondContact CD-OD1 3.25Å; K373-D479 IonicContact NZ-OD1 3.99Å; L438-D479 HydrophobicContact CD2-CB 4.5Å; L475-D479 PolarHBondContact O-N 3.23Å; D479-Y481 PolarHBondContact O-N 3.41Å; D479-Y481 VanDerWaalsContact O-N 3.12Å; D479-L482 PolarHBondContact O-N 3.12Å; D479-R483 WeakPolarHBondContact O-CB 3.07Å; D479-R483 PolarHBondContact O-N 3.08Å; D479-R483 IonicContact OD1-CZ 3.91Å; D479-R483 IonicContact OD1-NH2 3.25Å; D479-R483 PolarHBondContact OD1-NH2 2.89Å; D479-R483 IonicContact OD2-CZ 3.02Å; D479-R483 IonicContact OD2-NH2 2.6Å; D479-R483 PolarHBondContact OD2-NH2 3.04Å
480K86.7Confident91.1Very high53 Ų5324.5 Ų24.523%0.2313%0.132CC..Hα-helixtrans-53.5-37.1-180-174.7177.9178.7-1760112.9Y161 G162 L476 S477 M478Y161-K480 HydrophobicContact CD1-CG 4.22Å; G162-K480 WeakPolarHBondContact O-CE 3.29Å; G162-K480 PolarHBondContact O-NZ 2.89Å; L476-K480 PolarHBondContact O-N 3.17Å; S477-K480 WeakPolarHBondContact O-CB 3.48Å; S477-K480 PolarHBondContact O-N 2.83Å; M478-K480 VanDerWaalsContact C-N 3.26Å; M478-K480 PolarHBondContact O-N 3.08Å
481Y84.9Confident91Very high31 Ų3124.4 Ų24.412%0.12213%0.13CC..Hα-helixtrans-99.6-25.5-176.1-56.4-69.2000113.9N163 S477 M478 D479 K485 L585N163-Y481 WeakPolarHBondContact CA-OH 3.42Å; N163-Y481 WeakPolarHBondContact OD1-CE1 3.39Å; S477-Y481 WeakPolarHBondContact O-CD2 3.48Å; S477-Y481 VanDerWaalsContact O-CE2 3.32Å; S477-Y481 WeakPolarHBondContact O-CE2 3.41Å; M478-Y481 PolarHBondContact O-N 3.12Å; D479-Y481 PolarHBondContact O-N 3.41Å; D479-Y481 VanDerWaalsContact O-N 3.12Å; Y481-K485 VanDerWaalsContact O-CD 3.23Å; Y481-K485 WeakPolarHBondContact O-CD 3.37Å; Y481-K485 WeakPolarHBondContact O-CE 3.32Å; Y481-K485 PolarHBondContact O-NZ 2.86Å; Y481-L585 HydrophobicContact CD1-CD1 4.08Å; Y481-L585 HydrophobicContact CD1-CD2 4.46Å; Y481-L585 HydrophobicContact CD2-CD1 3.66Å; Y481-L585 HydrophobicContact CD2-CD2 3.05Å; Y481-L585 HydrophobicContact CD2-CG 3.95Å; Y481-L585 HydrophobicContact CE1-CD1 3.78Å; Y481-L585 HydrophobicContact CE2-CD1 3.3Å; Y481-L585 HydrophobicContact CE2-CD2 3.5Å; Y481-L585 VanDerWaalsContact CE2-CD2 3.5Å; Y481-L585 HydrophobicContact CE2-CG 3.97Å; Y481-L585 HydrophobicContact CG-CD1 4.02Å; Y481-L585 HydrophobicContact CG-CD2 3.61Å; Y481-L585 HydrophobicContact CG-CG 4.4Å
482L90.1Very high91Very high0 Ų017.8 Ų17.80%010%0.099CC..Hα-helixtrans-83.3-25.3178.2-80.3159.6000113.2V370 I393 F403 M478 D479 G484 K485 P487 I565V370-L482 HydrophobicContact CG1-CB 4.5Å; V370-L482 HydrophobicContact CG1-CD1 3.66Å; I393-L482 HydrophobicContact CG2-CD2 3.25Å; I393-L482 HydrophobicContact CG2-CG 4.2Å; F403-L482 HydrophobicContact CE1-CD1 4.35Å; F403-L482 HydrophobicContact CE2-CD1 4Å; F403-L482 HydrophobicContact CZ-CD1 3.39Å; M478-L482 HydrophobicContact CB-CD1 3.85Å; M478-L482 WeakPolarHBondContact O-CB 3.38Å; M478-L482 PolarHBondContact O-N 3.47Å; D479-L482 PolarHBondContact O-N 3.12Å; L482-G484 PolarHBondContact O-N 2.9Å; L482-G484 VanDerWaalsContact O-N 3.17Å; L482-K485 WeakPolarHBondContact O-CB 3.42Å; L482-K485 PolarHBondContact O-N 3.26Å; L482-P487 HydrophobicContact CD2-CB 3.81Å; L482-I565 HydrophobicContact CG-CD1 4.27Å
483R87.5Confident91.2Very high61 Ų6115.2 Ų15.223%0.238%0.084CC..BIsolated β-bridgetrans-49.7126.3-179.5-175.8-177.7-57.4-77.2-10.6110.7K373 D479 K485K373-R483 VanDerWaalsContact CD-NH2 3.3Å; K373-R483 VanDerWaalsContact O-CA 3.3Å; K373-R483 WeakPolarHBondContact O-CA 3.41Å; D479-R483 WeakPolarHBondContact O-CB 3.07Å; D479-R483 PolarHBondContact O-N 3.08Å; D479-R483 IonicContact OD1-CZ 3.91Å; D479-R483 IonicContact OD1-NH2 3.25Å; D479-R483 PolarHBondContact OD1-NH2 2.89Å; D479-R483 IonicContact OD2-CZ 3.02Å; D479-R483 IonicContact OD2-NH2 2.6Å; D479-R483 PolarHBondContact OD2-NH2 3.04Å; R483-K485 PolarHBondContact O-N 3.34Å
484G83.8Confident91.2Very high41 Ų4114.4 Ų14.442%0.4238%0.078SC..THydrogen-bonded Turntrans66.820.6178.100000114.5K373 A375 L482K373-G484 PolarHBondContact O-N 2.96Å; A375-G484 VanDerWaalsContact CB-CA 3.44Å; A375-G484 WeakPolarHBondContact CB-O 3.47Å; L482-G484 PolarHBondContact O-N 2.9Å; L482-G484 VanDerWaalsContact O-N 3.17Å
485K85.6Confident91Very high31 Ų3115.8 Ų15.814%0.1359%0.085CC..SBendtrans-125.7156.6176.1-57.3-170.4-169.464.40112.6G219 C374 A375 N391 I393 Y481 L482 R483 P487G219-K485 WeakPolarHBondContact O-CE 3.48Å; C374-K485 CarbonylContact C-O 3.46Å; C374-K485 WeakPolarHBondContact CB-O 3.18Å; A375-K485 VanDerWaalsContact N-N 3.16Å; A375-K485 PolarHBondContact N-O 3.38Å; N391-K485 HydrophobicContact CB-CD 4.27Å; N391-K485 HydrophobicContact CB-CG 4.09Å; N391-K485 CarbonylContact O-C 3.52Å; N391-K485 WeakPolarHBondContact O-CA 3.46Å; N391-K485 VanDerWaalsContact O-CB 3.24Å; N391-K485 WeakPolarHBondContact O-CB 3.41Å; I393-K485 HydrophobicContact CB-CD 4.39Å; I393-K485 HydrophobicContact CD1-CD 4.42Å; Y481-K485 VanDerWaalsContact O-CD 3.23Å; Y481-K485 WeakPolarHBondContact O-CD 3.37Å; Y481-K485 WeakPolarHBondContact O-CE 3.32Å; Y481-K485 PolarHBondContact O-NZ 2.86Å; L482-K485 WeakPolarHBondContact O-CB 3.42Å; L482-K485 PolarHBondContact O-N 3.26Å; R483-K485 PolarHBondContact O-N 3.34Å; K485-P487 WeakPolarHBondContact O-CD 3.46Å
486V86.9Confident90.9Very high2 Ų216.3 Ų16.31%0.0129%0.088CC..EExtended strand (participates in β ladder)trans-87.6118.3173.41800000109.4L286 A375 L376 V387 V390 N391 R392 I393 V488 V521L286-V486 HydrophobicContact CD1-CG1 4.26Å; A375-V486 WeakPolarHBondContact O-CG2 3.35Å; L376-V486 HydrophobicContact CB-CG2 4.5Å; V387-V486 HydrophobicContact CG2-CG1 4.31Å; V387-V486 HydrophobicContact CG2-CG2 4.08Å; V390-V486 HydrophobicContact CB-CG2 4.06Å; V390-V486 HydrophobicContact CG1-CG2 3.75Å; N391-V486 PolarHBondContact O-N 3.49Å; R392-V486 WeakPolarHBondContact CA-O 2.9Å; I393-V486 PolarHBondContact N-O 3.1Å; V486-V488 HydrophobicContact CG1-CG1 4.13Å; V486-V488 PolarHBondContact O-N 2.63Å; V486-V521 HydrophobicContact CG1-CB 4.42Å; V486-V521 HydrophobicContact CG1-CG2 3.61Å
487P91.9Very high91Very high3 Ų315 Ų152%0.0198%0.082CC..EExtended strand (participates in β ladder)trans-78122.2173.632.3-34.2000111I393 L395 L482 K485 L520 V521I393-P487 HydrophobicContact CG2-CB 4.36Å; I393-P487 WeakPolarHBondContact O-CA 2.95Å; L395-P487 HydrophobicContact CD1-CB 4.07Å; L482-P487 HydrophobicContact CD2-CB 3.81Å; K485-P487 WeakPolarHBondContact O-CD 3.46Å; P487-L520 HydrophobicContact CB-CD2 3.68Å; P487-L520 HydrophobicContact CG-CD2 3.81Å; P487-V521 PolarHBondContact O-N 3.3Å; P487-V521 VanDerWaalsContact O-N 3.07Å
488V91.7Very high91.2Very high0 Ų013.6 Ų13.60%07%0.072CC..EExtended strand (participates in β ladder)trans-116.8153.6179.8-51.30000111.1L286 R392 I393 N394 L395 V486 V521 L523 L560L286-V488 HydrophobicContact CD1-CG1 4.03Å; R392-V488 HydrophobicContact CB-CG1 4.4Å; I393-V488 WeakPolarHBondContact O-CG2 3.49Å; I393-V488 PolarHBondContact O-N 3.34Å; N394-V488 WeakPolarHBondContact CA-O 3.46Å; N394-V488 HydrophobicContact CB-CG2 4.06Å; L395-V488 PolarHBondContact N-O 3.31Å; V486-V488 HydrophobicContact CG1-CG1 4.13Å; V486-V488 PolarHBondContact O-N 2.63Å; V488-V521 WeakPolarHBondContact CA-O 3.38Å; V488-V521 HydrophobicContact CG1-CB 4.16Å; V488-L523 HydrophobicContact CB-CD1 3.86Å; V488-L523 HydrophobicContact CB-CG 4.42Å; V488-L523 HydrophobicContact CG1-CD1 4.44Å; V488-L523 HydrophobicContact CG2-CD1 4.1Å; V488-L560 HydrophobicContact CG2-CD1 3.8Å
489V93.9Very high91.3Very high0 Ų018 Ų180%010%0.095CC..EExtended strand (participates in β ladder)trans-151.5138.7-178.963.20000110.8L400 A493 I494 L520 V521 I522 L523L400-V489 HydrophobicContact CD1-CG2 3.97Å; L400-V489 HydrophobicContact CD2-CG2 4.46Å; V489-A493 HydrophobicContact CG2-CB 3.67Å; V489-I494 HydrophobicContact CB-CD1 4.3Å; V489-I494 HydrophobicContact CG1-CD1 3.62Å; V489-I494 HydrophobicContact CG1-CG1 4.05Å; V489-I494 HydrophobicContact CG2-CD1 3.63Å; V489-I494 HydrophobicContact CG2-CG1 4.02Å; V489-L520 HydrophobicContact CB-CD1 4.31Å; V489-L520 HydrophobicContact CG1-CB 3.83Å; V489-L520 HydrophobicContact CG1-CD1 3.85Å; V489-L520 HydrophobicContact CG1-CG 4.48Å; V489-V521 PolarHBondContact N-O 3.1Å; V489-I522 HydrophobicContact CG1-CG1 3.94Å; V489-I522 CarbonylContact O-C 3.59Å; V489-I522 WeakPolarHBondContact O-CA 3.42Å; V489-L523 PolarHBondContact O-N 3.06Å
490C92.9Very high91.4Very high0 Ų019.2 Ų19.20%010%0.101CC..EExtended strand (participates in β ladder)trans-87.6159.6178.3770000113.3S492 A493 I494 L523 D525 V556C490-S492 VanDerWaalsContact C-N 3.33Å; C490-S492 PolarHBondContact O-N 2.99Å; C490-A493 WeakPolarHBondContact O-CB 3.11Å; C490-A493 PolarHBondContact O-N 3.19Å; C490-A493 VanDerWaalsContact O-N 3.08Å; C490-I494 WeakPolarHBondContact O-CG1 3.48Å; C490-I494 PolarHBondContact O-N 3.16Å; C490-I494 VanDerWaalsContact O-N 3.08Å; C490-L523 CarbonylContact C-O 3.53Å; C490-L523 VanDerWaalsContact CA-O 3.29Å; C490-L523 WeakPolarHBondContact CA-O 3.33Å; C490-D525 PolarHBondContact SG-OD1 3.45Å; C490-D525 VanDerWaalsContact SG-OD1 3.36Å; C490-V556 HydrophobicContact CB-CB 4.36Å; C490-V556 HydrophobicContact CB-CG1 4.18Å; C490-V556 HydrophobicContact CB-CG2 3.86Å
491L91.7Very high91.9Very high4 Ų416.7 Ų16.72%0.0219%0.09CC..Hα-helixtrans-56-41.1178.9-74.1175.3000112.9L328 S332 A493 I494 H495 I522 L523 D525 P535L328-L491 HydrophobicContact CB-CD2 3.9Å; L328-L491 HydrophobicContact CD1-CD2 4.21Å; L328-L491 HydrophobicContact CD2-CD2 4.02Å; L328-L491 HydrophobicContact CG-CD2 4.28Å; S332-L491 WeakPolarHBondContact OG-CD1 3.16Å; L491-A493 VanDerWaalsContact C-N 3.32Å; L491-A493 PolarHBondContact O-N 2.76Å; L491-I494 WeakPolarHBondContact O-CB 3.47Å; L491-I494 PolarHBondContact O-N 2.94Å; L491-H495 PolarHBondContact O-N 2.85Å; L491-H495 PolarHBondContact O-ND1 3.24Å; L491-I522 HydrophobicContact CD2-CG2 3.78Å; L491-I522 HydrophobicContact CG-CG2 4.45Å; L491-L523 WeakPolarHBondContact CG-O 3.37Å; L491-L523 PolarHBondContact N-O 3.49Å; L491-D525 WeakPolarHBondContact CB-OD2 3.5Å; L491-P535 HydrophobicContact CB-CB 4.28Å; L491-P535 HydrophobicContact CB-CG 3.86Å; L491-P535 HydrophobicContact CD1-CG 4Å
492S93.1Very high92.3Very high1 Ų115.4 Ų15.41%0.0079%0.086CC..Hα-helixtrans-59.7-40.7175.8-61.10000113.2C490 I494 H495 S496 D525 F536C490-S492 VanDerWaalsContact C-N 3.33Å; C490-S492 PolarHBondContact O-N 2.99Å; S492-I494 VanDerWaalsContact C-N 3.35Å; S492-H495 PolarHBondContact O-N 3.06Å; S492-S496 PolarHBondContact O-N 3.2Å; S492-D525 WeakPolarHBondContact CB-OD1 3.32Å; S492-D525 PolarHBondContact N-OD2 3.06Å; S492-D525 PolarHBondContact OG-OD1 3.21Å; S492-D525 PolarHBondContact OG-OD2 3.36Å; S492-F536 WeakPolarHBondContact OG-CB 3.25Å; S492-F536 PolarHBondContact OG-N 2.84Å
493A95.8Very high92.4Very high0 Ų021.7 Ų21.70%012%0.119CC..Hα-helixtrans-63.6-44176.300000110.5V397 V489 C490 L491 S496 F497 I553V397-A493 HydrophobicContact CG2-CB 4.16Å; V489-A493 HydrophobicContact CG2-CB 3.67Å; C490-A493 WeakPolarHBondContact O-CB 3.11Å; C490-A493 PolarHBondContact O-N 3.19Å; C490-A493 VanDerWaalsContact O-N 3.08Å; L491-A493 VanDerWaalsContact C-N 3.32Å; L491-A493 PolarHBondContact O-N 2.76Å; A493-S496 PolarHBondContact O-N 3.43Å; A493-F497 VanDerWaalsContact O-CB 3.23Å; A493-F497 WeakPolarHBondContact O-CB 3.38Å; A493-F497 PolarHBondContact O-N 3.43Å; A493-I553 HydrophobicContact CB-CD1 3.71Å; A493-I553 HydrophobicContact CB-CG1 3.98Å
494I94.2Very high92.8Very high0 Ų021.9 Ų21.90%012%0.124CC..Hα-helixtrans-60.2-48.9175.5-63.3-53.2000111.9L328 L400 V489 C490 L491 S492 S496 F497 L498 L517 I522L328-I494 HydrophobicContact CD1-CG2 3.57Å; L400-I494 HydrophobicContact CD1-CD1 4.44Å; V489-I494 HydrophobicContact CB-CD1 4.3Å; V489-I494 HydrophobicContact CG1-CD1 3.62Å; V489-I494 HydrophobicContact CG1-CG1 4.05Å; V489-I494 HydrophobicContact CG2-CD1 3.63Å; V489-I494 HydrophobicContact CG2-CG1 4.02Å; C490-I494 WeakPolarHBondContact O-CG1 3.48Å; C490-I494 PolarHBondContact O-N 3.16Å; C490-I494 VanDerWaalsContact O-N 3.08Å; L491-I494 WeakPolarHBondContact O-CB 3.47Å; L491-I494 PolarHBondContact O-N 2.94Å; S492-I494 VanDerWaalsContact C-N 3.35Å; I494-S496 VanDerWaalsContact C-N 3.33Å; I494-S496 PolarHBondContact O-N 3.13Å; I494-F497 PolarHBondContact O-N 3.49Å; I494-L498 HydrophobicContact CG2-CD1 3.63Å; I494-L498 HydrophobicContact CG2-CG 4.11Å; I494-L498 WeakPolarHBondContact O-CB 3.31Å; I494-L498 WeakPolarHBondContact O-CG 3.29Å; I494-L498 PolarHBondContact O-N 3.35Å; I494-L517 HydrophobicContact CD1-CD2 3.33Å; I494-L517 HydrophobicContact CG2-CD1 4.33Å; I494-I522 HydrophobicContact CG1-CG2 4.22Å
495H92.8Very high93.3Very high29 Ų2920 Ų2013%0.13410%0.104CC..Hα-helixtrans-57.8-46.6178-78.680.1000111.2L325 L491 S492 N499L325-H495 VanDerWaalsContact CD2-CD2 3.44Å; L325-H495 WeakPolarHBondContact CD2-CD2 3.46Å; L491-H495 PolarHBondContact O-N 2.85Å; L491-H495 PolarHBondContact O-ND1 3.24Å; S492-H495 PolarHBondContact O-N 3.06Å; H495-N499 WeakPolarHBondContact O-CB 3.33Å; H495-N499 VanDerWaalsContact O-CG 3.23Å; H495-N499 PolarHBondContact O-N 3.14Å; H495-N499 PolarHBondContact O-ND2 3.33Å
496S94.8Very high93.7Very high11 Ų1118.6 Ų18.68%0.07710%0.098CC..Hα-helixtrans-66.3-40.2178.4-172.90000112.2S492 A493 I494 I500 L549S492-S496 PolarHBondContact O-N 3.2Å; A493-S496 PolarHBondContact O-N 3.43Å; I494-S496 VanDerWaalsContact C-N 3.33Å; I494-S496 PolarHBondContact O-N 3.13Å; S496-I500 VanDerWaalsContact O-CG1 3.26Å; S496-I500 WeakPolarHBondContact O-CG1 3.28Å; S496-I500 PolarHBondContact O-N 3.15Å; S496-I500 VanDerWaalsContact O-N 3.12Å; S496-L549 WeakPolarHBondContact OG-CD2 3.46Å
497F96.9Very high94Very high0 Ų021.6 Ų21.60%012%0.118CC..Hα-helixtrans-65.1-48.5178.6175.1-117.6000111.9V397 L400 I401 V404 A493 I494 N499 I500 L501 L517V397-F497 HydrophobicContact CG1-CB 4.48Å; L400-F497 HydrophobicContact CB-CD1 4.37Å; L400-F497 HydrophobicContact CB-CD2 3.59Å; L400-F497 HydrophobicContact CB-CE1 4.46Å; L400-F497 HydrophobicContact CB-CE2 3.72Å; L400-F497 HydrophobicContact CB-CG 3.93Å; L400-F497 HydrophobicContact CB-CZ 4.15Å; L400-F497 HydrophobicContact CD1-CB 3.74Å; L400-F497 HydrophobicContact CD1-CD1 4.11Å; L400-F497 HydrophobicContact CD1-CD2 4.31Å; L400-F497 HydrophobicContact CD1-CG 3.8Å; I401-F497 HydrophobicContact CG1-CD2 4.3Å; I401-F497 HydrophobicContact CG1-CE2 4.43Å; V404-F497 HydrophobicContact CG1-CZ 4.25Å; V404-F497 HydrophobicContact CG2-CE2 4.03Å; V404-F497 HydrophobicContact CG2-CZ 4.03Å; A493-F497 VanDerWaalsContact O-CB 3.23Å; A493-F497 WeakPolarHBondContact O-CB 3.38Å; A493-F497 PolarHBondContact O-N 3.43Å; I494-F497 PolarHBondContact O-N 3.49Å; F497-N499 VanDerWaalsContact C-N 3.33Å; F497-N499 PolarHBondContact O-N 3.21Å; F497-I500 WeakPolarHBondContact O-CB 3.5Å; F497-I500 PolarHBondContact O-N 3.46Å; F497-I500 VanDerWaalsContact O-N 3.08Å; F497-L501 HydrophobicContact CD1-CD1 4.07Å; F497-L501 HydrophobicContact CD2-CG 4.45Å; F497-L501 HydrophobicContact CE1-CD1 3.55Å; F497-L501 HydrophobicContact CE1-CG 4.24Å; F497-L501 HydrophobicContact CE2-CD1 4.26Å; F497-L501 HydrophobicContact CE2-CD2 4.11Å; F497-L501 HydrophobicContact CE2-CG 4.09Å; F497-L501 HydrophobicContact CZ-CD1 3.66Å; F497-L501 HydrophobicContact CZ-CD2 4.07Å; F497-L501 HydrophobicContact CZ-CG 3.99Å; F497-L501 PolarHBondContact O-N 3.4Å; F497-L517 HydrophobicContact CD1-CD2 4.05Å; F497-L517 HydrophobicContact CE1-CD2 4.05Å; F497-L517 HydrophobicContact CE1-CG 4.35Å
498L95.6Very high94.1Very high0 Ų025.8 Ų25.80%014%0.14CC..Hα-helixtrans-59-43.5176.4-73.8174000111.5I321 I324 L325 I494 I500 L501 A502 I514 L517I321-L498 HydrophobicContact CD1-CB 4.33Å; I321-L498 WeakPolarHBondContact CD1-O 3.49Å; I321-L498 HydrophobicContact CG1-CB 4.21Å; I321-L498 HydrophobicContact CG1-CD2 4.4Å; I321-L498 HydrophobicContact CG2-CB 4.37Å; I324-L498 HydrophobicContact CB-CD1 4.43Å; I324-L498 HydrophobicContact CG2-CD1 3.67Å; L325-L498 HydrophobicContact CD2-CD1 3.63Å; L325-L498 HydrophobicContact CG-CD1 4.32Å; I494-L498 HydrophobicContact CG2-CD1 3.63Å; I494-L498 HydrophobicContact CG2-CG 4.11Å; I494-L498 WeakPolarHBondContact O-CB 3.31Å; I494-L498 WeakPolarHBondContact O-CG 3.29Å; I494-L498 PolarHBondContact O-N 3.35Å; L498-I500 VanDerWaalsContact C-N 3.28Å; L498-I500 PolarHBondContact O-N 2.88Å; L498-L501 HydrophobicContact CD2-CD1 4.4Å; L498-L501 WeakPolarHBondContact O-CB 3.26Å; L498-L501 PolarHBondContact O-N 3.33Å; L498-A502 PolarHBondContact O-N 3.43Å; L498-I514 HydrophobicContact CD2-CD1 4.29Å; L498-L517 HydrophobicContact CD1-CD1 4.47Å; L498-L517 HydrophobicContact CD2-CD1 3.76Å; L498-L517 HydrophobicContact CG-CD1 4.22Å
499N94Very high94.3Very high91 Ų9125.8 Ų25.849%0.48714%0.14SC..Hα-helixtrans-60.9-36.5175.5-76.2-34.6000112.9H495 F497 A502 L503H495-N499 WeakPolarHBondContact O-CB 3.33Å; H495-N499 VanDerWaalsContact O-CG 3.23Å; H495-N499 PolarHBondContact O-N 3.14Å; H495-N499 PolarHBondContact O-ND2 3.33Å; F497-N499 VanDerWaalsContact C-N 3.33Å; F497-N499 PolarHBondContact O-N 3.21Å; N499-A502 WeakPolarHBondContact O-CB 3.35Å; N499-L503 WeakPolarHBondContact O-CB 3.47Å; N499-L503 PolarHBondContact O-N 3.31Å
500I95.7Very high94.4Very high45 Ų4525.9 Ų25.923%0.23114%0.141CC..Hα-helixtrans-67.8-45.9174.3-69.2167.2000110.1V397 I401 S496 F497 L498 A502 L503 I504 L592V397-I500 HydrophobicContact CG1-CD1 3.69Å; I401-I500 HydrophobicContact CD1-CD1 3.91Å; I401-I500 HydrophobicContact CD1-CG2 4.33Å; S496-I500 VanDerWaalsContact O-CG1 3.26Å; S496-I500 WeakPolarHBondContact O-CG1 3.28Å; S496-I500 PolarHBondContact O-N 3.15Å; S496-I500 VanDerWaalsContact O-N 3.12Å; F497-I500 WeakPolarHBondContact O-CB 3.5Å; F497-I500 PolarHBondContact O-N 3.46Å; F497-I500 VanDerWaalsContact O-N 3.08Å; L498-I500 VanDerWaalsContact C-N 3.28Å; L498-I500 PolarHBondContact O-N 2.88Å; I500-A502 VanDerWaalsContact C-N 3.33Å; I500-A502 PolarHBondContact O-N 2.83Å; I500-L503 PolarHBondContact O-N 2.97Å; I500-I504 HydrophobicContact CG2-CD1 3.91Å; I500-I504 HydrophobicContact CG2-CG1 3.96Å; I500-I504 WeakPolarHBondContact O-CG1 3.47Å; I500-I504 PolarHBondContact O-N 3.48Å; I500-L592 HydrophobicContact CG2-CD1 3.87Å
501L96.3Very high94.4Very high0 Ų029.4 Ų29.40%016%0.156CC..Hα-helixtrans-57.2-46.3175.2-69179.9000111.4V404 F497 L498 L503 S505 W510 L592V404-L501 HydrophobicContact CG2-CD2 4.46Å; F497-L501 HydrophobicContact CD1-CD1 4.07Å; F497-L501 HydrophobicContact CD2-CG 4.45Å; F497-L501 HydrophobicContact CE1-CD1 3.55Å; F497-L501 HydrophobicContact CE1-CG 4.24Å; F497-L501 HydrophobicContact CE2-CD1 4.26Å; F497-L501 HydrophobicContact CE2-CD2 4.11Å; F497-L501 HydrophobicContact CE2-CG 4.09Å; F497-L501 HydrophobicContact CZ-CD1 3.66Å; F497-L501 HydrophobicContact CZ-CD2 4.07Å; F497-L501 HydrophobicContact CZ-CG 3.99Å; F497-L501 PolarHBondContact O-N 3.4Å; L498-L501 HydrophobicContact CD2-CD1 4.4Å; L498-L501 WeakPolarHBondContact O-CB 3.26Å; L498-L501 PolarHBondContact O-N 3.33Å; L501-L503 PolarHBondContact O-N 2.75Å; L501-S505 VanDerWaalsContact C-OG 3.31Å; L501-S505 VanDerWaalsContact O-CB 3.32Å; L501-S505 WeakPolarHBondContact O-CB 3.46Å; L501-S505 PolarHBondContact O-N 3.25Å; L501-S505 PolarHBondContact O-OG 3.03Å; L501-W510 HydrophobicContact CB-CE3 4.05Å; L501-W510 HydrophobicContact CB-CZ3 4.25Å; L501-L592 HydrophobicContact CD2-CD1 3.86Å
502A93Very high94.6Very high4 Ų430.6 Ų30.63%0.03316%0.16CC..Hα-helixtrans-50.1-49.6176.200000111.4K317 F318 I321 L498 N499 I500K317-A502 VanDerWaalsContact CE-O 3.3Å; K317-A502 WeakPolarHBondContact CE-O 3.48Å; K317-A502 PolarHBondContact NZ-O 3.36Å; F318-A502 HydrophobicContact CD1-CB 4.4Å; F318-A502 HydrophobicContact CE1-CB 4.13Å; I321-A502 HydrophobicContact CD1-CB 3.18Å; L498-A502 PolarHBondContact O-N 3.43Å; N499-A502 WeakPolarHBondContact O-CB 3.35Å; I500-A502 VanDerWaalsContact C-N 3.33Å; I500-A502 PolarHBondContact O-N 2.83Å
503L93.2Very high94.7Very high132 Ų13230.6 Ų30.669%0.69116%0.16SC*.Hα-helixtrans-77.5-42.9-168.4-173.565.6000113.1N499 I500 L501N499-L503 WeakPolarHBondContact O-CB 3.47Å; N499-L503 PolarHBondContact O-N 3.31Å; I500-L503 PolarHBondContact O-N 2.97Å; L501-L503 PolarHBondContact O-N 2.75Å
504I94.1Very high94.6Very high66 Ų6630.6 Ų30.634%0.33816%0.16SC..Hα-helixtrans-131.4-7.8-16667.2168.7000115.4I500 L592 T595I500-I504 HydrophobicContact CG2-CD1 3.91Å; I500-I504 HydrophobicContact CG2-CG1 3.96Å; I500-I504 WeakPolarHBondContact O-CG1 3.47Å; I500-I504 PolarHBondContact O-N 3.48Å; I504-L592 HydrophobicContact CD1-CB 3.97Å; I504-L592 HydrophobicContact CD1-CD1 4.23Å; I504-L592 HydrophobicContact CD1-CG 4.38Å; I504-L592 HydrophobicContact CG1-CB 4.21Å; I504-L592 HydrophobicContact CG1-CD1 3.99Å; I504-T595 WeakPolarHBondContact O-CG2 3.14Å; I504-T595 PolarHBondContact O-OG1 3.39Å
505S95.3Very high94.3Very high1 Ų132.6 Ų32.61%0.00717%0.169CC..  trans-74.3143.2179.668.90000111.9K317 L501K317-S505 PolarHBondContact NZ-O 3.01Å; L501-S505 VanDerWaalsContact C-OG 3.31Å; L501-S505 VanDerWaalsContact O-CB 3.32Å; L501-S505 WeakPolarHBondContact O-CB 3.46Å; L501-S505 PolarHBondContact O-N 3.25Å; L501-S505 PolarHBondContact O-OG 3.03Å
506G93.7Very high94.3Very high1 Ų131.2 Ų31.21%0.0116%0.163CC..  trans-83.317816300000112.1N508 E509 W510 E594G506-N508 VanDerWaalsContact C-N 3.33Å; G506-N508 PolarHBondContact O-N 2.84Å; G506-E509 PolarHBondContact O-N 3.35Å; G506-W510 VanDerWaalsContact O-CB 3.27Å; G506-W510 WeakPolarHBondContact O-CB 3.48Å; G506-W510 PolarHBondContact O-N 3.44Å; G506-E594 VanDerWaalsContact CA-CD 3.49Å; G506-E594 VanDerWaalsContact CA-OE2 3.32Å; G506-E594 WeakPolarHBondContact CA-OE2 3.43Å
507P93.2Very high94.1Very high66 Ų6630.7 Ų30.743%0.42916%0.159SC..Hα-helixtrans-56.9-38.9-175.9-27.936.2000114.9F313 K511 E594F313-P507 HydrophobicContact CD1-CG 4.34Å; F313-P507 HydrophobicContact CE1-CG 4.05Å; F313-P507 HydrophobicContact CZ-CB 4.26Å; F313-P507 HydrophobicContact CZ-CG 4.21Å; P507-K511 WeakPolarHBondContact O-CB 3.3Å; P507-K511 PolarHBondContact O-N 2.88Å; P507-E594 WeakPolarHBondContact CD-OE1 3.35Å
508N93.5Very high93.5Very high90 Ų9030.7 Ų30.748%0.48116%0.16SC..Hα-helixtrans-79.6-39.4-177.1-62.5-66000112G506 W510 K511 R512 E594G506-N508 VanDerWaalsContact C-N 3.33Å; G506-N508 PolarHBondContact O-N 2.84Å; N508-W510 VanDerWaalsContact C-N 3.32Å; N508-K511 PolarHBondContact O-N 2.58Å; N508-R512 WeakPolarHBondContact O-CG 3.43Å; N508-R512 PolarHBondContact O-N 3.47Å; N508-E594 WeakPolarHBondContact CB-OE1 3.26Å; N508-E594 PolarHBondContact N-OE1 2.9Å; N508-E594 VanDerWaalsContact N-OE1 3.08Å; N508-E594 PolarHBondContact N-OE2 3.15Å; N508-E594 PolarHBondContact ND2-OE1 3.49Å
509E96.3Very high93Very high0 Ų031 Ų310%016%0.161CC..Hα-helixtrans-63-39.5172-72.5177.1153.500111.6E406 G506 G513 L592 T593 E594E406-E509 PolarHBondContact N-OE1 2.65Å; E406-E509 VanDerWaalsContact N-OE1 3.15Å; G506-E509 PolarHBondContact O-N 3.35Å; E509-G513 PolarHBondContact O-N 3.01Å; E509-L592 HydrophobicContact CB-CD2 4.5Å; E509-L592 HydrophobicContact CG-CD2 4.37Å; E509-L592 VanDerWaalsContact OE1-CA 3.24Å; E509-L592 WeakPolarHBondContact OE1-CA 3.46Å; E509-L592 WeakPolarHBondContact OE2-CB 3.32Å; E509-T593 PolarHBondContact OE1-N 2.98Å; E509-E594 HydrophobicContact CG-CB 4.03Å; E509-E594 WeakPolarHBondContact CG-OE2 3.49Å; E509-E594 PolarHBondContact N-OE2 3.02Å; E509-E594 PolarHBondContact OE1-N 3.01Å; E509-E594 VanDerWaalsContact OE2-CB 3.29Å; E509-E594 WeakPolarHBondContact OE2-CB 3.22Å; E509-E594 PolarHBondContact OE2-N 3.2Å
510W95.8Very high92.7Very high2 Ų226.7 Ų26.71%0.00814%0.138CC..Hα-helixtrans-59.3-53.7171.5169.5-95.7000111.5F303 F313 F316 K317 A320 I321 L501 G506 N508 R512 G513 I514F303-W510 HydrophobicContact CB-CZ2 4.28Å; F303-W510 PolarHBondContact O-NE1 2.94Å; F313-W510 HydrophobicContact CE2-CG 4.31Å; F313-W510 HydrophobicContact CZ-CB 3.77Å; F313-W510 AromaticContact CZ-CG 3.97Å; F313-W510 HydrophobicContact CZ-CG 3.97Å; F316-W510 AromaticContact CE1-CE2 3.93Å; F316-W510 HydrophobicContact CE1-CZ2 4.15Å; F316-W510 AromaticContact CE1-NE1 3.52Å; K317-W510 HydrophobicContact CB-CE3 4.32Å; K317-W510 HydrophobicContact CB-CH2 4.32Å; K317-W510 HydrophobicContact CB-CZ3 4.03Å; K317-W510 HydrophobicContact CD-CD2 4.31Å; K317-W510 HydrophobicContact CD-CE3 3.84Å; K317-W510 HydrophobicContact CD-CZ3 4.34Å; K317-W510 HydrophobicContact CG-CD2 3.91Å; K317-W510 HydrophobicContact CG-CE3 3.64Å; K317-W510 HydrophobicContact CG-CH2 4.31Å; K317-W510 HydrophobicContact CG-CZ3 3.86Å; A320-W510 HydrophobicContact CB-CH2 3.75Å; A320-W510 HydrophobicContact CB-CZ2 3.64Å; I321-W510 HydrophobicContact CD1-CH2 4.46Å; I321-W510 HydrophobicContact CD1-CZ3 4.1Å; I321-W510 HydrophobicContact CG1-CH2 4.02Å; I321-W510 HydrophobicContact CG1-CZ3 4.11Å; L501-W510 HydrophobicContact CB-CE3 4.05Å; L501-W510 HydrophobicContact CB-CZ3 4.25Å; G506-W510 VanDerWaalsContact O-CB 3.27Å; G506-W510 WeakPolarHBondContact O-CB 3.48Å; G506-W510 PolarHBondContact O-N 3.44Å; N508-W510 VanDerWaalsContact C-N 3.32Å; W510-R512 VanDerWaalsContact C-N 3.32Å; W510-R512 PolarHBondContact O-N 3.43Å; W510-G513 WeakPolarHBondContact O-CA 3.16Å; W510-G513 PolarHBondContact O-N 3.18Å; W510-I514 HydrophobicContact CD2-CG1 4.11Å; W510-I514 HydrophobicContact CH2-CD1 3.88Å; W510-I514 HydrophobicContact CH2-CG1 4.32Å; W510-I514 HydrophobicContact CZ2-CD1 3.77Å; W510-I514 HydrophobicContact CZ2-CG1 3.76Å; W510-I514 HydrophobicContact CZ3-CD1 4.32Å; W510-I514 WeakPolarHBondContact O-CG1 3.48Å; W510-I514 PolarHBondContact O-N 3.43Å
511K93.6Very high92.2Very high74 Ų7424.8 Ų24.832%0.32213%0.128SC..Hα-helixtrans-54.8-49.1179.8175.3173.3178.9173.80111.1T304 P507 N508 G513 I514 Q515T304-K511 WeakPolarHBondContact O-CG 3.13Å; P507-K511 WeakPolarHBondContact O-CB 3.3Å; P507-K511 PolarHBondContact O-N 2.88Å; N508-K511 PolarHBondContact O-N 2.58Å; K511-G513 VanDerWaalsContact C-N 3.33Å; K511-G513 PolarHBondContact O-N 2.98Å; K511-I514 PolarHBondContact O-N 3.19Å; K511-Q515 HydrophobicContact CG-CG 4.47Å; K511-Q515 WeakPolarHBondContact O-CB 3.43Å; K511-Q515 VanDerWaalsContact O-CG 3.25Å; K511-Q515 WeakPolarHBondContact O-CG 3.34Å; K511-Q515 PolarHBondContact O-N 2.84Å
512R94.7Very high91.8Very high30 Ų3025.3 Ų25.311%0.11313%0.131CC..Hα-helixtrans-63.6-38.1176.1-72.1-173.4-61-95.15.1112.5M367 V404 Q409 N508 W510 Q515 L516M367-R512 HydrophobicContact CE-CB 4.11Å; M367-R512 HydrophobicContact CE-CG 4.18Å; M367-R512 HydrophobicContact SD-CB 4.24Å; V404-R512 HydrophobicContact CB-CB 3.92Å; V404-R512 HydrophobicContact CG1-CB 3.99Å; V404-R512 VanDerWaalsContact O-CZ 3.26Å; V404-R512 PolarHBondContact O-NE 3.45Å; V404-R512 PolarHBondContact O-NH2 3.26Å; Q409-R512 VanDerWaalsContact CG-CD 3.49Å; N508-R512 WeakPolarHBondContact O-CG 3.43Å; N508-R512 PolarHBondContact O-N 3.47Å; W510-R512 VanDerWaalsContact C-N 3.32Å; W510-R512 PolarHBondContact O-N 3.43Å; R512-Q515 PolarHBondContact O-N 3.41Å; R512-L516 VanDerWaalsContact O-CB 3.25Å; R512-L516 WeakPolarHBondContact O-CB 3.49Å; R512-L516 PolarHBondContact O-N 3.26Å
513G95.5Very high91.4Very high0 Ų025.2 Ų25.20%013%0.13CC..Hα-helixtrans-54.2-54.7172.600000112.4E509 W510 K511 L516 L517E509-G513 PolarHBondContact O-N 3.01Å; W510-G513 WeakPolarHBondContact O-CA 3.16Å; W510-G513 PolarHBondContact O-N 3.18Å; K511-G513 VanDerWaalsContact C-N 3.33Å; K511-G513 PolarHBondContact O-N 2.98Å; G513-L516 PolarHBondContact O-N 3.01Å; G513-L517 WeakPolarHBondContact O-CG 3.47Å; G513-L517 PolarHBondContact O-N 3.18Å
514I93.4Very high91.1Very high0 Ų019.1 Ų19.10%010%0.098CC..Hα-helixtrans-65.2-41.9179.1-61.1-53.2000111.5L300 F303 T304 I324 L498 W510 K511 L517 S518L300-I514 HydrophobicContact CB-CG2 3.94Å; L300-I514 HydrophobicContact CD2-CG2 4.33Å; L300-I514 WeakPolarHBondContact O-CG2 3.26Å; F303-I514 HydrophobicContact CB-CG2 4.38Å; T304-I514 HydrophobicContact CG2-CB 4.12Å; T304-I514 HydrophobicContact CG2-CG2 3.64Å; I324-I514 HydrophobicContact CD1-CD1 3.81Å; L498-I514 HydrophobicContact CD2-CD1 4.29Å; W510-I514 HydrophobicContact CD2-CG1 4.11Å; W510-I514 HydrophobicContact CH2-CD1 3.88Å; W510-I514 HydrophobicContact CH2-CG1 4.32Å; W510-I514 HydrophobicContact CZ2-CD1 3.77Å; W510-I514 HydrophobicContact CZ2-CG1 3.76Å; W510-I514 HydrophobicContact CZ3-CD1 4.32Å; W510-I514 WeakPolarHBondContact O-CG1 3.48Å; W510-I514 PolarHBondContact O-N 3.43Å; K511-I514 PolarHBondContact O-N 3.19Å; I514-L517 PolarHBondContact O-N 3.02Å; I514-S518 PolarHBondContact O-N 2.82Å
515Q89.4Confident90.9Very high42 Ų4216 Ų1620%0.1968%0.082CC..Hα-helixtrans-61.1-45175.3-74.9175.7-34.800111.7T304 M367 K511 R512 L517 S518 H519T304-Q515 HydrophobicContact CG2-CG 3.82Å; M367-Q515 HydrophobicContact CE-CB 4.14Å; K511-Q515 HydrophobicContact CG-CG 4.47Å; K511-Q515 WeakPolarHBondContact O-CB 3.43Å; K511-Q515 VanDerWaalsContact O-CG 3.25Å; K511-Q515 WeakPolarHBondContact O-CG 3.34Å; K511-Q515 PolarHBondContact O-N 2.84Å; R512-Q515 PolarHBondContact O-N 3.41Å; Q515-L517 VanDerWaalsContact C-N 3.34Å; Q515-L517 PolarHBondContact O-N 3.05Å; Q515-S518 WeakPolarHBondContact O-CB 3.46Å; Q515-S518 PolarHBondContact O-N 3.14Å; Q515-S518 VanDerWaalsContact O-N 3.08Å; Q515-S518 PolarHBondContact O-OG 3.36Å; Q515-H519 PolarHBondContact O-CE1 2.8Å; Q515-H519 VanDerWaalsContact O-CE1 3.3Å; Q515-H519 PolarHBondContact O-ND1 3.06Å
516L92.8Very high90.6Very high0 Ų016 Ų160%08%0.082CC..Hα-helixtrans-55.8-49.1176.9177.163.1000110.7M367 L371 L400 F403 V404 R512 G513 S518 H519 L520M367-L516 HydrophobicContact SD-CB 3.9Å; M367-L516 HydrophobicContact SD-CD1 4.28Å; L371-L516 HydrophobicContact CD1-CD1 4.06Å; L371-L516 HydrophobicContact CD2-CD1 4.13Å; L400-L516 HydrophobicContact CB-CD2 4.37Å; L400-L516 HydrophobicContact CD2-CD2 3.89Å; F403-L516 HydrophobicContact CB-CD1 4.42Å; F403-L516 HydrophobicContact CB-CD2 3.71Å; F403-L516 HydrophobicContact CD1-CD1 4.31Å; F403-L516 HydrophobicContact CD2-CD1 4.32Å; F403-L516 HydrophobicContact CD2-CD2 4.32Å; F403-L516 HydrophobicContact CG-CD1 4.13Å; F403-L516 HydrophobicContact CG-CD2 4.16Å; V404-L516 HydrophobicContact CG1-CB 4.21Å; V404-L516 HydrophobicContact CG1-CD2 3.84Å; R512-L516 VanDerWaalsContact O-CB 3.25Å; R512-L516 WeakPolarHBondContact O-CB 3.49Å; R512-L516 PolarHBondContact O-N 3.26Å; G513-L516 PolarHBondContact O-N 3.01Å; L516-S518 PolarHBondContact O-N 3.01Å; L516-S518 VanDerWaalsContact O-N 3.12Å; L516-H519 PolarHBondContact O-N 3.03Å; L516-L520 HydrophobicContact CD1-CD1 4.28Å; L516-L520 HydrophobicContact CD1-CD2 4.15Å; L516-L520 HydrophobicContact CD1-CG 4.25Å; L516-L520 HydrophobicContact CD2-CD1 4.49Å; L516-L520 HydrophobicContact CG-CD1 3.97Å; L516-L520 HydrophobicContact CG-CG 4.32Å; L516-L520 WeakPolarHBondContact O-CG 3.4Å; L516-L520 PolarHBondContact O-N 3.41Å
517L90.7Very high90.2Very high0 Ų017.5 Ų17.50%09%0.09CC..Hα-helixtrans-57.6-30.4179.4-63.4-167.3000113.2L300 I494 F497 L498 G513 I514 Q515 H519 L520L300-L517 HydrophobicContact CD1-CB 3.73Å; I494-L517 HydrophobicContact CD1-CD2 3.33Å; I494-L517 HydrophobicContact CG2-CD1 4.33Å; F497-L517 HydrophobicContact CD1-CD2 4.05Å; F497-L517 HydrophobicContact CE1-CD2 4.05Å; F497-L517 HydrophobicContact CE1-CG 4.35Å; L498-L517 HydrophobicContact CD1-CD1 4.47Å; L498-L517 HydrophobicContact CD2-CD1 3.76Å; L498-L517 HydrophobicContact CG-CD1 4.22Å; G513-L517 WeakPolarHBondContact O-CG 3.47Å; G513-L517 PolarHBondContact O-N 3.18Å; I514-L517 PolarHBondContact O-N 3.02Å; Q515-L517 VanDerWaalsContact C-N 3.34Å; Q515-L517 PolarHBondContact O-N 3.05Å; L517-H519 PolarHBondContact O-N 3.48Å; L517-L520 HydrophobicContact CD2-CD1 4.37Å
518S83.5Confident89.7Confident1 Ų119.6 Ų19.61%0.00711%0.106CC..THydrogen-bonded Turntrans-71-9.3176.981.60000114.4F379 I514 Q515 L516F379-S518 WeakPolarHBondContact CE2-O 3.38Å; I514-S518 PolarHBondContact O-N 2.82Å; Q515-S518 WeakPolarHBondContact O-CB 3.46Å; Q515-S518 PolarHBondContact O-N 3.14Å; Q515-S518 VanDerWaalsContact O-N 3.08Å; Q515-S518 PolarHBondContact O-OG 3.36Å; L516-S518 PolarHBondContact O-N 3.01Å; L516-S518 VanDerWaalsContact O-N 3.12Å
519H84.4Confident89Confident7 Ų718.9 Ų18.93%0.03211%0.108CC..THydrogen-bonded Turntrans-114-1.5-178.3-59.4109.9000113.9R297 F361 L371 W377 Q515 L516 L517R297-H519 PolarHBondContact NH2-NE2 3.23Å; F361-H519 AromaticContact CD2-CE1 3.88Å; F361-H519 AromaticContact CD2-NE2 3.42Å; F361-H519 WeakPolarHBondContact CD2-NE2 3.29Å; F361-H519 AromaticContact CE2-CE1 3.46Å; F361-H519 VanDerWaalsContact CE2-CE1 3.46Å; F361-H519 WeakPolarHBondContact CE2-CE1 3.41Å; F361-H519 AromaticContact CE2-NE2 3.41Å; F361-H519 WeakPolarHBondContact CE2-NE2 3.39Å; L371-H519 HydrophobicContact CD1-CB 3.92Å; L371-H519 HydrophobicContact CD2-CB 4.34Å; W377-H519 AromaticContact CE2-CD2 3.86Å; W377-H519 AromaticContact CH2-CD2 2.95Å; W377-H519 WeakPolarHBondContact CH2-CD2 3.25Å; W377-H519 AromaticContact CH2-CG 3.82Å; W377-H519 AromaticContact CH2-NE2 3.18Å; W377-H519 WeakPolarHBondContact CH2-NE2 3.4Å; W377-H519 AromaticContact CZ2-CD2 3.01Å; W377-H519 WeakPolarHBondContact CZ2-CD2 3.4Å; W377-H519 AromaticContact CZ2-NE2 3.13Å; W377-H519 WeakPolarHBondContact CZ2-NE2 3.46Å; W377-H519 AromaticContact CZ3-CD2 3.82Å; Q515-H519 PolarHBondContact O-CE1 2.8Å; Q515-H519 VanDerWaalsContact O-CE1 3.3Å; Q515-H519 PolarHBondContact O-ND1 3.06Å; L516-H519 PolarHBondContact O-N 3.03Å; L517-H519 PolarHBondContact O-N 3.48Å
520L88.4Confident88.3Confident0 Ų019.7 Ų19.70%012%0.116CC..SBendtrans-101.5148.2-178.7-58.9-179000111.2L395 L400 P487 V489 L516 L517 I522L395-L520 HydrophobicContact CD1-CD1 4.09Å; L395-L520 HydrophobicContact CD1-CD2 3.61Å; L400-L520 HydrophobicContact CD2-CD1 3.55Å; P487-L520 HydrophobicContact CB-CD2 3.68Å; P487-L520 HydrophobicContact CG-CD2 3.81Å; V489-L520 HydrophobicContact CB-CD1 4.31Å; V489-L520 HydrophobicContact CG1-CB 3.83Å; V489-L520 HydrophobicContact CG1-CD1 3.85Å; V489-L520 HydrophobicContact CG1-CG 4.48Å; L516-L520 HydrophobicContact CD1-CD1 4.28Å; L516-L520 HydrophobicContact CD1-CD2 4.15Å; L516-L520 HydrophobicContact CD1-CG 4.25Å; L516-L520 HydrophobicContact CD2-CD1 4.49Å; L516-L520 HydrophobicContact CG-CD1 3.97Å; L516-L520 HydrophobicContact CG-CG 4.32Å; L516-L520 WeakPolarHBondContact O-CG 3.4Å; L516-L520 PolarHBondContact O-N 3.41Å; L517-L520 HydrophobicContact CD2-CD1 4.37Å; L520-I522 PolarHBondContact O-N 3.5Å
521V86.3Confident87.6Confident4 Ų425.2 Ų25.22%0.02414%0.142CC..EExtended strand (participates in β ladder)trans-82.3111.1166.6-178.80000108.6L286 L289 V486 P487 V488 V489 L523L286-V521 HydrophobicContact CD2-CG1 4.19Å; L289-V521 HydrophobicContact CB-CG1 4.47Å; V486-V521 HydrophobicContact CG1-CB 4.42Å; V486-V521 HydrophobicContact CG1-CG2 3.61Å; P487-V521 PolarHBondContact O-N 3.3Å; P487-V521 VanDerWaalsContact O-N 3.07Å; V488-V521 WeakPolarHBondContact CA-O 3.38Å; V488-V521 HydrophobicContact CG1-CB 4.16Å; V489-V521 PolarHBondContact N-O 3.1Å; V521-L523 HydrophobicContact CG1-CD2 3.94Å
522I86.5Confident87.1Confident12 Ų1224.5 Ų24.56%0.06214%0.142CC..EExtended strand (participates in β ladder)trans-88.8128.3-179.1-57.9173.8000109.6F296 L328 V489 L491 I494 L520F296-I522 HydrophobicContact CD1-CD1 4.04Å; F296-I522 HydrophobicContact CE1-CD1 3.4Å; F296-I522 VanDerWaalsContact CE1-CD1 3.4Å; F296-I522 HydrophobicContact CZ-CD1 4.25Å; L328-I522 HydrophobicContact CD2-CD1 4.1Å; L328-I522 HydrophobicContact CD2-CG2 4.16Å; V489-I522 HydrophobicContact CG1-CG1 3.94Å; V489-I522 CarbonylContact O-C 3.59Å; V489-I522 WeakPolarHBondContact O-CA 3.42Å; L491-I522 HydrophobicContact CD2-CG2 3.78Å; L491-I522 HydrophobicContact CG-CG2 4.45Å; I494-I522 HydrophobicContact CG1-CG2 4.22Å; L520-I522 PolarHBondContact O-N 3.5Å
523L86Confident86.7Confident2 Ų224.9 Ų24.91%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-116.1149.5-175.6-56-179.7000111.5L286 L289 V488 V489 C490 L491 V521 V556 L560L286-L523 HydrophobicContact CD2-CD1 4.37Å; L286-L523 HydrophobicContact CD2-CD2 3.57Å; L289-L523 HydrophobicContact CD1-CD2 3.27Å; L289-L523 HydrophobicContact CD2-CD2 4.23Å; L289-L523 HydrophobicContact CG-CD2 4.2Å; V488-L523 HydrophobicContact CB-CD1 3.86Å; V488-L523 HydrophobicContact CB-CG 4.42Å; V488-L523 HydrophobicContact CG1-CD1 4.44Å; V488-L523 HydrophobicContact CG2-CD1 4.1Å; V489-L523 PolarHBondContact O-N 3.06Å; C490-L523 CarbonylContact C-O 3.53Å; C490-L523 VanDerWaalsContact CA-O 3.29Å; C490-L523 WeakPolarHBondContact CA-O 3.33Å; L491-L523 WeakPolarHBondContact CG-O 3.37Å; L491-L523 PolarHBondContact N-O 3.49Å; V521-L523 HydrophobicContact CG1-CD2 3.94Å; L523-V556 HydrophobicContact CD1-CG1 4.32Å; L523-L560 HydrophobicContact CD1-CD1 3.3Å; L523-L560 HydrophobicContact CD1-CD2 4.29Å; L523-L560 HydrophobicContact CD1-CG 4.42Å
524P86.7Confident86.1Confident4 Ų429.1 Ų29.13%0.02618%0.175CC..  trans-58.6159.9160.928.1-33.8000110.7F335 L526 I532F335-P524 HydrophobicContact CD2-CB 4.37Å; F335-P524 HydrophobicContact CD2-CG 4.16Å; P524-L526 HydrophobicContact CG-CD2 4.36Å; P524-I532 HydrophobicContact CB-CD1 4.39Å; P524-I532 HydrophobicContact CB-CG1 4.16Å; P524-I532 HydrophobicContact CB-CG2 3.85Å; P524-I532 HydrophobicContact CG-CD1 3.93Å; P524-I532 HydrophobicContact CG-CG1 3.87Å; P524-I532 HydrophobicContact CG-CG2 4.49Å
525D89.2Confident85.6Confident0 Ų030.5 Ų30.50%018%0.184CC..EExtended strand (participates in β ladder)trans-70.2142.6168.8-73.3-96.8000110.3C490 L491 S492 I532 I533 P535 R552C490-D525 PolarHBondContact SG-OD1 3.45Å; C490-D525 VanDerWaalsContact SG-OD1 3.36Å; L491-D525 WeakPolarHBondContact CB-OD2 3.5Å; S492-D525 WeakPolarHBondContact CB-OD1 3.32Å; S492-D525 PolarHBondContact N-OD2 3.06Å; S492-D525 PolarHBondContact OG-OD1 3.21Å; S492-D525 PolarHBondContact OG-OD2 3.36Å; D525-I532 WeakPolarHBondContact O-CA 3.4Å; D525-I533 HydrophobicContact CB-CD1 4.29Å; D525-I533 HydrophobicContact CB-CG1 3.89Å; D525-I533 VanDerWaalsContact O-CG1 3.27Å; D525-I533 WeakPolarHBondContact O-CG1 3.27Å; D525-I533 PolarHBondContact O-N 3.17Å; D525-P535 WeakPolarHBondContact OD2-CA 3.04Å; D525-R552 HydrophobicContact CB-CG 4.38Å; D525-R552 WeakPolarHBondContact OD1-CG 3.49Å
526L88.4Confident85.2Confident2 Ų230.1 Ų30.11%0.0118%0.182CC..EExtended strand (participates in β ladder)trans-125.1141.2-177.1-53.5172.9000109.6V284 P524 E531 I532 V556 V559 L560V284-L526 HydrophobicContact CG2-CD1 3.72Å; V284-L526 HydrophobicContact CG2-CD2 4.44Å; P524-L526 HydrophobicContact CG-CD2 4.36Å; L526-E531 WeakPolarHBondContact CA-O 3.49Å; L526-I532 HydrophobicContact CD2-CG1 4.09Å; L526-V556 HydrophobicContact CB-CG2 4.03Å; L526-V556 HydrophobicContact CD1-CG1 4.41Å; L526-V556 HydrophobicContact CG-CG2 4.33Å; L526-V559 HydrophobicContact CB-CG2 4.48Å; L526-V559 HydrophobicContact CD1-CB 4.35Å; L526-V559 HydrophobicContact CD1-CG1 3.87Å; L526-L560 HydrophobicContact CD1-CD2 4.36Å
527N85.1Confident84.3Confident32 Ų3234.5 Ų34.517%0.17121%0.213CC..  trans-85.8-179.8166.868.26.9000110.7S529 G530 E531 I533 V559N527-S529 VanDerWaalsContact CG-OG 3.25Å; N527-S529 PolarHBondContact ND2-OG 3.42Å; N527-S529 PolarHBondContact O-N 3.24Å; N527-S529 PolarHBondContact OD1-N 2.83Å; N527-S529 VanDerWaalsContact OD1-N 3.16Å; N527-S529 PolarHBondContact OD1-OG 3.11Å; N527-G530 PolarHBondContact O-N 3.06Å; N527-G530 PolarHBondContact OD1-N 2.77Å; N527-G530 VanDerWaalsContact OD1-N 3.14Å; N527-E531 PolarHBondContact N-O 3.08Å; N527-E531 VanDerWaalsContact N-O 3.13Å; N527-E531 PolarHBondContact ND2-OE2 2.82Å; N527-E531 PolarHBondContact OD1-N 2.99Å; N527-E531 PolarHBondContact OD1-O 3.32Å; N527-I533 HydrophobicContact CB-CD1 4.17Å; N527-I533 HydrophobicContact CB-CG2 4.16Å; N527-V559 WeakPolarHBondContact O-CG2 3.4Å
528S82.5Confident83.1Confident109 Ų10939.5 Ų39.576%0.76223%0.234SC*.THydrogen-bonded Turntrans-63.4-19.6-178.854.60000115.3G530S528-G530 VanDerWaalsContact C-N 3.34Å
529S79.5Confident81.9Confident75 Ų7543.8 Ų43.852%0.52426%0.26SS..THydrogen-bonded Turntrans-85.6-5.6172.243.90000113.1N527 E531N527-S529 VanDerWaalsContact CG-OG 3.25Å; N527-S529 PolarHBondContact ND2-OG 3.42Å; N527-S529 PolarHBondContact O-N 3.24Å; N527-S529 PolarHBondContact OD1-N 2.83Å; N527-S529 VanDerWaalsContact OD1-N 3.16Å; N527-S529 PolarHBondContact OD1-OG 3.11Å; S529-E531 VanDerWaalsContact C-N 3.35Å; S529-E531 PolarHBondContact OG-OE2 2.86Å; S529-E531 VanDerWaalsContact OG-OE2 3.07Å
530G81.3Confident80.6Confident17 Ų1754 Ų5418%0.17531%0.305CS..  trans81.212.3-176.600000114.3N527 S528N527-G530 PolarHBondContact O-N 3.06Å; N527-G530 PolarHBondContact OD1-N 2.77Å; N527-G530 VanDerWaalsContact OD1-N 3.14Å; S528-G530 VanDerWaalsContact C-N 3.34Å
531E82.2Confident78.8Confident119 Ų11962.8 Ų62.856%0.55635%0.346SS*.  trans-76142.4174.1-60.3168.1141.600110.5L526 N527 S529 I533L526-E531 WeakPolarHBondContact CA-O 3.49Å; N527-E531 PolarHBondContact N-O 3.08Å; N527-E531 VanDerWaalsContact N-O 3.13Å; N527-E531 PolarHBondContact ND2-OE2 2.82Å; N527-E531 PolarHBondContact OD1-N 2.99Å; N527-E531 PolarHBondContact OD1-O 3.32Å; S529-E531 VanDerWaalsContact C-N 3.35Å; S529-E531 PolarHBondContact OG-OE2 2.86Å; S529-E531 VanDerWaalsContact OG-OE2 3.07Å; E531-I533 PolarHBondContact O-N 3.03Å
532I83.4Confident77.4Confident59 Ų5964 Ų6430%0.30335%0.354SS..EExtended strand (participates in β ladder)trans-67.3130.7174.2-64.7175.5000109.4F335 N336 P524 D525 L526F335-I532 HydrophobicContact CB-CD1 3.46Å; F335-I532 VanDerWaalsContact CB-CD1 3.46Å; F335-I532 HydrophobicContact CG-CD1 4.42Å; N336-I532 WeakPolarHBondContact OD1-CG2 3.42Å; P524-I532 HydrophobicContact CB-CD1 4.39Å; P524-I532 HydrophobicContact CB-CG1 4.16Å; P524-I532 HydrophobicContact CB-CG2 3.85Å; P524-I532 HydrophobicContact CG-CD1 3.93Å; P524-I532 HydrophobicContact CG-CG1 3.87Å; P524-I532 HydrophobicContact CG-CG2 4.49Å; D525-I532 WeakPolarHBondContact O-CA 3.4Å; L526-I532 HydrophobicContact CD2-CG1 4.09Å
533I85.3Confident76.1Confident38 Ų3873.4 Ų73.420%0.19540%0.395CS..EExtended strand (participates in β ladder)trans-130.6160.6179.249.2162000110.2D525 N527 E531 R552D525-I533 HydrophobicContact CB-CD1 4.29Å; D525-I533 HydrophobicContact CB-CG1 3.89Å; D525-I533 VanDerWaalsContact O-CG1 3.27Å; D525-I533 WeakPolarHBondContact O-CG1 3.27Å; D525-I533 PolarHBondContact O-N 3.17Å; N527-I533 HydrophobicContact CB-CD1 4.17Å; N527-I533 HydrophobicContact CB-CG2 4.16Å; E531-I533 PolarHBondContact O-N 3.03Å; I533-R552 VanDerWaalsContact CD1-CD 3.48Å
534S83.9Confident75.4Confident89 Ų8978.3 Ų78.362%0.62242%0.421SS*.  trans-62.1141.8178.261.70000111.3
535P82.5Confident75.2Confident29 Ų2979.2 Ų79.219%0.18843%0.427CS..  trans-53.1143171.4-25.334000111.9L491 D525 S537L491-P535 HydrophobicContact CB-CB 4.28Å; L491-P535 HydrophobicContact CB-CG 3.86Å; L491-P535 HydrophobicContact CD1-CG 4Å; D525-P535 WeakPolarHBondContact OD2-CA 3.04Å; P535-S537 PolarHBondContact O-N 2.83Å; P535-S537 VanDerWaalsContact O-N 3.12Å
536F80.8Confident75.1Confident33 Ų3383.6 Ų83.615%0.14545%0.451CS..  trans-68.1110.1178.1-178.5-98.4000110.2S492 K538 S545 L548 L549S492-F536 WeakPolarHBondContact OG-CB 3.25Å; S492-F536 PolarHBondContact OG-N 2.84Å; F536-K538 HydrophobicContact CE1-CG 3.99Å; F536-S545 VanDerWaalsContact CE1-O 3.23Å; F536-S545 WeakPolarHBondContact CE1-O 3.3Å; F536-S545 WeakPolarHBondContact CZ-O 3.31Å; F536-L548 HydrophobicContact CD2-CB 4.3Å; F536-L548 HydrophobicContact CE2-CB 3.57Å; F536-L548 HydrophobicContact CE2-CD1 3.93Å; F536-L548 HydrophobicContact CE2-CG 4.42Å; F536-L548 HydrophobicContact CZ-CB 3.72Å; F536-L548 HydrophobicContact CZ-CD1 4.19Å; F536-L549 HydrophobicContact CD1-CB 3.88Å; F536-L549 HydrophobicContact CD1-CD1 4.25Å; F536-L549 HydrophobicContact CE1-CB 4.09Å
537S72.8Confident75.1Confident93 Ų9386.8 Ų86.865%0.6546%0.463SS*.  trans-93.4126.9170.4-176.40000110P535 T539P535-S537 PolarHBondContact O-N 2.83Å; P535-S537 VanDerWaalsContact O-N 3.12Å; S537-T539 PolarHBondContact O-N 3.43Å
538K65.5Low75.4Confident105 Ų10588.8 Ų88.846%0.45747%0.473SS..  trans-67.2102.2174.1-66-171.9179.9-178.20108.9F536 N546F536-K538 HydrophobicContact CE1-CG 3.99Å; K538-N546 WeakPolarHBondContact CE-OD1 3.32Å; K538-N546 PolarHBondContact NZ-OD1 3.44Å
539T59.2Low75.8Confident90 Ų9084 Ų8455%0.55244%0.439SS*.  trans-73.4138.4164.258.30000108.9S537 E541 S542S537-T539 PolarHBondContact O-N 3.43Å; T539-E541 PolarHBondContact O-N 2.61Å; T539-S542 PolarHBondContact O-N 3.22Å; T539-S542 PolarHBondContact O-OG 2.67Å
540K56.2Low76.5Confident223 Ų22380.7 Ų80.797%0.9742%0.416SS*.THydrogen-bonded Turntrans-54-18.5-178.3-73.6-177.4177.4177.60113.8
541E51.9Low77Confident183 Ų18381.8 Ų81.886%0.85542%0.417SS*.THydrogen-bonded Turntrans-95.1-8.9-171.8-63.4179.3173.300114.3T539 K543T539-E541 PolarHBondContact O-N 2.61Å; E541-K543 PolarHBondContact O-N 3.15Å
542S57.2Low77.4Confident29 Ų2979 Ų7920%0.20340%0.401CS..  trans-90.497.8-177.562.60000112.2T539 N544 S545T539-S542 PolarHBondContact O-N 3.22Å; T539-S542 PolarHBondContact O-OG 2.67Å; S542-N544 PolarHBondContact O-N 3.07Å; S542-S545 WeakPolarHBondContact O-CB 3.47Å; S542-S545 PolarHBondContact O-N 2.88Å; S542-S545 WeakPolarHBondContact OG-CB 3.23Å
543K59.1Low78Confident210 Ų21076.2 Ų76.291%0.91339%0.387SS*.THydrogen-bonded Turntrans-52.2-21.9169.1-73.3-174.8179.1178.30113E541E541-K543 PolarHBondContact O-N 3.15Å
544N69.9Low78.3Confident105 Ų10574.4 Ų74.456%0.56138%0.377SS*.THydrogen-bonded Turntrans-105.320.2-179.1-67.7-11.2000114S542 N546 Y547 L548S542-N544 PolarHBondContact O-N 3.07Å; N544-N546 VanDerWaalsContact C-N 3.33Å; N544-N546 PolarHBondContact O-N 3.38Å; N544-Y547 WeakPolarHBondContact O-CB 3.4Å; N544-Y547 PolarHBondContact O-N 3.16Å; N544-L548 PolarHBondContact O-N 2.93Å
545S82.7Confident78.6Confident23 Ų2371.6 Ų71.616%0.16136%0.355CS..Hα-helixtrans-53.7-44.8-175.361.70000114F536 S542 Y547 L548 L549F536-S545 VanDerWaalsContact CE1-O 3.23Å; F536-S545 WeakPolarHBondContact CE1-O 3.3Å; F536-S545 WeakPolarHBondContact CZ-O 3.31Å; S542-S545 WeakPolarHBondContact O-CB 3.47Å; S542-S545 PolarHBondContact O-N 2.88Å; S542-S545 WeakPolarHBondContact OG-CB 3.23Å; S545-Y547 PolarHBondContact O-N 2.7Å; S545-L548 PolarHBondContact O-N 3.02Å; S545-L549 WeakPolarHBondContact O-CB 3.46Å; S545-L549 PolarHBondContact O-N 3.13Å
546N87.6Confident79.1Confident92 Ų9270.2 Ų70.249%0.49235%0.346SS..Hα-helixtrans-69.4-32.3178.4-70-16.5000112.8K538 N544 T550K538-N546 WeakPolarHBondContact CE-OD1 3.32Å; K538-N546 PolarHBondContact NZ-OD1 3.44Å; N544-N546 VanDerWaalsContact C-N 3.33Å; N544-N546 PolarHBondContact O-N 3.38Å; N546-T550 WeakPolarHBondContact O-CB 3.46Å; N546-T550 PolarHBondContact O-N 3.4Å; N546-T550 PolarHBondContact O-OG1 3.39Å
547Y89.4Confident79.6Confident70 Ų7068.7 Ų68.728%0.27534%0.339SS..Hα-helixtrans-65.3-48.9175174.6-85.7000110.2N544 S545 L549 T550 Q551 F571 S574 V575N544-Y547 WeakPolarHBondContact O-CB 3.4Å; N544-Y547 PolarHBondContact O-N 3.16Å; S545-Y547 PolarHBondContact O-N 2.7Å; Y547-L549 PolarHBondContact O-N 3.17Å; Y547-T550 PolarHBondContact O-N 2.84Å; Y547-Q551 VanDerWaalsContact CE1-OE1 3.31Å; Y547-Q551 WeakPolarHBondContact O-CB 3.42Å; Y547-Q551 PolarHBondContact O-N 3.12Å; Y547-F571 AromaticContact CD2-CD2 3.7Å; Y547-F571 HydrophobicContact CD2-CD2 3.7Å; Y547-F571 AromaticContact CD2-CE2 3.9Å; Y547-F571 HydrophobicContact CD2-CE2 3.9Å; Y547-F571 AromaticContact CE2-CD2 3.89Å; Y547-F571 HydrophobicContact CE2-CD2 3.89Å; Y547-F571 AromaticContact CE2-CE2 3.8Å; Y547-F571 HydrophobicContact CE2-CE2 3.8Å; Y547-F571 HydrophobicContact CG-CD2 4.37Å; Y547-F571 HydrophobicContact CG-CE2 4.36Å; Y547-F571 WeakPolarHBondContact O-CE2 3.37Å; Y547-S574 WeakPolarHBondContact CE2-OG 3.34Å; Y547-V575 HydrophobicContact CE2-CG1 4.04Å
548L89.7Confident80.2Confident73 Ų7366.1 Ų66.138%0.38232%0.318SS..Hα-helixtrans-64.1-39.8178.4-67175.5000112.2F536 N544 S545 Q551 R552F536-L548 HydrophobicContact CD2-CB 4.3Å; F536-L548 HydrophobicContact CE2-CB 3.57Å; F536-L548 HydrophobicContact CE2-CD1 3.93Å; F536-L548 HydrophobicContact CE2-CG 4.42Å; F536-L548 HydrophobicContact CZ-CB 3.72Å; F536-L548 HydrophobicContact CZ-CD1 4.19Å; N544-L548 PolarHBondContact O-N 2.93Å; S545-L548 PolarHBondContact O-N 3.02Å; L548-Q551 PolarHBondContact O-N 3.26Å; L548-R552 WeakPolarHBondContact O-CB 3.49Å; L548-R552 PolarHBondContact O-N 3.3Å
549L92.4Very high81.2Confident8 Ų862.1 Ų62.14%0.04230%0.302CS..Hα-helixtrans-59.7-50.9172.7173.963.2000111.6V397 S496 F536 S545 Y547 Q551 R552 I553V397-L549 HydrophobicContact CG2-CD2 4.37Å; S496-L549 WeakPolarHBondContact OG-CD2 3.46Å; F536-L549 HydrophobicContact CD1-CB 3.88Å; F536-L549 HydrophobicContact CD1-CD1 4.25Å; F536-L549 HydrophobicContact CE1-CB 4.09Å; S545-L549 WeakPolarHBondContact O-CB 3.46Å; S545-L549 PolarHBondContact O-N 3.13Å; Y547-L549 PolarHBondContact O-N 3.17Å; L549-Q551 VanDerWaalsContact C-N 3.27Å; L549-Q551 PolarHBondContact O-N 2.87Å; L549-R552 WeakPolarHBondContact O-CB 3.3Å; L549-R552 PolarHBondContact O-N 2.89Å; L549-I553 HydrophobicContact CD1-CD1 3.91Å; L549-I553 HydrophobicContact CD1-CG1 4.34Å; L549-I553 HydrophobicContact CG-CD1 3.98Å; L549-I553 VanDerWaalsContact O-CG1 3.3Å; L549-I553 WeakPolarHBondContact O-CG1 3.17Å; L549-I553 PolarHBondContact O-N 2.92Å
550T93.3Very high82.5Confident7 Ų757.9 Ų57.94%0.04328%0.276CS..Hα-helixtrans-63.3-38-179.9-49.70000110.6N546 Y547 I553 M554 N568 F571N546-T550 WeakPolarHBondContact O-CB 3.46Å; N546-T550 PolarHBondContact O-N 3.4Å; N546-T550 PolarHBondContact O-OG1 3.39Å; Y547-T550 PolarHBondContact O-N 2.84Å; T550-I553 PolarHBondContact O-N 3.03Å; T550-M554 HydrophobicContact CG2-CE 4.4Å; T550-M554 HydrophobicContact CG2-CG 4.3Å; T550-M554 WeakPolarHBondContact O-CB 3.49Å; T550-M554 WeakPolarHBondContact O-CG 3.48Å; T550-M554 PolarHBondContact O-N 3Å; T550-N568 HydrophobicContact CG2-CB 4.48Å; T550-N568 PolarHBondContact OG1-ND2 2.87Å; T550-F571 HydrophobicContact CG2-CB 3.92Å; T550-F571 HydrophobicContact CG2-CD1 3.5Å; T550-F571 VanDerWaalsContact CG2-CD1 3.5Å; T550-F571 HydrophobicContact CG2-CD2 3.78Å; T550-F571 HydrophobicContact CG2-CE1 3.91Å; T550-F571 HydrophobicContact CG2-CE2 4.16Å; T550-F571 HydrophobicContact CG2-CG 3.43Å; T550-F571 VanDerWaalsContact CG2-CG 3.43Å; T550-F571 HydrophobicContact CG2-CZ 4.21Å
551Q91.5Very high83.7Confident40 Ų4052.4 Ų52.419%0.18725%0.254CS..Hα-helixtrans-60.1-49.1174.4-170.3-176.3-30.900111.7Y547 L548 L549 I553 M554 E555 F571 Y582Y547-Q551 VanDerWaalsContact CE1-OE1 3.31Å; Y547-Q551 WeakPolarHBondContact O-CB 3.42Å; Y547-Q551 PolarHBondContact O-N 3.12Å; L548-Q551 PolarHBondContact O-N 3.26Å; L549-Q551 VanDerWaalsContact C-N 3.27Å; L549-Q551 PolarHBondContact O-N 2.87Å; Q551-I553 VanDerWaalsContact C-N 3.32Å; Q551-I553 PolarHBondContact O-N 2.62Å; Q551-M554 PolarHBondContact O-N 3.45Å; Q551-M554 VanDerWaalsContact O-N 3.16Å; Q551-E555 WeakPolarHBondContact CG-OE1 3.32Å; Q551-E555 PolarHBondContact NE2-OE1 3.15Å; Q551-E555 WeakPolarHBondContact O-CG 3.2Å; Q551-E555 PolarHBondContact O-N 2.97Å; Q551-F571 VanDerWaalsContact CA-CZ 3.48Å; Q551-F571 HydrophobicContact CB-CE2 3.88Å; Q551-F571 HydrophobicContact CB-CZ 3.88Å; Q551-F571 HydrophobicContact CG-CZ 4.37Å; Q551-Y582 WeakPolarHBondContact CG-OH 3.39Å
552R91.2Very high85.4Confident60 Ų6043.7 Ų43.723%0.22621%0.213CC..Hα-helixtrans-55.5-46.7177.1-172.680.785.3-164.611.4112D525 I533 L548 L549 M554 E555 V556D525-R552 HydrophobicContact CB-CG 4.38Å; D525-R552 WeakPolarHBondContact OD1-CG 3.49Å; I533-R552 VanDerWaalsContact CD1-CD 3.48Å; L548-R552 WeakPolarHBondContact O-CB 3.49Å; L548-R552 PolarHBondContact O-N 3.3Å; L549-R552 WeakPolarHBondContact O-CB 3.3Å; L549-R552 PolarHBondContact O-N 2.89Å; R552-M554 VanDerWaalsContact C-N 3.33Å; R552-M554 PolarHBondContact O-N 3.02Å; R552-E555 WeakPolarHBondContact O-CB 3.29Å; R552-E555 PolarHBondContact O-N 3.1Å; R552-V556 WeakPolarHBondContact O-CG2 3.29Å; R552-V556 PolarHBondContact O-N 2.85Å; R552-V556 VanDerWaalsContact O-N 3.12Å
553I95.2Very high86.9Confident0 Ų043.4 Ų43.40%021%0.209CC..Hα-helixtrans-62.9-42.9179.4-67.3169000110.8N394 D396 V397 A493 L549 T550 Q551 V556 G557 T564N394-I553 PolarHBondContact ND2-O 3.14Å; D396-I553 HydrophobicContact CB-CG2 4.02Å; D396-I553 VanDerWaalsContact OD1-CD1 3.23Å; D396-I553 WeakPolarHBondContact OD1-CD1 3.44Å; V397-I553 HydrophobicContact CG2-CD1 3.79Å; A493-I553 HydrophobicContact CB-CD1 3.71Å; A493-I553 HydrophobicContact CB-CG1 3.98Å; L549-I553 HydrophobicContact CD1-CD1 3.91Å; L549-I553 HydrophobicContact CD1-CG1 4.34Å; L549-I553 HydrophobicContact CG-CD1 3.98Å; L549-I553 VanDerWaalsContact O-CG1 3.3Å; L549-I553 WeakPolarHBondContact O-CG1 3.17Å; L549-I553 PolarHBondContact O-N 2.92Å; T550-I553 PolarHBondContact O-N 3.03Å; Q551-I553 VanDerWaalsContact C-N 3.32Å; Q551-I553 PolarHBondContact O-N 2.62Å; I553-V556 WeakPolarHBondContact O-CB 3.46Å; I553-V556 PolarHBondContact O-N 2.67Å; I553-G557 PolarHBondContact O-N 3.22Å; I553-G557 VanDerWaalsContact O-N 3.14Å; I553-T564 HydrophobicContact CG2-CG2 4.34Å
554M92.5Very high88.6Confident0 Ų033.4 Ų33.40%017%0.166CC..Hα-helixtrans-70.9-32.2179.8-69.2-85-16800112.6T550 Q551 R552 G557 N558 T564 T566 F571 L572 Y582 A584T550-M554 HydrophobicContact CG2-CE 4.4Å; T550-M554 HydrophobicContact CG2-CG 4.3Å; T550-M554 WeakPolarHBondContact O-CB 3.49Å; T550-M554 WeakPolarHBondContact O-CG 3.48Å; T550-M554 PolarHBondContact O-N 3Å; Q551-M554 PolarHBondContact O-N 3.45Å; Q551-M554 VanDerWaalsContact O-N 3.16Å; R552-M554 VanDerWaalsContact C-N 3.33Å; R552-M554 PolarHBondContact O-N 3.02Å; M554-G557 PolarHBondContact O-N 2.98Å; M554-N558 PolarHBondContact O-N 3.1Å; M554-T564 HydrophobicContact CE-CG2 4.02Å; M554-T564 HydrophobicContact CG-CG2 4.47Å; M554-T564 VanDerWaalsContact SD-CB 3.59Å; M554-T564 HydrophobicContact SD-CG2 3.62Å; M554-T566 HydrophobicContact CE-CG2 3.5Å; M554-T566 VanDerWaalsContact CE-CG2 3.5Å; M554-F571 HydrophobicContact CB-CE1 4.31Å; M554-F571 HydrophobicContact CE-CD1 4.21Å; M554-F571 HydrophobicContact CE-CE1 4.35Å; M554-F571 HydrophobicContact CG-CD1 4.4Å; M554-F571 HydrophobicContact CG-CE1 3.72Å; M554-F571 HydrophobicContact CG-CZ 4.39Å; M554-L572 HydrophobicContact CE-CD2 3.8Å; M554-L572 HydrophobicContact CE-CG 4.41Å; M554-Y582 HydrophobicContact CB-CD1 3.42Å; M554-Y582 VanDerWaalsContact CB-CD1 3.42Å; M554-Y582 HydrophobicContact CB-CD2 4.37Å; M554-Y582 HydrophobicContact CB-CE1 3.64Å; M554-Y582 HydrophobicContact CB-CG 3.81Å; M554-Y582 HydrophobicContact CG-CD1 4.43Å; M554-Y582 HydrophobicContact CG-CG 4.38Å; M554-Y582 HydrophobicContact SD-CG 4.43Å; M554-A584 HydrophobicContact CE-CB 3.91Å; M554-A584 HydrophobicContact SD-CB 4.25Å
555E90.2Very high89.8Confident31 Ų3128.4 Ų28.415%0.14514%0.139CC..Hα-helixtrans-61.3-45.3170.7-76.9169.8-170.600110.7Q551 R552 G557 N558 V559 Y582Q551-E555 WeakPolarHBondContact CG-OE1 3.32Å; Q551-E555 PolarHBondContact NE2-OE1 3.15Å; Q551-E555 WeakPolarHBondContact O-CG 3.2Å; Q551-E555 PolarHBondContact O-N 2.97Å; R552-E555 WeakPolarHBondContact O-CB 3.29Å; R552-E555 PolarHBondContact O-N 3.1Å; E555-G557 VanDerWaalsContact C-N 3.35Å; E555-G557 PolarHBondContact O-N 3.39Å; E555-N558 WeakPolarHBondContact O-CB 3.19Å; E555-N558 PolarHBondContact O-N 3.11Å; E555-N558 VanDerWaalsContact O-N 3.16Å; E555-V559 VanDerWaalsContact O-CG2 3.32Å; E555-V559 WeakPolarHBondContact O-CG2 3.24Å; E555-V559 PolarHBondContact O-N 3.18Å; E555-Y582 HydrophobicContact CG-CE1 4.25Å
556V92.1Very high90.4Very high0 Ų027.3 Ų27.30%013%0.132CC..Hα-helixtrans-57.7-47.1173.71730000111C490 L523 L526 R552 I553 N558 V559 L560C490-V556 HydrophobicContact CB-CB 4.36Å; C490-V556 HydrophobicContact CB-CG1 4.18Å; C490-V556 HydrophobicContact CB-CG2 3.86Å; L523-V556 HydrophobicContact CD1-CG1 4.32Å; L526-V556 HydrophobicContact CB-CG2 4.03Å; L526-V556 HydrophobicContact CD1-CG1 4.41Å; L526-V556 HydrophobicContact CG-CG2 4.33Å; R552-V556 WeakPolarHBondContact O-CG2 3.29Å; R552-V556 PolarHBondContact O-N 2.85Å; R552-V556 VanDerWaalsContact O-N 3.12Å; I553-V556 WeakPolarHBondContact O-CB 3.46Å; I553-V556 PolarHBondContact O-N 2.67Å; V556-N558 VanDerWaalsContact C-N 3.33Å; V556-N558 PolarHBondContact O-N 3Å; V556-V559 PolarHBondContact O-N 3.26Å; V556-L560 HydrophobicContact CG1-CD1 3.63Å; V556-L560 HydrophobicContact CG1-CG 4.4Å; V556-L560 WeakPolarHBondContact O-CD1 3.43Å; V556-L560 WeakPolarHBondContact O-CG 3.43Å; V556-L560 PolarHBondContact O-N 3Å; V556-L560 VanDerWaalsContact O-N 3.1Å
557G91.7Very high90.6Very high0 Ų023.9 Ų23.90%012%0.115CC..Hα-helixtrans-58-43.5175.500000113N394 I553 M554 E555 L560 E561 A562N394-G557 PolarHBondContact ND2-N 2.92Å; I553-G557 PolarHBondContact O-N 3.22Å; I553-G557 VanDerWaalsContact O-N 3.14Å; M554-G557 PolarHBondContact O-N 2.98Å; E555-G557 VanDerWaalsContact C-N 3.35Å; E555-G557 PolarHBondContact O-N 3.39Å; G557-L560 PolarHBondContact O-N 3.27Å; G557-E561 PolarHBondContact O-N 2.8Å; G557-A562 CarbonylContact C-O 3.13Å; G557-A562 PolarHBondContact O-N 2.84Å
558N86.6Confident90.7Very high40 Ų4023.1 Ų23.121%0.21412%0.115CC..Hα-helixtrans-62.2-46.3177-84.5-7.8000112.7R218 M554 E555 V556 L560 E561 Y582R218-N558 PolarHBondContact NH1-OD1 2.94Å; M554-N558 PolarHBondContact O-N 3.1Å; E555-N558 WeakPolarHBondContact O-CB 3.19Å; E555-N558 PolarHBondContact O-N 3.11Å; E555-N558 VanDerWaalsContact O-N 3.16Å; V556-N558 VanDerWaalsContact C-N 3.33Å; V556-N558 PolarHBondContact O-N 3Å; N558-L560 PolarHBondContact O-N 3.2Å; N558-E561 PolarHBondContact O-N 2.87Å; N558-E561 VanDerWaalsContact O-N 3.12Å; N558-Y582 WeakPolarHBondContact ND2-CD1 3.48Å; N558-Y582 VanDerWaalsContact ND2-CE1 3.31Å; N558-Y582 WeakPolarHBondContact ND2-CE1 3.47Å
559V86.2Confident90.6Very high20 Ų2021.1 Ų21.112%0.12111%0.11CC..Hα-helixtrans-60.7-36.3179.1171.50000111.3T283 V284 L526 N527 E555 V556 E561T283-V559 WeakPolarHBondContact OG1-CG1 3.28Å; T283-V559 PolarHBondContact OG1-O 3.39Å; V284-V559 HydrophobicContact CG2-CG1 4.39Å; L526-V559 HydrophobicContact CB-CG2 4.48Å; L526-V559 HydrophobicContact CD1-CB 4.35Å; L526-V559 HydrophobicContact CD1-CG1 3.87Å; N527-V559 WeakPolarHBondContact O-CG2 3.4Å; E555-V559 VanDerWaalsContact O-CG2 3.32Å; E555-V559 WeakPolarHBondContact O-CG2 3.24Å; E555-V559 PolarHBondContact O-N 3.18Å; V556-V559 PolarHBondContact O-N 3.26Å; V559-E561 VanDerWaalsContact C-N 3.28Å; V559-E561 PolarHBondContact O-N 3.26Å
560L85.4Confident90.4Very high1 Ų122.4 Ų22.41%0.00513%0.125CC..THydrogen-bonded Turntrans-85.20.7-179.7-58.9169.8000113.4V284 R392 V488 L523 L526 V556 G557 N558 A562V284-L560 HydrophobicContact CB-CD2 3.89Å; V284-L560 HydrophobicContact CG2-CD2 4.25Å; R392-L560 VanDerWaalsContact NH1-CD2 3.3Å; V488-L560 HydrophobicContact CG2-CD1 3.8Å; L523-L560 HydrophobicContact CD1-CD1 3.3Å; L523-L560 HydrophobicContact CD1-CD2 4.29Å; L523-L560 HydrophobicContact CD1-CG 4.42Å; L526-L560 HydrophobicContact CD1-CD2 4.36Å; V556-L560 HydrophobicContact CG1-CD1 3.63Å; V556-L560 HydrophobicContact CG1-CG 4.4Å; V556-L560 WeakPolarHBondContact O-CD1 3.43Å; V556-L560 WeakPolarHBondContact O-CG 3.43Å; V556-L560 PolarHBondContact O-N 3Å; V556-L560 VanDerWaalsContact O-N 3.1Å; G557-L560 PolarHBondContact O-N 3.27Å; N558-L560 PolarHBondContact O-N 3.2Å; L560-A562 HydrophobicContact CB-CB 4.04Å; L560-A562 PolarHBondContact O-N 3.17Å; L560-A562 VanDerWaalsContact O-N 3.14Å
561E82.2Confident90.2Very high108 Ų10822.3 Ų22.351%0.50512%0.124SC..THydrogen-bonded Turntrans52.828-169.8-56.5-174.2162.300113.3G557 N558 V559G557-E561 PolarHBondContact O-N 2.8Å; N558-E561 PolarHBondContact O-N 2.87Å; N558-E561 VanDerWaalsContact O-N 3.12Å; V559-E561 VanDerWaalsContact C-N 3.28Å; V559-E561 PolarHBondContact O-N 3.26Å
562A87.1Confident90Very high1 Ų121 Ų211%0.00812%0.118CC..PPolyproline II helixtrans-97.7137.1-176.300000110.7R392 N394 G557 L560 T564R392-A562 HydrophobicContact CB-CB 3.93Å; R392-A562 WeakPolarHBondContact O-CB 3.49Å; N394-A562 HydrophobicContact CB-CB 4.13Å; G557-A562 CarbonylContact C-O 3.13Å; G557-A562 PolarHBondContact O-N 2.84Å; L560-A562 HydrophobicContact CB-CB 4.04Å; L560-A562 PolarHBondContact O-N 3.17Å; L560-A562 VanDerWaalsContact O-N 3.14Å; A562-T564 PolarHBondContact O-N 2.84Å
563L89.5Confident89.5Confident22 Ų2226.2 Ų26.212%0.11514%0.138CC..EExtended strand (participates in β ladder)trans-64133.6168.1-170.367.9000108.8I393 N394 L585I393-L563 HydrophobicContact CG1-CB 4.33Å; I393-L563 VanDerWaalsContact CG1-O 3.24Å; I393-L563 WeakPolarHBondContact CG1-O 3.3Å; N394-L563 PolarHBondContact N-O 2.98Å; L563-L585 HydrophobicContact CD2-CB 3.73Å; L563-L585 HydrophobicContact CG-CB 4.17Å
564T93.7Very high89Confident1 Ų128.2 Ų28.21%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-93.1119.2174.8-59.80000110.5N394 D396 I553 M554 A562 S583 A584 L585N394-T564 PolarHBondContact ND2-OG1 2.94Å; N394-T564 CarbonylContact O-C 3.57Å; N394-T564 VanDerWaalsContact O-CA 3.32Å; N394-T564 WeakPolarHBondContact O-CA 3.28Å; D396-T564 HydrophobicContact CB-CG2 4.16Å; I553-T564 HydrophobicContact CG2-CG2 4.34Å; M554-T564 HydrophobicContact CE-CG2 4.02Å; M554-T564 HydrophobicContact CG-CG2 4.47Å; M554-T564 VanDerWaalsContact SD-CB 3.59Å; M554-T564 HydrophobicContact SD-CG2 3.62Å; A562-T564 PolarHBondContact O-N 2.84Å; T564-S583 PolarHBondContact N-O 3.34Å; T564-A584 CarbonylContact O-C 3.47Å; T564-A584 WeakPolarHBondContact O-CA 3.3Å; T564-A584 WeakPolarHBondContact O-CB 3.15Å; T564-L585 PolarHBondContact O-N 3.43Å
565I95.2Very high88.6Confident0 Ų028.3 Ų28.30%015%0.152CC..EExtended strand (participates in β ladder)trans-78.3125.7170.6-58.5-173.8000108.6I393 N394 L395 D396 A399 L482 L585 L587I393-I565 HydrophobicContact CD1-CD1 3.69Å; I393-I565 HydrophobicContact CD1-CG1 3.8Å; I393-I565 HydrophobicContact CG1-CD1 4.11Å; I393-I565 HydrophobicContact CG1-CG1 3.92Å; N394-I565 PolarHBondContact O-N 2.93Å; L395-I565 HydrophobicContact CD2-CB 4.09Å; L395-I565 HydrophobicContact CD2-CD1 3.87Å; L395-I565 HydrophobicContact CD2-CG1 4.21Å; D396-I565 WeakPolarHBondContact CB-O 3.46Å; D396-I565 PolarHBondContact N-O 2.78Å; A399-I565 HydrophobicContact CB-CB 3.99Å; A399-I565 HydrophobicContact CB-CG2 3.61Å; A399-I565 WeakPolarHBondContact CB-O 3.46Å; L482-I565 HydrophobicContact CG-CD1 4.27Å; I565-L585 HydrophobicContact CD1-CD2 4.19Å; I565-L585 HydrophobicContact CG1-CB 4.28Å; I565-L585 HydrophobicContact CG1-CD2 3.96Å; I565-L585 HydrophobicContact CG2-CD2 4.25Å; I565-L587 HydrophobicContact CG2-CD1 3.21Å; I565-L587 HydrophobicContact CG2-CG 3.72Å
566T95Very high87.9Confident0 Ų034.8 Ų34.80%018%0.175CC..EExtended strand (participates in β ladder)trans-151.5160.6177.2-175.30000111.2D396 S398 M554 N568 L572 A584 L585 L586 L587D396-T566 WeakPolarHBondContact OD2-CB 3.29Å; D396-T566 PolarHBondContact OD2-OG1 3.08Å; S398-T566 WeakPolarHBondContact OG-CA 3.18Å; S398-T566 PolarHBondContact OG-OG1 3.42Å; S398-T566 VanDerWaalsContact OG-OG1 3.12Å; M554-T566 HydrophobicContact CE-CG2 3.5Å; M554-T566 VanDerWaalsContact CE-CG2 3.5Å; T566-N568 WeakPolarHBondContact OG1-CB 3.49Å; T566-N568 PolarHBondContact OG1-N 3.31Å; T566-L572 HydrophobicContact CG2-CD1 4.28Å; T566-A584 HydrophobicContact CG2-CB 4.03Å; T566-L585 PolarHBondContact N-O 3.48Å; T566-L585 VanDerWaalsContact O-O 3.05Å; T566-L586 CarbonylContact O-C 3.56Å; T566-L586 VanDerWaalsContact O-CA 3.28Å; T566-L586 WeakPolarHBondContact O-CA 3.36Å; T566-L587 PolarHBondContact O-N 3.33Å
567S93.5Very high87Confident20 Ų2043.7 Ų43.714%0.1421%0.214CC..SBendtrans-103.51.1164.3-51.80000112.6S398 A569 L587 P588S398-S567 PolarHBondContact OG-N 3.31Å; S567-A569 VanDerWaalsContact C-N 3.31Å; S567-A569 PolarHBondContact O-N 2.96Å; S567-L587 WeakPolarHBondContact CA-O 3.39Å; S567-L587 WeakPolarHBondContact CB-O 3.28Å; S567-L587 PolarHBondContact OG-O 3.15Å; S567-P588 PolarHBondContact OG-O 2.82Å
568N91.2Very high86.1Confident53 Ų5346.5 Ų46.528%0.28323%0.234SC..  trans-83.367.1-174-164.5-10.6000112.9T550 T566 G570 F571 L572T550-N568 HydrophobicContact CG2-CB 4.48Å; T550-N568 PolarHBondContact OG1-ND2 2.87Å; T566-N568 WeakPolarHBondContact OG1-CB 3.49Å; T566-N568 PolarHBondContact OG1-N 3.31Å; N568-G570 PolarHBondContact O-N 3.46Å; N568-F571 HydrophobicContact CB-CB 4.18Å; N568-F571 VanDerWaalsContact CG-CB 3.41Å; N568-F571 WeakPolarHBondContact ND2-CB 3.34Å; N568-F571 PolarHBondContact O-N 2.96Å; N568-F571 WeakPolarHBondContact OD1-CB 3.26Å; N568-F571 PolarHBondContact OD1-N 3.26Å; N568-L572 PolarHBondContact O-N 3.05Å
569A87.8Confident85.1Confident32 Ų3251.6 Ų51.626%0.26426%0.261SS..Hα-helixtrans-60-27.6174.900000113.2S567 R573 L586S567-A569 VanDerWaalsContact C-N 3.31Å; S567-A569 PolarHBondContact O-N 2.96Å; A569-R573 WeakPolarHBondContact O-CG 3.27Å; A569-R573 PolarHBondContact O-N 3.28Å; A569-R573 PolarHBondContact O-NE 3.01Å; A569-L586 HydrophobicContact CB-CD1 3.73Å; A569-L586 HydrophobicContact CB-CD2 3.77Å; A569-L586 HydrophobicContact CB-CG 4.43Å
570G87Confident84.5Confident35 Ų3553.9 Ų53.936%0.36127%0.272SS..Hα-helixtrans-61.6-48.2175.600000111.8N568 R573 S574N568-G570 PolarHBondContact O-N 3.46Å; G570-R573 PolarHBondContact O-N 3.35Å; G570-S574 PolarHBondContact O-N 2.68Å; G570-S574 PolarHBondContact O-OG 3.33Å
571F90.2Very high83.8Confident5 Ų561.3 Ų61.32%0.02230%0.3CS..Hα-helixtrans-57.8-51.2175175-95.2000111.5Y547 T550 Q551 M554 N568 R573 S574 V575 Y582Y547-F571 AromaticContact CD2-CD2 3.7Å; Y547-F571 HydrophobicContact CD2-CD2 3.7Å; Y547-F571 AromaticContact CD2-CE2 3.9Å; Y547-F571 HydrophobicContact CD2-CE2 3.9Å; Y547-F571 AromaticContact CE2-CD2 3.89Å; Y547-F571 HydrophobicContact CE2-CD2 3.89Å; Y547-F571 AromaticContact CE2-CE2 3.8Å; Y547-F571 HydrophobicContact CE2-CE2 3.8Å; Y547-F571 HydrophobicContact CG-CD2 4.37Å; Y547-F571 HydrophobicContact CG-CE2 4.36Å; Y547-F571 WeakPolarHBondContact O-CE2 3.37Å; T550-F571 HydrophobicContact CG2-CB 3.92Å; T550-F571 HydrophobicContact CG2-CD1 3.5Å; T550-F571 VanDerWaalsContact CG2-CD1 3.5Å; T550-F571 HydrophobicContact CG2-CD2 3.78Å; T550-F571 HydrophobicContact CG2-CE1 3.91Å; T550-F571 HydrophobicContact CG2-CE2 4.16Å; T550-F571 HydrophobicContact CG2-CG 3.43Å; T550-F571 VanDerWaalsContact CG2-CG 3.43Å; T550-F571 HydrophobicContact CG2-CZ 4.21Å; Q551-F571 VanDerWaalsContact CA-CZ 3.48Å; Q551-F571 HydrophobicContact CB-CE2 3.88Å; Q551-F571 HydrophobicContact CB-CZ 3.88Å; Q551-F571 HydrophobicContact CG-CZ 4.37Å; M554-F571 HydrophobicContact CB-CE1 4.31Å; M554-F571 HydrophobicContact CE-CD1 4.21Å; M554-F571 HydrophobicContact CE-CE1 4.35Å; M554-F571 HydrophobicContact CG-CD1 4.4Å; M554-F571 HydrophobicContact CG-CE1 3.72Å; M554-F571 HydrophobicContact CG-CZ 4.39Å; N568-F571 HydrophobicContact CB-CB 4.18Å; N568-F571 VanDerWaalsContact CG-CB 3.41Å; N568-F571 WeakPolarHBondContact ND2-CB 3.34Å; N568-F571 PolarHBondContact O-N 2.96Å; N568-F571 WeakPolarHBondContact OD1-CB 3.26Å; N568-F571 PolarHBondContact OD1-N 3.26Å; F571-R573 VanDerWaalsContact C-N 3.26Å; F571-R573 PolarHBondContact O-N 2.8Å; F571-S574 WeakPolarHBondContact CA-OG 3.36Å; F571-S574 PolarHBondContact O-N 2.95Å; F571-S574 PolarHBondContact O-OG 3.26Å; F571-V575 HydrophobicContact CD1-CG1 4.19Å; F571-V575 HydrophobicContact CD2-CG1 4.09Å; F571-V575 HydrophobicContact CE1-CG1 3.67Å; F571-V575 HydrophobicContact CE1-CG2 4.3Å; F571-V575 HydrophobicContact CE2-CG1 3.57Å; F571-V575 HydrophobicContact CG-CG1 4.38Å; F571-V575 HydrophobicContact CZ-CG1 3.34Å; F571-V575 WeakPolarHBondContact O-CG2 3.45Å; F571-V575 PolarHBondContact O-N 2.88Å; F571-Y582 AromaticContact CE1-CD2 3.83Å; F571-Y582 HydrophobicContact CE1-CD2 3.83Å; F571-Y582 HydrophobicContact CE1-CE2 4.07Å; F571-Y582 HydrophobicContact CZ-CD2 4.15Å; F571-Y582 AromaticContact CZ-CE2 3.9Å; F571-Y582 HydrophobicContact CZ-CE2 3.9Å
572L85.7Confident83.8Confident13 Ų1357.2 Ų57.27%0.06828%0.28CS..Hα-helixtrans-59.7-33.7179.8-65.2175.3000113.2M554 T566 N568 V575 R576 A584M554-L572 HydrophobicContact CE-CD2 3.8Å; M554-L572 HydrophobicContact CE-CG 4.41Å; T566-L572 HydrophobicContact CG2-CD1 4.28Å; N568-L572 PolarHBondContact O-N 3.05Å; L572-V575 WeakPolarHBondContact O-CG2 3.44Å; L572-R576 VanDerWaalsContact O-CG 3.29Å; L572-R576 WeakPolarHBondContact O-CG 3.31Å; L572-A584 HydrophobicContact CD1-CB 3.71Å; L572-A584 HydrophobicContact CD2-CB 3.86Å; L572-A584 HydrophobicContact CG-CB 4.4Å
573R82.6Confident83.4Confident168 Ų16857.5 Ų57.563%0.63428%0.282SS*.Hα-helixtrans-70.8-37.6172.7-73.9-176.2-68.2-175.90.2112.4A569 G570 F571A569-R573 WeakPolarHBondContact O-CG 3.27Å; A569-R573 PolarHBondContact O-N 3.28Å; A569-R573 PolarHBondContact O-NE 3.01Å; G570-R573 PolarHBondContact O-N 3.35Å; F571-R573 VanDerWaalsContact C-N 3.26Å; F571-R573 PolarHBondContact O-N 2.8Å
574S84.8Confident83.3Confident42 Ų4257.7 Ų57.729%0.29429%0.287SS..Hα-helixtrans-69.6-44.9-179.766.40000112.8Y547 G570 F571 R576 K577Y547-S574 WeakPolarHBondContact CE2-OG 3.34Å; G570-S574 PolarHBondContact O-N 2.68Å; G570-S574 PolarHBondContact O-OG 3.33Å; F571-S574 WeakPolarHBondContact CA-OG 3.36Å; F571-S574 PolarHBondContact O-N 2.95Å; F571-S574 PolarHBondContact O-OG 3.26Å; S574-R576 VanDerWaalsContact C-N 3.33Å; S574-R576 PolarHBondContact O-N 2.84Å; S574-K577 WeakPolarHBondContact O-CB 3.34Å; S574-K577 PolarHBondContact O-N 3.49Å; S574-K577 VanDerWaalsContact O-N 3.07Å
575V84Confident82.9Confident2 Ų258.1 Ų58.11%0.01229%0.289CS..Hα-helixtrans-66.3-32.1-179.4-64.60000113.2Y547 F571 L572 K577 S578 N579 L580 Y582Y547-V575 HydrophobicContact CE2-CG1 4.04Å; F571-V575 HydrophobicContact CD1-CG1 4.19Å; F571-V575 HydrophobicContact CD2-CG1 4.09Å; F571-V575 HydrophobicContact CE1-CG1 3.67Å; F571-V575 HydrophobicContact CE1-CG2 4.3Å; F571-V575 HydrophobicContact CE2-CG1 3.57Å; F571-V575 HydrophobicContact CG-CG1 4.38Å; F571-V575 HydrophobicContact CZ-CG1 3.34Å; F571-V575 WeakPolarHBondContact O-CG2 3.45Å; F571-V575 PolarHBondContact O-N 2.88Å; L572-V575 WeakPolarHBondContact O-CG2 3.44Å; V575-K577 PolarHBondContact O-N 2.89Å; V575-S578 WeakPolarHBondContact CA-OG 3.46Å; V575-S578 CarbonylContact O-C 3.58Å; V575-S578 WeakPolarHBondContact O-CA 3.25Å; V575-S578 PolarHBondContact O-N 3.29Å; V575-S578 PolarHBondContact O-OG 3.46Å; V575-N579 PolarHBondContact O-N 3.17Å; V575-L580 CarbonylContact C-O 3.48Å; V575-L580 HydrophobicContact CB-CB 4.14Å; V575-L580 PolarHBondContact O-N 3.31Å; V575-Y582 HydrophobicContact CB-CD2 4.06Å; V575-Y582 HydrophobicContact CB-CE2 4.11Å; V575-Y582 HydrophobicContact CG1-CD2 4.12Å; V575-Y582 HydrophobicContact CG1-CE2 3.89Å; V575-Y582 HydrophobicContact CG2-CD2 3.81Å; V575-Y582 HydrophobicContact CG2-CE2 4.37Å
576R74.4Confident82.6Confident167 Ų16762.5 Ų62.563%0.6331%0.312SS*.Hα-helixtrans-57.9-29.9172.2-77176.3-169.7134.61.8112.8L572 S574 S578L572-R576 VanDerWaalsContact O-CG 3.29Å; L572-R576 WeakPolarHBondContact O-CG 3.31Å; S574-R576 VanDerWaalsContact C-N 3.33Å; S574-R576 PolarHBondContact O-N 2.84Å; R576-S578 VanDerWaalsContact C-N 3.29Å
577K73.4Confident82.4Confident188 Ų18862.9 Ų62.982%0.81731%0.314SS*.Hα-helixtrans-73-23.4174.8-61.7-176.5176.9-175.90112.8S574 V575S574-K577 WeakPolarHBondContact O-CB 3.34Å; S574-K577 PolarHBondContact O-N 3.49Å; S574-K577 VanDerWaalsContact O-N 3.07Å; V575-K577 PolarHBondContact O-N 2.89Å
578S73.6Confident82.3Confident58 Ų5863.8 Ų63.841%0.40632%0.32SS..THydrogen-bonded Turntrans-93.912178.561.20000113.8V575 R576 L580V575-S578 WeakPolarHBondContact CA-OG 3.46Å; V575-S578 CarbonylContact O-C 3.58Å; V575-S578 WeakPolarHBondContact O-CA 3.25Å; V575-S578 PolarHBondContact O-N 3.29Å; V575-S578 PolarHBondContact O-OG 3.46Å; R576-S578 VanDerWaalsContact C-N 3.29Å; S578-L580 PolarHBondContact O-N 2.89Å
579N65.8Low82.3Confident147 Ų14763.5 Ų63.579%0.78632%0.324SS*.THydrogen-bonded Turntrans58.68.3-173.1-66.1-27.6000115.6V575V575-N579 PolarHBondContact O-N 3.17Å
580L73Confident82.6Confident68 Ų6862.9 Ų62.936%0.35632%0.315SS..  trans-77.8129.1168.8-64.9176.5000109.2V575 S578 Y582V575-L580 CarbonylContact C-O 3.48Å; V575-L580 HydrophobicContact CB-CB 4.14Å; V575-L580 PolarHBondContact O-N 3.31Å; S578-L580 PolarHBondContact O-N 2.89Å; L580-Y582 HydrophobicContact CB-CE2 3.98Å; L580-Y582 HydrophobicContact CD1-CE2 4.32Å
581R70.5Confident83Confident157 Ų15762.5 Ų62.559%0.59231%0.308SS*.  trans-109.8133.3174.7-61.2-176.9-180-178.91.8107.5W215W215-R581 HydrophobicContact CH2-CB 3.32Å; W215-R581 WeakPolarHBondContact CH2-O 3.46Å; W215-R581 HydrophobicContact CZ2-CB 3.21Å; W215-R581 HydrophobicContact CZ2-CG 4.42Å; W215-R581 HydrophobicContact CZ3-CB 3.92Å
582Y82.1Confident83.3Confident23 Ų2362.6 Ų62.69%0.0931%0.309CS..  trans-131.7132.6175.3-70-69.4000110.4W215 Q551 M554 E555 N558 F571 V575 L580W215-Y582 VanDerWaalsContact CH2-N 3.3Å; W215-Y582 WeakPolarHBondContact CZ3-O 3.27Å; Q551-Y582 WeakPolarHBondContact CG-OH 3.39Å; M554-Y582 HydrophobicContact CB-CD1 3.42Å; M554-Y582 VanDerWaalsContact CB-CD1 3.42Å; M554-Y582 HydrophobicContact CB-CD2 4.37Å; M554-Y582 HydrophobicContact CB-CE1 3.64Å; M554-Y582 HydrophobicContact CB-CG 3.81Å; M554-Y582 HydrophobicContact CG-CD1 4.43Å; M554-Y582 HydrophobicContact CG-CG 4.38Å; M554-Y582 HydrophobicContact SD-CG 4.43Å; E555-Y582 HydrophobicContact CG-CE1 4.25Å; N558-Y582 WeakPolarHBondContact ND2-CD1 3.48Å; N558-Y582 VanDerWaalsContact ND2-CE1 3.31Å; N558-Y582 WeakPolarHBondContact ND2-CE1 3.47Å; F571-Y582 AromaticContact CE1-CD2 3.83Å; F571-Y582 HydrophobicContact CE1-CD2 3.83Å; F571-Y582 HydrophobicContact CE1-CE2 4.07Å; F571-Y582 HydrophobicContact CZ-CD2 4.15Å; F571-Y582 AromaticContact CZ-CE2 3.9Å; F571-Y582 HydrophobicContact CZ-CE2 3.9Å; V575-Y582 HydrophobicContact CB-CD2 4.06Å; V575-Y582 HydrophobicContact CB-CE2 4.11Å; V575-Y582 HydrophobicContact CG1-CD2 4.12Å; V575-Y582 HydrophobicContact CG1-CE2 3.89Å; V575-Y582 HydrophobicContact CG2-CD2 3.81Å; V575-Y582 HydrophobicContact CG2-CE2 4.37Å; L580-Y582 HydrophobicContact CB-CE2 3.98Å; L580-Y582 HydrophobicContact CD1-CE2 4.32Å
583S78.7Confident83.7Confident7 Ų762 Ų625%0.04931%0.306CS..  trans-89.2114.4-177.6-55.60000107.3W215 R218 T564W215-S583 WeakPolarHBondContact CZ3-OG 3.27Å; R218-S583 WeakPolarHBondContact CD-OG 3.3Å; R218-S583 PolarHBondContact NH1-OG 3.1Å; T564-S583 PolarHBondContact N-O 3.34Å
584A86.2Confident84.1Confident26 Ų2656 Ų5622%0.21529%0.285CS..EExtended strand (participates in β ladder)trans-137.7141.1-175.800000111.9M554 T564 T566 L572M554-A584 HydrophobicContact CE-CB 3.91Å; M554-A584 HydrophobicContact SD-CB 4.25Å; T564-A584 CarbonylContact O-C 3.47Å; T564-A584 WeakPolarHBondContact O-CA 3.3Å; T564-A584 WeakPolarHBondContact O-CB 3.15Å; T566-A584 HydrophobicContact CG2-CB 4.03Å; L572-A584 HydrophobicContact CD1-CB 3.71Å; L572-A584 HydrophobicContact CD2-CB 3.86Å; L572-A584 HydrophobicContact CG-CB 4.4Å
585L86.9Confident84.4Confident9 Ų957.9 Ų57.95%0.04730%0.295CS..EExtended strand (participates in β ladder)trans-86.6120.7161.6-178.878.7000107.7Y481 L563 T564 I565 T566 L587Y481-L585 HydrophobicContact CD1-CD1 4.08Å; Y481-L585 HydrophobicContact CD1-CD2 4.46Å; Y481-L585 HydrophobicContact CD2-CD1 3.66Å; Y481-L585 HydrophobicContact CD2-CD2 3.05Å; Y481-L585 HydrophobicContact CD2-CG 3.95Å; Y481-L585 HydrophobicContact CE1-CD1 3.78Å; Y481-L585 HydrophobicContact CE2-CD1 3.3Å; Y481-L585 HydrophobicContact CE2-CD2 3.5Å; Y481-L585 VanDerWaalsContact CE2-CD2 3.5Å; Y481-L585 HydrophobicContact CE2-CG 3.97Å; Y481-L585 HydrophobicContact CG-CD1 4.02Å; Y481-L585 HydrophobicContact CG-CD2 3.61Å; Y481-L585 HydrophobicContact CG-CG 4.4Å; L563-L585 HydrophobicContact CD2-CB 3.73Å; L563-L585 HydrophobicContact CG-CB 4.17Å; T564-L585 PolarHBondContact O-N 3.43Å; I565-L585 HydrophobicContact CD1-CD2 4.19Å; I565-L585 HydrophobicContact CG1-CB 4.28Å; I565-L585 HydrophobicContact CG1-CD2 3.96Å; I565-L585 HydrophobicContact CG2-CD2 4.25Å; T566-L585 PolarHBondContact N-O 3.48Å; T566-L585 VanDerWaalsContact O-O 3.05Å; L585-L587 HydrophobicContact CD2-CD2 3.8Å; L585-L587 HydrophobicContact CD2-CG 4.22Å; L585-L587 HydrophobicContact CG-CD2 4.35Å
586L89.2Confident84.7Confident93 Ų9358.7 Ų58.749%0.48730%0.3SS..EExtended strand (participates in β ladder)trans-88122.8174.6-173.368.5000110.4T566 A569T566-L586 CarbonylContact O-C 3.56Å; T566-L586 VanDerWaalsContact O-CA 3.28Å; T566-L586 WeakPolarHBondContact O-CA 3.36Å; A569-L586 HydrophobicContact CB-CD1 3.73Å; A569-L586 HydrophobicContact CB-CD2 3.77Å; A569-L586 HydrophobicContact CB-CG 4.43Å
587L90.2Very high85.1Confident7 Ų754.9 Ų54.94%0.03730%0.297CS..  trans-104.6153171.1-64.9-177.6000111.5V474 M478 I565 T566 S567 L585 A589V474-L587 HydrophobicContact CG2-CB 4.21Å; V474-L587 HydrophobicContact CG2-CD1 3.98Å; M478-L587 HydrophobicContact CE-CD1 3.33Å; M478-L587 HydrophobicContact CG-CD1 3.55Å; M478-L587 HydrophobicContact SD-CD1 4.29Å; I565-L587 HydrophobicContact CG2-CD1 3.21Å; I565-L587 HydrophobicContact CG2-CG 3.72Å; T566-L587 PolarHBondContact O-N 3.33Å; S567-L587 WeakPolarHBondContact CA-O 3.39Å; S567-L587 WeakPolarHBondContact CB-O 3.28Å; S567-L587 PolarHBondContact OG-O 3.15Å; L585-L587 HydrophobicContact CD2-CD2 3.8Å; L585-L587 HydrophobicContact CD2-CG 4.22Å; L585-L587 HydrophobicContact CG-CD2 4.35Å; L587-A589 PolarHBondContact O-N 3.36Å
588P90.1Very high85.6Confident40 Ų4049 Ų4926%0.2627%0.269SS..  trans-51.3137.9163.8-24.935.3000110.8V472 S567 R590V472-P588 HydrophobicContact CB-CG 4.4Å; V472-P588 HydrophobicContact CG1-CG 4.08Å; S567-P588 PolarHBondContact OG-O 2.82Å; P588-R590 VanDerWaalsContact CB-NH1 3.29Å
589A92.2Very high85.7Confident46 Ų4650.3 Ų50.338%0.3827%0.272SS..  trans-69.2142.5178.700000111L587L587-A589 PolarHBondContact O-N 3.36Å
590R94.7Very high85.7Confident19 Ų1949.3 Ų49.37%0.07227%0.271CS..  trans-128.9160.4173.6-61-62.5175.5-1127.5110.3I401 A402 S468 E469 V472 V474 P588I401-R590 WeakPolarHBondContact CG2-O 3.36Å; A402-R590 HydrophobicContact CB-CB 3.95Å; A402-R590 HydrophobicContact CB-CG 3.9Å; S468-R590 PolarHBondContact O-NH2 2.99Å; S468-R590 VanDerWaalsContact O-NH2 3.16Å; S468-R590 PolarHBondContact OG-NH1 3.38Å; E469-R590 IonicContact OE2-CZ 3.19Å; E469-R590 IonicContact OE2-NE 2.7Å; E469-R590 PolarHBondContact OE2-NE 3.2Å; E469-R590 IonicContact OE2-NH2 2.88Å; E469-R590 PolarHBondContact OE2-NH2 2.96Å; V472-R590 PolarHBondContact O-NH2 2.83Å; V474-R590 HydrophobicContact CB-CG 4.23Å; V474-R590 HydrophobicContact CG1-CG 4Å; V474-R590 HydrophobicContact CG2-CG 4.37Å; P588-R590 VanDerWaalsContact CB-NH1 3.29Å
591A94.7Very high85Confident27 Ų2749 Ų4922%0.22328%0.284CS..  trans-129.6160.3178.600000110.3S405 L465 T593S405-A591 VanDerWaalsContact CB-O 3.29Å; S405-A591 WeakPolarHBondContact CB-O 3.43Å; S405-A591 PolarHBondContact OG-O 3.47Å; L465-A591 HydrophobicContact CD1-CB 3.81Å; A591-T593 HydrophobicContact CB-CG2 4.33Å
592L96.4Very high83.8Confident7 Ų748.7 Ų48.74%0.03729%0.294CS..  trans-79.1120.4166-58.2-173.5000107.8I401 V404 I500 L501 I504 E509I401-L592 HydrophobicContact CG2-CD2 4.02Å; I401-L592 HydrophobicContact CG2-CG 4.18Å; V404-L592 HydrophobicContact CG2-CD2 3.7Å; I500-L592 HydrophobicContact CG2-CD1 3.87Å; L501-L592 HydrophobicContact CD2-CD1 3.86Å; I504-L592 HydrophobicContact CD1-CB 3.97Å; I504-L592 HydrophobicContact CD1-CD1 4.23Å; I504-L592 HydrophobicContact CD1-CG 4.38Å; I504-L592 HydrophobicContact CG1-CB 4.21Å; I504-L592 HydrophobicContact CG1-CD1 3.99Å; E509-L592 HydrophobicContact CB-CD2 4.5Å; E509-L592 HydrophobicContact CG-CD2 4.37Å; E509-L592 VanDerWaalsContact OE1-CA 3.24Å; E509-L592 WeakPolarHBondContact OE1-CA 3.46Å; E509-L592 WeakPolarHBondContact OE2-CB 3.32Å
593T93.5Very high81.9Confident0 Ų053.3 Ų53.30%033%0.329CS..  trans-119.6-5.8-168.955.70000113.9E406 L407 L457 L465 E509 A591 T595 T596 R598E406-T593 WeakPolarHBondContact CB-OG1 3.48Å; E406-T593 VanDerWaalsContact OE2-C 3.23Å; E406-T593 WeakPolarHBondContact OE2-CB 3.15Å; E406-T593 PolarHBondContact OE2-OG1 3.07Å; L407-T593 HydrophobicContact CD1-CG2 4.35Å; L457-T593 HydrophobicContact CD1-CG2 3.93Å; L457-T593 HydrophobicContact CD2-CG2 4.47Å; L465-T593 HydrophobicContact CD1-CG2 4.18Å; E509-T593 PolarHBondContact OE1-N 2.98Å; A591-T593 HydrophobicContact CB-CG2 4.33Å; T593-T595 VanDerWaalsContact C-N 3.3Å; T593-T595 PolarHBondContact O-N 3.12Å; T593-T596 VanDerWaalsContact O-CB 3.27Å; T593-T596 WeakPolarHBondContact O-CB 3.44Å; T593-T596 PolarHBondContact O-N 3.25Å; T593-R598 PolarHBondContact O-NH2 3.31Å
594E92.2Very high79.9Confident44 Ų4457.3 Ų57.321%0.20636%0.357CS..THydrogen-bonded Turntrans-60.9-38.7-174.8-169.9172.7-179.900112.1E406 G506 P507 N508 E509E406-E594 PolarHBondContact OE2-N 3.46Å; G506-E594 VanDerWaalsContact CA-CD 3.49Å; G506-E594 VanDerWaalsContact CA-OE2 3.32Å; G506-E594 WeakPolarHBondContact CA-OE2 3.43Å; P507-E594 WeakPolarHBondContact CD-OE1 3.35Å; N508-E594 WeakPolarHBondContact CB-OE1 3.26Å; N508-E594 PolarHBondContact N-OE1 2.9Å; N508-E594 VanDerWaalsContact N-OE1 3.08Å; N508-E594 PolarHBondContact N-OE2 3.15Å; N508-E594 PolarHBondContact ND2-OE1 3.49Å; E509-E594 HydrophobicContact CG-CB 4.03Å; E509-E594 WeakPolarHBondContact CG-OE2 3.49Å; E509-E594 PolarHBondContact N-OE2 3.02Å; E509-E594 PolarHBondContact OE1-N 3.01Å; E509-E594 VanDerWaalsContact OE2-CB 3.29Å; E509-E594 WeakPolarHBondContact OE2-CB 3.22Å; E509-E594 PolarHBondContact OE2-N 3.2Å
595T91.3Very high77.4Confident81 Ų8161.5 Ų61.550%0.49739%0.385SS..THydrogen-bonded Turntrans-945176.473.80000113.7I504 T593I504-T595 WeakPolarHBondContact O-CG2 3.14Å; I504-T595 PolarHBondContact O-OG1 3.39Å; T593-T595 VanDerWaalsContact C-N 3.3Å; T593-T595 PolarHBondContact O-N 3.12Å
596T88.8Confident74.8Confident18 Ų1870.2 Ų70.211%0.1145%0.447CS..SBendtrans-71.1135.3179.7-67.90000109.7L457 F462 T593 R598L457-T596 HydrophobicContact CD2-CG2 4.08Å; F462-T596 HydrophobicContact CD2-CG2 3.5Å; F462-T596 VanDerWaalsContact CD2-CG2 3.5Å; F462-T596 HydrophobicContact CE2-CG2 3.82Å; F462-T596 HydrophobicContact CG-CG2 4.33Å; T593-T596 VanDerWaalsContact O-CB 3.27Å; T593-T596 WeakPolarHBondContact O-CB 3.44Å; T593-T596 PolarHBondContact O-N 3.25Å; T596-R598 PolarHBondContact O-N 2.94Å
597P83.7Confident74.1Confident88 Ų8869.1 Ų69.157%0.57145%0.445SS*.PPolyproline II helixtrans-54.6130.6177.1-25.934.2000111.9K458K458-P597 WeakPolarHBondContact CB-O 3.38Å; K458-P597 PolarHBondContact N-O 3.26Å; K458-P597 VanDerWaalsContact N-O 3.07Å
598R83.4Confident73.3Confident63 Ų6372.3 Ų72.324%0.23847%0.466CS..BIsolated β-bridgetrans-91.9155.1175.6-55.9-60172.7132.54.1110.4E406 H454 P455 P456 T593 T596 T600E406-R598 IonicContact OE1-CZ 3.67Å; E406-R598 IonicContact OE1-NH1 3.68Å; E406-R598 IonicContact OE1-NH2 2.78Å; E406-R598 PolarHBondContact OE1-NH2 3.44Å; E406-R598 IonicContact OE2-CZ 3.84Å; E406-R598 IonicContact OE2-NH2 2.8Å; E406-R598 PolarHBondContact OE2-NH2 3.36Å; H454-R598 PolarHBondContact CE1-NH1 2.77Å; P455-R598 PolarHBondContact O-NH1 2.94Å; P456-R598 WeakPolarHBondContact O-CA 3.48Å; P456-R598 WeakPolarHBondContact O-CD 3.37Å; T593-R598 PolarHBondContact O-NH2 3.31Å; T596-R598 PolarHBondContact O-N 2.94Å; R598-T600 PolarHBondContact O-N 2.94Å
599D75.6Confident72.3Confident87 Ų8774.1 Ų74.147%0.46548%0.478SS..  trans-71.396.6168.1-163.94.1000108.5P456 G601P456-D599 HydrophobicContact CB-CB 4.19Å; P456-D599 HydrophobicContact CG-CB 3.89Å; P456-D599 PolarHBondContact O-N 2.95Å; P456-D599 VanDerWaalsContact O-N 3.12Å; D599-G601 PolarHBondContact O-N 3.02Å
600T67Low71.2Confident125 Ų12575.8 Ų75.877%0.76748%0.483SS*.  trans-74.881.6168.955.70000106.7R598 L602R598-T600 PolarHBondContact O-N 2.94Å; T600-L602 PolarHBondContact O-N 2.89Å; T600-L602 VanDerWaalsContact O-N 3.08Å
601G58.2Low69.7Low61 Ų6179.3 Ų79.363%0.62951%0.509SS*.  trans-45.6121.5175.600000109.4D599 S603D599-G601 PolarHBondContact O-N 3.02Å; G601-S603 PolarHBondContact O-N 3.08Å
602L44.9Very low68Low152 Ų15282.8 Ų82.880%0.79653%0.528SS*.  trans-49104.5-178.1-82141.9000110.5T600 S604T600-L602 PolarHBondContact O-N 2.89Å; T600-L602 VanDerWaalsContact O-N 3.08Å; L602-S604 PolarHBondContact O-N 2.95Å
603S42Very low66Low119 Ų11988.2 Ų88.283%0.83256%0.563SS**  trans-62.182.8140.757.20000107.4G601G601-S603 PolarHBondContact O-N 3.08Å
604S37.3Very low63.9Low91 Ų9195 Ų9564%0.63661%0.607SS**  trans-127.173.9163.565.90000108.3L602L602-S604 PolarHBondContact O-N 2.95Å
605S32.5Very low61.5Low115 Ų11599.3 Ų99.380%0.80464%0.64SS**  trans-135.278.1161.961.10000108.6
606S33.8Very low58.8Low191 Ų191100.9 Ų100.9100%1.33665%0.653SS**  trans-174.80152.159.40000109.9

Retrieved 606 of 606 residues in 397.5 ms (Link to these results)

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