A0A077Z7M7_TRITR Loading...

Guanine nucleotide-binding protein G(s) subunit alpha

Guanine nucleotide-binding proteins (G proteins) function as transducers in numerous signaling pathways controlled by G protein-coupled receptors (GPCRs).

AlphaFold DB , UniProt , Accession A0A077Z7M7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 377 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
1M37.5Very low62.6Low244 Ų244131.7 Ų131.7100%1.20271%0.708SS**  0102.50-141.5-176.7-162.500107.6
2K41.9Very low64.5Low203 Ų203132.5 Ų132.588%0.88370%0.704SS**  trans161.2114.4165.3-95.2168.6-175-173.50107.5
3L49.5Very low66.2Low147 Ų147131.6 Ų131.677%0.7769%0.693SS**  trans161.5-0.7142.3-86.1153.9000115.5V5L3-V5 PolarHBondContact O-N 3.09Å; L3-V5 VanDerWaalsContact O-N 3.09Å
4C56.1Low67.9Low125 Ų125124.9 Ų124.985%0.84567%0.666SS**THydrogen-bonded Turntrans-72.35.3174.3-74.80000115.5S6C4-S6 VanDerWaalsContact C-N 3.35Å
5V54.6Low69.3Low124 Ų124126.5 Ų126.575%0.75267%0.665SS**THydrogen-bonded Turntrans-84.1-7.4-178.7-175.10000112.5L3 A9L3-V5 PolarHBondContact O-N 3.09Å; L3-V5 VanDerWaalsContact O-N 3.09Å; V5-A9 WeakPolarHBondContact O-CB 3.39Å
6S62.6Low70.7Confident80 Ų80124.5 Ų124.556%0.55965%0.651SS**Hα-helixtrans-84.5-29.5-170.360.10000116.1C4 A10C4-S6 VanDerWaalsContact C-N 3.35Å; S6-A10 WeakPolarHBondContact O-CB 3.43Å; S6-A10 PolarHBondContact O-N 3.04Å
7R68.6Low71.9Confident207 Ų207123.5 Ų123.578%0.78164%0.642SS**Hα-helixtrans-77.7-47.4-176.3-97.5-173.8171.5-179.2-2.8112.8A9 A10 D11R7-A9 VanDerWaalsContact C-N 3.29Å; R7-A9 PolarHBondContact O-N 3.43Å; R7-A10 PolarHBondContact O-N 3.19Å; R7-D11 PolarHBondContact O-N 3.26Å
8D76.2Confident73Confident115 Ų115125.3 Ų125.362%0.61564%0.644SS**Hα-helixtrans-63.8-40.1179.7-62.8-27.5000110.7A10 D11 E12D8-A10 PolarHBondContact O-N 2.95Å; D8-D11 PolarHBondContact O-N 3.37Å; D8-E12 WeakPolarHBondContact O-CB 3.33Å; D8-E12 WeakPolarHBondContact O-CG 3.32Å; D8-E12 PolarHBondContact O-N 3.45Å
9A76.9Confident74Confident50 Ų50126.6 Ų126.641%0.41364%0.64SS.*Hα-helixtrans-61.1-41174.400000112.9V5 R7 E13V5-A9 WeakPolarHBondContact O-CB 3.39Å; R7-A9 VanDerWaalsContact C-N 3.29Å; R7-A9 PolarHBondContact O-N 3.43Å; A9-E13 WeakPolarHBondContact O-CB 3.42Å; A9-E13 PolarHBondContact O-N 2.93Å
10A78.9Confident75Confident50 Ų50123 Ų12341%0.41363%0.625SS.*Hα-helixtrans-69.9-37.1178.600000112.8S6 R7 D8 E13 A14S6-A10 WeakPolarHBondContact O-CB 3.43Å; S6-A10 PolarHBondContact O-N 3.04Å; R7-A10 PolarHBondContact O-N 3.19Å; D8-A10 PolarHBondContact O-N 2.95Å; A10-E13 PolarHBondContact O-N 3.28Å; A10-A14 WeakPolarHBondContact O-CB 3.4Å; A10-A14 PolarHBondContact O-N 3.46Å
11D85.6Confident75.9Confident104 Ų104121.5 Ų121.556%0.55662%0.618SS**Hα-helixtrans-70.3-37.5175.9-85.2-7.7000112.1R7 D8 K15R7-D11 PolarHBondContact O-N 3.26Å; D8-D11 PolarHBondContact O-N 3.37Å; D11-K15 VanDerWaalsContact O-CG 3.32Å; D11-K15 WeakPolarHBondContact O-CG 3.45Å; D11-K15 PolarHBondContact O-N 3.08Å; D11-K15 VanDerWaalsContact O-N 3.08Å
12E85.8Confident78.6Confident141 Ų141116 Ų11666%0.65959%0.587SS**Hα-helixtrans-64.1-44.3171.2-76.1-172.2167.700111.4D8 A14 K15 E16D8-E12 WeakPolarHBondContact O-CB 3.33Å; D8-E12 WeakPolarHBondContact O-CG 3.32Å; D8-E12 PolarHBondContact O-N 3.45Å; E12-A14 PolarHBondContact O-N 2.95Å; E12-K15 PolarHBondContact O-N 3.11Å; E12-E16 WeakPolarHBondContact O-CB 3.48Å; E12-E16 PolarHBondContact O-N 3.33Å
13E86.6Confident81Confident121 Ų121111.2 Ų111.257%0.56557%0.568SS**Hα-helixtrans-61.9-43.1177-169.7176.6-175.700111.8A9 A10 K15 E16 Q17A9-E13 WeakPolarHBondContact O-CB 3.42Å; A9-E13 PolarHBondContact O-N 2.93Å; A10-E13 PolarHBondContact O-N 3.28Å; E13-K15 PolarHBondContact O-N 2.92Å; E13-E16 PolarHBondContact O-N 3.47Å; E13-Q17 WeakPolarHBondContact O-CB 3.33Å; E13-Q17 VanDerWaalsContact O-CG 3.32Å; E13-Q17 WeakPolarHBondContact O-CG 3.42Å; E13-Q17 PolarHBondContact O-N 3.36Å
14A89.1Confident83.1Confident38 Ų38108.2 Ų108.231%0.31455%0.552SS.*Hα-helixtrans-66.3-36.1177.200000113A10 E12 K18A10-A14 WeakPolarHBondContact O-CB 3.4Å; A10-A14 PolarHBondContact O-N 3.46Å; E12-A14 PolarHBondContact O-N 2.95Å; A14-K18 WeakPolarHBondContact O-CG 3.49Å; A14-K18 PolarHBondContact O-N 3.48Å; A14-K18 VanDerWaalsContact O-N 3.11Å
15K89.9Confident85Confident149 Ų149108.6 Ų108.665%0.64854%0.542SS*.Hα-helixtrans-67.5-42.3174-76.3173.4-173.7169.40111.3D11 E12 E13 K18 R19D11-K15 VanDerWaalsContact O-CG 3.32Å; D11-K15 WeakPolarHBondContact O-CG 3.45Å; D11-K15 PolarHBondContact O-N 3.08Å; D11-K15 VanDerWaalsContact O-N 3.08Å; E12-K15 PolarHBondContact O-N 3.11Å; E13-K15 PolarHBondContact O-N 2.92Å; K15-K18 PolarHBondContact O-N 3.47Å; K15-R19 WeakPolarHBondContact O-CB 3.37Å; K15-R19 PolarHBondContact O-N 3.39Å
16E91.5Very high86.8Confident94 Ų94106.8 Ų106.844%0.43953%0.525SS..Hα-helixtrans-66.7-43.3177.6-171.557.5-158.100111.3E12 E13 K18 R19 V20E12-E16 WeakPolarHBondContact O-CB 3.48Å; E12-E16 PolarHBondContact O-N 3.33Å; E13-E16 PolarHBondContact O-N 3.47Å; E16-K18 VanDerWaalsContact C-N 3.34Å; E16-K18 PolarHBondContact O-N 2.85Å; E16-R19 WeakPolarHBondContact O-CB 3.32Å; E16-R19 PolarHBondContact O-N 2.83Å; E16-R19 VanDerWaalsContact O-N 3.09Å; E16-R19 IonicContact OE2-NH1 2.74Å; E16-V20 HydrophobicContact CG-CG2 4.37Å; E16-V20 WeakPolarHBondContact O-CG2 3.44Å; E16-V20 PolarHBondContact O-N 3.09Å
17Q90.5Very high88.3Confident107 Ų107107.4 Ų107.450%0.552%0.519SS..Hα-helixtrans-57.4-43.9173.3-76.3177.94.700112.5E13 R19 V20 N21E13-Q17 WeakPolarHBondContact O-CB 3.33Å; E13-Q17 VanDerWaalsContact O-CG 3.32Å; E13-Q17 WeakPolarHBondContact O-CG 3.42Å; E13-Q17 PolarHBondContact O-N 3.36Å; Q17-R19 VanDerWaalsContact C-N 3.33Å; Q17-R19 PolarHBondContact O-N 2.86Å; Q17-V20 PolarHBondContact O-N 3.4Å; Q17-N21 WeakPolarHBondContact O-CB 3.36Å; Q17-N21 VanDerWaalsContact O-CG 3.29Å; Q17-N21 PolarHBondContact O-N 2.99Å
18K92Very high89.5Confident157 Ų157102.7 Ų102.768%0.68351%0.509SS*.Hα-helixtrans-63.4-38.9175.4-76.2177.4-177.2177.80112.1A14 K15 E16 K22A14-K18 WeakPolarHBondContact O-CG 3.49Å; A14-K18 PolarHBondContact O-N 3.48Å; A14-K18 VanDerWaalsContact O-N 3.11Å; K15-K18 PolarHBondContact O-N 3.47Å; E16-K18 VanDerWaalsContact C-N 3.34Å; E16-K18 PolarHBondContact O-N 2.85Å; K18-K22 WeakPolarHBondContact O-CB 3.35Å; K18-K22 PolarHBondContact O-N 3.01Å
19R92.6Very high90.3Very high149 Ų149103 Ų10356%0.56251%0.507SS*.Hα-helixtrans-65.8-46.5177.1-174.3-174.6-179.2-178.80.8111.3K15 E16 Q17 K22 Q23K15-R19 WeakPolarHBondContact O-CB 3.37Å; K15-R19 PolarHBondContact O-N 3.39Å; E16-R19 WeakPolarHBondContact O-CB 3.32Å; E16-R19 PolarHBondContact O-N 2.83Å; E16-R19 VanDerWaalsContact O-N 3.09Å; E16-R19 IonicContact OE2-NH1 2.74Å; Q17-R19 VanDerWaalsContact C-N 3.33Å; Q17-R19 PolarHBondContact O-N 2.86Å; R19-K22 PolarHBondContact O-N 3.43Å; R19-Q23 WeakPolarHBondContact O-CG 3.32Å; R19-Q23 PolarHBondContact O-N 2.99Å
20V92.8Very high91Very high55 Ų55106.3 Ų106.333%0.33351%0.512SS..Hα-helixtrans-62.5-47.7176.9171.80000110.6E16 Q17 K22 Q23 I24E16-V20 HydrophobicContact CG-CG2 4.37Å; E16-V20 WeakPolarHBondContact O-CG2 3.44Å; E16-V20 PolarHBondContact O-N 3.09Å; Q17-V20 PolarHBondContact O-N 3.4Å; V20-K22 VanDerWaalsContact C-N 3.34Å; V20-K22 PolarHBondContact O-N 3.24Å; V20-Q23 PolarHBondContact O-N 2.99Å; V20-Q23 VanDerWaalsContact O-N 3.14Å; V20-I24 HydrophobicContact CG1-CD1 3.73Å; V20-I24 HydrophobicContact CG1-CG1 4.35Å; V20-I24 VanDerWaalsContact O-CG1 3.3Å; V20-I24 WeakPolarHBondContact O-CG1 3.38Å; V20-I24 PolarHBondContact O-N 3.45Å
21N94Very high91.6Very high92 Ų92107.3 Ų107.349%0.49251%0.51SS..Hα-helixtrans-59.1-44.2177.2-77.1-15.4000112Q17 Q23 I24 E25Q17-N21 WeakPolarHBondContact O-CB 3.36Å; Q17-N21 VanDerWaalsContact O-CG 3.29Å; Q17-N21 PolarHBondContact O-N 2.99Å; N21-Q23 VanDerWaalsContact C-N 3.34Å; N21-Q23 PolarHBondContact O-N 3.39Å; N21-I24 PolarHBondContact O-N 3.14Å; N21-E25 WeakPolarHBondContact O-CG 3.15Å; N21-E25 PolarHBondContact O-N 3.39Å
22K94.1Very high91.8Very high127 Ų127108.2 Ų108.255%0.55251%0.509SS*.Hα-helixtrans-61-42.3175.6-175.1179.6175.9-174.80112K18 R19 V20 E25 E26K18-K22 WeakPolarHBondContact O-CB 3.35Å; K18-K22 PolarHBondContact O-N 3.01Å; R19-K22 PolarHBondContact O-N 3.43Å; V20-K22 VanDerWaalsContact C-N 3.34Å; V20-K22 PolarHBondContact O-N 3.24Å; K22-E25 PolarHBondContact O-N 2.9Å; K22-E26 WeakPolarHBondContact CE-OE1 3.42Å; K22-E26 WeakPolarHBondContact O-CG 3.3Å; K22-E26 PolarHBondContact O-N 2.87Å
23Q94.2Very high91.8Very high103 Ų103107.2 Ų107.248%0.48150%0.504SS..Hα-helixtrans-64.6-39.5176.1-74177.6-900112.3R19 V20 N21 Q27R19-Q23 WeakPolarHBondContact O-CG 3.32Å; R19-Q23 PolarHBondContact O-N 2.99Å; V20-Q23 PolarHBondContact O-N 2.99Å; V20-Q23 VanDerWaalsContact O-N 3.14Å; N21-Q23 VanDerWaalsContact C-N 3.34Å; N21-Q23 PolarHBondContact O-N 3.39Å; Q23-Q27 WeakPolarHBondContact O-CB 3.27Å; Q23-Q27 PolarHBondContact O-N 2.98Å
24I93.6Very high91.9Very high85 Ų85105 Ų10544%0.43650%0.496SS..Hα-helixtrans-63-46.6175-68.4167.5000110.3V20 N21 Q27 L28V20-I24 HydrophobicContact CG1-CD1 3.73Å; V20-I24 HydrophobicContact CG1-CG1 4.35Å; V20-I24 VanDerWaalsContact O-CG1 3.3Å; V20-I24 WeakPolarHBondContact O-CG1 3.38Å; V20-I24 PolarHBondContact O-N 3.45Å; N21-I24 PolarHBondContact O-N 3.14Å; I24-Q27 PolarHBondContact O-N 3.27Å; I24-L28 HydrophobicContact CG2-CD1 3.83Å; I24-L28 HydrophobicContact CG2-CG 4.24Å; I24-L28 WeakPolarHBondContact O-CB 3.38Å; I24-L28 VanDerWaalsContact O-CG 3.27Å; I24-L28 WeakPolarHBondContact O-CG 3.3Å; I24-L28 PolarHBondContact O-N 3.38Å
25E94.1Very high91.8Very high133 Ų133107.9 Ų107.962%0.62150%0.499SS*.Hα-helixtrans-60.8-45.2177.9-74.7176.7-175.900112.3N21 K22 Q27 L28 Q29N21-E25 WeakPolarHBondContact O-CG 3.15Å; N21-E25 PolarHBondContact O-N 3.39Å; K22-E25 PolarHBondContact O-N 2.9Å; E25-Q27 VanDerWaalsContact C-N 3.33Å; E25-Q27 PolarHBondContact O-N 2.84Å; E25-L28 PolarHBondContact O-N 2.99Å; E25-Q29 PolarHBondContact O-N 3.16Å
26E94.1Very high91.5Very high85 Ų85107.4 Ų107.440%0.39749%0.494SS..Hα-helixtrans-62.1-40.2176.1-74.6177.3-171.300111.9K22 K30K22-E26 WeakPolarHBondContact CE-OE1 3.42Å; K22-E26 WeakPolarHBondContact O-CG 3.3Å; K22-E26 PolarHBondContact O-N 2.87Å; E26-K30 WeakPolarHBondContact O-CG 3.39Å; E26-K30 PolarHBondContact O-N 3.46Å; E26-K30 VanDerWaalsContact O-N 3.16Å
27Q93.4Very high91.3Very high94 Ų94105 Ų10544%0.43949%0.49SS..Hα-helixtrans-68.7-44177.2-171.45942.900111.6Q23 I24 E25 Q29 K30 D31Q23-Q27 WeakPolarHBondContact O-CB 3.27Å; Q23-Q27 PolarHBondContact O-N 2.98Å; I24-Q27 PolarHBondContact O-N 3.27Å; E25-Q27 VanDerWaalsContact C-N 3.33Å; E25-Q27 PolarHBondContact O-N 2.84Å; Q27-Q29 VanDerWaalsContact C-N 3.27Å; Q27-Q29 PolarHBondContact O-N 2.92Å; Q27-K30 PolarHBondContact O-N 3.5Å; Q27-K30 VanDerWaalsContact O-N 3.15Å; Q27-D31 PolarHBondContact NE2-OD1 2.79Å; Q27-D31 WeakPolarHBondContact O-CB 3.41Å; Q27-D31 VanDerWaalsContact O-CG 3.25Å; Q27-D31 PolarHBondContact O-N 3.15Å
28L93.3Very high91.3Very high107 Ų107101.1 Ų101.156%0.5647%0.473SS*.Hα-helixtrans-59.5-38.6176.2-75.4172.2000111.9I24 E25 D31 K32I24-L28 HydrophobicContact CG2-CD1 3.83Å; I24-L28 HydrophobicContact CG2-CG 4.24Å; I24-L28 WeakPolarHBondContact O-CB 3.38Å; I24-L28 VanDerWaalsContact O-CG 3.27Å; I24-L28 WeakPolarHBondContact O-CG 3.3Å; I24-L28 PolarHBondContact O-N 3.38Å; E25-L28 PolarHBondContact O-N 2.99Å; L28-D31 PolarHBondContact O-N 3.07Å; L28-K32 VanDerWaalsContact O-CB 3.28Å; L28-K32 WeakPolarHBondContact O-CB 3.28Å; L28-K32 PolarHBondContact O-N 3.33Å
29Q92.6Very high91.4Very high123 Ų12394 Ų9458%0.57544%0.443SS*.Hα-helixtrans-65.7-43.7176.2-170.8176.47.500111.6E25 Q27 K32 Q33E25-Q29 PolarHBondContact O-N 3.16Å; Q27-Q29 VanDerWaalsContact C-N 3.27Å; Q27-Q29 PolarHBondContact O-N 2.92Å; Q29-K32 PolarHBondContact O-N 2.81Å; Q29-Q33 WeakPolarHBondContact O-CG 3.37Å; Q29-Q33 PolarHBondContact O-N 2.82Å; Q29-Q33 VanDerWaalsContact O-N 3.07Å
30K92.2Very high91.4Very high119 Ų11988.5 Ų88.552%0.51742%0.422SS..Hα-helixtrans-62.9-44.8175-71.7173.3-175171.60111.7E26 Q27 K32 Q33 L34E26-K30 WeakPolarHBondContact O-CG 3.39Å; E26-K30 PolarHBondContact O-N 3.46Å; E26-K30 VanDerWaalsContact O-N 3.16Å; Q27-K30 PolarHBondContact O-N 3.5Å; Q27-K30 VanDerWaalsContact O-N 3.15Å; K30-K32 VanDerWaalsContact C-N 3.32Å; K30-K32 PolarHBondContact O-N 2.85Å; K30-Q33 PolarHBondContact O-N 3.24Å; K30-L34 VanDerWaalsContact O-CB 3.3Å; K30-L34 WeakPolarHBondContact O-CB 3.46Å; K30-L34 PolarHBondContact O-N 3.43Å
31D91Very high91.6Very high71 Ų7185.9 Ų85.938%0.3841%0.406SS..Hα-helixtrans-64.4-38.1179.2-69.2-13.8000111.5Q27 L28 L34 Y35Q27-D31 PolarHBondContact NE2-OD1 2.79Å; Q27-D31 WeakPolarHBondContact O-CB 3.41Å; Q27-D31 VanDerWaalsContact O-CG 3.25Å; Q27-D31 PolarHBondContact O-N 3.15Å; L28-D31 PolarHBondContact O-N 3.07Å; D31-L34 WeakPolarHBondContact O-CB 3.36Å; D31-L34 PolarHBondContact O-N 3.44Å; D31-Y35 VanDerWaalsContact O-CB 3.23Å; D31-Y35 WeakPolarHBondContact O-CB 3.5Å; D31-Y35 PolarHBondContact O-N 3.12Å
32K89.7Confident91.7Very high123 Ų12381.5 Ų81.554%0.53538%0.382SS..Hα-helixtrans-66.2-40.3175.4-171.4175-175.3174.80112.3L28 Q29 K30 R36L28-K32 VanDerWaalsContact O-CB 3.28Å; L28-K32 WeakPolarHBondContact O-CB 3.28Å; L28-K32 PolarHBondContact O-N 3.33Å; Q29-K32 PolarHBondContact O-N 2.81Å; K30-K32 VanDerWaalsContact C-N 3.32Å; K30-K32 PolarHBondContact O-N 2.85Å; K32-R36 WeakPolarHBondContact O-CG 3.23Å; K32-R36 PolarHBondContact O-N 3.36Å; K32-R36 VanDerWaalsContact O-N 3.12Å
33Q87.7Confident91.9Very high119 Ų11975.4 Ų75.456%0.55636%0.356SS*.Hα-helixtrans-65.1-44.5173.8-72.2174.7-1.300111Q29 K30 Y35 R36 A37Q29-Q33 WeakPolarHBondContact O-CG 3.37Å; Q29-Q33 PolarHBondContact O-N 2.82Å; Q29-Q33 VanDerWaalsContact O-N 3.07Å; K30-Q33 PolarHBondContact O-N 3.24Å; Q33-Y35 VanDerWaalsContact C-N 3.34Å; Q33-Y35 PolarHBondContact O-N 3.32Å; Q33-R36 PolarHBondContact O-N 2.57Å; Q33-A37 WeakPolarHBondContact O-CB 3.42Å; Q33-A37 PolarHBondContact O-N 3.18Å; Q33-A37 VanDerWaalsContact O-N 3.08Å
34L87.4Confident92.1Very high75 Ų7570.5 Ų70.539%0.39333%0.333SS..Hα-helixtrans-59.5-45.5177179.459.8000111.5K30 D31 A37 T38 R201K30-L34 VanDerWaalsContact O-CB 3.3Å; K30-L34 WeakPolarHBondContact O-CB 3.46Å; K30-L34 PolarHBondContact O-N 3.43Å; D31-L34 WeakPolarHBondContact O-CB 3.36Å; D31-L34 PolarHBondContact O-N 3.44Å; L34-A37 PolarHBondContact O-N 3.47Å; L34-T38 PolarHBondContact O-N 2.72Å; L34-T38 PolarHBondContact O-OG1 3.2Å; L34-R201 VanDerWaalsContact CD1-NH2 3.34Å
35Y86.7Confident92.3Very high99 Ų9966.5 Ų66.539%0.38831%0.312SS..Hα-helixtrans-60.3-47.9178.3-175.4-97.3000111.9D31 Q33 A37 T38 D223D31-Y35 VanDerWaalsContact O-CB 3.23Å; D31-Y35 WeakPolarHBondContact O-CB 3.5Å; D31-Y35 PolarHBondContact O-N 3.12Å; Q33-Y35 VanDerWaalsContact C-N 3.34Å; Q33-Y35 PolarHBondContact O-N 3.32Å; Y35-A37 VanDerWaalsContact C-N 3.29Å; Y35-A37 PolarHBondContact O-N 3.08Å; Y35-T38 PolarHBondContact O-N 3.38Å; Y35-T38 VanDerWaalsContact O-N 3.17Å; Y35-D223 HydrophobicContact CE1-CB 4.32Å; Y35-D223 WeakPolarHBondContact CE1-OD2 3.49Å; Y35-D223 WeakPolarHBondContact OH-CB 3.36Å; Y35-D223 PolarHBondContact OH-OD2 2.61Å
36R84.4Confident92.4Very high139 Ų13960.6 Ų60.653%0.52529%0.287SS..Hα-helixtrans-63.6-34.3178.4-74.2174.8173.7-175-6.3113K32 Q33 T38 H370K32-R36 WeakPolarHBondContact O-CG 3.23Å; K32-R36 PolarHBondContact O-N 3.36Å; K32-R36 VanDerWaalsContact O-N 3.12Å; Q33-R36 PolarHBondContact O-N 2.57Å; R36-T38 VanDerWaalsContact C-N 3.29Å; R36-H370 PolarHBondContact O-CE1 2.63Å
37A86.7Confident92.4Very high43 Ų4357.7 Ų57.736%0.35528%0.279SS..THydrogen-bonded Turntrans-83.71178.600000113.9Q33 L34 Y35Q33-A37 WeakPolarHBondContact O-CB 3.42Å; Q33-A37 PolarHBondContact O-N 3.18Å; Q33-A37 VanDerWaalsContact O-N 3.08Å; L34-A37 PolarHBondContact O-N 3.47Å; Y35-A37 VanDerWaalsContact C-N 3.29Å; Y35-A37 PolarHBondContact O-N 3.08Å
38T91.9Very high92.5Very high25 Ų2554.5 Ų54.515%0.15326%0.264CS..EExtended strand (participates in β ladder)trans-103.6123.4-179.7-59.40000110L34 Y35 R36 R40 R201 H203L34-T38 PolarHBondContact O-N 2.72Å; L34-T38 PolarHBondContact O-OG1 3.2Å; Y35-T38 PolarHBondContact O-N 3.38Å; Y35-T38 VanDerWaalsContact O-N 3.17Å; R36-T38 VanDerWaalsContact C-N 3.29Å; T38-R40 PolarHBondContact O-N 3.17Å; T38-R201 WeakPolarHBondContact CA-O 3.43Å; T38-R201 HydrophobicContact CG2-CB 4.12Å; T38-H203 HydrophobicContact CG2-CB 3.72Å
39H92.4Very high92.7Very high9 Ų949.5 Ų49.54%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-77.3123175-61.1-45.5000110.7V200 R201 F202 H203 T225 I366 H370H39-V200 WeakPolarHBondContact CD2-CG1 3.38Å; H39-V200 WeakPolarHBondContact NE2-CG1 3.36Å; H39-R201 PolarHBondContact N-O 2.86Å; H39-F202 HydrophobicContact CB-CD1 3.82Å; H39-F202 HydrophobicContact CB-CE1 3.98Å; H39-F202 AromaticContact CD2-CE1 3.78Å; H39-F202 CarbonylContact O-C 3.53Å; H39-F202 WeakPolarHBondContact O-CA 3.21Å; H39-H203 PolarHBondContact O-N 3.4Å; H39-T225 WeakPolarHBondContact CA-OG1 3.23Å; H39-T225 HydrophobicContact CB-CG2 4.26Å; H39-I366 HydrophobicContact CB-CG2 4.08Å; H39-H370 AromaticContact CE1-CD2 3.68Å; H39-H370 AromaticContact CE1-CE1 3.77Å; H39-H370 AromaticContact CE1-CG 3.33Å; H39-H370 AromaticContact CE1-ND1 3.43Å; H39-H370 PolarHBondContact CE1-ND1 3.38Å; H39-H370 AromaticContact CE1-NE2 3.95Å; H39-H370 AromaticContact ND1-CE1 3.94Å; H39-H370 AromaticContact ND1-CG 3.84Å; H39-H370 AromaticContact ND1-ND1 3.5Å
40R94Very high93Very high32 Ų3244.1 Ų44.112%0.12122%0.216CC..EExtended strand (participates in β ladder)trans-96.7110-179.5-66.4171.260.688.34.9109.2T38 H203 F205 N222 D223 T225 A226T38-R40 PolarHBondContact O-N 3.17Å; R40-H203 CarbonylContact C-O 3.57Å; R40-H203 VanDerWaalsContact CA-O 3.3Å; R40-H203 WeakPolarHBondContact CA-O 3.49Å; R40-H203 HydrophobicContact CG-CB 4.35Å; R40-F205 HydrophobicContact CB-CE2 4.21Å; R40-F205 HydrophobicContact CG-CE2 4.41Å; R40-F205 VanDerWaalsContact NH2-CZ 3.27Å; R40-N222 PolarHBondContact NE-O 3.31Å; R40-N222 PolarHBondContact NH2-O 3.12Å; R40-D223 WeakPolarHBondContact CB-O 3.39Å; R40-D223 WeakPolarHBondContact CD-O 3.33Å; R40-D223 PolarHBondContact NE-O 3.36Å; R40-T225 PolarHBondContact N-OG1 2.88Å; R40-T225 WeakPolarHBondContact O-CB 3.22Å; R40-T225 PolarHBondContact O-N 3.42Å; R40-A226 PolarHBondContact O-N 3.4Å
41L95.4Very high93.2Very high0 Ų039 Ų390%019%0.194CC..EExtended strand (participates in β ladder)trans-104.2122.9-177.6-57.5-177.8000110.1F202 H203 M204 F205 A226 I228 F359 I366L41-F202 HydrophobicContact CD1-CD1 3.64Å; L41-F202 HydrophobicContact CD1-CE1 4.26Å; L41-F202 HydrophobicContact CD1-CG 4.48Å; L41-F202 HydrophobicContact CG-CD1 4.13Å; L41-H203 PolarHBondContact N-O 2.74Å; L41-M204 HydrophobicContact CB-CE 4.47Å; L41-M204 HydrophobicContact CD1-CE 3.87Å; L41-M204 CarbonylContact O-C 3.59Å; L41-M204 WeakPolarHBondContact O-CA 3.21Å; L41-F205 PolarHBondContact O-N 2.59Å; L41-A226 HydrophobicContact CD2-CB 4.12Å; L41-I228 HydrophobicContact CB-CD1 4.39Å; L41-I228 HydrophobicContact CD1-CD1 4.17Å; L41-F359 HydrophobicContact CD1-CE2 4.09Å; L41-F359 HydrophobicContact CD1-CZ 4.46Å; L41-I366 HydrophobicContact CD1-CD1 4.26Å; L41-I366 HydrophobicContact CD2-CD1 3.7Å; L41-I366 HydrophobicContact CD2-CG1 4.27Å
42L97.3Very high93.5Very high0 Ų036.9 Ų36.90%019%0.185CC..EExtended strand (participates in β ladder)trans-106.6116.2179.417957.7000110.4L44 F205 V207 C220 F221 V224 A226 V227 I228L42-L44 HydrophobicContact CD1-CD2 4.03Å; L42-L44 HydrophobicContact CD2-CD1 4.08Å; L42-L44 HydrophobicContact CD2-CD2 4.02Å; L42-L44 HydrophobicContact CD2-CG 4.14Å; L42-L44 HydrophobicContact CG-CD1 4.34Å; L42-L44 HydrophobicContact CG-CD2 3.81Å; L42-L44 HydrophobicContact CG-CG 3.88Å; L42-F205 HydrophobicContact CD1-CB 3.79Å; L42-V207 HydrophobicContact CD1-CG1 4.47Å; L42-C220 HydrophobicContact CD1-CB 3.56Å; L42-C220 HydrophobicContact CD2-CB 4.24Å; L42-F221 HydrophobicContact CD2-CD1 3.56Å; L42-F221 HydrophobicContact CD2-CE1 3.71Å; L42-V224 HydrophobicContact CB-CG1 3.93Å; L42-V224 HydrophobicContact CB-CG2 4.18Å; L42-V224 HydrophobicContact CD2-CG2 4.07Å; L42-A226 PolarHBondContact N-O 3.17Å; L42-A226 VanDerWaalsContact N-O 3.17Å; L42-V227 WeakPolarHBondContact O-CA 3.41Å; L42-I228 PolarHBondContact O-N 2.75Å
43L98Very high93.9Very high0 Ų032.1 Ų32.10%017%0.166CC..EExtended strand (participates in β ladder)trans-85.2118.3174.3-69.895.1000110.5K51 I54 V55 M204 F205 V207 I228 V230L43-K51 HydrophobicContact CB-CB 4.14Å; L43-K51 HydrophobicContact CB-CD 4.03Å; L43-K51 HydrophobicContact CB-CG 4.11Å; L43-K51 HydrophobicContact CD2-CB 4Å; L43-K51 HydrophobicContact CD2-CG 4.45Å; L43-I54 HydrophobicContact CD2-CB 3.98Å; L43-I54 HydrophobicContact CD2-CD1 4.19Å; L43-I54 HydrophobicContact CD2-CG2 4Å; L43-V55 HydrophobicContact CD1-CG2 4.18Å; L43-V55 HydrophobicContact CD2-CG2 4.41Å; L43-M204 HydrophobicContact CD1-CE 4.27Å; L43-M204 HydrophobicContact CD1-CG 3.12Å; L43-M204 HydrophobicContact CD1-SD 3.58Å; L43-M204 VanDerWaalsContact CD1-SD 3.58Å; L43-F205 WeakPolarHBondContact CD1-O 3.48Å; L43-F205 PolarHBondContact N-O 2.98Å; L43-V207 WeakPolarHBondContact O-CG2 3.5Å; L43-I228 CarbonylContact C-O 3.34Å; L43-I228 WeakPolarHBondContact CA-O 3.27Å; L43-I228 HydrophobicContact CG-CB 4.39Å; L43-V230 HydrophobicContact CD2-CG2 4.41Å
44L98.1Very high94.4Very high0 Ų026.6 Ų26.60%014%0.14CC..EExtended strand (participates in β ladder)trans-121.1162.5175.8-59.6-178000110.9L42 V207 W217 F221 V227 I228 F229 V230 I259 L265L42-L44 HydrophobicContact CD1-CD2 4.03Å; L42-L44 HydrophobicContact CD2-CD1 4.08Å; L42-L44 HydrophobicContact CD2-CD2 4.02Å; L42-L44 HydrophobicContact CD2-CG 4.14Å; L42-L44 HydrophobicContact CG-CD1 4.34Å; L42-L44 HydrophobicContact CG-CD2 3.81Å; L42-L44 HydrophobicContact CG-CG 3.88Å; L44-V207 HydrophobicContact CD2-CG2 3.9Å; L44-W217 HydrophobicContact CB-CZ3 4.41Å; L44-W217 HydrophobicContact CD1-CE3 4.44Å; L44-W217 HydrophobicContact CD2-CB 4.41Å; L44-W217 HydrophobicContact CD2-CD2 3.74Å; L44-W217 HydrophobicContact CD2-CE3 3.75Å; L44-W217 HydrophobicContact CD2-CG 4.07Å; L44-W217 HydrophobicContact CD2-CZ3 4.21Å; L44-F221 HydrophobicContact CD1-CE1 4.23Å; L44-V227 HydrophobicContact CB-CG1 4.28Å; L44-V227 HydrophobicContact CD1-CG1 3.84Å; L44-V227 HydrophobicContact CG-CG1 4.08Å; L44-I228 PolarHBondContact N-O 3.48Å; L44-F229 HydrophobicContact CB-CD2 4.16Å; L44-F229 CarbonylContact O-C 3.59Å; L44-F229 WeakPolarHBondContact O-CA 3.12Å; L44-V230 PolarHBondContact O-N 3.4Å; L44-I259 HydrophobicContact CD1-CD1 3.69Å; L44-I259 HydrophobicContact CD1-CG1 4.04Å; L44-I259 HydrophobicContact CD1-CG2 3.99Å; L44-L265 HydrophobicContact CD1-CD1 4.17Å
45G98Very high94.9Very high0 Ų023.6 Ų23.60%013%0.125CC..  trans137.9165-179.400000112.1K51 G209G45-K51 PolarHBondContact O-NZ 3.1Å; G45-G209 WeakPolarHBondContact O-CA 3.36Å
46A96.9Very high95.4Very high10 Ų1020.6 Ų20.68%0.08311%0.114CC..SBendtrans-60.7166.6-176.900000112.8S49 K51 L255A46-S49 WeakPolarHBondContact O-CB 3.38Å; A46-S49 PolarHBondContact O-N 3.39Å; A46-S49 PolarHBondContact O-OG 3.28Å; A46-S49 VanDerWaalsContact O-OG 3.12Å; A46-K51 PolarHBondContact O-NZ 3.18Å; A46-L255 HydrophobicContact CB-CD2 4.28Å
47G94.5Very high96.1Very high23 Ų2314 Ų1424%0.2379%0.089CC..THydrogen-bonded Turntrans-51.5145.4167.700000110.4S49 G209G47-S49 PolarHBondContact O-N 3.37Å; G47-G209 VanDerWaalsContact N-C 3.27Å; G47-G209 PolarHBondContact N-O 3.34Å
48E95Very high96.6Very high27 Ų2711.9 Ų11.913%0.1267%0.072CC..THydrogen-bonded Turntrans65.48.5176.2-59.2-177.3169.200115.7G50 R184 R248 K276E48-G50 VanDerWaalsContact C-N 3.27Å; E48-G50 PolarHBondContact O-N 3.15Å; E48-R184 IonicContact OE1-CZ 3.29Å; E48-R184 IonicContact OE1-NE 3.78Å; E48-R184 PolarHBondContact OE1-NE 2.99Å; E48-R184 IonicContact OE1-NH2 3.77Å; E48-R184 PolarHBondContact OE1-NH2 3.43Å; E48-R248 IonicContact OE2-CZ 3.94Å; E48-R248 IonicContact OE2-NH1 2.65Å; E48-R248 PolarHBondContact OE2-NH1 3.03Å; E48-R248 IonicContact OE2-NH2 2.72Å; E48-R248 PolarHBondContact OE2-NH2 3.37Å; E48-K276 WeakPolarHBondContact O-CE 3.16Å; E48-K276 PolarHBondContact O-NZ 3.32Å
49S97.6Very high96.8Very high2 Ų213.5 Ų13.51%0.0148%0.075CC..SBendtrans-69.8-21.9179.3670000114.6A46 G47 V230 N275A46-S49 WeakPolarHBondContact O-CB 3.38Å; A46-S49 PolarHBondContact O-N 3.39Å; A46-S49 PolarHBondContact O-OG 3.28Å; A46-S49 VanDerWaalsContact O-OG 3.12Å; G47-S49 PolarHBondContact O-N 3.37Å; S49-V230 WeakPolarHBondContact CB-O 3.41Å; S49-V230 VanDerWaalsContact O-CG1 3.3Å; S49-V230 WeakPolarHBondContact O-CG1 3.3Å; S49-V230 PolarHBondContact OG-O 3.2Å; S49-N275 PolarHBondContact O-ND2 3.02Å
50G97.4Very high97Very high11 Ų1114.3 Ų14.311%0.1138%0.079CC..SBendtrans112.410178.900000115.8E48 S52 T53 I54E48-G50 VanDerWaalsContact C-N 3.27Å; E48-G50 PolarHBondContact O-N 3.15Å; G50-S52 PolarHBondContact O-N 3.28Å; G50-T53 WeakPolarHBondContact O-CB 3.46Å; G50-T53 PolarHBondContact O-N 3.38Å; G50-T53 VanDerWaalsContact O-N 3.11Å; G50-I54 PolarHBondContact O-N 3.23Å
51K97.8Very high97.1Very high10 Ų1014.3 Ų14.34%0.0438%0.082CC..Hα-helixtrans-51.5-55.8178-60.8-176.8-62.3-69.20113.5L43 G45 A46 T53 I54 V55 D206 V207 V230L43-K51 HydrophobicContact CB-CB 4.14Å; L43-K51 HydrophobicContact CB-CD 4.03Å; L43-K51 HydrophobicContact CB-CG 4.11Å; L43-K51 HydrophobicContact CD2-CB 4Å; L43-K51 HydrophobicContact CD2-CG 4.45Å; G45-K51 PolarHBondContact O-NZ 3.1Å; A46-K51 PolarHBondContact O-NZ 3.18Å; K51-T53 PolarHBondContact O-N 3.29Å; K51-I54 WeakPolarHBondContact O-CB 3.39Å; K51-I54 PolarHBondContact O-N 3.05Å; K51-V55 PolarHBondContact O-N 2.94Å; K51-V55 VanDerWaalsContact O-N 3.09Å; K51-D206 WeakPolarHBondContact CB-OD1 3.48Å; K51-V207 WeakPolarHBondContact CE-O 3.25Å; K51-V230 HydrophobicContact CG-CB 3.95Å; K51-V230 HydrophobicContact CG-CG2 3.84Å
52S97.6Very high97.1Very high28 Ų2817.1 Ų17.120%0.19610%0.095CC..Hα-helixtrans-63.5-27.5179.7-47.60000112.6G50 V55 K56 T187 D206G50-S52 PolarHBondContact O-N 3.28Å; S52-V55 PolarHBondContact O-N 3.03Å; S52-K56 VanDerWaalsContact O-CG 3.27Å; S52-K56 WeakPolarHBondContact O-CG 3.49Å; S52-K56 PolarHBondContact O-N 3.03Å; S52-T187 PolarHBondContact OG-OG1 3.49Å; S52-D206 VanDerWaalsContact CA-OD2 3.28Å; S52-D206 WeakPolarHBondContact CA-OD2 3.42Å; S52-D206 VanDerWaalsContact CB-OD2 3.24Å; S52-D206 WeakPolarHBondContact CB-OD2 3.37Å; S52-D206 PolarHBondContact OG-OD2 3.43Å
53T97.9Very high97Very high23 Ų2320 Ų2014%0.14111%0.109CC..Hα-helixtrans-68.5-39.7173-51.60000111.1G50 K51 V55 K56 Q57 L181 A349 V350G50-T53 WeakPolarHBondContact O-CB 3.46Å; G50-T53 PolarHBondContact O-N 3.38Å; G50-T53 VanDerWaalsContact O-N 3.11Å; K51-T53 PolarHBondContact O-N 3.29Å; T53-V55 VanDerWaalsContact C-N 3.33Å; T53-V55 PolarHBondContact O-N 3.47Å; T53-K56 WeakPolarHBondContact O-CB 3.16Å; T53-K56 PolarHBondContact O-N 3.35Å; T53-Q57 WeakPolarHBondContact O-CG 3.29Å; T53-Q57 PolarHBondContact O-N 2.88Å; T53-L181 HydrophobicContact CG2-CB 4.33Å; T53-L181 HydrophobicContact CG2-CD2 3.83Å; T53-A349 HydrophobicContact CG2-CB 3.71Å; T53-A349 WeakPolarHBondContact CG2-O 3.41Å; T53-V350 HydrophobicContact CG2-CG1 4.14Å
54I98Very high96.8Very high2 Ų228 Ų281%0.0115%0.153CC..Hα-helixtrans-62.5-40.5173.5-64.8152.4000110.9L43 G50 K51 Q57 M58 V230 F273 A349L43-I54 HydrophobicContact CD2-CB 3.98Å; L43-I54 HydrophobicContact CD2-CD1 4.19Å; L43-I54 HydrophobicContact CD2-CG2 4Å; G50-I54 PolarHBondContact O-N 3.23Å; K51-I54 WeakPolarHBondContact O-CB 3.39Å; K51-I54 PolarHBondContact O-N 3.05Å; I54-Q57 WeakPolarHBondContact O-CB 3.48Å; I54-Q57 PolarHBondContact O-N 3.3Å; I54-Q57 VanDerWaalsContact O-N 3.15Å; I54-M58 PolarHBondContact O-N 2.98Å; I54-V230 HydrophobicContact CD1-CB 4.36Å; I54-V230 HydrophobicContact CD1-CG1 3.87Å; I54-V230 HydrophobicContact CD1-CG2 3.5Å; I54-V230 VanDerWaalsContact CD1-CG2 3.5Å; I54-F273 HydrophobicContact CD1-CD2 3.6Å; I54-F273 HydrophobicContact CD1-CE2 4.1Å; I54-F273 HydrophobicContact CG1-CD2 4.32Å; I54-F273 HydrophobicContact CG1-CE2 4.45Å; I54-F273 HydrophobicContact CG2-CE2 4.37Å; I54-A349 HydrophobicContact CG1-CB 4.09Å
55V97.5Very high96.6Very high13 Ų1328.2 Ų28.28%0.07915%0.154CC..Hα-helixtrans-62.6-44.1174.1177.90000111.7L43 K51 S52 T53 Q57 M58 R59 T193 M204 D206L43-V55 HydrophobicContact CD1-CG2 4.18Å; L43-V55 HydrophobicContact CD2-CG2 4.41Å; K51-V55 PolarHBondContact O-N 2.94Å; K51-V55 VanDerWaalsContact O-N 3.09Å; S52-V55 PolarHBondContact O-N 3.03Å; T53-V55 VanDerWaalsContact C-N 3.33Å; T53-V55 PolarHBondContact O-N 3.47Å; V55-Q57 PolarHBondContact O-N 2.91Å; V55-M58 PolarHBondContact O-N 2.96Å; V55-M58 VanDerWaalsContact O-N 3.12Å; V55-R59 PolarHBondContact O-N 2.8Å; V55-T193 HydrophobicContact CG1-CG2 4.19Å; V55-T193 VanDerWaalsContact CG1-OG1 3.27Å; V55-T193 WeakPolarHBondContact CG1-OG1 3.46Å; V55-M204 HydrophobicContact CG2-CG 4.28Å; V55-M204 HydrophobicContact CG2-SD 3.81Å; V55-D206 HydrophobicContact CG2-CB 3.67Å
56K97.6Very high96.6Very high35 Ų3529.1 Ų29.115%0.15216%0.158CC..Hα-helixtrans-57.7-38.3173.2-70.9170.7-173178.40111.4S52 T53 R59 I60 F66 I180 L181 C183S52-K56 VanDerWaalsContact O-CG 3.27Å; S52-K56 WeakPolarHBondContact O-CG 3.49Å; S52-K56 PolarHBondContact O-N 3.03Å; T53-K56 WeakPolarHBondContact O-CB 3.16Å; T53-K56 PolarHBondContact O-N 3.35Å; K56-R59 WeakPolarHBondContact O-CB 3.42Å; K56-R59 PolarHBondContact O-N 2.85Å; K56-I60 WeakPolarHBondContact O-CG1 3.48Å; K56-I60 PolarHBondContact O-N 2.82Å; K56-F66 HydrophobicContact CB-CE2 4.48Å; K56-F66 HydrophobicContact CB-CZ 3.78Å; K56-F66 HydrophobicContact CG-CE1 4.49Å; K56-F66 HydrophobicContact CG-CZ 3.88Å; K56-I180 HydrophobicContact CD-CG2 4.17Å; K56-I180 WeakPolarHBondContact CD-O 3.44Å; K56-I180 WeakPolarHBondContact CE-O 3.27Å; K56-I180 PolarHBondContact NZ-O 2.85Å; K56-L181 HydrophobicContact CB-CD2 3.81Å; K56-C183 PolarHBondContact NZ-O 2.92Å
57Q97.8Very high96.5Very high0 Ų031.1 Ų31.10%017%0.172CC..Hα-helixtrans-65.5-40.1174.9-68.9-72.326.100112.6T53 I54 V55 R59 I60 L61 L181 A349 T352 I355T53-Q57 WeakPolarHBondContact O-CG 3.29Å; T53-Q57 PolarHBondContact O-N 2.88Å; I54-Q57 WeakPolarHBondContact O-CB 3.48Å; I54-Q57 PolarHBondContact O-N 3.3Å; I54-Q57 VanDerWaalsContact O-N 3.15Å; V55-Q57 PolarHBondContact O-N 2.91Å; Q57-R59 PolarHBondContact O-N 3.49Å; Q57-I60 PolarHBondContact O-N 2.94Å; Q57-L61 WeakPolarHBondContact O-CB 3.38Å; Q57-L61 VanDerWaalsContact O-CG 3.32Å; Q57-L61 WeakPolarHBondContact O-CG 3.46Å; Q57-L61 PolarHBondContact O-N 3.48Å; Q57-L181 HydrophobicContact CG-CD2 3.74Å; Q57-A349 VanDerWaalsContact CG-O 3.23Å; Q57-A349 WeakPolarHBondContact CG-O 3.42Å; Q57-A349 PolarHBondContact NE2-O 2.94Å; Q57-T352 PolarHBondContact NE2-OG1 3.18Å; Q57-T352 PolarHBondContact OE1-OG1 2.65Å; Q57-I355 HydrophobicContact CB-CB 4.34Å; Q57-I355 HydrophobicContact CB-CG2 3.71Å; Q57-I355 HydrophobicContact CG-CB 4.28Å; Q57-I355 HydrophobicContact CG-CG1 4.15Å; Q57-I355 HydrophobicContact CG-CG2 4.15Å
58M96.8Very high96.5Very high0 Ų034.1 Ų34.10%018%0.18CC..Hα-helixtrans-61.3-34.9173.7-63.4-57.899.400111.7I54 V55 L61 H62 F195 M204 I355 F359I54-M58 PolarHBondContact O-N 2.98Å; V55-M58 PolarHBondContact O-N 2.96Å; V55-M58 VanDerWaalsContact O-N 3.12Å; M58-L61 HydrophobicContact CE-CD1 4.07Å; M58-H62 WeakPolarHBondContact O-CB 3.49Å; M58-H62 PolarHBondContact O-N 3.19Å; M58-F195 HydrophobicContact CB-CD1 4.19Å; M58-F195 HydrophobicContact CB-CE1 3.94Å; M58-F195 HydrophobicContact CB-CZ 4.18Å; M58-F195 HydrophobicContact CG-CE1 3.86Å; M58-F195 HydrophobicContact CG-CE2 4.42Å; M58-F195 HydrophobicContact CG-CZ 3.77Å; M58-F195 HydrophobicContact SD-CE1 4.31Å; M58-F195 HydrophobicContact SD-CE2 3.86Å; M58-F195 HydrophobicContact SD-CZ 3.6Å; M58-M204 HydrophobicContact CG-CE 3.7Å; M58-M204 HydrophobicContact CG-SD 3.76Å; M58-M204 HydrophobicContact SD-CE 4.27Å; M58-I355 HydrophobicContact CE-CG2 3.62Å; M58-F359 HydrophobicContact CE-CB 4.25Å; M58-F359 HydrophobicContact CE-CD2 4.01Å; M58-F359 HydrophobicContact CE-CG 4.03Å; M58-F359 HydrophobicContact SD-CD1 4.27Å; M58-F359 HydrophobicContact SD-CD2 3.74Å; M58-F359 HydrophobicContact SD-CE1 4.27Å; M58-F359 HydrophobicContact SD-CE2 3.74Å; M58-F359 HydrophobicContact SD-CG 4.02Å; M58-F359 HydrophobicContact SD-CZ 4.02Å
59R96.9Very high96.5Very high59 Ų5940.9 Ų40.922%0.22320%0.204CC..Hα-helixtrans-64.6-47172.7-66.9-171.857.2-178-8112.5V55 K56 Q57 I63 N64 G65 F66 E70 T193V55-R59 PolarHBondContact O-N 2.8Å; K56-R59 WeakPolarHBondContact O-CB 3.42Å; K56-R59 PolarHBondContact O-N 2.85Å; Q57-R59 PolarHBondContact O-N 3.49Å; R59-I63 HydrophobicContact CG-CD1 3.98Å; R59-I63 CarbonylContact O-C 3.52Å; R59-I63 VanDerWaalsContact O-CA 3.3Å; R59-I63 WeakPolarHBondContact O-CA 3.3Å; R59-I63 PolarHBondContact O-N 2.83Å; R59-N64 PolarHBondContact O-N 3.29Å; R59-G65 PolarHBondContact NH2-O 3.43Å; R59-G65 WeakPolarHBondContact O-CA 3.48Å; R59-G65 PolarHBondContact O-N 2.87Å; R59-F66 HydrophobicContact CB-CE1 4.49Å; R59-F66 HydrophobicContact CB-CZ 4.24Å; R59-F66 VanDerWaalsContact CZ-CD1 3.45Å; R59-F66 VanDerWaalsContact CZ-CE1 3.44Å; R59-E70 IonicContact CZ-OE1 2.92Å; R59-E70 IonicContact NH1-OE1 3.69Å; R59-E70 PolarHBondContact NH1-OE1 3.36Å; R59-E70 VanDerWaalsContact NH2-CD 3.27Å; R59-E70 IonicContact NH2-OE1 3.89Å; R59-E70 PolarHBondContact NH2-OE1 3.35Å; R59-E70 IonicContact NH2-OE2 3.81Å; R59-E70 PolarHBondContact NH2-OE2 2.99Å; R59-E70 VanDerWaalsContact NH2-OE2 3.13Å; R59-T193 HydrophobicContact CG-CG2 4.4Å
60I96.7Very high96.4Very high25 Ų2543.2 Ų43.213%0.12822%0.215CC..Hα-helixtrans-60.3-48.6177.2-66.7167.2000110.7K56 Q57 F66 E177 L181 T352K56-I60 WeakPolarHBondContact O-CG1 3.48Å; K56-I60 PolarHBondContact O-N 2.82Å; Q57-I60 PolarHBondContact O-N 2.94Å; I60-F66 HydrophobicContact CD1-CE2 3.92Å; I60-F66 HydrophobicContact CG1-CD2 4.13Å; I60-F66 HydrophobicContact CG1-CE2 3.6Å; I60-E177 HydrophobicContact CD1-CB 4.18Å; I60-L181 HydrophobicContact CD1-CD1 3.89Å; I60-L181 HydrophobicContact CD1-CD2 3.93Å; I60-L181 HydrophobicContact CD1-CG 3.91Å; I60-T352 HydrophobicContact CG2-CG2 4.27Å
61L95.9Very high96.4Very high33 Ų3345.1 Ų45.117%0.17322%0.219CC..Hα-helixtrans-74.8-32.2-173.6-68.2173.6000113.6Q57 M58 T352 I355 R356Q57-L61 WeakPolarHBondContact O-CB 3.38Å; Q57-L61 VanDerWaalsContact O-CG 3.32Å; Q57-L61 WeakPolarHBondContact O-CG 3.46Å; Q57-L61 PolarHBondContact O-N 3.48Å; M58-L61 HydrophobicContact CE-CD1 4.07Å; L61-T352 HydrophobicContact CD2-CG2 3.67Å; L61-T352 HydrophobicContact CG-CG2 4.24Å; L61-I355 HydrophobicContact CD1-CG2 4.27Å; L61-R356 HydrophobicContact CD1-CB 4.12Å; L61-R356 HydrophobicContact CD2-CB 4.18Å; L61-R356 HydrophobicContact CD2-CG 4.49Å; L61-R356 VanDerWaalsContact CD2-NH2 3.3Å
62H95.3Very high96.2Very high59 Ų5951.3 Ų51.327%0.27324%0.242SC..Hα-helixtrans-134.8-3.9-166-53.6-55.1000115.4M58 F195 V197M58-H62 WeakPolarHBondContact O-CB 3.49Å; M58-H62 PolarHBondContact O-N 3.19Å; H62-F195 HydrophobicContact CB-CB 4.07Å; H62-F195 HydrophobicContact CB-CD2 4.06Å; H62-F195 HydrophobicContact CB-CG 4.4Å; H62-F195 AromaticContact CD2-CD2 3.86Å; H62-V197 HydrophobicContact CB-CG2 4.49Å
63I95Very high96.1Very high60 Ų6055.5 Ų55.531%0.30826%0.258SS..SBendtrans-134.239.1-177.9-41169.9000110.9R59 G65 T193 F195R59-I63 HydrophobicContact CG-CD1 3.98Å; R59-I63 CarbonylContact O-C 3.52Å; R59-I63 VanDerWaalsContact O-CA 3.3Å; R59-I63 WeakPolarHBondContact O-CA 3.3Å; R59-I63 PolarHBondContact O-N 2.83Å; I63-G65 PolarHBondContact O-N 2.92Å; I63-T193 HydrophobicContact CD1-CG2 3.59Å; I63-F195 HydrophobicContact CD1-CB 3.97Å; I63-F195 HydrophobicContact CG1-CB 3.85Å
64N94.2Very high96.1Very high169 Ų16957.4 Ų57.490%0.90426%0.264SS*.  trans53.823.5177.4-55.2-46.9000114.7R59 F66R59-N64 PolarHBondContact O-N 3.29Å; N64-F66 PolarHBondContact O-N 3.48Å
65G94.8Very high96Very high4 Ų458 Ų584%0.04127%0.268CS..  trans64.9-129.1179.400000114.8R59 I63R59-G65 PolarHBondContact NH2-O 3.43Å; R59-G65 WeakPolarHBondContact O-CA 3.48Å; R59-G65 PolarHBondContact O-N 2.87Å; I63-G65 PolarHBondContact O-N 2.92Å
66F96.3Very high96Very high19 Ų1960.8 Ų60.88%0.08329%0.285CS..  trans-125.5129.3-172.5-57.8-82.8000109.8K56 R59 I60 N64 R71 I180K56-F66 HydrophobicContact CB-CE2 4.48Å; K56-F66 HydrophobicContact CB-CZ 3.78Å; K56-F66 HydrophobicContact CG-CE1 4.49Å; K56-F66 HydrophobicContact CG-CZ 3.88Å; R59-F66 HydrophobicContact CB-CE1 4.49Å; R59-F66 HydrophobicContact CB-CZ 4.24Å; R59-F66 VanDerWaalsContact CZ-CD1 3.45Å; R59-F66 VanDerWaalsContact CZ-CE1 3.44Å; I60-F66 HydrophobicContact CD1-CE2 3.92Å; I60-F66 HydrophobicContact CG1-CD2 4.13Å; I60-F66 HydrophobicContact CG1-CE2 3.6Å; N64-F66 PolarHBondContact O-N 3.48Å; F66-R71 HydrophobicContact CB-CG 4.23Å; F66-R71 PolarHBondContact O-NE 2.8Å; F66-I180 HydrophobicContact CB-CD1 3.79Å; F66-I180 HydrophobicContact CD1-CD1 4.46Å; F66-I180 HydrophobicContact CD1-CG2 4.26Å; F66-I180 HydrophobicContact CD2-CB 4.46Å; F66-I180 HydrophobicContact CD2-CD1 3.71Å; F66-I180 HydrophobicContact CD2-CG2 3.97Å; F66-I180 HydrophobicContact CE1-CG2 3.93Å; F66-I180 HydrophobicContact CE2-CB 4.36Å; F66-I180 HydrophobicContact CE2-CD1 4.42Å; F66-I180 HydrophobicContact CE2-CG2 3.6Å; F66-I180 HydrophobicContact CG-CD1 3.73Å; F66-I180 HydrophobicContact CG-CG2 4.28Å; F66-I180 HydrophobicContact CZ-CG2 3.6Å
67S95.6Very high95.9Very high52 Ų5260.3 Ų60.336%0.36428%0.284SS..  trans-66.5158.3174.863.60000111.7R69 E70 R71S67-R69 PolarHBondContact O-N 2.75Å; S67-E70 PolarHBondContact N-OE2 3.15Å; S67-E70 PolarHBondContact O-N 2.9Å; S67-E70 VanDerWaalsContact OG-CG 3.31Å; S67-E70 WeakPolarHBondContact OG-CG 3.36Å; S67-E70 PolarHBondContact OG-N 3.14Å; S67-E70 PolarHBondContact OG-OE2 3.25Å; S67-R71 WeakPolarHBondContact O-CG 3.3Å; S67-R71 PolarHBondContact O-N 2.88Å
68E94.6Very high95.9Very high86 Ų8660.3 Ų60.340%0.40228%0.284SS..Hα-helixtrans-57-31.3175.1-73-59124.700113R71 R72 T174E68-R71 WeakPolarHBondContact OE1-CD 3.31Å; E68-R71 IonicContact OE1-CZ 3.17Å; E68-R71 IonicContact OE1-NE 3.66Å; E68-R71 IonicContact OE1-NH1 2.78Å; E68-R71 PolarHBondContact OE1-NH1 2.84Å; E68-R72 WeakPolarHBondContact O-CG 3.35Å; E68-R72 PolarHBondContact O-N 3.3Å; E68-R72 VanDerWaalsContact O-N 3.08Å; E68-T174 WeakPolarHBondContact OE2-CG2 3.48Å
69R95.3Very high96Very high168 Ų16862.4 Ų62.463%0.63429%0.292SS*.Hα-helixtrans-66.1-49.4173.8-174.3-177.967.4-168.3-2.1111.3S67 R71 R72 E73S67-R69 PolarHBondContact O-N 2.75Å; R69-R71 VanDerWaalsContact C-N 3.31Å; R69-R71 PolarHBondContact O-N 3.05Å; R69-R72 PolarHBondContact O-N 3.32Å; R69-E73 WeakPolarHBondContact CG-OE1 3.4Å; R69-E73 IonicContact NE-OE1 3.85Å; R69-E73 WeakPolarHBondContact O-CG 3.3Å; R69-E73 PolarHBondContact O-N 3.15Å
70E95.4Very high96Very high52 Ų5264.2 Ų64.224%0.24330%0.299CS..Hα-helixtrans-64.3-36.6178.9-69.6171.3103.800112.2R59 S67 E73 K74R59-E70 IonicContact CZ-OE1 2.92Å; R59-E70 IonicContact NH1-OE1 3.69Å; R59-E70 PolarHBondContact NH1-OE1 3.36Å; R59-E70 VanDerWaalsContact NH2-CD 3.27Å; R59-E70 IonicContact NH2-OE1 3.89Å; R59-E70 PolarHBondContact NH2-OE1 3.35Å; R59-E70 IonicContact NH2-OE2 3.81Å; R59-E70 PolarHBondContact NH2-OE2 2.99Å; R59-E70 VanDerWaalsContact NH2-OE2 3.13Å; S67-E70 PolarHBondContact N-OE2 3.15Å; S67-E70 PolarHBondContact O-N 2.9Å; S67-E70 VanDerWaalsContact OG-CG 3.31Å; S67-E70 WeakPolarHBondContact OG-CG 3.36Å; S67-E70 PolarHBondContact OG-N 3.14Å; S67-E70 PolarHBondContact OG-OE2 3.25Å; E70-E73 PolarHBondContact O-N 2.94Å; E70-K74 PolarHBondContact O-N 3.17Å
71R96.9Very high96.1Very high51 Ų5163.5 Ų63.519%0.19230%0.295CS..Hα-helixtrans-58.3-50.3172.2-74.4172176.7-165.3-7.2110.6F66 S67 E68 R69 E73 K74 T174 P175 E177 I180F66-R71 HydrophobicContact CB-CG 4.23Å; F66-R71 PolarHBondContact O-NE 2.8Å; S67-R71 WeakPolarHBondContact O-CG 3.3Å; S67-R71 PolarHBondContact O-N 2.88Å; E68-R71 WeakPolarHBondContact OE1-CD 3.31Å; E68-R71 IonicContact OE1-CZ 3.17Å; E68-R71 IonicContact OE1-NE 3.66Å; E68-R71 IonicContact OE1-NH1 2.78Å; E68-R71 PolarHBondContact OE1-NH1 2.84Å; R69-R71 VanDerWaalsContact C-N 3.31Å; R69-R71 PolarHBondContact O-N 3.05Å; R71-E73 VanDerWaalsContact C-N 3.35Å; R71-E73 PolarHBondContact O-N 3.05Å; R71-K74 WeakPolarHBondContact O-CB 3.31Å; R71-K74 PolarHBondContact O-N 3.47Å; R71-K74 VanDerWaalsContact O-N 3.07Å; R71-T174 HydrophobicContact CB-CG2 4.24Å; R71-P175 WeakPolarHBondContact O-CD 3.36Å; R71-P175 VanDerWaalsContact O-CG 3.27Å; R71-P175 WeakPolarHBondContact O-CG 3.34Å; R71-E177 IonicContact NH2-OE1 2.69Å; R71-I180 HydrophobicContact CB-CD1 4.49Å; R71-I180 HydrophobicContact CG-CD1 3.56Å
72R95Very high96.2Very high140 Ų14061.9 Ų61.953%0.52829%0.287SS..Hα-helixtrans-61.7-39.3177.9-75.6-171.3-66.5-89.32.9113.2E68 R69 K74 V75E68-R72 WeakPolarHBondContact O-CG 3.35Å; E68-R72 PolarHBondContact O-N 3.3Å; E68-R72 VanDerWaalsContact O-N 3.08Å; R69-R72 PolarHBondContact O-N 3.32Å; R72-K74 PolarHBondContact O-N 2.8Å; R72-V75 WeakPolarHBondContact O-CB 3.43Å; R72-V75 WeakPolarHBondContact O-CG2 3.41Å; R72-V75 PolarHBondContact O-N 3.37Å; R72-V75 VanDerWaalsContact O-N 3.13Å
73E95Very high96.4Very high116 Ų11660.5 Ų60.554%0.54228%0.28SS..Hα-helixtrans-60.1-26175.7-72.6166.8-170.700112.5R69 E70 R71R69-E73 WeakPolarHBondContact CG-OE1 3.4Å; R69-E73 IonicContact NE-OE1 3.85Å; R69-E73 WeakPolarHBondContact O-CG 3.3Å; R69-E73 PolarHBondContact O-N 3.15Å; E70-E73 PolarHBondContact O-N 2.94Å; R71-E73 VanDerWaalsContact C-N 3.35Å; R71-E73 PolarHBondContact O-N 3.05Å
74K96.8Very high96.5Very high62 Ų6260.1 Ų60.127%0.2728%0.278SS..THydrogen-bonded Turntrans-82.2-11.3177.6-69.9-62.2173.4-1610115.7E70 R71 R72 T76 D77 I78E70-K74 PolarHBondContact O-N 3.17Å; R71-K74 WeakPolarHBondContact O-CB 3.31Å; R71-K74 PolarHBondContact O-N 3.47Å; R71-K74 VanDerWaalsContact O-N 3.07Å; R72-K74 PolarHBondContact O-N 2.8Å; K74-T76 VanDerWaalsContact C-N 3.31Å; K74-T76 PolarHBondContact O-N 3.16Å; K74-D77 HydrophobicContact CD-CB 4.42Å; K74-D77 WeakPolarHBondContact CD-OD2 3.49Å; K74-D77 IonicContact NZ-OD2 3.89Å; K74-D77 PolarHBondContact NZ-OD2 3.11Å; K74-D77 PolarHBondContact O-N 3.33Å; K74-I78 HydrophobicContact CB-CD1 4.42Å; K74-I78 WeakPolarHBondContact O-CG1 3.44Å; K74-I78 PolarHBondContact O-N 3.18Å
75V97.5Very high96.7Very high15 Ų1552.1 Ų52.19%0.09124%0.236CC..Hα-helixtrans-57.9-44.7179.2173.70000111.3R72 D77 I78 R79 Y173 P175R72-V75 WeakPolarHBondContact O-CB 3.43Å; R72-V75 WeakPolarHBondContact O-CG2 3.41Å; R72-V75 PolarHBondContact O-N 3.37Å; R72-V75 VanDerWaalsContact O-N 3.13Å; V75-D77 PolarHBondContact O-N 3.12Å; V75-I78 PolarHBondContact O-N 3.22Å; V75-R79 HydrophobicContact CG1-CG 4.38Å; V75-R79 WeakPolarHBondContact O-CG 3.16Å; V75-R79 PolarHBondContact O-N 3.24Å; V75-Y173 HydrophobicContact CG1-CD1 4.23Å; V75-Y173 HydrophobicContact CG2-CD1 4.1Å; V75-Y173 WeakPolarHBondContact CG2-O 3.46Å; V75-P175 HydrophobicContact CG2-CG 3.69Å
76T95.6Very high96.9Very high72 Ų7252 Ų5244%0.44223%0.234SC..Hα-helixtrans-63.8-40.3179.4-55.90000112.1K74 R79 R80 F125K74-T76 VanDerWaalsContact C-N 3.31Å; K74-T76 PolarHBondContact O-N 3.16Å; T76-R79 PolarHBondContact O-N 2.98Å; T76-R80 WeakPolarHBondContact O-CB 3.45Å; T76-R80 PolarHBondContact O-N 3.32Å; T76-F125 HydrophobicContact CG2-CE2 4.36Å
77D97Very high97Very high25 Ų2552.1 Ų52.113%0.13424%0.235CC..Hα-helixtrans-65.5-40.3177-70.5-28.2000111.4K74 V75 R80 N81 V185K74-D77 HydrophobicContact CD-CB 4.42Å; K74-D77 WeakPolarHBondContact CD-OD2 3.49Å; K74-D77 IonicContact NZ-OD2 3.89Å; K74-D77 PolarHBondContact NZ-OD2 3.11Å; K74-D77 PolarHBondContact O-N 3.33Å; V75-D77 PolarHBondContact O-N 3.12Å; D77-R80 WeakPolarHBondContact O-CB 3.44Å; D77-R80 PolarHBondContact O-N 3.19Å; D77-R80 IonicContact OD1-CZ 2.81Å; D77-R80 IonicContact OD1-NH1 3.22Å; D77-R80 PolarHBondContact OD1-NH1 2.82Å; D77-N81 VanDerWaalsContact O-CG 3.26Å; D77-N81 PolarHBondContact O-N 3.35Å; D77-N81 PolarHBondContact O-ND2 2.85Å; D77-V185 HydrophobicContact CB-CG2 4.12Å
78I98.3Very high97.1Very high0 Ų051.8 Ų51.80%023%0.231CC..Hα-helixtrans-65.8-46.2177.4-68.9162.8000111K74 V75 R80 N81 I82 F161 V168 Y173 P175 D179 C183K74-I78 HydrophobicContact CB-CD1 4.42Å; K74-I78 WeakPolarHBondContact O-CG1 3.44Å; K74-I78 PolarHBondContact O-N 3.18Å; V75-I78 PolarHBondContact O-N 3.22Å; I78-R80 VanDerWaalsContact C-N 3.28Å; I78-R80 PolarHBondContact O-N 2.9Å; I78-N81 WeakPolarHBondContact O-CB 3.47Å; I78-N81 PolarHBondContact O-N 2.81Å; I78-N81 VanDerWaalsContact O-N 3.08Å; I78-I82 PolarHBondContact O-N 3.35Å; I78-F161 HydrophobicContact CB-CE1 4.41Å; I78-F161 HydrophobicContact CD1-CE1 4.47Å; I78-F161 HydrophobicContact CG1-CE1 4.1Å; I78-F161 HydrophobicContact CG1-CZ 4.04Å; I78-F161 HydrophobicContact CG2-CD1 3.59Å; I78-F161 HydrophobicContact CG2-CE1 3.51Å; I78-F161 HydrophobicContact CG2-CG 4.26Å; I78-F161 HydrophobicContact CG2-CZ 4.12Å; I78-V168 HydrophobicContact CG2-CG1 3.84Å; I78-V168 HydrophobicContact CG2-CG2 4.1Å; I78-Y173 HydrophobicContact CD1-CE1 4.23Å; I78-Y173 HydrophobicContact CG2-CE1 4.35Å; I78-P175 HydrophobicContact CD1-CB 3.65Å; I78-P175 HydrophobicContact CD1-CG 3.52Å; I78-D179 HydrophobicContact CD1-CB 4Å; I78-C183 HydrophobicContact CG1-CB 3.89Å
79R97.9Very high97.3Very high44 Ų4447.7 Ų47.717%0.16621%0.212CC..Hα-helixtrans-61.7-38.4175.9-71178.2174.8165.91.6111.6V75 T76 I82 R83 F125 F130 V168 Q170V75-R79 HydrophobicContact CG1-CG 4.38Å; V75-R79 WeakPolarHBondContact O-CG 3.16Å; V75-R79 PolarHBondContact O-N 3.24Å; T76-R79 PolarHBondContact O-N 2.98Å; R79-I82 WeakPolarHBondContact O-CB 3.34Å; R79-I82 PolarHBondContact O-N 3.08Å; R79-R83 PolarHBondContact O-N 3.44Å; R79-F125 VanDerWaalsContact C-CE1 3.47Å; R79-F125 HydrophobicContact CB-CD1 3.75Å; R79-F125 HydrophobicContact CB-CD2 3.91Å; R79-F125 HydrophobicContact CB-CE1 3.79Å; R79-F125 HydrophobicContact CB-CE2 3.96Å; R79-F125 HydrophobicContact CB-CG 3.8Å; R79-F125 HydrophobicContact CB-CZ 3.9Å; R79-F125 HydrophobicContact CG-CG 4.45Å; R79-F125 WeakPolarHBondContact O-CE1 3.28Å; R79-F130 HydrophobicContact CG-CE1 4.46Å; R79-F130 HydrophobicContact CG-CZ 3.94Å; R79-V168 HydrophobicContact CG-CG1 3.78Å; R79-V168 PolarHBondContact NE-O 2.91Å; R79-V168 PolarHBondContact NH2-O 2.84Å; R79-Q170 PolarHBondContact NH2-O 2.86Å
80R97.4Very high97.4Very high96 Ų9639.8 Ų39.836%0.36218%0.182SC..Hα-helixtrans-62-43.3171.2-168.2-172.9-621211.1111.7T76 D77 I78 I82 R83 D84 F125T76-R80 WeakPolarHBondContact O-CB 3.45Å; T76-R80 PolarHBondContact O-N 3.32Å; D77-R80 WeakPolarHBondContact O-CB 3.44Å; D77-R80 PolarHBondContact O-N 3.19Å; D77-R80 IonicContact OD1-CZ 2.81Å; D77-R80 IonicContact OD1-NH1 3.22Å; D77-R80 PolarHBondContact OD1-NH1 2.82Å; I78-R80 VanDerWaalsContact C-N 3.28Å; I78-R80 PolarHBondContact O-N 2.9Å; R80-I82 VanDerWaalsContact C-N 3.3Å; R80-I82 PolarHBondContact O-N 3.22Å; R80-R83 PolarHBondContact O-N 2.85Å; R80-D84 WeakPolarHBondContact CG-OD2 3.36Å; R80-D84 WeakPolarHBondContact O-CB 3.35Å; R80-D84 VanDerWaalsContact O-CG 3.23Å; R80-D84 PolarHBondContact O-N 2.8Å; R80-F125 HydrophobicContact CB-CZ 4.22Å
81N98.2Very high97.5Very high10 Ų1043.5 Ų43.55%0.05319%0.194CC..Hα-helixtrans-58.9-39175.6-67.8165.7000112.1D77 I78 S85 I155 F161 C183 R184D77-N81 VanDerWaalsContact O-CG 3.26Å; D77-N81 PolarHBondContact O-N 3.35Å; D77-N81 PolarHBondContact O-ND2 2.85Å; I78-N81 WeakPolarHBondContact O-CB 3.47Å; I78-N81 PolarHBondContact O-N 2.81Å; I78-N81 VanDerWaalsContact O-N 3.08Å; N81-S85 WeakPolarHBondContact O-CB 3.42Å; N81-S85 PolarHBondContact O-N 2.88Å; N81-S85 PolarHBondContact O-OG 2.92Å; N81-I155 HydrophobicContact CB-CD1 3.99Å; N81-F161 HydrophobicContact CB-CD2 4.21Å; N81-C183 PolarHBondContact OD1-SG 3.34Å; N81-R184 PolarHBondContact ND2-O 3.16Å; N81-R184 PolarHBondContact OD1-N 2.84Å; N81-R184 PolarHBondContact OD1-O 3.29Å
82I98.6Very high97.6Very high0 Ų041.4 Ų41.40%019%0.187CC..Hα-helixtrans-61.4-54.1173.5-69.2172.2000110.7I78 R79 R80 D84 S85 I86 F129 F130 V133 F161 L162 V165 V168I78-I82 PolarHBondContact O-N 3.35Å; R79-I82 WeakPolarHBondContact O-CB 3.34Å; R79-I82 PolarHBondContact O-N 3.08Å; R80-I82 VanDerWaalsContact C-N 3.3Å; R80-I82 PolarHBondContact O-N 3.22Å; I82-D84 PolarHBondContact O-N 3.31Å; I82-S85 PolarHBondContact O-N 2.83Å; I82-I86 WeakPolarHBondContact O-CG2 3.37Å; I82-I86 PolarHBondContact O-N 3.12Å; I82-F129 HydrophobicContact CG2-CE1 4.4Å; I82-F129 HydrophobicContact CG2-CZ 4.21Å; I82-F130 HydrophobicContact CD1-CE1 4.43Å; I82-V133 HydrophobicContact CG2-CG1 3.96Å; I82-F161 HydrophobicContact CD1-CB 4.29Å; I82-F161 HydrophobicContact CG1-CB 3.64Å; I82-L162 HydrophobicContact CG2-CD2 4.14Å; I82-V165 HydrophobicContact CD1-CG2 4.16Å; I82-V165 HydrophobicContact CG2-CG2 4.11Å; I82-V168 HydrophobicContact CD1-CB 3.79Å; I82-V168 HydrophobicContact CD1-CG1 3.53Å; I82-V168 HydrophobicContact CD1-CG2 4.1Å
83R98.2Very high97.8Very high30 Ų3034.8 Ų34.811%0.11316%0.162CC..Hα-helixtrans-57.2-50.1-178.7-178.6-161.473.6168.60.8112.1R79 R80 S85 I86 L87 A118 S120 F123 F125 F129R79-R83 PolarHBondContact O-N 3.44Å; R80-R83 PolarHBondContact O-N 2.85Å; R83-S85 VanDerWaalsContact C-N 3.32Å; R83-S85 PolarHBondContact O-N 3.39Å; R83-I86 VanDerWaalsContact O-CG2 3.29Å; R83-I86 WeakPolarHBondContact O-CG2 3.47Å; R83-L87 WeakPolarHBondContact O-CB 3.34Å; R83-L87 PolarHBondContact O-N 2.75Å; R83-A118 VanDerWaalsContact CD-O 3.25Å; R83-A118 WeakPolarHBondContact CD-O 3.3Å; R83-A118 HydrophobicContact CG-CB 4.36Å; R83-S120 PolarHBondContact NH1-O 3.48Å; R83-F123 HydrophobicContact CG-CD1 4.23Å; R83-F123 HydrophobicContact CG-CE1 4.33Å; R83-F125 HydrophobicContact CB-CE1 3.97Å; R83-F129 HydrophobicContact CB-CE2 4.18Å; R83-F129 HydrophobicContact CB-CZ 3.68Å; R83-F129 HydrophobicContact CG-CE2 4.14Å; R83-F129 HydrophobicContact CG-CZ 4.13Å
84D97.7Very high97.9Very high52 Ų5235.8 Ų35.828%0.27817%0.167SC..Hα-helixtrans-67.7-37.2-177.6-63.2-6.3000110.5R80 I82 V88R80-D84 WeakPolarHBondContact CG-OD2 3.36Å; R80-D84 WeakPolarHBondContact O-CB 3.35Å; R80-D84 VanDerWaalsContact O-CG 3.23Å; R80-D84 PolarHBondContact O-N 2.8Å; I82-D84 PolarHBondContact O-N 3.31Å; D84-V88 WeakPolarHBondContact O-CB 3.27Å; D84-V88 WeakPolarHBondContact O-CG2 3.47Å; D84-V88 PolarHBondContact O-N 3.22Å
85S98.6Very high97.8Very high1 Ų139 Ų391%0.00718%0.183CC..Hα-helixtrans-63.4-51.8177.2-62.20000112N81 I82 R83 L87 V88 I89 I155 A158N81-S85 WeakPolarHBondContact O-CB 3.42Å; N81-S85 PolarHBondContact O-N 2.88Å; N81-S85 PolarHBondContact O-OG 2.92Å; I82-S85 PolarHBondContact O-N 2.83Å; R83-S85 VanDerWaalsContact C-N 3.32Å; R83-S85 PolarHBondContact O-N 3.39Å; S85-L87 VanDerWaalsContact C-N 3.32Å; S85-L87 PolarHBondContact O-N 3.13Å; S85-V88 PolarHBondContact O-N 3.35Å; S85-I89 WeakPolarHBondContact O-CD1 3.5Å; S85-I89 VanDerWaalsContact O-CG1 3.23Å; S85-I89 WeakPolarHBondContact O-CG1 3.32Å; S85-I89 PolarHBondContact O-N 3.17Å; S85-I155 WeakPolarHBondContact OG-CD1 3.42Å; S85-I155 WeakPolarHBondContact OG-CG1 3.27Å; S85-A158 WeakPolarHBondContact OG-CA 3.18Å; S85-A158 WeakPolarHBondContact OG-CB 3.32Å
86I98.7Very high97.8Very high0 Ų038.8 Ų38.80%018%0.181CC..Hα-helixtrans-65.6-38.7-179.4-167.662.2000111.3I82 R83 I89 V90 I114 V133 L136 V142 L162I82-I86 WeakPolarHBondContact O-CG2 3.37Å; I82-I86 PolarHBondContact O-N 3.12Å; R83-I86 VanDerWaalsContact O-CG2 3.29Å; R83-I86 WeakPolarHBondContact O-CG2 3.47Å; I86-I89 PolarHBondContact O-N 2.79Å; I86-V90 HydrophobicContact CD1-CG1 4.25Å; I86-V90 HydrophobicContact CG1-CG1 4.36Å; I86-V90 WeakPolarHBondContact O-CG2 3.43Å; I86-V90 PolarHBondContact O-N 3.24Å; I86-I114 HydrophobicContact CG2-CD1 4.28Å; I86-I114 HydrophobicContact CG2-CG2 4.09Å; I86-V133 HydrophobicContact CB-CG1 4.38Å; I86-V133 HydrophobicContact CG1-CG1 4.36Å; I86-V133 HydrophobicContact CG2-CG1 4.5Å; I86-V133 HydrophobicContact CG2-CG2 3.89Å; I86-L136 HydrophobicContact CD1-CB 4.19Å; I86-L136 HydrophobicContact CG1-CD1 4.5Å; I86-V142 HydrophobicContact CD1-CG1 4.2Å; I86-L162 HydrophobicContact CB-CD2 4.05Å
87L98.3Very high97.8Very high22 Ų2241.2 Ų41.212%0.11520%0.196CC..Hα-helixtrans-60.3-46.6176.8-18066.5000111.7R83 S85 R91 I114 L115R83-L87 WeakPolarHBondContact O-CB 3.34Å; R83-L87 PolarHBondContact O-N 2.75Å; S85-L87 VanDerWaalsContact C-N 3.32Å; S85-L87 PolarHBondContact O-N 3.13Å; L87-R91 VanDerWaalsContact O-CB 3.24Å; L87-R91 WeakPolarHBondContact O-CB 3.36Å; L87-R91 PolarHBondContact O-N 2.95Å; L87-I114 HydrophobicContact CB-CG2 4.21Å; L87-I114 HydrophobicContact CD1-CG2 4.01Å; L87-I114 WeakPolarHBondContact CD1-O 3.3Å; L87-L115 HydrophobicContact CD1-CD2 4.17Å
88V98.3Very high97.8Very high46 Ų4644.4 Ų44.428%0.27922%0.218SC..Hα-helixtrans-62.4-44.7177.3166.40000110.9D84 S85 S92 Y152 Q153 L154D84-V88 WeakPolarHBondContact O-CB 3.27Å; D84-V88 WeakPolarHBondContact O-CG2 3.47Å; D84-V88 PolarHBondContact O-N 3.22Å; S85-V88 PolarHBondContact O-N 3.35Å; V88-S92 VanDerWaalsContact O-CB 3.3Å; V88-S92 WeakPolarHBondContact O-CB 3.2Å; V88-S92 PolarHBondContact O-N 2.91Å; V88-S92 PolarHBondContact O-OG 2.85Å; V88-Y152 HydrophobicContact CG1-CD2 3.62Å; V88-Y152 HydrophobicContact CG1-CE2 3.87Å; V88-Q153 WeakPolarHBondContact CG1-O 3.47Å; V88-L154 HydrophobicContact CB-CD1 4.31Å; V88-L154 HydrophobicContact CG1-CD1 4.09Å
89I98.7Very high97.8Very high0 Ų047 Ų470%023%0.234CC..Hα-helixtrans-61.5-54.1-179.9-65.6162.3000110.2S85 I86 R91 S92 M93 W137 V142 C145 Y146 Y152 L154 L162S85-I89 WeakPolarHBondContact O-CD1 3.5Å; S85-I89 VanDerWaalsContact O-CG1 3.23Å; S85-I89 WeakPolarHBondContact O-CG1 3.32Å; S85-I89 PolarHBondContact O-N 3.17Å; I86-I89 PolarHBondContact O-N 2.79Å; I89-R91 VanDerWaalsContact C-N 3.34Å; I89-R91 PolarHBondContact O-N 3.37Å; I89-S92 PolarHBondContact O-N 2.79Å; I89-S92 VanDerWaalsContact O-N 3.11Å; I89-M93 WeakPolarHBondContact O-CG 3.47Å; I89-M93 PolarHBondContact O-N 3.19Å; I89-W137 HydrophobicContact CD1-CE3 4.49Å; I89-W137 HydrophobicContact CD1-CZ3 3.86Å; I89-V142 HydrophobicContact CG2-CG1 3.8Å; I89-C145 HydrophobicContact CG2-CB 4.16Å; I89-C145 PolarHBondContact O-SG 3.37Å; I89-C145 VanDerWaalsContact O-SG 3.35Å; I89-Y146 HydrophobicContact CD1-CD2 4.19Å; I89-Y152 HydrophobicContact CG1-CE2 4.34Å; I89-L154 HydrophobicContact CD1-CD1 4.18Å; I89-L154 HydrophobicContact CD1-CD2 4.03Å; I89-L154 HydrophobicContact CG1-CD1 3.86Å; I89-L154 HydrophobicContact CG1-CD2 3.93Å; I89-L162 HydrophobicContact CD1-CD1 3.76Å
90V98.3Very high97.8Very high1 Ų145.8 Ų45.81%0.00623%0.232CC..Hα-helixtrans-67.4-33.3-175.9-59.20000113I86 S92 M93 M111 I114 L115 L136I86-V90 HydrophobicContact CD1-CG1 4.25Å; I86-V90 HydrophobicContact CG1-CG1 4.36Å; I86-V90 WeakPolarHBondContact O-CG2 3.43Å; I86-V90 PolarHBondContact O-N 3.24Å; V90-S92 VanDerWaalsContact C-N 3.34Å; V90-M93 HydrophobicContact CB-SD 4.47Å; V90-M93 HydrophobicContact CG1-SD 4.46Å; V90-M93 WeakPolarHBondContact O-CB 3.36Å; V90-M93 PolarHBondContact O-N 3.2Å; V90-M111 HydrophobicContact CB-CG 4.02Å; V90-M111 HydrophobicContact CG1-CG 4.42Å; V90-M111 HydrophobicContact CG2-CG 4.43Å; V90-I114 HydrophobicContact CG2-CB 4.39Å; V90-I114 HydrophobicContact CG2-CG2 3.79Å; V90-L115 HydrophobicContact CG2-CD2 3.9Å; V90-L115 HydrophobicContact CG2-CG 4.07Å; V90-L136 HydrophobicContact CG1-CD1 4.37Å
91R97.7Very high97.8Very high131 Ų13149.5 Ų49.549%0.49425%0.247SC..Hα-helixtrans-64.9-40.9172.3-180178.5-75.3176.5-4111.2L87 I89 M93 L115L87-R91 VanDerWaalsContact O-CB 3.24Å; L87-R91 WeakPolarHBondContact O-CB 3.36Å; L87-R91 PolarHBondContact O-N 2.95Å; I89-R91 VanDerWaalsContact C-N 3.34Å; I89-R91 PolarHBondContact O-N 3.37Å; R91-M93 PolarHBondContact O-N 3.15Å; R91-L115 HydrophobicContact CB-CD2 4.03Å
92S98.2Very high97.8Very high6 Ų650.4 Ų50.44%0.04225%0.252CS..Hα-helixtrans-69.3-21.9-177.6-55.80000112.8V88 I89 V90 E94 E95 L96 Y152V88-S92 VanDerWaalsContact O-CB 3.3Å; V88-S92 WeakPolarHBondContact O-CB 3.2Å; V88-S92 PolarHBondContact O-N 2.91Å; V88-S92 PolarHBondContact O-OG 2.85Å; I89-S92 PolarHBondContact O-N 2.79Å; I89-S92 VanDerWaalsContact O-N 3.11Å; V90-S92 VanDerWaalsContact C-N 3.34Å; S92-E94 VanDerWaalsContact C-N 3.26Å; S92-E94 PolarHBondContact O-N 2.86Å; S92-E95 PolarHBondContact O-N 2.88Å; S92-L96 VanDerWaalsContact O-CG 3.27Å; S92-L96 WeakPolarHBondContact O-CG 3.33Å; S92-L96 PolarHBondContact O-N 2.92Å; S92-Y152 VanDerWaalsContact OG-CD2 3.25Å; S92-Y152 WeakPolarHBondContact OG-CD2 3.24Å; S92-Y152 VanDerWaalsContact OG-CG 3.27Å
93M98.4Very high97.8Very high2 Ų256.5 Ų56.51%0.0128%0.281CS..Hα-helixtrans-52.3-42.7178.7-71.4-178.67200112.7I89 V90 R91 P99 V100 L102 V142 C145I89-M93 WeakPolarHBondContact O-CG 3.47Å; I89-M93 PolarHBondContact O-N 3.19Å; V90-M93 HydrophobicContact CB-SD 4.47Å; V90-M93 HydrophobicContact CG1-SD 4.46Å; V90-M93 WeakPolarHBondContact O-CB 3.36Å; V90-M93 PolarHBondContact O-N 3.2Å; R91-M93 PolarHBondContact O-N 3.15Å; M93-P99 WeakPolarHBondContact O-CA 2.99Å; M93-V100 WeakPolarHBondContact CB-O 3.35Å; M93-V100 HydrophobicContact CE-CG1 4.19Å; M93-V100 PolarHBondContact O-N 3.16Å; M93-L102 HydrophobicContact CE-CD2 4.08Å; M93-L102 HydrophobicContact CE-CG 4.27Å; M93-L102 HydrophobicContact SD-CD2 4.44Å; M93-V142 HydrophobicContact CE-CG2 4.36Å; M93-V142 HydrophobicContact SD-CG2 3.86Å; M93-C145 HydrophobicContact CG-CB 3.61Å; M93-C145 VanDerWaalsContact CG-SG 3.53Å
94E97Very high97.8Very high137 Ų13758.3 Ų58.364%0.6429%0.293SS*.Hα-helixtrans-82.1-26.1178.5-65.4-178.4176.900113.2S92S92-E94 VanDerWaalsContact C-N 3.26Å; S92-E94 PolarHBondContact O-N 2.86Å
95E95.9Very high97.8Very high129 Ų12960.9 Ų60.960%0.60331%0.312SS*.Hα-helixtrans-80.8-23.3-177.3-64-180179.100113.2S92S92-E95 PolarHBondContact O-N 2.88Å
96L96.4Very high97.8Very high10 Ų1064.4 Ų64.45%0.05234%0.337CS..SBendtrans-65.2150.5178.9-75.9173.2000111.9S92 P98 P99 V100 C145 R148 E151 Y152S92-L96 VanDerWaalsContact O-CG 3.27Å; S92-L96 WeakPolarHBondContact O-CG 3.33Å; S92-L96 PolarHBondContact O-N 2.92Å; L96-P98 CarbonylContact C-O 3.18Å; L96-P98 CarbonylContact O-C 3.08Å; L96-P99 VanDerWaalsContact O-CA 3.26Å; L96-P99 WeakPolarHBondContact O-CA 3.34Å; L96-P99 WeakPolarHBondContact O-CD 3.42Å; L96-P99 WeakPolarHBondContact O-CG 3.47Å; L96-V100 HydrophobicContact CD1-CG2 3.94Å; L96-C145 HydrophobicContact CD1-CB 4.47Å; L96-C145 VanDerWaalsContact CD1-SG 3.59Å; L96-R148 HydrophobicContact CD1-CB 4.11Å; L96-E151 HydrophobicContact CD2-CB 3.62Å; L96-E151 HydrophobicContact CD2-CG 4.32Å; L96-E151 WeakPolarHBondContact CD2-OE2 3.42Å; L96-Y152 HydrophobicContact CD1-CE1 4.32Å; L96-Y152 HydrophobicContact CD2-CD1 4.14Å
97T96.2Very high97.7Very high123 Ų12365 Ų6576%0.75534%0.34SS*.SBendtrans-117.6115.2173.1-56.40000110.1R148T97-R148 PolarHBondContact O-NH2 3.16Å
98P97Very high97.7Very high93 Ų9366 Ų6660%0.60435%0.352SS*.SBendcis-66.3157.7-10.731.6-35.8000111.6L96 R148L96-P98 CarbonylContact C-O 3.18Å; L96-P98 CarbonylContact O-C 3.08Å; P98-R148 PolarHBondContact O-NH1 3.4Å
99P97.7Very high97.7Very high53 Ų5367.7 Ų67.734%0.34436%0.362SS..  trans-61.6155.3174.4-24.834.7000112.2M93 L96 Y101M93-P99 WeakPolarHBondContact O-CA 2.99Å; L96-P99 VanDerWaalsContact O-CA 3.26Å; L96-P99 WeakPolarHBondContact O-CA 3.34Å; L96-P99 WeakPolarHBondContact O-CD 3.42Å; L96-P99 WeakPolarHBondContact O-CG 3.47Å; P99-Y101 HydrophobicContact CB-CE2 4.31Å
100V97.9Very high97.7Very high20 Ų2069.5 Ų69.512%0.12137%0.37CS..  trans-108.7136.7173.9-173.40000108.3M93 L96 G141 A144 C145M93-V100 WeakPolarHBondContact CB-O 3.35Å; M93-V100 HydrophobicContact CE-CG1 4.19Å; M93-V100 PolarHBondContact O-N 3.16Å; L96-V100 HydrophobicContact CD1-CG2 3.94Å; V100-G141 WeakPolarHBondContact CG1-O 3.49Å; V100-A144 HydrophobicContact CG1-CB 4.13Å; V100-C145 HydrophobicContact CB-CB 4.37Å; V100-C145 HydrophobicContact CG1-CB 4.36Å; V100-C145 HydrophobicContact CG2-CB 4.48Å
101Y98Very high97.7Very high173 Ų17370.9 Ų70.968%0.67838%0.377SS*.  trans-111.7153.8179.7-58.9-81.4000109.9P99 E103 G141P99-Y101 HydrophobicContact CB-CE2 4.31Å; Y101-E103 PolarHBondContact O-N 2.74Å; Y101-G141 VanDerWaalsContact O-CA 3.27Å; Y101-G141 WeakPolarHBondContact O-CA 3.5Å
102L98.6Very high97.7Very high29 Ų2972 Ų7215%0.15238%0.381CS..  trans-56.5134.5170.4-67.3168.8000109.6M93 N104 N107 A108 M111 L136 V142M93-L102 HydrophobicContact CE-CD2 4.08Å; M93-L102 HydrophobicContact CE-CG 4.27Å; M93-L102 HydrophobicContact SD-CD2 4.44Å; L102-N104 VanDerWaalsContact C-N 3.34Å; L102-N107 HydrophobicContact CD1-CB 4.1Å; L102-N107 HydrophobicContact CD2-CB 4.24Å; L102-A108 HydrophobicContact CD1-CB 4.17Å; L102-M111 HydrophobicContact CD1-CB 4.2Å; L102-M111 HydrophobicContact CD1-CE 4.46Å; L102-M111 HydrophobicContact CD1-SD 3.95Å; L102-M111 HydrophobicContact CD2-SD 4.42Å; L102-M111 HydrophobicContact CG-SD 4.17Å; L102-L136 HydrophobicContact CD2-CD2 4.09Å; L102-V142 HydrophobicContact CD2-CG2 3.83Å
103E98.3Very high97.7Very high129 Ų12973.5 Ų73.560%0.60339%0.386SS*.SBendtrans-67.5-41.3173.3-178-170.4-146.400110.2Y101 P105 D139 Q140Y101-E103 PolarHBondContact O-N 2.74Å; E103-P105 WeakPolarHBondContact O-CD 3.46Å; E103-D139 PolarHBondContact N-OD1 2.97Å; E103-D139 PolarHBondContact N-OD2 3.06Å; E103-Q140 HydrophobicContact CB-CB 4.13Å; E103-Q140 HydrophobicContact CG-CB 4.33Å; E103-Q140 WeakPolarHBondContact OE2-CB 3.25Å; E103-Q140 WeakPolarHBondContact OE2-CG 3.26Å; E103-Q140 PolarHBondContact OE2-N 3.44Å
104N98Very high97.7Very high68 Ų6873.4 Ų73.436%0.36439%0.386SS..SBendtrans-103.6109.2176.3-179.9-3.3000110.6L102 S106 N107 D139L102-N104 VanDerWaalsContact C-N 3.34Å; N104-S106 PolarHBondContact ND2-OG 3.21Å; N104-S106 PolarHBondContact O-N 2.68Å; N104-S106 WeakPolarHBondContact OD1-CB 3.3Å; N104-S106 PolarHBondContact OD1-N 2.88Å; N104-S106 PolarHBondContact OD1-OG 3.5Å; N104-N107 VanDerWaalsContact O-CB 3.29Å; N104-N107 WeakPolarHBondContact O-CB 3.4Å; N104-N107 PolarHBondContact O-N 3.36Å; N104-D139 PolarHBondContact N-OD2 2.63Å; N104-D139 VanDerWaalsContact N-OD2 3.15Å
105P97.5Very high97.7Very high106 Ų10668.8 Ų68.869%0.68837%0.365SS*.G310 helixtrans-58.1-25.5179.8-26.735.6000114.7E103 N107 A108E103-P105 WeakPolarHBondContact O-CD 3.46Å; P105-N107 PolarHBondContact O-N 3.06Å; P105-A108 VanDerWaalsContact O-CB 3.24Å; P105-A108 WeakPolarHBondContact O-CB 3.24Å; P105-A108 PolarHBondContact O-N 2.92Å; P105-A108 VanDerWaalsContact O-N 3.15Å
106S98Very high97.7Very high74 Ų7468 Ų6852%0.51737%0.365SS..G310 helixtrans-65.2-22.2176.266.50000113N104 A108N104-S106 PolarHBondContact ND2-OG 3.21Å; N104-S106 PolarHBondContact O-N 2.68Å; N104-S106 WeakPolarHBondContact OD1-CB 3.3Å; N104-S106 PolarHBondContact OD1-N 2.88Å; N104-S106 PolarHBondContact OD1-OG 3.5Å; S106-A108 PolarHBondContact O-N 3.25Å
107N98.5Very high97.7Very high12 Ų1270.8 Ų70.86%0.06438%0.383CS..G310 helixtrans-70.3-10.2175.9-69.6-16.7000113.4L102 N104 P105 V109 H110 M111 I135 L136 D139L102-N107 HydrophobicContact CD1-CB 4.1Å; L102-N107 HydrophobicContact CD2-CB 4.24Å; N104-N107 VanDerWaalsContact O-CB 3.29Å; N104-N107 WeakPolarHBondContact O-CB 3.4Å; N104-N107 PolarHBondContact O-N 3.36Å; P105-N107 PolarHBondContact O-N 3.06Å; N107-V109 PolarHBondContact O-N 3.45Å; N107-V109 VanDerWaalsContact O-N 3.16Å; N107-H110 WeakPolarHBondContact O-CA 3.35Å; N107-H110 WeakPolarHBondContact O-CB 3.29Å; N107-H110 PolarHBondContact O-N 2.84Å; N107-M111 PolarHBondContact O-N 2.88Å; N107-I135 WeakPolarHBondContact OD1-CG2 3.42Å; N107-L136 HydrophobicContact CB-CD2 4.18Å; N107-D139 PolarHBondContact ND2-OD2 3.29Å
108A98.1Very high97.7Very high45 Ų4565 Ų6537%0.37235%0.347SS..Hα-helixtrans-56.6-32.4177.300000112.6L102 P105 S106 H110 M111 R112L102-A108 HydrophobicContact CD1-CB 4.17Å; P105-A108 VanDerWaalsContact O-CB 3.24Å; P105-A108 WeakPolarHBondContact O-CB 3.24Å; P105-A108 PolarHBondContact O-N 2.92Å; P105-A108 VanDerWaalsContact O-N 3.15Å; S106-A108 PolarHBondContact O-N 3.25Å; A108-H110 VanDerWaalsContact C-N 3.35Å; A108-M111 PolarHBondContact O-N 3.19Å; A108-R112 WeakPolarHBondContact O-CB 3.41Å; A108-R112 PolarHBondContact O-N 3.02Å
109V98.2Very high97.6Very high81 Ų8162.9 Ų62.949%0.49133%0.334SS..Hα-helixtrans-66.8-37.7176.2-177.60000111.5N107 Y113N107-V109 PolarHBondContact O-N 3.45Å; N107-V109 VanDerWaalsContact O-N 3.16Å; V109-Y113 PolarHBondContact O-N 2.89Å; V109-Y113 VanDerWaalsContact O-N 3.16Å
110H98.4Very high97.4Very high38 Ų3862.7 Ų62.718%0.17633%0.334CS..Hα-helixtrans-71.9-43.3176.2-53.2-50.7000110.7N107 A108 R112 Y113 I114 R132 I135 L136N107-H110 WeakPolarHBondContact O-CA 3.35Å; N107-H110 WeakPolarHBondContact O-CB 3.29Å; N107-H110 PolarHBondContact O-N 2.84Å; A108-H110 VanDerWaalsContact C-N 3.35Å; H110-R112 PolarHBondContact O-N 3.36Å; H110-Y113 WeakPolarHBondContact O-CB 3.12Å; H110-Y113 PolarHBondContact O-N 3.4Å; H110-I114 WeakPolarHBondContact O-CG1 3.44Å; H110-I114 PolarHBondContact O-N 2.69Å; H110-R132 HydrophobicContact CB-CB 4.2Å; H110-R132 HydrophobicContact CB-CG 4.33Å; H110-R132 PolarHBondContact ND1-NH1 3.18Å; H110-I135 VanDerWaalsContact CD2-CG2 3.45Å; H110-I135 WeakPolarHBondContact CD2-CG2 3.42Å; H110-L136 HydrophobicContact CB-CD1 4Å; H110-L136 HydrophobicContact CB-CD2 4.09Å; H110-L136 HydrophobicContact CB-CG 3.82Å
111M98.1Very high97Very high29 Ų2967.2 Ų67.214%0.14336%0.364CS..Hα-helixtrans-58.1-47.7176.2-173.6174.98600111.4V90 L102 N107 A108 Y113 I114 L115 L136V90-M111 HydrophobicContact CB-CG 4.02Å; V90-M111 HydrophobicContact CG1-CG 4.42Å; V90-M111 HydrophobicContact CG2-CG 4.43Å; L102-M111 HydrophobicContact CD1-CB 4.2Å; L102-M111 HydrophobicContact CD1-CE 4.46Å; L102-M111 HydrophobicContact CD1-SD 3.95Å; L102-M111 HydrophobicContact CD2-SD 4.42Å; L102-M111 HydrophobicContact CG-SD 4.17Å; N107-M111 PolarHBondContact O-N 2.88Å; A108-M111 PolarHBondContact O-N 3.19Å; M111-Y113 VanDerWaalsContact C-N 3.34Å; M111-Y113 PolarHBondContact O-N 2.96Å; M111-I114 PolarHBondContact O-N 2.78Å; M111-I114 VanDerWaalsContact O-N 3.13Å; M111-L115 HydrophobicContact CE-CD1 4.48Å; M111-L115 HydrophobicContact CG-CD1 3.98Å; M111-L115 WeakPolarHBondContact O-CG 3.1Å; M111-L115 PolarHBondContact O-N 3.01Å; M111-L136 HydrophobicContact CB-CD2 4.11Å
112R97.9Very high96.5Very high156 Ų15666.1 Ų66.159%0.58937%0.37SS*.Hα-helixtrans-59.1-43.4176.2-173.6174.966.9174.11.6112.2A108 H110 I114 L115 D116A108-R112 WeakPolarHBondContact O-CB 3.41Å; A108-R112 PolarHBondContact O-N 3.02Å; H110-R112 PolarHBondContact O-N 3.36Å; R112-I114 VanDerWaalsContact C-N 3.33Å; R112-I114 PolarHBondContact O-N 3.49Å; R112-L115 PolarHBondContact O-N 2.88Å; R112-D116 WeakPolarHBondContact CG-OD2 3.47Å; R112-D116 VanDerWaalsContact O-CB 3.28Å; R112-D116 WeakPolarHBondContact O-CB 3.38Å; R112-D116 PolarHBondContact O-N 2.93Å
113Y98.2Very high96.3Very high36 Ų3665.9 Ų65.914%0.14137%0.368CS..Hα-helixtrans-58.9-44.2174.7172.7-83000112.1V109 H110 M111 V117 A118 F123 F129 R132V109-Y113 PolarHBondContact O-N 2.89Å; V109-Y113 VanDerWaalsContact O-N 3.16Å; H110-Y113 WeakPolarHBondContact O-CB 3.12Å; H110-Y113 PolarHBondContact O-N 3.4Å; M111-Y113 VanDerWaalsContact C-N 3.34Å; M111-Y113 PolarHBondContact O-N 2.96Å; Y113-V117 HydrophobicContact CD2-CB 3.96Å; Y113-V117 HydrophobicContact CD2-CG1 4.34Å; Y113-V117 HydrophobicContact CD2-CG2 3.9Å; Y113-V117 HydrophobicContact CE2-CB 3.96Å; Y113-V117 HydrophobicContact CE2-CG1 3.85Å; Y113-V117 HydrophobicContact CE2-CG2 4.23Å; Y113-V117 HydrophobicContact CG-CB 4.33Å; Y113-V117 HydrophobicContact CG-CG2 4.46Å; Y113-V117 WeakPolarHBondContact O-CA 3.46Å; Y113-V117 VanDerWaalsContact O-CB 3.28Å; Y113-V117 WeakPolarHBondContact O-CB 3.46Å; Y113-V117 PolarHBondContact O-N 2.65Å; Y113-A118 HydrophobicContact CE1-CB 4.37Å; Y113-A118 PolarHBondContact O-N 3.32Å; Y113-A118 VanDerWaalsContact O-N 3.08Å; Y113-F123 HydrophobicContact CE1-CZ 4.49Å; Y113-F129 HydrophobicContact CE1-CB 4.29Å; Y113-F129 HydrophobicContact CE1-CD2 4.25Å; Y113-R132 HydrophobicContact CD1-CG 4.46Å
114I98.1Very high96.1Very high0 Ų066.8 Ų66.80%037%0.372CS..Hα-helixtrans-62.8-44.9178.6-65.6-60000110.8I86 L87 V90 H110 M111 R112 A118 S119 F129 V133 L136I86-I114 HydrophobicContact CG2-CD1 4.28Å; I86-I114 HydrophobicContact CG2-CG2 4.09Å; L87-I114 HydrophobicContact CB-CG2 4.21Å; L87-I114 HydrophobicContact CD1-CG2 4.01Å; L87-I114 WeakPolarHBondContact CD1-O 3.3Å; V90-I114 HydrophobicContact CG2-CB 4.39Å; V90-I114 HydrophobicContact CG2-CG2 3.79Å; H110-I114 WeakPolarHBondContact O-CG1 3.44Å; H110-I114 PolarHBondContact O-N 2.69Å; M111-I114 PolarHBondContact O-N 2.78Å; M111-I114 VanDerWaalsContact O-N 3.13Å; R112-I114 VanDerWaalsContact C-N 3.33Å; R112-I114 PolarHBondContact O-N 3.49Å; I114-A118 HydrophobicContact CD1-CB 4.04Å; I114-A118 WeakPolarHBondContact O-CB 3.31Å; I114-A118 PolarHBondContact O-N 3.34Å; I114-S119 PolarHBondContact O-N 2.82Å; I114-F129 HydrophobicContact CD1-CD2 3.92Å; I114-F129 HydrophobicContact CD1-CE2 3.84Å; I114-V133 HydrophobicContact CD1-CG2 3.95Å; I114-L136 HydrophobicContact CB-CD1 4.39Å; I114-L136 HydrophobicContact CG1-CD1 3.5Å
115L97.2Very high96Very high40 Ų4065.7 Ų65.721%0.20936%0.364CS..Hα-helixtrans-68.1-42.4-179.1-70.2170.2000113.1L87 V90 R91 M111 R112 S119L87-L115 HydrophobicContact CD1-CD2 4.17Å; V90-L115 HydrophobicContact CG2-CD2 3.9Å; V90-L115 HydrophobicContact CG2-CG 4.07Å; R91-L115 HydrophobicContact CB-CD2 4.03Å; M111-L115 HydrophobicContact CE-CD1 4.48Å; M111-L115 HydrophobicContact CG-CD1 3.98Å; M111-L115 WeakPolarHBondContact O-CG 3.1Å; M111-L115 PolarHBondContact O-N 3.01Å; R112-L115 PolarHBondContact O-N 2.88Å; L115-S119 WeakPolarHBondContact O-CB 3.36Å; L115-S119 PolarHBondContact O-OG 2.55Å
116D96.3Very high95.9Very high113 Ų11363.4 Ų63.460%0.60435%0.348SS*.Hα-helixtrans-94.3-35.7-170.2-62.9-14.1000113.1R112R112-D116 WeakPolarHBondContact CG-OD2 3.47Å; R112-D116 VanDerWaalsContact O-CB 3.28Å; R112-D116 WeakPolarHBondContact O-CB 3.38Å; R112-D116 PolarHBondContact O-N 2.93Å
117V96.2Very high95.9Very high69 Ų6964.3 Ų64.342%0.41835%0.347SS..THydrogen-bonded Turntrans-104.9-50.9-173.4-173.70000110.9Y113 S119 S120 F123Y113-V117 HydrophobicContact CD2-CB 3.96Å; Y113-V117 HydrophobicContact CD2-CG1 4.34Å; Y113-V117 HydrophobicContact CD2-CG2 3.9Å; Y113-V117 HydrophobicContact CE2-CB 3.96Å; Y113-V117 HydrophobicContact CE2-CG1 3.85Å; Y113-V117 HydrophobicContact CE2-CG2 4.23Å; Y113-V117 HydrophobicContact CG-CB 4.33Å; Y113-V117 HydrophobicContact CG-CG2 4.46Å; Y113-V117 WeakPolarHBondContact O-CA 3.46Å; Y113-V117 VanDerWaalsContact O-CB 3.28Å; Y113-V117 WeakPolarHBondContact O-CB 3.46Å; Y113-V117 PolarHBondContact O-N 2.65Å; V117-S119 PolarHBondContact O-N 3.06Å; V117-S120 WeakPolarHBondContact O-CB 3.39Å; V117-S120 PolarHBondContact O-N 3.21Å; V117-F123 HydrophobicContact CG1-CE2 4.38Å
118A95.5Very high95.8Very high0 Ų066.9 Ų66.90%036%0.361CS..THydrogen-bonded Turntrans-72.5-12.8-176.200000113.9R83 Y113 I114 S120 F123 F129R83-A118 VanDerWaalsContact CD-O 3.25Å; R83-A118 WeakPolarHBondContact CD-O 3.3Å; R83-A118 HydrophobicContact CG-CB 4.36Å; Y113-A118 HydrophobicContact CE1-CB 4.37Å; Y113-A118 PolarHBondContact O-N 3.32Å; Y113-A118 VanDerWaalsContact O-N 3.08Å; I114-A118 HydrophobicContact CD1-CB 4.04Å; I114-A118 WeakPolarHBondContact O-CB 3.31Å; I114-A118 PolarHBondContact O-N 3.34Å; A118-S120 PolarHBondContact O-N 3.12Å; A118-F123 VanDerWaalsContact CA-CE2 3.49Å; A118-F123 HydrophobicContact CB-CD2 4.28Å; A118-F123 HydrophobicContact CB-CE1 4.25Å; A118-F123 HydrophobicContact CB-CE2 3.79Å; A118-F123 HydrophobicContact CB-CZ 3.74Å; A118-F129 HydrophobicContact CB-CD2 4.15Å; A118-F129 HydrophobicContact CB-CE2 4.14Å
119S94.1Very high95.8Very high49 Ų4964.7 Ų64.734%0.34334%0.343SS..THydrogen-bonded Turntrans-76.5-8.7173.664.70000114I114 L115 V117I114-S119 PolarHBondContact O-N 2.82Å; L115-S119 WeakPolarHBondContact O-CB 3.36Å; L115-S119 PolarHBondContact O-OG 2.55Å; V117-S119 PolarHBondContact O-N 3.06Å
120S94.4Very high95.8Very high49 Ų4961 Ų6134%0.34332%0.32SS..  trans-62.3139.8179.8-176.90000112.5R83 V117 A118 D122 F123R83-S120 PolarHBondContact NH1-O 3.48Å; V117-S120 WeakPolarHBondContact O-CB 3.39Å; V117-S120 PolarHBondContact O-N 3.21Å; A118-S120 PolarHBondContact O-N 3.12Å; S120-D122 VanDerWaalsContact C-N 3.32Å; S120-D122 PolarHBondContact O-N 3.09Å; S120-F123 VanDerWaalsContact O-CB 3.29Å; S120-F123 WeakPolarHBondContact O-CB 3.24Å; S120-F123 PolarHBondContact O-N 3.46Å
121P88.6Confident95.8Very high116 Ų11662.4 Ų62.475%0.75333%0.329SS*.THydrogen-bonded Turntrans-58.3-41.8173.5-24.634.4000113.2F123P121-F123 PolarHBondContact O-N 3.43Å
122D89.1Confident95.8Very high150 Ų15063.1 Ų63.180%0.80233%0.33SS*.THydrogen-bonded Turntrans-92.133.2-176.3-58.6-42.4000112.2S120S120-D122 VanDerWaalsContact C-N 3.32Å; S120-D122 PolarHBondContact O-N 3.09Å
123F93.4Very high95.9Very high23 Ų2355.7 Ų55.710%0.10130%0.302CS..  trans-70.4131.4-174.5-178.6-107.2000113.2R83 Y113 V117 A118 S120 P121 F125 F129R83-F123 HydrophobicContact CG-CD1 4.23Å; R83-F123 HydrophobicContact CG-CE1 4.33Å; Y113-F123 HydrophobicContact CE1-CZ 4.49Å; V117-F123 HydrophobicContact CG1-CE2 4.38Å; A118-F123 VanDerWaalsContact CA-CE2 3.49Å; A118-F123 HydrophobicContact CB-CD2 4.28Å; A118-F123 HydrophobicContact CB-CE1 4.25Å; A118-F123 HydrophobicContact CB-CE2 3.79Å; A118-F123 HydrophobicContact CB-CZ 3.74Å; S120-F123 VanDerWaalsContact O-CB 3.29Å; S120-F123 WeakPolarHBondContact O-CB 3.24Å; S120-F123 PolarHBondContact O-N 3.46Å; P121-F123 PolarHBondContact O-N 3.43Å; F123-F125 AromaticContact CD1-CD1 3.97Å; F123-F125 HydrophobicContact CD1-CD1 3.97Å; F123-F125 AromaticContact CD1-CE1 3.99Å; F123-F125 HydrophobicContact CD1-CE1 3.99Å; F123-F125 AromaticContact CE1-CD1 3.88Å; F123-F125 HydrophobicContact CE1-CD1 3.88Å; F123-F125 HydrophobicContact CE1-CE1 4.25Å; F123-F129 HydrophobicContact CE1-CB 4.22Å; F123-F129 AromaticContact CE1-CD1 4Å; F123-F129 HydrophobicContact CE1-CD1 4Å; F123-F129 AromaticContact CE1-CD2 3.6Å; F123-F129 HydrophobicContact CE1-CD2 3.6Å; F123-F129 HydrophobicContact CE1-CE1 4.28Å; F123-F129 AromaticContact CE1-CE2 3.9Å; F123-F129 HydrophobicContact CE1-CE2 3.9Å; F123-F129 AromaticContact CE1-CG 3.65Å; F123-F129 HydrophobicContact CE1-CG 3.65Å; F123-F129 HydrophobicContact CE1-CZ 4.23Å; F123-F129 HydrophobicContact CZ-CB 3.69Å; F123-F129 HydrophobicContact CZ-CD1 4.3Å; F123-F129 AromaticContact CZ-CD2 3.37Å; F123-F129 HydrophobicContact CZ-CD2 3.37Å; F123-F129 HydrophobicContact CZ-CE2 4.06Å; F123-F129 AromaticContact CZ-CG 3.5Å; F123-F129 HydrophobicContact CZ-CG 3.5Å; F123-F129 VanDerWaalsContact CZ-CG 3.5Å
124E94Very high95.9Very high148 Ų14856.3 Ų56.369%0.69231%0.306SS*.  trans-94.1131.8173.3-65.3-173.7172.600111.8T126E124-T126 HydrophobicContact CB-CG2 4.41Å; E124-T126 PolarHBondContact O-N 3Å
125F95.8Very high95.9Very high46 Ų4659.5 Ų59.520%0.20232%0.323CS..  trans-82.280.6-179.2-56.7-75.4000111.5T76 R79 R80 R83 F123 F129 F130T76-F125 HydrophobicContact CG2-CE2 4.36Å; R79-F125 VanDerWaalsContact C-CE1 3.47Å; R79-F125 HydrophobicContact CB-CD1 3.75Å; R79-F125 HydrophobicContact CB-CD2 3.91Å; R79-F125 HydrophobicContact CB-CE1 3.79Å; R79-F125 HydrophobicContact CB-CE2 3.96Å; R79-F125 HydrophobicContact CB-CG 3.8Å; R79-F125 HydrophobicContact CB-CZ 3.9Å; R79-F125 HydrophobicContact CG-CG 4.45Å; R79-F125 WeakPolarHBondContact O-CE1 3.28Å; R80-F125 HydrophobicContact CB-CZ 4.22Å; R83-F125 HydrophobicContact CB-CE1 3.97Å; F123-F125 AromaticContact CD1-CD1 3.97Å; F123-F125 HydrophobicContact CD1-CD1 3.97Å; F123-F125 AromaticContact CD1-CE1 3.99Å; F123-F125 HydrophobicContact CD1-CE1 3.99Å; F123-F125 AromaticContact CE1-CD1 3.88Å; F123-F125 HydrophobicContact CE1-CD1 3.88Å; F123-F125 HydrophobicContact CE1-CE1 4.25Å; F125-F129 HydrophobicContact CD1-CD1 4.23Å; F125-F129 AromaticContact CD1-CE1 3.91Å; F125-F129 HydrophobicContact CD1-CE1 3.91Å; F125-F130 HydrophobicContact CB-CE2 4Å; F125-F130 HydrophobicContact CB-CZ 3.92Å
126T96.4Very high96Very high57 Ų5757.6 Ų57.635%0.3531%0.313SS..  trans-83.7164.4179.561.90000112.9E124 D128 F129 F130E124-T126 HydrophobicContact CB-CG2 4.41Å; E124-T126 PolarHBondContact O-N 3Å; T126-D128 VanDerWaalsContact C-N 3.32Å; T126-D128 PolarHBondContact O-N 3.2Å; T126-F129 WeakPolarHBondContact O-CB 3.43Å; T126-F129 PolarHBondContact O-N 3.4Å; T126-F129 PolarHBondContact OG1-N 3.21Å; T126-F130 WeakPolarHBondContact O-CD2 3.2Å; T126-F130 PolarHBondContact O-N 2.88Å
127D97Very high96.1Very high93 Ų9353 Ų5350%0.49729%0.287SS..Hα-helixtrans-60.2-39.5172.7-85.9-46.7000112.9F129 F130 D131 R169D127-F129 VanDerWaalsContact C-N 3.27Å; D127-F129 PolarHBondContact O-N 3.43Å; D127-F130 PolarHBondContact O-N 2.84Å; D127-F130 VanDerWaalsContact O-N 3.1Å; D127-D131 VanDerWaalsContact O-CG 3.31Å; D127-D131 PolarHBondContact O-N 3.44Å; D127-R169 PolarHBondContact O-NH2 2.69Å; D127-R169 IonicContact OD1-CZ 3.4Å; D127-R169 IonicContact OD1-NE 2.79Å; D127-R169 PolarHBondContact OD1-NE 3.22Å; D127-R169 IonicContact OD1-NH2 3.35Å; D127-R169 PolarHBondContact OD1-NH2 2.88Å
128D97.1Very high96.2Very high66 Ų6657 Ų5735%0.35330%0.299SS..Hα-helixtrans-59.8-37.4176.1176.273.2000111.6T126 R132T126-D128 VanDerWaalsContact C-N 3.32Å; T126-D128 PolarHBondContact O-N 3.2Å; D128-R132 VanDerWaalsContact CG-NE 3.29Å; D128-R132 WeakPolarHBondContact O-CD 3.4Å; D128-R132 WeakPolarHBondContact O-CG 3.37Å; D128-R132 PolarHBondContact O-N 3.44Å; D128-R132 VanDerWaalsContact O-N 3.13Å; D128-R132 IonicContact OD1-CZ 3.18Å; D128-R132 IonicContact OD1-NE 2.65Å; D128-R132 PolarHBondContact OD1-NE 3.43Å; D128-R132 IonicContact OD1-NH2 3.28Å; D128-R132 PolarHBondContact OD1-NH2 3.28Å; D128-R132 IonicContact OD2-CZ 2.77Å; D128-R132 IonicContact OD2-NE 3.71Å; D128-R132 PolarHBondContact OD2-NE 2.92Å; D128-R132 IonicContact OD2-NH2 3.33Å; D128-R132 PolarHBondContact OD2-NH2 3.39Å
129F98.1Very high96.4Very high0 Ų057.2 Ų57.20%030%0.3CS..Hα-helixtrans-59.8-51.9171.9162.8-106.5000111.7I82 R83 Y113 I114 A118 F123 F125 T126 D127 D131 R132 V133I82-F129 HydrophobicContact CG2-CE1 4.4Å; I82-F129 HydrophobicContact CG2-CZ 4.21Å; R83-F129 HydrophobicContact CB-CE2 4.18Å; R83-F129 HydrophobicContact CB-CZ 3.68Å; R83-F129 HydrophobicContact CG-CE2 4.14Å; R83-F129 HydrophobicContact CG-CZ 4.13Å; Y113-F129 HydrophobicContact CE1-CB 4.29Å; Y113-F129 HydrophobicContact CE1-CD2 4.25Å; I114-F129 HydrophobicContact CD1-CD2 3.92Å; I114-F129 HydrophobicContact CD1-CE2 3.84Å; A118-F129 HydrophobicContact CB-CD2 4.15Å; A118-F129 HydrophobicContact CB-CE2 4.14Å; F123-F129 HydrophobicContact CE1-CB 4.22Å; F123-F129 AromaticContact CE1-CD1 4Å; F123-F129 HydrophobicContact CE1-CD1 4Å; F123-F129 AromaticContact CE1-CD2 3.6Å; F123-F129 HydrophobicContact CE1-CD2 3.6Å; F123-F129 HydrophobicContact CE1-CE1 4.28Å; F123-F129 AromaticContact CE1-CE2 3.9Å; F123-F129 HydrophobicContact CE1-CE2 3.9Å; F123-F129 AromaticContact CE1-CG 3.65Å; F123-F129 HydrophobicContact CE1-CG 3.65Å; F123-F129 HydrophobicContact CE1-CZ 4.23Å; F123-F129 HydrophobicContact CZ-CB 3.69Å; F123-F129 HydrophobicContact CZ-CD1 4.3Å; F123-F129 AromaticContact CZ-CD2 3.37Å; F123-F129 HydrophobicContact CZ-CD2 3.37Å; F123-F129 HydrophobicContact CZ-CE2 4.06Å; F123-F129 AromaticContact CZ-CG 3.5Å; F123-F129 HydrophobicContact CZ-CG 3.5Å; F123-F129 VanDerWaalsContact CZ-CG 3.5Å; F125-F129 HydrophobicContact CD1-CD1 4.23Å; F125-F129 AromaticContact CD1-CE1 3.91Å; F125-F129 HydrophobicContact CD1-CE1 3.91Å; T126-F129 WeakPolarHBondContact O-CB 3.43Å; T126-F129 PolarHBondContact O-N 3.4Å; T126-F129 PolarHBondContact OG1-N 3.21Å; D127-F129 VanDerWaalsContact C-N 3.27Å; D127-F129 PolarHBondContact O-N 3.43Å; F129-D131 VanDerWaalsContact C-N 3.32Å; F129-D131 PolarHBondContact O-N 3.04Å; F129-R132 PolarHBondContact O-N 3.43Å; F129-V133 HydrophobicContact CD2-CG2 3.95Å; F129-V133 HydrophobicContact CE1-CG2 4.21Å; F129-V133 HydrophobicContact CE2-CG2 3.47Å; F129-V133 VanDerWaalsContact CE2-CG2 3.47Å; F129-V133 HydrophobicContact CZ-CG2 3.61Å; F129-V133 WeakPolarHBondContact O-CG2 3.46Å; F129-V133 PolarHBondContact O-N 3.49Å
130F98.4Very high96.6Very high2 Ų260.1 Ų60.11%0.00931%0.308CS..Hα-helixtrans-63.9-37.5-178-67.1-65.7000112.2R79 I82 F125 T126 D127 R132 V133 Q134 V165 R169R79-F130 HydrophobicContact CG-CE1 4.46Å; R79-F130 HydrophobicContact CG-CZ 3.94Å; I82-F130 HydrophobicContact CD1-CE1 4.43Å; F125-F130 HydrophobicContact CB-CE2 4Å; F125-F130 HydrophobicContact CB-CZ 3.92Å; T126-F130 WeakPolarHBondContact O-CD2 3.2Å; T126-F130 PolarHBondContact O-N 2.88Å; D127-F130 PolarHBondContact O-N 2.84Å; D127-F130 VanDerWaalsContact O-N 3.1Å; F130-R132 VanDerWaalsContact C-N 3.35Å; F130-R132 PolarHBondContact O-N 3.38Å; F130-V133 PolarHBondContact O-N 3.11Å; F130-Q134 WeakPolarHBondContact O-CG 3.45Å; F130-Q134 PolarHBondContact O-N 3.12Å; F130-V165 HydrophobicContact CB-CG1 3.92Å; F130-V165 HydrophobicContact CD1-CG1 3.71Å; F130-V165 HydrophobicContact CG-CG1 4.23Å; F130-R169 HydrophobicContact CB-CB 3.85Å; F130-R169 HydrophobicContact CD1-CB 3.99Å; F130-R169 HydrophobicContact CD2-CB 3.41Å; F130-R169 VanDerWaalsContact CD2-CB 3.41Å; F130-R169 HydrophobicContact CE1-CB 4.37Å; F130-R169 HydrophobicContact CE2-CB 3.86Å; F130-R169 HydrophobicContact CG-CB 3.48Å; F130-R169 VanDerWaalsContact CG-CB 3.48Å; F130-R169 HydrophobicContact CZ-CB 4.31Å
131D98.3Very high96.8Very high69 Ų6958 Ų5837%0.36929%0.294SS..Hα-helixtrans-57.6-47.8173.9-69.6-29.4000111.3D127 F129 V133 Q134 I135 R169D127-D131 VanDerWaalsContact O-CG 3.31Å; D127-D131 PolarHBondContact O-N 3.44Å; F129-D131 VanDerWaalsContact C-N 3.32Å; F129-D131 PolarHBondContact O-N 3.04Å; D131-V133 PolarHBondContact O-N 3.05Å; D131-Q134 PolarHBondContact O-N 2.81Å; D131-I135 WeakPolarHBondContact O-CG1 3.49Å; D131-I135 PolarHBondContact O-N 2.77Å; D131-R169 IonicContact OD1-CZ 2.71Å; D131-R169 VanDerWaalsContact OD1-CZ 3.28Å; D131-R169 IonicContact OD1-NH1 3.25Å; D131-R169 PolarHBondContact OD1-NH1 2.82Å; D131-R169 IonicContact OD1-NH2 3.27Å; D131-R169 PolarHBondContact OD1-NH2 3.3Å; D131-R169 IonicContact OD2-NH2 3.47Å
132R98.5Very high97.3Very high43 Ų4352.5 Ų52.516%0.16226%0.259CS..Hα-helixtrans-63.6-40.8178.3-67.4172.3-172.7-73.3-18.7112.4H110 Y113 D128 F129 F130 I135 L136H110-R132 HydrophobicContact CB-CB 4.2Å; H110-R132 HydrophobicContact CB-CG 4.33Å; H110-R132 PolarHBondContact ND1-NH1 3.18Å; Y113-R132 HydrophobicContact CD1-CG 4.46Å; D128-R132 VanDerWaalsContact CG-NE 3.29Å; D128-R132 WeakPolarHBondContact O-CD 3.4Å; D128-R132 WeakPolarHBondContact O-CG 3.37Å; D128-R132 PolarHBondContact O-N 3.44Å; D128-R132 VanDerWaalsContact O-N 3.13Å; D128-R132 IonicContact OD1-CZ 3.18Å; D128-R132 IonicContact OD1-NE 2.65Å; D128-R132 PolarHBondContact OD1-NE 3.43Å; D128-R132 IonicContact OD1-NH2 3.28Å; D128-R132 PolarHBondContact OD1-NH2 3.28Å; D128-R132 IonicContact OD2-CZ 2.77Å; D128-R132 IonicContact OD2-NE 3.71Å; D128-R132 PolarHBondContact OD2-NE 2.92Å; D128-R132 IonicContact OD2-NH2 3.33Å; D128-R132 PolarHBondContact OD2-NH2 3.39Å; F129-R132 PolarHBondContact O-N 3.43Å; F130-R132 VanDerWaalsContact C-N 3.35Å; F130-R132 PolarHBondContact O-N 3.38Å; R132-I135 PolarHBondContact O-N 2.82Å; R132-L136 WeakPolarHBondContact O-CB 3.49Å; R132-L136 WeakPolarHBondContact O-CG 3.48Å; R132-L136 PolarHBondContact O-N 3.46Å
133V98.7Very high97.7Very high0 Ų047.2 Ų47.20%023%0.229CC..Hα-helixtrans-62.1-44.3175.1175.60000110.8I82 I86 I114 F129 F130 D131 I135 L136 W137 L162 V165I82-V133 HydrophobicContact CG2-CG1 3.96Å; I86-V133 HydrophobicContact CB-CG1 4.38Å; I86-V133 HydrophobicContact CG1-CG1 4.36Å; I86-V133 HydrophobicContact CG2-CG1 4.5Å; I86-V133 HydrophobicContact CG2-CG2 3.89Å; I114-V133 HydrophobicContact CD1-CG2 3.95Å; F129-V133 HydrophobicContact CD2-CG2 3.95Å; F129-V133 HydrophobicContact CE1-CG2 4.21Å; F129-V133 HydrophobicContact CE2-CG2 3.47Å; F129-V133 VanDerWaalsContact CE2-CG2 3.47Å; F129-V133 HydrophobicContact CZ-CG2 3.61Å; F129-V133 WeakPolarHBondContact O-CG2 3.46Å; F129-V133 PolarHBondContact O-N 3.49Å; F130-V133 PolarHBondContact O-N 3.11Å; D131-V133 PolarHBondContact O-N 3.05Å; V133-I135 VanDerWaalsContact C-N 3.32Å; V133-I135 PolarHBondContact O-N 2.92Å; V133-L136 PolarHBondContact O-N 2.91Å; V133-W137 WeakPolarHBondContact O-CB 3.31Å; V133-W137 PolarHBondContact O-N 3.02Å; V133-L162 HydrophobicContact CG1-CD2 3.68Å; V133-V165 HydrophobicContact CG1-CG2 3.94Å
134Q98.5Very high97.9Very high49 Ų4948.1 Ų48.123%0.22924%0.24CC..Hα-helixtrans-64.7-36.5179-70.9-176.6-76.100112.6F130 D131 K138 V165F130-Q134 WeakPolarHBondContact O-CG 3.45Å; F130-Q134 PolarHBondContact O-N 3.12Å; D131-Q134 PolarHBondContact O-N 2.81Å; Q134-K138 WeakPolarHBondContact O-CG 3.03Å; Q134-K138 PolarHBondContact O-N 2.77Å; Q134-V165 HydrophobicContact CG-CB 3.87Å; Q134-V165 HydrophobicContact CG-CG1 3.56Å
135I98.6Very high98.1Very high68 Ų6841 Ų4135%0.34921%0.207SC..Hα-helixtrans-66.9-51175.8-67.1165.6000110.3N107 H110 D131 R132 V133 W137 K138 D139N107-I135 WeakPolarHBondContact OD1-CG2 3.42Å; H110-I135 VanDerWaalsContact CD2-CG2 3.45Å; H110-I135 WeakPolarHBondContact CD2-CG2 3.42Å; D131-I135 WeakPolarHBondContact O-CG1 3.49Å; D131-I135 PolarHBondContact O-N 2.77Å; R132-I135 PolarHBondContact O-N 2.82Å; V133-I135 VanDerWaalsContact C-N 3.32Å; V133-I135 PolarHBondContact O-N 2.92Å; I135-W137 PolarHBondContact O-N 3.29Å; I135-K138 PolarHBondContact O-N 3.26Å; I135-D139 PolarHBondContact O-N 3.41Å
136L98.7Very high98.2Very high0 Ų040.3 Ų40.30%020%0.203CC..Hα-helixtrans-63.5-42.9179.8-74.1168.8000112.1I86 V90 L102 N107 H110 M111 I114 R132 V133 K138 D139 V142I86-L136 HydrophobicContact CD1-CB 4.19Å; I86-L136 HydrophobicContact CG1-CD1 4.5Å; V90-L136 HydrophobicContact CG1-CD1 4.37Å; L102-L136 HydrophobicContact CD2-CD2 4.09Å; N107-L136 HydrophobicContact CB-CD2 4.18Å; H110-L136 HydrophobicContact CB-CD1 4Å; H110-L136 HydrophobicContact CB-CD2 4.09Å; H110-L136 HydrophobicContact CB-CG 3.82Å; M111-L136 HydrophobicContact CB-CD2 4.11Å; I114-L136 HydrophobicContact CB-CD1 4.39Å; I114-L136 HydrophobicContact CG1-CD1 3.5Å; R132-L136 WeakPolarHBondContact O-CB 3.49Å; R132-L136 WeakPolarHBondContact O-CG 3.48Å; R132-L136 PolarHBondContact O-N 3.46Å; V133-L136 PolarHBondContact O-N 2.91Å; L136-K138 PolarHBondContact O-N 3.5Å; L136-K138 VanDerWaalsContact O-N 3.16Å; L136-D139 VanDerWaalsContact O-CB 3.26Å; L136-D139 WeakPolarHBondContact O-CB 3.45Å; L136-D139 PolarHBondContact O-N 3.09Å; L136-V142 HydrophobicContact CB-CG2 4.47Å; L136-V142 HydrophobicContact CD2-CG2 4.42Å; L136-V142 WeakPolarHBondContact O-CB 3.47Å; L136-V142 WeakPolarHBondContact O-CG1 3.5Å; L136-V142 VanDerWaalsContact O-CG2 3.31Å; L136-V142 WeakPolarHBondContact O-CG2 3.33Å
137W98.7Very high98.2Very high17 Ų1740.5 Ų40.56%0.06420%0.202CC..Hα-helixtrans-62.6-24.7-179.3-173.5-125.5000112.5I89 V133 I135 V142 Q143 Y146 K159 L162 D163I89-W137 HydrophobicContact CD1-CE3 4.49Å; I89-W137 HydrophobicContact CD1-CZ3 3.86Å; V133-W137 WeakPolarHBondContact O-CB 3.31Å; V133-W137 PolarHBondContact O-N 3.02Å; I135-W137 PolarHBondContact O-N 3.29Å; W137-V142 HydrophobicContact CE3-CG1 4.18Å; W137-Q143 VanDerWaalsContact CE2-NE2 3.32Å; W137-Q143 VanDerWaalsContact CH2-NE2 3.35Å; W137-Q143 PolarHBondContact O-NE2 3.16Å; W137-Y146 AromaticContact CH2-CD1 3.98Å; W137-Y146 HydrophobicContact CH2-CD1 3.98Å; W137-Y146 AromaticContact CH2-CD2 3.71Å; W137-Y146 HydrophobicContact CH2-CD2 3.71Å; W137-Y146 HydrophobicContact CH2-CE1 4.45Å; W137-Y146 HydrophobicContact CH2-CE2 4.2Å; W137-Y146 AromaticContact CH2-CG 3.59Å; W137-Y146 HydrophobicContact CH2-CG 3.59Å; W137-Y146 HydrophobicContact CZ3-CD2 4.12Å; W137-Y146 AromaticContact CZ3-CG 3.97Å; W137-Y146 HydrophobicContact CZ3-CG 3.97Å; W137-K159 HydrophobicContact CZ2-CB 4.29Å; W137-K159 HydrophobicContact CZ2-CG 4.18Å; W137-L162 HydrophobicContact CD2-CB 3.69Å; W137-L162 HydrophobicContact CD2-CD1 4.05Å; W137-L162 HydrophobicContact CD2-CG 4.35Å; W137-L162 HydrophobicContact CE3-CB 4.26Å; W137-L162 HydrophobicContact CE3-CD1 3.72Å; W137-L162 HydrophobicContact CE3-CG 4.48Å; W137-L162 HydrophobicContact CG-CB 3.94Å; W137-L162 HydrophobicContact CH2-CD1 4.04Å; W137-L162 HydrophobicContact CZ2-CB 4.02Å; W137-L162 HydrophobicContact CZ2-CD1 4.32Å; W137-L162 HydrophobicContact CZ3-CD1 3.74Å; W137-D163 PolarHBondContact NE1-OD1 3.22Å
138K98.5Very high98.1Very high153 Ų15338.2 Ų38.267%0.66519%0.187SC*.Hα-helixtrans-85.6-12.5175.6-70.3174-178.61780114.2Q134 I135 L136 Q140Q134-K138 WeakPolarHBondContact O-CG 3.03Å; Q134-K138 PolarHBondContact O-N 2.77Å; I135-K138 PolarHBondContact O-N 3.26Å; L136-K138 PolarHBondContact O-N 3.5Å; L136-K138 VanDerWaalsContact O-N 3.16Å; K138-Q140 PolarHBondContact O-NE2 2.85Å
139D98.7Very high98.1Very high4 Ų436.6 Ų36.62%0.02118%0.18CC..  trans-68129.7178.5-172.3-74.4000110.5E103 N104 N107 I135 L136 G141 V142 Q143E103-D139 PolarHBondContact N-OD1 2.97Å; E103-D139 PolarHBondContact N-OD2 3.06Å; N104-D139 PolarHBondContact N-OD2 2.63Å; N104-D139 VanDerWaalsContact N-OD2 3.15Å; N107-D139 PolarHBondContact ND2-OD2 3.29Å; I135-D139 PolarHBondContact O-N 3.41Å; L136-D139 VanDerWaalsContact O-CB 3.26Å; L136-D139 WeakPolarHBondContact O-CB 3.45Å; L136-D139 PolarHBondContact O-N 3.09Å; D139-G141 PolarHBondContact O-N 3.06Å; D139-G141 VanDerWaalsContact OD1-CA 3.31Å; D139-G141 WeakPolarHBondContact OD1-CA 3.45Å; D139-G141 PolarHBondContact OD1-N 2.88Å; D139-V142 HydrophobicContact CB-CB 4.18Å; D139-V142 HydrophobicContact CB-CG2 3.91Å; D139-V142 PolarHBondContact O-N 3.06Å; D139-V142 VanDerWaalsContact O-N 3.13Å; D139-V142 PolarHBondContact OD1-N 3.21Å; D139-Q143 PolarHBondContact O-N 2.96Å
140Q98.4Very high98Very high110 Ų11037.5 Ų37.551%0.51419%0.186SC..Hα-helixtrans-68.4-24.8-176.5-60.7-59.4-61.700113E103 K138 Q143 A144E103-Q140 HydrophobicContact CB-CB 4.13Å; E103-Q140 HydrophobicContact CG-CB 4.33Å; E103-Q140 WeakPolarHBondContact OE2-CB 3.25Å; E103-Q140 WeakPolarHBondContact OE2-CG 3.26Å; E103-Q140 PolarHBondContact OE2-N 3.44Å; K138-Q140 PolarHBondContact O-NE2 2.85Å; Q140-Q143 PolarHBondContact O-N 2.85Å; Q140-A144 VanDerWaalsContact O-CB 3.25Å; Q140-A144 WeakPolarHBondContact O-CB 3.38Å; Q140-A144 PolarHBondContact O-N 2.94Å
141G98.5Very high97.8Very high5 Ų541.9 Ų41.95%0.05221%0.206CC..Hα-helixtrans-66.4-42.4170.900000112V100 Y101 D139 A144 C145V100-G141 WeakPolarHBondContact CG1-O 3.49Å; Y101-G141 VanDerWaalsContact O-CA 3.27Å; Y101-G141 WeakPolarHBondContact O-CA 3.5Å; D139-G141 PolarHBondContact O-N 3.06Å; D139-G141 VanDerWaalsContact OD1-CA 3.31Å; D139-G141 WeakPolarHBondContact OD1-CA 3.45Å; D139-G141 PolarHBondContact OD1-N 2.88Å; G141-A144 PolarHBondContact O-N 2.92Å; G141-C145 PolarHBondContact O-N 3.36Å
142V98.7Very high97.8Very high0 Ų039.5 Ų39.50%019%0.192CC..Hα-helixtrans-65.3-42.3174.4176.80000110.8I86 I89 M93 L102 L136 W137 D139 C145 Y146I86-V142 HydrophobicContact CD1-CG1 4.2Å; I89-V142 HydrophobicContact CG2-CG1 3.8Å; M93-V142 HydrophobicContact CE-CG2 4.36Å; M93-V142 HydrophobicContact SD-CG2 3.86Å; L102-V142 HydrophobicContact CD2-CG2 3.83Å; L136-V142 HydrophobicContact CB-CG2 4.47Å; L136-V142 HydrophobicContact CD2-CG2 4.42Å; L136-V142 WeakPolarHBondContact O-CB 3.47Å; L136-V142 WeakPolarHBondContact O-CG1 3.5Å; L136-V142 VanDerWaalsContact O-CG2 3.31Å; L136-V142 WeakPolarHBondContact O-CG2 3.33Å; W137-V142 HydrophobicContact CE3-CG1 4.18Å; D139-V142 HydrophobicContact CB-CB 4.18Å; D139-V142 HydrophobicContact CB-CG2 3.91Å; D139-V142 PolarHBondContact O-N 3.06Å; D139-V142 VanDerWaalsContact O-N 3.13Å; D139-V142 PolarHBondContact OD1-N 3.21Å; V142-C145 WeakPolarHBondContact O-CB 3.41Å; V142-C145 PolarHBondContact O-N 2.98Å; V142-Y146 PolarHBondContact O-N 3.18Å
143Q98.5Very high97.7Very high39 Ų3939.4 Ų39.418%0.18219%0.193CC..Hα-helixtrans-62.3-43.2174.6-70.6-61.4-61.400112.1W137 D139 Q140 C145 Y146 D147W137-Q143 VanDerWaalsContact CE2-NE2 3.32Å; W137-Q143 VanDerWaalsContact CH2-NE2 3.35Å; W137-Q143 PolarHBondContact O-NE2 3.16Å; D139-Q143 PolarHBondContact O-N 2.96Å; Q140-Q143 PolarHBondContact O-N 2.85Å; Q143-C145 VanDerWaalsContact C-N 3.28Å; Q143-C145 PolarHBondContact O-N 3.13Å; Q143-Y146 WeakPolarHBondContact O-CB 3.46Å; Q143-Y146 PolarHBondContact O-N 3.49Å; Q143-Y146 VanDerWaalsContact O-N 3.13Å; Q143-D147 PolarHBondContact O-N 2.91Å
144A97.8Very high97.6Very high41 Ų4139.9 Ų39.934%0.33920%0.196SC..Hα-helixtrans-62.6-34.3175.700000112.4V100 Q140 G141V100-A144 HydrophobicContact CG1-CB 4.13Å; Q140-A144 VanDerWaalsContact O-CB 3.25Å; Q140-A144 WeakPolarHBondContact O-CB 3.38Å; Q140-A144 PolarHBondContact O-N 2.94Å; G141-A144 PolarHBondContact O-N 2.92Å
145C98.4Very high97.5Very high0 Ų039.1 Ų39.10%019%0.193CC..Hα-helixtrans-70.1-40.4172.3-173.40000112.1I89 M93 L96 V100 G141 V142 Q143 D147 R148 Y152I89-C145 HydrophobicContact CG2-CB 4.16Å; I89-C145 PolarHBondContact O-SG 3.37Å; I89-C145 VanDerWaalsContact O-SG 3.35Å; M93-C145 HydrophobicContact CG-CB 3.61Å; M93-C145 VanDerWaalsContact CG-SG 3.53Å; L96-C145 HydrophobicContact CD1-CB 4.47Å; L96-C145 VanDerWaalsContact CD1-SG 3.59Å; V100-C145 HydrophobicContact CB-CB 4.37Å; V100-C145 HydrophobicContact CG1-CB 4.36Å; V100-C145 HydrophobicContact CG2-CB 4.48Å; G141-C145 PolarHBondContact O-N 3.36Å; V142-C145 WeakPolarHBondContact O-CB 3.41Å; V142-C145 PolarHBondContact O-N 2.98Å; Q143-C145 VanDerWaalsContact C-N 3.28Å; Q143-C145 PolarHBondContact O-N 3.13Å; C145-D147 VanDerWaalsContact C-N 3.29Å; C145-D147 PolarHBondContact O-N 3.48Å; C145-R148 CarbonylContact O-C 3.4Å; C145-R148 PolarHBondContact O-N 3.18Å; C145-R148 VanDerWaalsContact O-N 3.14Å; C145-Y152 VanDerWaalsContact C-OH 3.3Å; C145-Y152 WeakPolarHBondContact O-CE1 3.48Å; C145-Y152 PolarHBondContact O-OH 3.23Å
146Y98Very high97.3Very high30 Ų3038.5 Ų38.512%0.11819%0.191CC..Hα-helixtrans-60.5-38.4173.7170.3-97.2000112.3I89 W137 V142 Q143 R148 S149 Y152 L154 K159I89-Y146 HydrophobicContact CD1-CD2 4.19Å; W137-Y146 AromaticContact CH2-CD1 3.98Å; W137-Y146 HydrophobicContact CH2-CD1 3.98Å; W137-Y146 AromaticContact CH2-CD2 3.71Å; W137-Y146 HydrophobicContact CH2-CD2 3.71Å; W137-Y146 HydrophobicContact CH2-CE1 4.45Å; W137-Y146 HydrophobicContact CH2-CE2 4.2Å; W137-Y146 AromaticContact CH2-CG 3.59Å; W137-Y146 HydrophobicContact CH2-CG 3.59Å; W137-Y146 HydrophobicContact CZ3-CD2 4.12Å; W137-Y146 AromaticContact CZ3-CG 3.97Å; W137-Y146 HydrophobicContact CZ3-CG 3.97Å; V142-Y146 PolarHBondContact O-N 3.18Å; Q143-Y146 WeakPolarHBondContact O-CB 3.46Å; Q143-Y146 PolarHBondContact O-N 3.49Å; Q143-Y146 VanDerWaalsContact O-N 3.13Å; Y146-R148 PolarHBondContact O-N 3.07Å; Y146-R148 VanDerWaalsContact O-N 3.12Å; Y146-S149 WeakPolarHBondContact O-CB 3.48Å; Y146-S149 PolarHBondContact O-N 3.02Å; Y146-S149 PolarHBondContact O-OG 3.17Å; Y146-Y152 WeakPolarHBondContact CA-OH 3.43Å; Y146-L154 HydrophobicContact CD2-CD2 3.54Å; Y146-L154 HydrophobicContact CE2-CD2 3.69Å; Y146-K159 HydrophobicContact CE1-CB 4.38Å; Y146-K159 HydrophobicContact CE1-CD 3.93Å; Y146-K159 HydrophobicContact CE2-CB 3.95Å; Y146-K159 VanDerWaalsContact OH-CB 3.24Å; Y146-K159 WeakPolarHBondContact OH-CB 3.37Å
147D95.7Very high97.2Very high61 Ų6138.9 Ų38.933%0.32619%0.193SC..THydrogen-bonded Turntrans-62.4-19.2176.8-79.4-24.7000113.7Q143 C145 R288Q143-D147 PolarHBondContact O-N 2.91Å; C145-D147 VanDerWaalsContact C-N 3.29Å; C145-D147 PolarHBondContact O-N 3.48Å; D147-R288 IonicContact OD1-CZ 3.5Å; D147-R288 IonicContact OD1-NH1 3.27Å; D147-R288 PolarHBondContact OD1-NH1 2.75Å; D147-R288 IonicContact OD1-NH2 3.93Å; D147-R288 PolarHBondContact OD1-NH2 2.77Å; D147-R288 IonicContact OD2-NH1 2.73Å; D147-R288 PolarHBondContact OD2-NH1 2.93Å
148R96.1Very high97.2Very high46 Ų4638.1 Ų38.117%0.17419%0.19CC..THydrogen-bonded Turntrans-101.117.3174.5-63.7176.264.2-175.51.4112.9L96 T97 P98 C145 Y146 N150 E151 Y152L96-R148 HydrophobicContact CD1-CB 4.11Å; T97-R148 PolarHBondContact O-NH2 3.16Å; P98-R148 PolarHBondContact O-NH1 3.4Å; C145-R148 CarbonylContact O-C 3.4Å; C145-R148 PolarHBondContact O-N 3.18Å; C145-R148 VanDerWaalsContact O-N 3.14Å; Y146-R148 PolarHBondContact O-N 3.07Å; Y146-R148 VanDerWaalsContact O-N 3.12Å; R148-N150 PolarHBondContact O-N 3.29Å; R148-E151 WeakPolarHBondContact CB-OE1 3.37Å; R148-E151 IonicContact CZ-OE1 3.02Å; R148-E151 IonicContact CZ-OE2 3.44Å; R148-E151 IonicContact NE-OE1 3.44Å; R148-E151 PolarHBondContact NE-OE1 2.82Å; R148-E151 IonicContact NE-OE2 3.08Å; R148-E151 IonicContact NH2-OE1 2.87Å; R148-E151 PolarHBondContact NH2-OE1 2.91Å; R148-E151 IonicContact NH2-OE2 3.51Å; R148-E151 PolarHBondContact NH2-OE2 3.15Å; R148-E151 WeakPolarHBondContact O-CB 3.39Å; R148-E151 PolarHBondContact O-N 3.42Å; R148-Y152 WeakPolarHBondContact O-CE1 3.45Å
149S96.4Very high97.2Very high31 Ų3134.2 Ų34.222%0.21717%0.173CC..THydrogen-bonded Turntrans-61.6-9.4-176.753.40000115.3Y146 E151Y146-S149 WeakPolarHBondContact O-CB 3.48Å; Y146-S149 PolarHBondContact O-N 3.02Å; Y146-S149 PolarHBondContact O-OG 3.17Å; S149-E151 VanDerWaalsContact C-N 3.27Å
150N95Very high97.1Very high20 Ų2036.5 Ų36.511%0.10718%0.182CC..THydrogen-bonded Turntrans-73.9-17.5169.367.4-70.1000113.4R148 N237 H289R148-N150 PolarHBondContact O-N 3.29Å; N150-N237 WeakPolarHBondContact CB-ND2 3.42Å; N150-H289 PolarHBondContact OD1-CE1 2.85Å; N150-H289 PolarHBondContact OD1-NE2 2.82Å; N150-H289 VanDerWaalsContact OD1-NE2 3.13Å
151E95.8Very high97.2Very high94 Ų9431.2 Ų31.244%0.43916%0.157SC..THydrogen-bonded Turntrans-85.9-12.1-179.7-62.4177.9-126.100112.9L96 R148 S149L96-E151 HydrophobicContact CD2-CB 3.62Å; L96-E151 HydrophobicContact CD2-CG 4.32Å; L96-E151 WeakPolarHBondContact CD2-OE2 3.42Å; R148-E151 WeakPolarHBondContact CB-OE1 3.37Å; R148-E151 IonicContact CZ-OE1 3.02Å; R148-E151 IonicContact CZ-OE2 3.44Å; R148-E151 IonicContact NE-OE1 3.44Å; R148-E151 PolarHBondContact NE-OE1 2.82Å; R148-E151 IonicContact NE-OE2 3.08Å; R148-E151 IonicContact NH2-OE1 2.87Å; R148-E151 PolarHBondContact NH2-OE1 2.91Å; R148-E151 IonicContact NH2-OE2 3.51Å; R148-E151 PolarHBondContact NH2-OE2 3.15Å; R148-E151 WeakPolarHBondContact O-CB 3.39Å; R148-E151 PolarHBondContact O-N 3.42Å; S149-E151 VanDerWaalsContact C-N 3.27Å
152Y97.1Very high97.2Very high18 Ų1831.2 Ų31.27%0.07116%0.156CC..THydrogen-bonded Turntrans-139.6179.5177.657.9-90.1000111.6V88 I89 S92 L96 C145 Y146 R148 L154V88-Y152 HydrophobicContact CG1-CD2 3.62Å; V88-Y152 HydrophobicContact CG1-CE2 3.87Å; I89-Y152 HydrophobicContact CG1-CE2 4.34Å; S92-Y152 VanDerWaalsContact OG-CD2 3.25Å; S92-Y152 WeakPolarHBondContact OG-CD2 3.24Å; S92-Y152 VanDerWaalsContact OG-CG 3.27Å; L96-Y152 HydrophobicContact CD1-CE1 4.32Å; L96-Y152 HydrophobicContact CD2-CD1 4.14Å; C145-Y152 VanDerWaalsContact C-OH 3.3Å; C145-Y152 WeakPolarHBondContact O-CE1 3.48Å; C145-Y152 PolarHBondContact O-OH 3.23Å; Y146-Y152 WeakPolarHBondContact CA-OH 3.43Å; R148-Y152 WeakPolarHBondContact O-CE1 3.45Å; Y152-L154 HydrophobicContact CD2-CB 4.16Å; Y152-L154 HydrophobicContact CE2-CB 3.84Å; Y152-L154 HydrophobicContact CE2-CD2 4.3Å; Y152-L154 HydrophobicContact CE2-CG 4.45Å; Y152-L154 PolarHBondContact O-N 2.98Å
153Q96.4Very high97.2Very high41 Ų4135.5 Ų35.519%0.19218%0.179CC..THydrogen-bonded Turntrans-95.180.3-171.3-61.5-65-47.300111.6V88 V239 M241V88-Q153 WeakPolarHBondContact CG1-O 3.47Å; Q153-V239 PolarHBondContact NE2-O 2.98Å; Q153-M241 HydrophobicContact CB-CE 4.22Å; Q153-M241 HydrophobicContact CG-CG 4.44Å
154L97.4Very high97.1Very high11 Ų1134.8 Ų34.86%0.05818%0.175CC..  trans-101.8139174.3-168.763.1000111.8V88 I89 Y146 Y152 A158V88-L154 HydrophobicContact CB-CD1 4.31Å; V88-L154 HydrophobicContact CG1-CD1 4.09Å; I89-L154 HydrophobicContact CD1-CD1 4.18Å; I89-L154 HydrophobicContact CD1-CD2 4.03Å; I89-L154 HydrophobicContact CG1-CD1 3.86Å; I89-L154 HydrophobicContact CG1-CD2 3.93Å; Y146-L154 HydrophobicContact CD2-CD2 3.54Å; Y146-L154 HydrophobicContact CE2-CD2 3.69Å; Y152-L154 HydrophobicContact CD2-CB 4.16Å; Y152-L154 HydrophobicContact CE2-CB 3.84Å; Y152-L154 HydrophobicContact CE2-CD2 4.3Å; Y152-L154 HydrophobicContact CE2-CG 4.45Å; Y152-L154 PolarHBondContact O-N 2.98Å; L154-A158 HydrophobicContact CD1-CB 3.76Å; L154-A158 HydrophobicContact CD2-CB 3.83Å; L154-A158 HydrophobicContact CG-CB 3.71Å
155I96.2Very high97.1Very high33 Ų3333 Ų3317%0.16916%0.16CC..  trans-74.1142.2176.261.1-179.1000111.2N81 S85 C157 A158 R184N81-I155 HydrophobicContact CB-CD1 3.99Å; S85-I155 WeakPolarHBondContact OG-CD1 3.42Å; S85-I155 WeakPolarHBondContact OG-CG1 3.27Å; I155-C157 VanDerWaalsContact CD1-SG 3.52Å; I155-C157 PolarHBondContact O-N 3.09Å; I155-C157 VanDerWaalsContact O-N 3.08Å; I155-A158 HydrophobicContact CG1-CB 4.3Å; I155-A158 WeakPolarHBondContact O-CB 3.23Å; I155-A158 PolarHBondContact O-N 3.45Å; I155-R184 HydrophobicContact CD1-CB 4.41Å; I155-R184 HydrophobicContact CG2-CG 4.18Å
156D94.6Very high97.1Very high55 Ų5535.3 Ų35.329%0.29418%0.179SC..THydrogen-bonded Turntrans-61.5-26.2-174.4-51.4-67.9000113.9A158 K276 L279D156-A158 VanDerWaalsContact C-N 3.26Å; D156-A158 PolarHBondContact O-N 2.95Å; D156-K276 IonicContact OD1-NZ 3.13Å; D156-K276 IonicContact OD2-NZ 2.77Å; D156-K276 PolarHBondContact OD2-NZ 3Å; D156-L279 HydrophobicContact CB-CD1 3.84Å
157C96.7Very high97.1Very high7 Ų739 Ų395%0.04720%0.197CC..THydrogen-bonded Turntrans-81.2-2.4-179.768.10000114I155 K159 Y160 F161 R182I155-C157 VanDerWaalsContact CD1-SG 3.52Å; I155-C157 PolarHBondContact O-N 3.09Å; I155-C157 VanDerWaalsContact O-N 3.08Å; C157-K159 PolarHBondContact O-N 3.34Å; C157-Y160 WeakPolarHBondContact O-CB 3.17Å; C157-Y160 PolarHBondContact O-N 3.44Å; C157-F161 HydrophobicContact CB-CD2 3.81Å; C157-F161 HydrophobicContact CB-CE2 3.72Å; C157-F161 WeakPolarHBondContact O-CD2 3.3Å; C157-F161 PolarHBondContact O-N 2.96Å; C157-F161 VanDerWaalsContact O-N 3.08Å; C157-R182 HydrophobicContact CB-CB 4.24Å; C157-R182 WeakPolarHBondContact CB-O 3.44Å; C157-R182 PolarHBondContact SG-O 3.08Å
158A98.3Very high97.2Very high1 Ų136 Ų361%0.00818%0.182CC..Hα-helixtrans-51.2-59.3-176.200000112S85 L154 I155 D156 Y160 F161 L162S85-A158 WeakPolarHBondContact OG-CA 3.18Å; S85-A158 WeakPolarHBondContact OG-CB 3.32Å; L154-A158 HydrophobicContact CD1-CB 3.76Å; L154-A158 HydrophobicContact CD2-CB 3.83Å; L154-A158 HydrophobicContact CG-CB 3.71Å; I155-A158 HydrophobicContact CG1-CB 4.3Å; I155-A158 WeakPolarHBondContact O-CB 3.23Å; I155-A158 PolarHBondContact O-N 3.45Å; D156-A158 VanDerWaalsContact C-N 3.26Å; D156-A158 PolarHBondContact O-N 2.95Å; A158-Y160 VanDerWaalsContact C-N 3.33Å; A158-Y160 PolarHBondContact O-N 3.27Å; A158-F161 PolarHBondContact O-N 3.04Å; A158-L162 HydrophobicContact CB-CD1 4.33Å; A158-L162 VanDerWaalsContact O-CB 3.29Å; A158-L162 WeakPolarHBondContact O-CB 3.37Å; A158-L162 WeakPolarHBondContact O-CD1 3.47Å; A158-L162 WeakPolarHBondContact O-CG 3.39Å; A158-L162 PolarHBondContact O-N 3.37Å
159K97.9Very high97.3Very high71 Ų7135.6 Ų35.631%0.30918%0.18SC..Hα-helixtrans-58.4-44.2179.4172.8163.9-178.453.20112.6W137 Y146 C157 F161 L162 D163W137-K159 HydrophobicContact CZ2-CB 4.29Å; W137-K159 HydrophobicContact CZ2-CG 4.18Å; Y146-K159 HydrophobicContact CE1-CB 4.38Å; Y146-K159 HydrophobicContact CE1-CD 3.93Å; Y146-K159 HydrophobicContact CE2-CB 3.95Å; Y146-K159 VanDerWaalsContact OH-CB 3.24Å; Y146-K159 WeakPolarHBondContact OH-CB 3.37Å; C157-K159 PolarHBondContact O-N 3.34Å; K159-F161 VanDerWaalsContact C-N 3.32Å; K159-F161 PolarHBondContact O-N 3.11Å; K159-L162 PolarHBondContact O-N 2.96Å; K159-D163 WeakPolarHBondContact CE-OD2 3.39Å; K159-D163 VanDerWaalsContact CG-OD2 3.27Å; K159-D163 WeakPolarHBondContact CG-OD2 3.36Å; K159-D163 IonicContact NZ-OD1 2.73Å; K159-D163 PolarHBondContact NZ-OD1 3.19Å; K159-D163 IonicContact NZ-OD2 3.18Å; K159-D163 PolarHBondContact NZ-OD2 3.06Å; K159-D163 WeakPolarHBondContact O-CB 3.19Å; K159-D163 PolarHBondContact O-N 3.09Å
160Y98.2Very high97.3Very high52 Ų5238.8 Ų38.820%0.20419%0.192CC..Hα-helixtrans-55.8-46.4-179.6176.5-99000112.1C157 A158 K164 Q178 D179 R182C157-Y160 WeakPolarHBondContact O-CB 3.17Å; C157-Y160 PolarHBondContact O-N 3.44Å; A158-Y160 VanDerWaalsContact C-N 3.33Å; A158-Y160 PolarHBondContact O-N 3.27Å; Y160-K164 HydrophobicContact CD1-CD 4.39Å; Y160-K164 HydrophobicContact CE1-CD 3.9Å; Y160-K164 VanDerWaalsContact O-CG 3.32Å; Y160-K164 WeakPolarHBondContact O-CG 2.96Å; Y160-Q178 HydrophobicContact CE2-CG 4.18Å; Y160-Q178 WeakPolarHBondContact OH-CG 3.36Å; Y160-D179 VanDerWaalsContact CE1-OD1 3.3Å; Y160-D179 WeakPolarHBondContact CE1-OD1 3.27Å; Y160-D179 PolarHBondContact OH-OD1 3.27Å; Y160-D179 VanDerWaalsContact OH-OD1 3.09Å; Y160-R182 HydrophobicContact CD1-CB 3.99Å; Y160-R182 VanDerWaalsContact CD1-CD 3.48Å; Y160-R182 HydrophobicContact CD1-CG 4.35Å; Y160-R182 VanDerWaalsContact CD2-CD 3.47Å; Y160-R182 HydrophobicContact CE1-CB 4.19Å; Y160-R182 HydrophobicContact CE1-CG 4.49Å
161F98.7Very high97.2Very high0 Ų044.6 Ų44.60%023%0.228CC..Hα-helixtrans-81-33.7-179.8-69.3-59.7000113.6I78 N81 I82 C157 A158 K159 D163 K164 V165 D179 R182 C183I78-F161 HydrophobicContact CB-CE1 4.41Å; I78-F161 HydrophobicContact CD1-CE1 4.47Å; I78-F161 HydrophobicContact CG1-CE1 4.1Å; I78-F161 HydrophobicContact CG1-CZ 4.04Å; I78-F161 HydrophobicContact CG2-CD1 3.59Å; I78-F161 HydrophobicContact CG2-CE1 3.51Å; I78-F161 HydrophobicContact CG2-CG 4.26Å; I78-F161 HydrophobicContact CG2-CZ 4.12Å; N81-F161 HydrophobicContact CB-CD2 4.21Å; I82-F161 HydrophobicContact CD1-CB 4.29Å; I82-F161 HydrophobicContact CG1-CB 3.64Å; C157-F161 HydrophobicContact CB-CD2 3.81Å; C157-F161 HydrophobicContact CB-CE2 3.72Å; C157-F161 WeakPolarHBondContact O-CD2 3.3Å; C157-F161 PolarHBondContact O-N 2.96Å; C157-F161 VanDerWaalsContact O-N 3.08Å; A158-F161 PolarHBondContact O-N 3.04Å; K159-F161 VanDerWaalsContact C-N 3.32Å; K159-F161 PolarHBondContact O-N 3.11Å; F161-D163 VanDerWaalsContact C-N 3.34Å; F161-K164 HydrophobicContact CD1-CD 4.24Å; F161-K164 HydrophobicContact CD1-CG 4.5Å; F161-K164 CarbonylContact O-C 3.58Å; F161-K164 PolarHBondContact O-N 2.87Å; F161-V165 PolarHBondContact O-N 3.34Å; F161-D179 HydrophobicContact CE1-CB 4.18Å; F161-R182 HydrophobicContact CE2-CB 4.3Å; F161-R182 HydrophobicContact CZ-CB 4.2Å; F161-C183 HydrophobicContact CZ-CB 4.18Å
162L98.7Very high97.2Very high4 Ų446.3 Ų46.32%0.02124%0.24CC..Hα-helixtrans-66.1-36176.4-70.6167.6000112.1I82 I86 I89 V133 W137 A158 K159 K164 V165I82-L162 HydrophobicContact CG2-CD2 4.14Å; I86-L162 HydrophobicContact CB-CD2 4.05Å; I89-L162 HydrophobicContact CD1-CD1 3.76Å; V133-L162 HydrophobicContact CG1-CD2 3.68Å; W137-L162 HydrophobicContact CD2-CB 3.69Å; W137-L162 HydrophobicContact CD2-CD1 4.05Å; W137-L162 HydrophobicContact CD2-CG 4.35Å; W137-L162 HydrophobicContact CE3-CB 4.26Å; W137-L162 HydrophobicContact CE3-CD1 3.72Å; W137-L162 HydrophobicContact CE3-CG 4.48Å; W137-L162 HydrophobicContact CG-CB 3.94Å; W137-L162 HydrophobicContact CH2-CD1 4.04Å; W137-L162 HydrophobicContact CZ2-CB 4.02Å; W137-L162 HydrophobicContact CZ2-CD1 4.32Å; W137-L162 HydrophobicContact CZ3-CD1 3.74Å; A158-L162 HydrophobicContact CB-CD1 4.33Å; A158-L162 VanDerWaalsContact O-CB 3.29Å; A158-L162 WeakPolarHBondContact O-CB 3.37Å; A158-L162 WeakPolarHBondContact O-CD1 3.47Å; A158-L162 WeakPolarHBondContact O-CG 3.39Å; A158-L162 PolarHBondContact O-N 3.37Å; K159-L162 PolarHBondContact O-N 2.96Å; L162-K164 VanDerWaalsContact C-N 3.26Å; L162-K164 PolarHBondContact O-N 3.32Å; L162-V165 VanDerWaalsContact O-CG2 3.26Å; L162-V165 WeakPolarHBondContact O-CG2 3.4Å
163D98.4Very high97.2Very high91 Ų9146.4 Ų46.449%0.48724%0.24SC..Hα-helixtrans-67-26.6175.5-72.6-16.3000112.6W137 K159 F161W137-D163 PolarHBondContact NE1-OD1 3.22Å; K159-D163 WeakPolarHBondContact CE-OD2 3.39Å; K159-D163 VanDerWaalsContact CG-OD2 3.27Å; K159-D163 WeakPolarHBondContact CG-OD2 3.36Å; K159-D163 IonicContact NZ-OD1 2.73Å; K159-D163 PolarHBondContact NZ-OD1 3.19Å; K159-D163 IonicContact NZ-OD2 3.18Å; K159-D163 PolarHBondContact NZ-OD2 3.06Å; K159-D163 WeakPolarHBondContact O-CB 3.19Å; K159-D163 PolarHBondContact O-N 3.09Å; F161-D163 VanDerWaalsContact C-N 3.34Å
164K97.5Very high97.2Very high24 Ų2447.3 Ų47.310%0.10425%0.249CC..THydrogen-bonded Turntrans-111.422-175.473.2177.9-71.4166.30115Y160 F161 L162 A166 E167 V168 D179Y160-K164 HydrophobicContact CD1-CD 4.39Å; Y160-K164 HydrophobicContact CE1-CD 3.9Å; Y160-K164 VanDerWaalsContact O-CG 3.32Å; Y160-K164 WeakPolarHBondContact O-CG 2.96Å; F161-K164 HydrophobicContact CD1-CD 4.24Å; F161-K164 HydrophobicContact CD1-CG 4.5Å; F161-K164 CarbonylContact O-C 3.58Å; F161-K164 PolarHBondContact O-N 2.87Å; L162-K164 VanDerWaalsContact C-N 3.26Å; L162-K164 PolarHBondContact O-N 3.32Å; K164-A166 PolarHBondContact O-N 3.28Å; K164-E167 WeakPolarHBondContact CE-OE2 3.42Å; K164-E167 IonicContact NZ-OE2 3.49Å; K164-E167 PolarHBondContact NZ-OE2 3.46Å; K164-E167 VanDerWaalsContact NZ-OE2 3.08Å; K164-E167 PolarHBondContact O-N 2.81Å; K164-V168 HydrophobicContact CD-CG2 4.42Å; K164-V168 HydrophobicContact CG-CG2 4.08Å; K164-V168 PolarHBondContact O-N 3.43Å; K164-D179 WeakPolarHBondContact CE-OD1 3.5Å; K164-D179 IonicContact NZ-OD1 3.18Å; K164-D179 PolarHBondContact NZ-OD1 3.38Å; K164-D179 IonicContact NZ-OD2 2.84Å; K164-D179 PolarHBondContact NZ-OD2 3.34Å
165V98.3Very high97.2Very high2 Ų246.8 Ų46.81%0.01225%0.246CC..Hα-helixtrans-50.9-35.8179.5170.30000112.6I82 F130 V133 Q134 F161 L162 E167 V168 R169I82-V165 HydrophobicContact CD1-CG2 4.16Å; I82-V165 HydrophobicContact CG2-CG2 4.11Å; F130-V165 HydrophobicContact CB-CG1 3.92Å; F130-V165 HydrophobicContact CD1-CG1 3.71Å; F130-V165 HydrophobicContact CG-CG1 4.23Å; V133-V165 HydrophobicContact CG1-CG2 3.94Å; Q134-V165 HydrophobicContact CG-CB 3.87Å; Q134-V165 HydrophobicContact CG-CG1 3.56Å; F161-V165 PolarHBondContact O-N 3.34Å; L162-V165 VanDerWaalsContact O-CG2 3.26Å; L162-V165 WeakPolarHBondContact O-CG2 3.4Å; V165-E167 PolarHBondContact O-N 3.32Å; V165-V168 PolarHBondContact O-N 3.37Å; V165-R169 WeakPolarHBondContact O-CB 3.41Å; V165-R169 WeakPolarHBondContact O-CG 3.37Å; V165-R169 PolarHBondContact O-N 2.73Å
166A97.7Very high97.2Very high50 Ų5047.5 Ų47.541%0.41325%0.253SS..Hα-helixtrans-60.7-30.6179.100000114K164 R169 Q170K164-A166 PolarHBondContact O-N 3.28Å; A166-R169 WeakPolarHBondContact O-CG 3.32Å; A166-Q170 PolarHBondContact O-NE2 3.17Å; A166-Q170 VanDerWaalsContact O-NE2 3.11Å
167E97.8Very high97.3Very high106 Ų10648.3 Ų48.350%0.49526%0.256SS..Hα-helixtrans-81.2-46.7174.4-65.4171.4-140.800110.8K164 V165 R169 Q170 Y173K164-E167 WeakPolarHBondContact CE-OE2 3.42Å; K164-E167 IonicContact NZ-OE2 3.49Å; K164-E167 PolarHBondContact NZ-OE2 3.46Å; K164-E167 VanDerWaalsContact NZ-OE2 3.08Å; K164-E167 PolarHBondContact O-N 2.81Å; V165-E167 PolarHBondContact O-N 3.32Å; E167-R169 VanDerWaalsContact C-N 3.28Å; E167-R169 PolarHBondContact O-N 3.06Å; E167-Q170 WeakPolarHBondContact O-CB 3.48Å; E167-Q170 WeakPolarHBondContact O-CG 3.46Å; E167-Q170 PolarHBondContact O-N 2.77Å; E167-Y173 WeakPolarHBondContact O-CD2 3.44Å
168V97.9Very high97.4Very high0 Ų050.8 Ų50.80%027%0.267CS..Hα-helixtrans-67.9-27.5-173.21770000113I78 R79 I82 K164 V165 Q170 Y173I78-V168 HydrophobicContact CG2-CG1 3.84Å; I78-V168 HydrophobicContact CG2-CG2 4.1Å; R79-V168 HydrophobicContact CG-CG1 3.78Å; R79-V168 PolarHBondContact NE-O 2.91Å; R79-V168 PolarHBondContact NH2-O 2.84Å; I82-V168 HydrophobicContact CD1-CB 3.79Å; I82-V168 HydrophobicContact CD1-CG1 3.53Å; I82-V168 HydrophobicContact CD1-CG2 4.1Å; K164-V168 HydrophobicContact CD-CG2 4.42Å; K164-V168 HydrophobicContact CG-CG2 4.08Å; K164-V168 PolarHBondContact O-N 3.43Å; V165-V168 PolarHBondContact O-N 3.37Å; V168-Q170 VanDerWaalsContact C-N 3.27Å; V168-Q170 PolarHBondContact O-N 3.27Å; V168-Y173 HydrophobicContact CB-CD1 4.42Å; V168-Y173 HydrophobicContact CB-CE1 4.27Å; V168-Y173 HydrophobicContact CG1-CD1 4.21Å; V168-Y173 HydrophobicContact CG1-CE1 4.07Å; V168-Y173 HydrophobicContact CG2-CE1 3.97Å; V168-Y173 HydrophobicContact CG2-CE2 4.24Å
169R97.2Very high97.4Very high37 Ų3750.9 Ų50.914%0.1427%0.267CS..THydrogen-bonded Turntrans-69.3-22.7177.771.8-177.6-65.1170.8-1.1113.6D127 F130 D131 V165 A166 E167D127-R169 PolarHBondContact O-NH2 2.69Å; D127-R169 IonicContact OD1-CZ 3.4Å; D127-R169 IonicContact OD1-NE 2.79Å; D127-R169 PolarHBondContact OD1-NE 3.22Å; D127-R169 IonicContact OD1-NH2 3.35Å; D127-R169 PolarHBondContact OD1-NH2 2.88Å; F130-R169 HydrophobicContact CB-CB 3.85Å; F130-R169 HydrophobicContact CD1-CB 3.99Å; F130-R169 HydrophobicContact CD2-CB 3.41Å; F130-R169 VanDerWaalsContact CD2-CB 3.41Å; F130-R169 HydrophobicContact CE1-CB 4.37Å; F130-R169 HydrophobicContact CE2-CB 3.86Å; F130-R169 HydrophobicContact CG-CB 3.48Å; F130-R169 VanDerWaalsContact CG-CB 3.48Å; F130-R169 HydrophobicContact CZ-CB 4.31Å; D131-R169 IonicContact OD1-CZ 2.71Å; D131-R169 VanDerWaalsContact OD1-CZ 3.28Å; D131-R169 IonicContact OD1-NH1 3.25Å; D131-R169 PolarHBondContact OD1-NH1 2.82Å; D131-R169 IonicContact OD1-NH2 3.27Å; D131-R169 PolarHBondContact OD1-NH2 3.3Å; D131-R169 IonicContact OD2-NH2 3.47Å; V165-R169 WeakPolarHBondContact O-CB 3.41Å; V165-R169 WeakPolarHBondContact O-CG 3.37Å; V165-R169 PolarHBondContact O-N 2.73Å; A166-R169 WeakPolarHBondContact O-CG 3.32Å; E167-R169 VanDerWaalsContact C-N 3.28Å; E167-R169 PolarHBondContact O-N 3.06Å
170Q97.2Very high97.4Very high97 Ų9747.6 Ų47.645%0.45325%0.253SS..SBendtrans-60.3141.8-177.5-57.8-57.5-4000110.8R79 A166 E167 V168 D172 Y173R79-Q170 PolarHBondContact NH2-O 2.86Å; A166-Q170 PolarHBondContact O-NE2 3.17Å; A166-Q170 VanDerWaalsContact O-NE2 3.11Å; E167-Q170 WeakPolarHBondContact O-CB 3.48Å; E167-Q170 WeakPolarHBondContact O-CG 3.46Å; E167-Q170 PolarHBondContact O-N 2.77Å; V168-Q170 VanDerWaalsContact C-N 3.27Å; V168-Q170 PolarHBondContact O-N 3.27Å; Q170-D172 VanDerWaalsContact C-N 3.27Å; Q170-D172 WeakPolarHBondContact CB-OD1 3.19Å; Q170-D172 PolarHBondContact O-N 2.86Å; Q170-Y173 WeakPolarHBondContact O-CB 3.45Å; Q170-Y173 PolarHBondContact O-N 2.84Å
171V93.9Very high97.3Very high143 Ų14345.2 Ų45.287%0.86724%0.244SC*.THydrogen-bonded Turntrans-66.5-34.2-178177.80000111.2
172D94.8Very high97.3Very high129 Ų12948.3 Ų48.369%0.6926%0.255SS*.THydrogen-bonded Turntrans-93.911.4178.365.4-27.9000113.5Q170 T174Q170-D172 VanDerWaalsContact C-N 3.27Å; Q170-D172 WeakPolarHBondContact CB-OD1 3.19Å; Q170-D172 PolarHBondContact O-N 2.86Å; D172-T174 PolarHBondContact O-N 2.78Å; D172-T174 VanDerWaalsContact O-N 3.11Å; D172-T174 PolarHBondContact O-OG1 3.01Å
173Y97.1Very high97.3Very high21 Ų2148.3 Ų48.38%0.08226%0.256CS..  trans-53.3119.7176.5173.1-116.4000111.3V75 I78 E167 V168 Q170 P175 D179V75-Y173 HydrophobicContact CG1-CD1 4.23Å; V75-Y173 HydrophobicContact CG2-CD1 4.1Å; V75-Y173 WeakPolarHBondContact CG2-O 3.46Å; I78-Y173 HydrophobicContact CD1-CE1 4.23Å; I78-Y173 HydrophobicContact CG2-CE1 4.35Å; E167-Y173 WeakPolarHBondContact O-CD2 3.44Å; V168-Y173 HydrophobicContact CB-CD1 4.42Å; V168-Y173 HydrophobicContact CB-CE1 4.27Å; V168-Y173 HydrophobicContact CG1-CD1 4.21Å; V168-Y173 HydrophobicContact CG1-CE1 4.07Å; V168-Y173 HydrophobicContact CG2-CE1 3.97Å; V168-Y173 HydrophobicContact CG2-CE2 4.24Å; Q170-Y173 WeakPolarHBondContact O-CB 3.45Å; Q170-Y173 PolarHBondContact O-N 2.84Å; Y173-P175 HydrophobicContact CD1-CG 4.4Å; Y173-P175 HydrophobicContact CE1-CG 3.8Å; Y173-D179 WeakPolarHBondContact OH-CB 3.37Å; Y173-D179 PolarHBondContact OH-OD1 3.05Å; Y173-D179 PolarHBondContact OH-OD2 3.28Å
174T95.9Very high97.2Very high60 Ų6046.8 Ų46.837%0.36824%0.243SC..  trans-112.5114.9175.7-61.10000109.1E68 R71 D172 S176E68-T174 WeakPolarHBondContact OE2-CG2 3.48Å; R71-T174 HydrophobicContact CB-CG2 4.24Å; D172-T174 PolarHBondContact O-N 2.78Å; D172-T174 VanDerWaalsContact O-N 3.11Å; D172-T174 PolarHBondContact O-OG1 3.01Å; T174-S176 PolarHBondContact O-N 2.68Å
175P98Very high97.1Very high0 Ų048.5 Ų48.50%026%0.255CS..  trans-57.8129.3-179.1-30.338.9000112.8R71 V75 I78 Y173 D179 I180R71-P175 WeakPolarHBondContact O-CD 3.36Å; R71-P175 VanDerWaalsContact O-CG 3.27Å; R71-P175 WeakPolarHBondContact O-CG 3.34Å; V75-P175 HydrophobicContact CG2-CG 3.69Å; I78-P175 HydrophobicContact CD1-CB 3.65Å; I78-P175 HydrophobicContact CD1-CG 3.52Å; Y173-P175 HydrophobicContact CD1-CG 4.4Å; Y173-P175 HydrophobicContact CE1-CG 3.8Å; P175-D179 HydrophobicContact CB-CB 3.91Å; P175-I180 HydrophobicContact CB-CG1 4.22Å
176S97.1Very high96.9Very high47 Ų4753.8 Ų53.833%0.32928%0.281SS..  trans-68.7168.3169.466.70000111.2T174 Q178 D179 I180T174-S176 PolarHBondContact O-N 2.68Å; S176-Q178 PolarHBondContact O-N 2.74Å; S176-Q178 PolarHBondContact OG-N 2.99Å; S176-D179 WeakPolarHBondContact CB-OD2 3.48Å; S176-D179 PolarHBondContact N-OD2 3.43Å; S176-D179 WeakPolarHBondContact O-CB 3.41Å; S176-D179 PolarHBondContact O-N 2.94Å; S176-D179 VanDerWaalsContact O-N 3.16Å; S176-D179 PolarHBondContact OG-N 3.4Å; S176-D179 VanDerWaalsContact OG-N 3.1Å; S176-D179 PolarHBondContact OG-OD2 3.05Å; S176-I180 WeakPolarHBondContact O-CG1 3.44Å; S176-I180 PolarHBondContact O-N 2.93Å
177E96.7Very high96.7Very high73 Ų7352.2 Ų52.234%0.34127%0.267SS..Hα-helixtrans-58.6-35.8171.4-63.4-172150.100111.6I60 R71 I180 L181I60-E177 HydrophobicContact CD1-CB 4.18Å; R71-E177 IonicContact NH2-OE1 2.69Å; E177-I180 PolarHBondContact O-N 2.93Å; E177-L181 WeakPolarHBondContact O-CB 3.41Å; E177-L181 VanDerWaalsContact O-CG 3.28Å; E177-L181 WeakPolarHBondContact O-CG 3.38Å; E177-L181 PolarHBondContact O-N 3.31Å
178Q97.4Very high96.5Very high59 Ų5951 Ų5128%0.27627%0.266SS..Hα-helixtrans-68.7-36.8177.5-168.963.4-8.100112.4Y160 S176 I180 L181 R182 V350Y160-Q178 HydrophobicContact CE2-CG 4.18Å; Y160-Q178 WeakPolarHBondContact OH-CG 3.36Å; S176-Q178 PolarHBondContact O-N 2.74Å; S176-Q178 PolarHBondContact OG-N 2.99Å; Q178-I180 VanDerWaalsContact C-N 3.34Å; Q178-L181 PolarHBondContact O-N 3.39Å; Q178-R182 VanDerWaalsContact NE2-NE 3.18Å; Q178-R182 WeakPolarHBondContact O-CB 3.42Å; Q178-R182 WeakPolarHBondContact O-CG 3.41Å; Q178-R182 PolarHBondContact O-N 2.85Å; Q178-V350 PolarHBondContact OE1-O 3.07Å
179D98.1Very high96.3Very high2 Ų251.8 Ų51.81%0.01128%0.275CS..Hα-helixtrans-62.5-43.8172-62.9-48.6000110.7I78 Y160 F161 K164 Y173 P175 S176 R182 C183I78-D179 HydrophobicContact CD1-CB 4Å; Y160-D179 VanDerWaalsContact CE1-OD1 3.3Å; Y160-D179 WeakPolarHBondContact CE1-OD1 3.27Å; Y160-D179 PolarHBondContact OH-OD1 3.27Å; Y160-D179 VanDerWaalsContact OH-OD1 3.09Å; F161-D179 HydrophobicContact CE1-CB 4.18Å; K164-D179 WeakPolarHBondContact CE-OD1 3.5Å; K164-D179 IonicContact NZ-OD1 3.18Å; K164-D179 PolarHBondContact NZ-OD1 3.38Å; K164-D179 IonicContact NZ-OD2 2.84Å; K164-D179 PolarHBondContact NZ-OD2 3.34Å; Y173-D179 WeakPolarHBondContact OH-CB 3.37Å; Y173-D179 PolarHBondContact OH-OD1 3.05Å; Y173-D179 PolarHBondContact OH-OD2 3.28Å; P175-D179 HydrophobicContact CB-CB 3.91Å; S176-D179 WeakPolarHBondContact CB-OD2 3.48Å; S176-D179 PolarHBondContact N-OD2 3.43Å; S176-D179 WeakPolarHBondContact O-CB 3.41Å; S176-D179 PolarHBondContact O-N 2.94Å; S176-D179 VanDerWaalsContact O-N 3.16Å; S176-D179 PolarHBondContact OG-N 3.4Å; S176-D179 VanDerWaalsContact OG-N 3.1Å; S176-D179 PolarHBondContact OG-OD2 3.05Å; D179-R182 PolarHBondContact O-N 3.29Å; D179-C183 WeakPolarHBondContact O-CB 3.35Å; D179-C183 PolarHBondContact O-N 3.43Å
180I97.9Very high96.2Very high3 Ų352.4 Ų52.42%0.01528%0.28CS..Hα-helixtrans-64.5-42.8177.7-67.2165.2000111.2K56 F66 R71 P175 S176 E177 Q178K56-I180 HydrophobicContact CD-CG2 4.17Å; K56-I180 WeakPolarHBondContact CD-O 3.44Å; K56-I180 WeakPolarHBondContact CE-O 3.27Å; K56-I180 PolarHBondContact NZ-O 2.85Å; F66-I180 HydrophobicContact CB-CD1 3.79Å; F66-I180 HydrophobicContact CD1-CD1 4.46Å; F66-I180 HydrophobicContact CD1-CG2 4.26Å; F66-I180 HydrophobicContact CD2-CB 4.46Å; F66-I180 HydrophobicContact CD2-CD1 3.71Å; F66-I180 HydrophobicContact CD2-CG2 3.97Å; F66-I180 HydrophobicContact CE1-CG2 3.93Å; F66-I180 HydrophobicContact CE2-CB 4.36Å; F66-I180 HydrophobicContact CE2-CD1 4.42Å; F66-I180 HydrophobicContact CE2-CG2 3.6Å; F66-I180 HydrophobicContact CG-CD1 3.73Å; F66-I180 HydrophobicContact CG-CG2 4.28Å; F66-I180 HydrophobicContact CZ-CG2 3.6Å; R71-I180 HydrophobicContact CB-CD1 4.49Å; R71-I180 HydrophobicContact CG-CD1 3.56Å; P175-I180 HydrophobicContact CB-CG1 4.22Å; S176-I180 WeakPolarHBondContact O-CG1 3.44Å; S176-I180 PolarHBondContact O-N 2.93Å; E177-I180 PolarHBondContact O-N 2.93Å; Q178-I180 VanDerWaalsContact C-N 3.34Å
181L97.7Very high96.2Very high2 Ų253 Ų531%0.0128%0.281CS..Hα-helixtrans-62.8-41.7178.7-74.6169.9000112T53 K56 Q57 I60 E177 Q178 V350T53-L181 HydrophobicContact CG2-CB 4.33Å; T53-L181 HydrophobicContact CG2-CD2 3.83Å; K56-L181 HydrophobicContact CB-CD2 3.81Å; Q57-L181 HydrophobicContact CG-CD2 3.74Å; I60-L181 HydrophobicContact CD1-CD1 3.89Å; I60-L181 HydrophobicContact CD1-CD2 3.93Å; I60-L181 HydrophobicContact CD1-CG 3.91Å; E177-L181 WeakPolarHBondContact O-CB 3.41Å; E177-L181 VanDerWaalsContact O-CG 3.28Å; E177-L181 WeakPolarHBondContact O-CG 3.38Å; E177-L181 PolarHBondContact O-N 3.31Å; Q178-L181 PolarHBondContact O-N 3.39Å; L181-V350 HydrophobicContact CB-CG1 4.5Å
182R97.8Very high96.3Very high65 Ų6551.5 Ų51.525%0.24527%0.265CS..Hα-helixtrans-83.3-23.7-178.8-70.5-173171.6-120.4-5.1114.1C157 Y160 F161 Q178 D179 R184 D278 V350C157-R182 HydrophobicContact CB-CB 4.24Å; C157-R182 WeakPolarHBondContact CB-O 3.44Å; C157-R182 PolarHBondContact SG-O 3.08Å; Y160-R182 HydrophobicContact CD1-CB 3.99Å; Y160-R182 VanDerWaalsContact CD1-CD 3.48Å; Y160-R182 HydrophobicContact CD1-CG 4.35Å; Y160-R182 VanDerWaalsContact CD2-CD 3.47Å; Y160-R182 HydrophobicContact CE1-CB 4.19Å; Y160-R182 HydrophobicContact CE1-CG 4.49Å; F161-R182 HydrophobicContact CE2-CB 4.3Å; F161-R182 HydrophobicContact CZ-CB 4.2Å; Q178-R182 VanDerWaalsContact NE2-NE 3.18Å; Q178-R182 WeakPolarHBondContact O-CB 3.42Å; Q178-R182 WeakPolarHBondContact O-CG 3.41Å; Q178-R182 PolarHBondContact O-N 2.85Å; D179-R182 PolarHBondContact O-N 3.29Å; R182-R184 PolarHBondContact O-N 3.13Å; R182-D278 IonicContact NH2-OD2 3.69Å; R182-V350 HydrophobicContact CG-CG1 3.96Å
183C97.9Very high96.3Very high4 Ų446.4 Ų46.43%0.02724%0.239CC..  trans-58123.3177.71770000111.3K56 I78 N81 F161 D179K56-C183 PolarHBondContact NZ-O 2.92Å; I78-C183 HydrophobicContact CG1-CB 3.89Å; N81-C183 PolarHBondContact OD1-SG 3.34Å; F161-C183 HydrophobicContact CZ-CB 4.18Å; D179-C183 WeakPolarHBondContact O-CB 3.35Å; D179-C183 PolarHBondContact O-N 3.43Å
184R96.4Very high96.3Very high58 Ų5852.1 Ų52.122%0.21926%0.264CS..  trans-95117.4-178.5177.760.7175.2151.66.3109.8E48 N81 I155 R182E48-R184 IonicContact OE1-CZ 3.29Å; E48-R184 IonicContact OE1-NE 3.78Å; E48-R184 PolarHBondContact OE1-NE 2.99Å; E48-R184 IonicContact OE1-NH2 3.77Å; E48-R184 PolarHBondContact OE1-NH2 3.43Å; N81-R184 PolarHBondContact ND2-O 3.16Å; N81-R184 PolarHBondContact OD1-N 2.84Å; N81-R184 PolarHBondContact OD1-O 3.29Å; I155-R184 HydrophobicContact CD1-CB 4.41Å; I155-R184 HydrophobicContact CG2-CG 4.18Å; R182-R184 PolarHBondContact O-N 3.13Å
185V95.4Very high96.3Very high61 Ų6149.9 Ų49.937%0.3725%0.249SC..  trans-123.5134.7163.6-178.70000107.3D77 T187D77-V185 HydrophobicContact CB-CG2 4.12Å; V185-T187 PolarHBondContact O-N 3.27Å
186M94.6Very high96Very high113 Ų11354.6 Ų54.656%0.55727%0.271SS*.  trans-69.9116.3174.7173.7157.775.300109.8T188 Q210M186-T188 HydrophobicContact CE-CG2 4.43Å; M186-T188 HydrophobicContact CG-CG2 4.23Å; M186-T188 PolarHBondContact O-N 2.92Å; M186-Q210 VanDerWaalsContact CG-NE2 3.28Å; M186-Q210 HydrophobicContact SD-CG 4.2Å; M186-Q210 PolarHBondContact SD-NE2 2.93Å; M186-Q210 VanDerWaalsContact SD-NE2 3.43Å
187T94Very high95.7Very high17 Ų1752.9 Ų52.910%0.10426%0.259CS..  trans-70.5118.6175.4-44.90000109.9S52 V185 F191 G208S52-T187 PolarHBondContact OG-OG1 3.49Å; V185-T187 PolarHBondContact O-N 3.27Å; T187-F191 HydrophobicContact CG2-CD2 3.6Å; T187-F191 HydrophobicContact CG2-CE2 3.58Å; T187-G208 WeakPolarHBondContact O-CA 3.33Å
188T93.3Very high95.3Very high80 Ų8055.2 Ų55.249%0.49127%0.274SS..  trans-119126.6173.256.10000108.6M186 F191M186-T188 HydrophobicContact CE-CG2 4.43Å; M186-T188 HydrophobicContact CG-CG2 4.23Å; M186-T188 PolarHBondContact O-N 2.92Å; T188-F191 WeakPolarHBondContact O-CE2 3.36Å; T188-F191 WeakPolarHBondContact O-CZ 3.17Å
189G93.5Very high94.8Very high17 Ų1760.9 Ų60.918%0.17530%0.297CS..SBendtrans89.1-155.2-175.700000114.6V207 G208 E213G189-V207 WeakPolarHBondContact O-CA 3.27Å; G189-G208 PolarHBondContact O-N 3.25Å; G189-G208 VanDerWaalsContact O-N 3.13Å; G189-E213 PolarHBondContact N-OE2 3.05Å
190I95.2Very high94.4Very high49 Ų4962.1 Ų62.125%0.25131%0.305SS..EExtended strand (participates in β ladder)trans-122.6126.1-173.9-59.1161.8000107.5F205 D206 V207 K216 Q219 C220I190-F205 HydrophobicContact CG2-CD1 4.35Å; I190-D206 WeakPolarHBondContact CA-O 3.37Å; I190-V207 HydrophobicContact CB-CG1 4.35Å; I190-V207 HydrophobicContact CG1-CG1 3.9Å; I190-V207 HydrophobicContact CG2-CG1 4.16Å; I190-K216 HydrophobicContact CD1-CB 4.37Å; I190-K216 HydrophobicContact CG1-CB 4.5Å; I190-Q219 HydrophobicContact CD1-CB 3.86Å; I190-Q219 HydrophobicContact CD1-CG 4.48Å; I190-C220 VanDerWaalsContact CG2-SG 3.54Å
191F96.5Very high94.2Very high110 Ų11066 Ų6648%0.48232%0.319SS..EExtended strand (participates in β ladder)trans-117.8134.7177.4-63.6-88.5000109.8T187 T188 F205 D206T187-F191 HydrophobicContact CG2-CD2 3.6Å; T187-F191 HydrophobicContact CG2-CE2 3.58Å; T188-F191 WeakPolarHBondContact O-CE2 3.36Å; T188-F191 WeakPolarHBondContact O-CZ 3.17Å; F191-F205 WeakPolarHBondContact O-CA 3.37Å; F191-D206 PolarHBondContact N-O 2.94Å; F191-D206 PolarHBondContact O-N 3.27Å
192E96.2Very high94Very high112 Ų11266 Ų6652%0.52332%0.319SS..EExtended strand (participates in β ladder)trans-105.6137.4-180-68.8-178.9-160.100110H203 M204 F205E192-H203 IonicContact OE2-CE1 2.98Å; E192-H203 PolarHBondContact OE2-CE1 3.25Å; E192-H203 IonicContact OE2-NE2 3.55Å; E192-H203 PolarHBondContact OE2-NE2 3.21Å; E192-M204 CarbonylContact C-O 3.51Å; E192-M204 WeakPolarHBondContact CA-O 3.28Å; E192-F205 HydrophobicContact CG-CD1 3.76Å; E192-F205 HydrophobicContact CG-CE1 3.67Å
193T96.4Very high94Very high22 Ų2263.5 Ų63.514%0.13531%0.31CS..EExtended strand (participates in β ladder)trans-134.9126.5172.4-63.70000109.2V55 R59 I63 F195 M204V55-T193 HydrophobicContact CG1-CG2 4.19Å; V55-T193 VanDerWaalsContact CG1-OG1 3.27Å; V55-T193 WeakPolarHBondContact CG1-OG1 3.46Å; R59-T193 HydrophobicContact CG-CG2 4.4Å; I63-T193 HydrophobicContact CD1-CG2 3.59Å; T193-F195 HydrophobicContact CG2-CD1 4.37Å; T193-M204 PolarHBondContact N-O 2.84Å; T193-M204 WeakPolarHBondContact O-CB 3.21Å; T193-M204 PolarHBondContact O-N 3.27Å
194K96.1Very high93.9Very high141 Ų14163.4 Ų63.461%0.61331%0.309SS*.EExtended strand (participates in β ladder)trans-112.5132.3-179.5-63.9175.1-174172.10109.1F202 H203K194-F202 WeakPolarHBondContact CA-O 3.3Å; K194-H203 VanDerWaalsContact CE-CE1 3.48Å; K194-H203 WeakPolarHBondContact CE-CE1 3.36Å; K194-H203 VanDerWaalsContact CE-NE2 3.27Å; K194-H203 WeakPolarHBondContact CE-NE2 3.29Å; K194-H203 HydrophobicContact CG-CB 4.49Å
195F95.4Very high93.9Very high13 Ų1361 Ų616%0.05730%0.301CS..EExtended strand (participates in β ladder)trans-149.8163.6178.658.9-83.3000111M58 H62 I63 T193 V197 F202 M204 F359M58-F195 HydrophobicContact CB-CD1 4.19Å; M58-F195 HydrophobicContact CB-CE1 3.94Å; M58-F195 HydrophobicContact CB-CZ 4.18Å; M58-F195 HydrophobicContact CG-CE1 3.86Å; M58-F195 HydrophobicContact CG-CE2 4.42Å; M58-F195 HydrophobicContact CG-CZ 3.77Å; M58-F195 HydrophobicContact SD-CE1 4.31Å; M58-F195 HydrophobicContact SD-CE2 3.86Å; M58-F195 HydrophobicContact SD-CZ 3.6Å; H62-F195 HydrophobicContact CB-CB 4.07Å; H62-F195 HydrophobicContact CB-CD2 4.06Å; H62-F195 HydrophobicContact CB-CG 4.4Å; H62-F195 AromaticContact CD2-CD2 3.86Å; I63-F195 HydrophobicContact CD1-CB 3.97Å; I63-F195 HydrophobicContact CG1-CB 3.85Å; T193-F195 HydrophobicContact CG2-CD1 4.37Å; F195-V197 HydrophobicContact CD2-CG2 3.76Å; F195-V197 HydrophobicContact CE2-CG2 3.92Å; F195-F202 HydrophobicContact CD1-CB 4.1Å; F195-F202 HydrophobicContact CD2-CB 4.01Å; F195-F202 HydrophobicContact CD2-CD2 4.05Å; F195-F202 HydrophobicContact CD2-CG 4.35Å; F195-F202 HydrophobicContact CE1-CB 3.72Å; F195-F202 HydrophobicContact CE2-CB 3.62Å; F195-F202 AromaticContact CE2-CD2 3.67Å; F195-F202 HydrophobicContact CE2-CD2 3.67Å; F195-F202 AromaticContact CE2-CG 3.74Å; F195-F202 HydrophobicContact CE2-CG 3.74Å; F195-F202 HydrophobicContact CG-CB 4.23Å; F195-F202 HydrophobicContact CZ-CB 3.47Å; F195-F202 VanDerWaalsContact CZ-CB 3.47Å; F195-F202 HydrophobicContact CZ-CD2 4.3Å; F195-F202 AromaticContact CZ-CG 3.89Å; F195-F202 HydrophobicContact CZ-CG 3.89Å; F195-F202 PolarHBondContact N-O 3.28Å; F195-F202 VanDerWaalsContact N-O 3.08Å; F195-F202 PolarHBondContact O-N 2.99Å; F195-M204 HydrophobicContact CE1-CB 3.95Å; F195-M204 HydrophobicContact CE1-CE 3.87Å; F195-M204 HydrophobicContact CE1-SD 4.16Å; F195-M204 HydrophobicContact CZ-CE 3.83Å; F195-F359 AromaticContact CE2-CE1 3.93Å; F195-F359 HydrophobicContact CE2-CE1 3.93Å; F195-F359 HydrophobicContact CE2-CE2 4.39Å; F195-F359 AromaticContact CE2-CZ 3.55Å; F195-F359 HydrophobicContact CE2-CZ 3.55Å; F195-F359 HydrophobicContact CZ-CE1 4.48Å; F195-F359 HydrophobicContact CZ-CE2 4.13Å; F195-F359 AromaticContact CZ-CZ 3.7Å; F195-F359 HydrophobicContact CZ-CZ 3.7Å
196E92.6Very high94Very high99 Ų9958.5 Ų58.546%0.46329%0.285SS..EExtended strand (participates in β ladder)trans-125.6135179-170.7175.3113.600109.7K199 V200 R201E196-K199 WeakPolarHBondContact OE1-CA 3.41Å; E196-V200 WeakPolarHBondContact CA-O 3.47Å; E196-R201 HydrophobicContact CB-CG 4.44Å; E196-R201 HydrophobicContact CG-CG 4.15Å; E196-R201 WeakPolarHBondContact OE2-CG 3.25Å
197V91.1Very high94.1Very high11 Ų1153.1 Ų53.17%0.06726%0.259CS..EExtended strand (participates in β ladder)trans-130.8119.5175.3-170.40000107.7H62 F195 K199 V200 F202 F359H62-V197 HydrophobicContact CB-CG2 4.49Å; F195-V197 HydrophobicContact CD2-CG2 3.76Å; F195-V197 HydrophobicContact CE2-CG2 3.92Å; V197-K199 VanDerWaalsContact C-N 3.27Å; V197-K199 PolarHBondContact O-N 3.19Å; V197-V200 PolarHBondContact N-O 3.42Å; V197-V200 WeakPolarHBondContact O-CB 3.4Å; V197-V200 PolarHBondContact O-N 3.48Å; V197-F202 HydrophobicContact CB-CE2 4.11Å; V197-F202 HydrophobicContact CG2-CD2 4.21Å; V197-F202 HydrophobicContact CG2-CE2 4.14Å; V197-F359 HydrophobicContact CG2-CE1 4.12Å
198D88.1Confident94.2Very high122 Ų12252.4 Ų52.465%0.65225%0.254SS*.THydrogen-bonded Turntrans48.246.4-178.9-60.4-26.6000113.4V200 R363D198-V200 PolarHBondContact O-N 2.82Å; D198-R363 IonicContact OD2-CZ 2.59Å; D198-R363 IonicContact OD2-NH1 3.71Å; D198-R363 PolarHBondContact OD2-NH1 3.45Å; D198-R363 IonicContact OD2-NH2 2.61Å
199K87Confident94.3Very high178 Ų17848.6 Ų48.677%0.77423%0.231SC*.THydrogen-bonded Turntrans68.21.9-177.3-52.2174.4-179.7174.90115.7E196 V197E196-K199 WeakPolarHBondContact OE1-CA 3.41Å; V197-K199 VanDerWaalsContact C-N 3.27Å; V197-K199 PolarHBondContact O-N 3.19Å
200V89.9Confident94.4Very high28 Ų2849 Ų4917%0.1723%0.228CC..EExtended strand (participates in β ladder)trans-91.6124.6173.3-176.30000108.9H39 E196 V197 D198 F202H39-V200 WeakPolarHBondContact CD2-CG1 3.38Å; H39-V200 WeakPolarHBondContact NE2-CG1 3.36Å; E196-V200 WeakPolarHBondContact CA-O 3.47Å; V197-V200 PolarHBondContact N-O 3.42Å; V197-V200 WeakPolarHBondContact O-CB 3.4Å; V197-V200 PolarHBondContact O-N 3.48Å; D198-V200 PolarHBondContact O-N 2.82Å; V200-F202 HydrophobicContact CB-CE2 3.95Å; V200-F202 HydrophobicContact CB-CZ 4.32Å; V200-F202 HydrophobicContact CG1-CD2 4.48Å; V200-F202 HydrophobicContact CG1-CE1 4.44Å; V200-F202 HydrophobicContact CG1-CE2 3.68Å; V200-F202 HydrophobicContact CG1-CZ 3.66Å; V200-F202 WeakPolarHBondContact O-CD2 3.4Å; V200-F202 WeakPolarHBondContact O-CE2 3.14Å
201R92.7Very high94.4Very high83 Ų8350.5 Ų50.531%0.31323%0.231SC..EExtended strand (participates in β ladder)trans-93.1136.2-177.7-72.1178-68.8-102.95.7111.4L34 T38 H39 E196L34-R201 VanDerWaalsContact CD1-NH2 3.34Å; T38-R201 WeakPolarHBondContact CA-O 3.43Å; T38-R201 HydrophobicContact CG2-CB 4.12Å; H39-R201 PolarHBondContact N-O 2.86Å; E196-R201 HydrophobicContact CB-CG 4.44Å; E196-R201 HydrophobicContact CG-CG 4.15Å; E196-R201 WeakPolarHBondContact OE2-CG 3.25Å
202F95Very high94.3Very high2 Ų251.7 Ų51.71%0.00924%0.243CC..EExtended strand (participates in β ladder)trans-120.5138.1177.4-64.3-86.4000110.2H39 L41 K194 F195 V197 V200 F359 R363 I366H39-F202 HydrophobicContact CB-CD1 3.82Å; H39-F202 HydrophobicContact CB-CE1 3.98Å; H39-F202 AromaticContact CD2-CE1 3.78Å; H39-F202 CarbonylContact O-C 3.53Å; H39-F202 WeakPolarHBondContact O-CA 3.21Å; L41-F202 HydrophobicContact CD1-CD1 3.64Å; L41-F202 HydrophobicContact CD1-CE1 4.26Å; L41-F202 HydrophobicContact CD1-CG 4.48Å; L41-F202 HydrophobicContact CG-CD1 4.13Å; K194-F202 WeakPolarHBondContact CA-O 3.3Å; F195-F202 HydrophobicContact CD1-CB 4.1Å; F195-F202 HydrophobicContact CD2-CB 4.01Å; F195-F202 HydrophobicContact CD2-CD2 4.05Å; F195-F202 HydrophobicContact CD2-CG 4.35Å; F195-F202 HydrophobicContact CE1-CB 3.72Å; F195-F202 HydrophobicContact CE2-CB 3.62Å; F195-F202 AromaticContact CE2-CD2 3.67Å; F195-F202 HydrophobicContact CE2-CD2 3.67Å; F195-F202 AromaticContact CE2-CG 3.74Å; F195-F202 HydrophobicContact CE2-CG 3.74Å; F195-F202 HydrophobicContact CG-CB 4.23Å; F195-F202 HydrophobicContact CZ-CB 3.47Å; F195-F202 VanDerWaalsContact CZ-CB 3.47Å; F195-F202 HydrophobicContact CZ-CD2 4.3Å; F195-F202 AromaticContact CZ-CG 3.89Å; F195-F202 HydrophobicContact CZ-CG 3.89Å; F195-F202 PolarHBondContact N-O 3.28Å; F195-F202 VanDerWaalsContact N-O 3.08Å; F195-F202 PolarHBondContact O-N 2.99Å; V197-F202 HydrophobicContact CB-CE2 4.11Å; V197-F202 HydrophobicContact CG2-CD2 4.21Å; V197-F202 HydrophobicContact CG2-CE2 4.14Å; V200-F202 HydrophobicContact CB-CE2 3.95Å; V200-F202 HydrophobicContact CB-CZ 4.32Å; V200-F202 HydrophobicContact CG1-CD2 4.48Å; V200-F202 HydrophobicContact CG1-CE1 4.44Å; V200-F202 HydrophobicContact CG1-CE2 3.68Å; V200-F202 HydrophobicContact CG1-CZ 3.66Å; V200-F202 WeakPolarHBondContact O-CD2 3.4Å; V200-F202 WeakPolarHBondContact O-CE2 3.14Å; F202-F359 HydrophobicContact CD1-CZ 4.25Å; F202-F359 HydrophobicContact CD2-CZ 4.42Å; F202-F359 HydrophobicContact CE1-CZ 4.17Å; F202-F359 HydrophobicContact CE2-CE1 4.46Å; F202-F359 HydrophobicContact CE2-CZ 4.36Å; F202-F359 HydrophobicContact CG-CZ 4.37Å; F202-F359 HydrophobicContact CZ-CZ 4.23Å; F202-R363 HydrophobicContact CZ-CG 4.21Å; F202-I366 HydrophobicContact CE1-CD1 4.35Å; F202-I366 HydrophobicContact CE1-CG2 4.46Å
203H95.9Very high94.3Very high14 Ų1447.7 Ų47.77%0.06522%0.224CC..EExtended strand (participates in β ladder)trans-122.5106.5170.9-170.4-172.3000108.7T38 H39 R40 L41 E192 K194 F205T38-H203 HydrophobicContact CG2-CB 3.72Å; H39-H203 PolarHBondContact O-N 3.4Å; R40-H203 CarbonylContact C-O 3.57Å; R40-H203 VanDerWaalsContact CA-O 3.3Å; R40-H203 WeakPolarHBondContact CA-O 3.49Å; R40-H203 HydrophobicContact CG-CB 4.35Å; L41-H203 PolarHBondContact N-O 2.74Å; E192-H203 IonicContact OE2-CE1 2.98Å; E192-H203 PolarHBondContact OE2-CE1 3.25Å; E192-H203 IonicContact OE2-NE2 3.55Å; E192-H203 PolarHBondContact OE2-NE2 3.21Å; K194-H203 VanDerWaalsContact CE-CE1 3.48Å; K194-H203 WeakPolarHBondContact CE-CE1 3.36Å; K194-H203 VanDerWaalsContact CE-NE2 3.27Å; K194-H203 WeakPolarHBondContact CE-NE2 3.29Å; K194-H203 HydrophobicContact CG-CB 4.49Å; H203-F205 HydrophobicContact CB-CE2 4.46Å; H203-F205 AromaticContact CE1-CE1 3.78Å; H203-F205 AromaticContact CE1-CZ 3.29Å; H203-F205 WeakPolarHBondContact CE1-CZ 3.46Å; H203-F205 AromaticContact CG-CE2 3.9Å; H203-F205 AromaticContact CG-CZ 3.87Å; H203-F205 AromaticContact ND1-CE2 3.86Å; H203-F205 AromaticContact ND1-CZ 3.42Å; H203-F205 WeakPolarHBondContact ND1-CZ 3.34Å; H203-F205 AromaticContact NE2-CE1 3.94Å; H203-F205 AromaticContact NE2-CZ 3.71Å
204M96.8Very high94.2Very high1 Ų148.9 Ų48.91%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-104.9131.4-170.8-176173.1-80.300110.9L41 L43 V55 M58 E192 T193 F195 I228 F359L41-M204 HydrophobicContact CB-CE 4.47Å; L41-M204 HydrophobicContact CD1-CE 3.87Å; L41-M204 CarbonylContact O-C 3.59Å; L41-M204 WeakPolarHBondContact O-CA 3.21Å; L43-M204 HydrophobicContact CD1-CE 4.27Å; L43-M204 HydrophobicContact CD1-CG 3.12Å; L43-M204 HydrophobicContact CD1-SD 3.58Å; L43-M204 VanDerWaalsContact CD1-SD 3.58Å; V55-M204 HydrophobicContact CG2-CG 4.28Å; V55-M204 HydrophobicContact CG2-SD 3.81Å; M58-M204 HydrophobicContact CG-CE 3.7Å; M58-M204 HydrophobicContact CG-SD 3.76Å; M58-M204 HydrophobicContact SD-CE 4.27Å; E192-M204 CarbonylContact C-O 3.51Å; E192-M204 WeakPolarHBondContact CA-O 3.28Å; T193-M204 PolarHBondContact N-O 2.84Å; T193-M204 WeakPolarHBondContact O-CB 3.21Å; T193-M204 PolarHBondContact O-N 3.27Å; F195-M204 HydrophobicContact CE1-CB 3.95Å; F195-M204 HydrophobicContact CE1-CE 3.87Å; F195-M204 HydrophobicContact CE1-SD 4.16Å; F195-M204 HydrophobicContact CZ-CE 3.83Å; M204-I228 HydrophobicContact CE-CD1 4.44Å; M204-F359 HydrophobicContact CE-CE2 4.41Å
205F97.3Very high94.1Very high8 Ų852.8 Ų52.84%0.03524%0.237CC..EExtended strand (participates in β ladder)trans-112116.5179.8-60.3-92.6000109.7R40 L41 L42 L43 I190 F191 E192 H203R40-F205 HydrophobicContact CB-CE2 4.21Å; R40-F205 HydrophobicContact CG-CE2 4.41Å; R40-F205 VanDerWaalsContact NH2-CZ 3.27Å; L41-F205 PolarHBondContact O-N 2.59Å; L42-F205 HydrophobicContact CD1-CB 3.79Å; L43-F205 WeakPolarHBondContact CD1-O 3.48Å; L43-F205 PolarHBondContact N-O 2.98Å; I190-F205 HydrophobicContact CG2-CD1 4.35Å; F191-F205 WeakPolarHBondContact O-CA 3.37Å; E192-F205 HydrophobicContact CG-CD1 3.76Å; E192-F205 HydrophobicContact CG-CE1 3.67Å; H203-F205 HydrophobicContact CB-CE2 4.46Å; H203-F205 AromaticContact CE1-CE1 3.78Å; H203-F205 AromaticContact CE1-CZ 3.29Å; H203-F205 WeakPolarHBondContact CE1-CZ 3.46Å; H203-F205 AromaticContact CG-CE2 3.9Å; H203-F205 AromaticContact CG-CZ 3.87Å; H203-F205 AromaticContact ND1-CE2 3.86Å; H203-F205 AromaticContact ND1-CZ 3.42Å; H203-F205 WeakPolarHBondContact ND1-CZ 3.34Å; H203-F205 AromaticContact NE2-CE1 3.94Å; H203-F205 AromaticContact NE2-CZ 3.71Å
206D97.3Very high94.1Very high8 Ų855.4 Ų55.44%0.04325%0.248CC..EExtended strand (participates in β ladder)trans-104.1132.7170.6-179.334.8000110.1K51 S52 V55 I190 F191K51-D206 WeakPolarHBondContact CB-OD1 3.48Å; S52-D206 VanDerWaalsContact CA-OD2 3.28Å; S52-D206 WeakPolarHBondContact CA-OD2 3.42Å; S52-D206 VanDerWaalsContact CB-OD2 3.24Å; S52-D206 WeakPolarHBondContact CB-OD2 3.37Å; S52-D206 PolarHBondContact OG-OD2 3.43Å; V55-D206 HydrophobicContact CG2-CB 3.67Å; I190-D206 WeakPolarHBondContact CA-O 3.37Å; F191-D206 PolarHBondContact N-O 2.94Å; F191-D206 PolarHBondContact O-N 3.27Å
207V96.9Very high94.3Very high1 Ų151.1 Ų51.11%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-130.9148.7-173-60.80000110.6L42 L43 L44 K51 G189 I190 G209 W217L42-V207 HydrophobicContact CD1-CG1 4.47Å; L43-V207 WeakPolarHBondContact O-CG2 3.5Å; L44-V207 HydrophobicContact CD2-CG2 3.9Å; K51-V207 WeakPolarHBondContact CE-O 3.25Å; G189-V207 WeakPolarHBondContact O-CA 3.27Å; I190-V207 HydrophobicContact CB-CG1 4.35Å; I190-V207 HydrophobicContact CG1-CG1 3.9Å; I190-V207 HydrophobicContact CG2-CG1 4.16Å; V207-G209 PolarHBondContact O-N 3.21Å; V207-W217 VanDerWaalsContact CG2-CD1 3.41Å; V207-W217 HydrophobicContact CG2-CD2 4.36Å; V207-W217 HydrophobicContact CG2-CG 4.09Å; V207-W217 VanDerWaalsContact CG2-NE1 3.25Å
208G96Very high94.4Very high1 Ų155.1 Ų55.11%0.0125%0.248CC..  trans-52.613117200000111.6T187 G189 E213 W217T187-G208 WeakPolarHBondContact O-CA 3.33Å; G189-G208 PolarHBondContact O-N 3.25Å; G189-G208 VanDerWaalsContact O-N 3.13Å; G208-E213 WeakPolarHBondContact O-CB 3.44Å; G208-W217 PolarHBondContact O-NE1 2.65Å
209G95.1Very high94.7Very high1 Ų155.8 Ų55.81%0.0125%0.247CC..  trans-94.1-16.5-174.800000114.8G45 G47 V207 R214G45-G209 WeakPolarHBondContact O-CA 3.36Å; G47-G209 VanDerWaalsContact N-C 3.27Å; G47-G209 PolarHBondContact N-O 3.34Å; V207-G209 PolarHBondContact O-N 3.21Å; G209-R214 PolarHBondContact O-NE 3.45Å; G209-R214 VanDerWaalsContact O-NE 3.16Å
210Q95.5Very high95Very high24 Ų2447.6 Ų47.611%0.11221%0.212CC..SBendtrans-62.5150.1-180-67.779.5-6.600110M186 D212 E213 R214 E242M186-Q210 VanDerWaalsContact CG-NE2 3.28Å; M186-Q210 HydrophobicContact SD-CG 4.2Å; M186-Q210 PolarHBondContact SD-NE2 2.93Å; M186-Q210 VanDerWaalsContact SD-NE2 3.43Å; Q210-D212 PolarHBondContact O-N 3.37Å; Q210-D212 VanDerWaalsContact O-N 3.15Å; Q210-E213 HydrophobicContact CB-CG 4.32Å; Q210-E213 PolarHBondContact O-N 2.91Å; Q210-R214 VanDerWaalsContact O-CG 3.3Å; Q210-R214 WeakPolarHBondContact O-CG 3.35Å; Q210-R214 PolarHBondContact O-N 3.23Å; Q210-E242 VanDerWaalsContact CA-OE1 3.24Å; Q210-E242 WeakPolarHBondContact CA-OE1 3.47Å; Q210-E242 WeakPolarHBondContact CB-OE1 3.48Å
211R95.3Very high95.2Very high81 Ų8147.3 Ų47.331%0.30621%0.208SC..G310 helixtrans-52.7-41.1-174.2-75.9-176.5169.6175.8-1.9112.8E213 R214 E242 D243 E251R211-E213 VanDerWaalsContact C-N 3.29Å; R211-E213 PolarHBondContact O-N 3.44Å; R211-R214 PolarHBondContact O-N 3.5Å; R211-E242 PolarHBondContact N-OE1 3.24Å; R211-E242 VanDerWaalsContact N-OE1 3.16Å; R211-D243 IonicContact CZ-OD2 2.74Å; R211-D243 VanDerWaalsContact NH1-CB 3.35Å; R211-D243 IonicContact NH1-OD2 3.67Å; R211-D243 PolarHBondContact NH1-OD2 3.36Å; R211-D243 IonicContact NH2-OD2 3.66Å; R211-E251 IonicContact CZ-OE1 3.97Å; R211-E251 IonicContact CZ-OE2 2.68Å; R211-E251 IonicContact NE-OE1 3.06Å; R211-E251 PolarHBondContact NE-OE1 2.85Å; R211-E251 IonicContact NE-OE2 3.99Å; R211-E251 IonicContact NH2-OE1 3.75Å; R211-E251 IonicContact NH2-OE2 3.74Å; R211-E251 PolarHBondContact NH2-OE2 3.4Å
212D94.2Very high95Very high136 Ų13648.6 Ų48.673%0.72722%0.221SC*.G310 helixtrans-70.2-23.4-179.3-63.2-27000113.9Q210Q210-D212 PolarHBondContact O-N 3.37Å; Q210-D212 VanDerWaalsContact O-N 3.15Å
213E95.7Very high94.7Very high27 Ų2753.3 Ų53.313%0.12625%0.247CC..G310 helixtrans-85.1-20.2179.8-65.6-64113.100112.5G189 G208 Q210 R211 R215 K216G189-E213 PolarHBondContact N-OE2 3.05Å; G208-E213 WeakPolarHBondContact O-CB 3.44Å; Q210-E213 HydrophobicContact CB-CG 4.32Å; Q210-E213 PolarHBondContact O-N 2.91Å; R211-E213 VanDerWaalsContact C-N 3.29Å; R211-E213 PolarHBondContact O-N 3.44Å; E213-R215 PolarHBondContact O-N 3.41Å; E213-R215 VanDerWaalsContact O-N 3.14Å; E213-K216 WeakPolarHBondContact O-CB 3.38Å; E213-K216 PolarHBondContact O-N 3.08Å; E213-K216 IonicContact OE1-NZ 2.94Å; E213-K216 PolarHBondContact OE1-NZ 2.87Å; E213-K216 IonicContact OE2-NZ 3.19Å; E213-K216 PolarHBondContact OE2-NZ 3.4Å
214R95.3Very high94.5Very high48 Ų4853.1 Ų53.118%0.18125%0.246CC..G310 helixtrans-63.8-25.2-172.5-54.3-166.6-172.3157.24.9114.2G209 Q210 R211 K216 W217 E251G209-R214 PolarHBondContact O-NE 3.45Å; G209-R214 VanDerWaalsContact O-NE 3.16Å; Q210-R214 VanDerWaalsContact O-CG 3.3Å; Q210-R214 WeakPolarHBondContact O-CG 3.35Å; Q210-R214 PolarHBondContact O-N 3.23Å; R211-R214 PolarHBondContact O-N 3.5Å; R214-K216 PolarHBondContact O-N 3.4Å; R214-W217 HydrophobicContact CB-CD2 4.1Å; R214-W217 HydrophobicContact CB-CE3 4.38Å; R214-W217 HydrophobicContact CB-CH2 4.48Å; R214-W217 HydrophobicContact CB-CZ2 4.2Å; R214-W217 HydrophobicContact CG-CD2 4.42Å; R214-W217 HydrophobicContact CG-CH2 3.92Å; R214-W217 HydrophobicContact CG-CZ2 3.61Å; R214-W217 HydrophobicContact CG-CZ3 4.45Å; R214-W217 VanDerWaalsContact O-CB 3.31Å; R214-W217 WeakPolarHBondContact O-CB 3.39Å; R214-W217 VanDerWaalsContact O-CG 3.24Å; R214-W217 PolarHBondContact O-N 3.06Å; R214-W217 VanDerWaalsContact O-N 3.15Å; R214-E251 IonicContact CZ-OE1 2.8Å; R214-E251 IonicContact NH1-OE1 3.16Å; R214-E251 PolarHBondContact NH1-OE1 3.09Å; R214-E251 IonicContact NH2-OE1 2.75Å; R214-E251 PolarHBondContact NH2-OE1 3.08Å
215R94Very high94.3Very high222 Ų22253.5 Ų53.584%0.83825%0.249SC*.G310 helixtrans-61.3-28.1174.9-66.2-178.3-178.9179.32.1112.2E213 W217 I218E213-R215 PolarHBondContact O-N 3.41Å; E213-R215 VanDerWaalsContact O-N 3.14Å; R215-W217 VanDerWaalsContact C-N 3.29Å; R215-W217 PolarHBondContact O-N 2.87Å; R215-I218 WeakPolarHBondContact O-CG2 3.31Å
216K95.3Very high94.1Very high68 Ų6853.1 Ų53.130%0.29625%0.247SC..G310 helixtrans-74-20179.8-58.2175.3-173.31660112.3I190 E213 R214 I218 Q219I190-K216 HydrophobicContact CD1-CB 4.37Å; I190-K216 HydrophobicContact CG1-CB 4.5Å; E213-K216 WeakPolarHBondContact O-CB 3.38Å; E213-K216 PolarHBondContact O-N 3.08Å; E213-K216 IonicContact OE1-NZ 2.94Å; E213-K216 PolarHBondContact OE1-NZ 2.87Å; E213-K216 IonicContact OE2-NZ 3.19Å; E213-K216 PolarHBondContact OE2-NZ 3.4Å; R214-K216 PolarHBondContact O-N 3.4Å; K216-I218 PolarHBondContact O-N 2.97Å; K216-Q219 VanDerWaalsContact O-CB 3.27Å; K216-Q219 WeakPolarHBondContact O-CB 3.18Å; K216-Q219 WeakPolarHBondContact O-CG 3.41Å; K216-Q219 PolarHBondContact O-N 3.3Å
217W96.3Very high94Very high9 Ų952.8 Ų52.83%0.03425%0.246CC..G310 helixtrans-59.9-32.9-174.5-63.40.7000113.8L44 V207 G208 R214 R215 Q219 C220 F221 L255 I259L44-W217 HydrophobicContact CB-CZ3 4.41Å; L44-W217 HydrophobicContact CD1-CE3 4.44Å; L44-W217 HydrophobicContact CD2-CB 4.41Å; L44-W217 HydrophobicContact CD2-CD2 3.74Å; L44-W217 HydrophobicContact CD2-CE3 3.75Å; L44-W217 HydrophobicContact CD2-CG 4.07Å; L44-W217 HydrophobicContact CD2-CZ3 4.21Å; V207-W217 VanDerWaalsContact CG2-CD1 3.41Å; V207-W217 HydrophobicContact CG2-CD2 4.36Å; V207-W217 HydrophobicContact CG2-CG 4.09Å; V207-W217 VanDerWaalsContact CG2-NE1 3.25Å; G208-W217 PolarHBondContact O-NE1 2.65Å; R214-W217 HydrophobicContact CB-CD2 4.1Å; R214-W217 HydrophobicContact CB-CE3 4.38Å; R214-W217 HydrophobicContact CB-CH2 4.48Å; R214-W217 HydrophobicContact CB-CZ2 4.2Å; R214-W217 HydrophobicContact CG-CD2 4.42Å; R214-W217 HydrophobicContact CG-CH2 3.92Å; R214-W217 HydrophobicContact CG-CZ2 3.61Å; R214-W217 HydrophobicContact CG-CZ3 4.45Å; R214-W217 VanDerWaalsContact O-CB 3.31Å; R214-W217 WeakPolarHBondContact O-CB 3.39Å; R214-W217 VanDerWaalsContact O-CG 3.24Å; R214-W217 PolarHBondContact O-N 3.06Å; R214-W217 VanDerWaalsContact O-N 3.15Å; R215-W217 VanDerWaalsContact C-N 3.29Å; R215-W217 PolarHBondContact O-N 2.87Å; W217-Q219 PolarHBondContact O-N 2.96Å; W217-Q219 VanDerWaalsContact O-N 3.1Å; W217-C220 PolarHBondContact O-N 3.48Å; W217-F221 HydrophobicContact CB-CE1 3.98Å; W217-F221 HydrophobicContact CB-CZ 4.27Å; W217-F221 WeakPolarHBondContact O-CD1 3.36Å; W217-F221 WeakPolarHBondContact O-CE1 3.44Å; W217-L255 HydrophobicContact CH2-CD1 3.8Å; W217-L255 HydrophobicContact CH2-CD2 3.85Å; W217-L255 HydrophobicContact CH2-CG 4.26Å; W217-L255 HydrophobicContact CZ3-CD1 3.69Å; W217-L255 HydrophobicContact CZ3-CD2 4.49Å; W217-L255 HydrophobicContact CZ3-CG 4.41Å; W217-I259 HydrophobicContact CE3-CD1 4.05Å; W217-I259 HydrophobicContact CZ3-CD1 3.93Å; W217-I259 HydrophobicContact CZ3-CG1 4.33Å
218I93.2Very high94Very high95 Ų9552.8 Ų52.849%0.48725%0.246SC..G310 helixtrans-58.1-26.2178.9-163.7171000112.4R215 K216 C220 F221R215-I218 WeakPolarHBondContact O-CG2 3.31Å; K216-I218 PolarHBondContact O-N 2.97Å; I218-C220 PolarHBondContact O-N 2.85Å; I218-F221 HydrophobicContact CG1-CD2 4.35Å; I218-F221 PolarHBondContact O-N 2.87Å
219Q93.7Very high94.1Very high137 Ų13752.8 Ų52.864%0.6425%0.245SC*.G310 helixtrans-66-19.6177.5-57.8176.916.600112.4I190 K216 W217I190-Q219 HydrophobicContact CD1-CB 3.86Å; I190-Q219 HydrophobicContact CD1-CG 4.48Å; K216-Q219 VanDerWaalsContact O-CB 3.27Å; K216-Q219 WeakPolarHBondContact O-CB 3.18Å; K216-Q219 WeakPolarHBondContact O-CG 3.41Å; K216-Q219 PolarHBondContact O-N 3.3Å; W217-Q219 PolarHBondContact O-N 2.96Å; W217-Q219 VanDerWaalsContact O-N 3.1Å
220C94.7Very high94.3Very high5 Ų552.7 Ų52.73%0.03425%0.245CC..G310 helixtrans-103.20.9-179.6-54.80000113.7L42 I190 W217 I218 N222 V224L42-C220 HydrophobicContact CD1-CB 3.56Å; L42-C220 HydrophobicContact CD2-CB 4.24Å; I190-C220 VanDerWaalsContact CG2-SG 3.54Å; W217-C220 PolarHBondContact O-N 3.48Å; I218-C220 PolarHBondContact O-N 2.85Å; C220-N222 VanDerWaalsContact C-N 3.29Å; C220-N222 PolarHBondContact O-N 3.28Å; C220-V224 WeakPolarHBondContact O-CG2 3.38Å
221F93.5Very high94.5Very high22 Ų2251.6 Ų51.610%0.09624%0.239CC..  trans-78.2-9.8-172.4-75.97.8000114.3L42 L44 W217 I218 I259 W264 L265L42-F221 HydrophobicContact CD2-CD1 3.56Å; L42-F221 HydrophobicContact CD2-CE1 3.71Å; L44-F221 HydrophobicContact CD1-CE1 4.23Å; W217-F221 HydrophobicContact CB-CE1 3.98Å; W217-F221 HydrophobicContact CB-CZ 4.27Å; W217-F221 WeakPolarHBondContact O-CD1 3.36Å; W217-F221 WeakPolarHBondContact O-CE1 3.44Å; I218-F221 HydrophobicContact CG1-CD2 4.35Å; I218-F221 PolarHBondContact O-N 2.87Å; F221-I259 HydrophobicContact CZ-CD1 4.42Å; F221-W264 HydrophobicContact CB-CB 4.37Å; F221-W264 HydrophobicContact CD2-CB 3.74Å; F221-W264 HydrophobicContact CD2-CG 4.13Å; F221-W264 HydrophobicContact CG-CB 4.49Å; F221-L265 HydrophobicContact CD1-CD1 4.34Å; F221-L265 HydrophobicContact CD1-CD2 4.3Å; F221-L265 HydrophobicContact CD2-CD1 4.43Å; F221-L265 HydrophobicContact CD2-CD2 4.5Å; F221-L265 HydrophobicContact CD2-CG 4.27Å; F221-L265 HydrophobicContact CE1-CD1 3.89Å; F221-L265 HydrophobicContact CE2-CD1 3.98Å; F221-L265 HydrophobicContact CE2-CG 4.23Å; F221-L265 HydrophobicContact CG-CD2 4.21Å; F221-L265 HydrophobicContact CG-CG 4.44Å; F221-L265 HydrophobicContact CZ-CD1 3.69Å; F221-L265 HydrophobicContact CZ-CG 4.39Å
222N88.5Confident94.6Very high110 Ų11048.1 Ų48.159%0.58823%0.228SC*.THydrogen-bonded Turntrans-76.5134.1177.7-68.6-18.8000111.8R40 C220 V224R40-N222 PolarHBondContact NE-O 3.31Å; R40-N222 PolarHBondContact NH2-O 3.12Å; C220-N222 VanDerWaalsContact C-N 3.29Å; C220-N222 PolarHBondContact O-N 3.28Å; N222-V224 PolarHBondContact O-N 2.92Å; N222-V224 VanDerWaalsContact O-N 3.17Å
223D88.3Confident94.8Very high102 Ų10241.6 Ų41.655%0.54519%0.193SC..THydrogen-bonded Turntrans53.831.6174.2-55.4-40.2000114.2Y35 R40 T225Y35-D223 HydrophobicContact CE1-CB 4.32Å; Y35-D223 WeakPolarHBondContact CE1-OD2 3.49Å; Y35-D223 WeakPolarHBondContact OH-CB 3.36Å; Y35-D223 PolarHBondContact OH-OD2 2.61Å; R40-D223 WeakPolarHBondContact CB-O 3.39Å; R40-D223 WeakPolarHBondContact CD-O 3.33Å; R40-D223 PolarHBondContact NE-O 3.36Å; D223-T225 PolarHBondContact O-N 3.3Å
224V92.5Very high94.9Very high9 Ų940.4 Ų40.46%0.05519%0.188CC..  trans-67.5127.3176.3179.20000109.4L42 C220 N222 A226 V227 I268L42-V224 HydrophobicContact CB-CG1 3.93Å; L42-V224 HydrophobicContact CB-CG2 4.18Å; L42-V224 HydrophobicContact CD2-CG2 4.07Å; C220-V224 WeakPolarHBondContact O-CG2 3.38Å; N222-V224 PolarHBondContact O-N 2.92Å; N222-V224 VanDerWaalsContact O-N 3.17Å; V224-A226 VanDerWaalsContact CG1-O 3.3Å; V224-A226 WeakPolarHBondContact CG1-O 3.46Å; V224-V227 HydrophobicContact CG1-CG2 4.11Å; V224-I268 HydrophobicContact CG1-CG2 4.04Å; V224-I268 WeakPolarHBondContact O-CD1 3.39Å
225T91.3Very high95.1Very high10 Ų1038.5 Ų38.56%0.06118%0.182CC..SBendtrans-78.7-45.8174.5-52.40000111H39 R40 D223 I366H39-T225 WeakPolarHBondContact CA-OG1 3.23Å; H39-T225 HydrophobicContact CB-CG2 4.26Å; R40-T225 PolarHBondContact N-OG1 2.88Å; R40-T225 WeakPolarHBondContact O-CB 3.22Å; R40-T225 PolarHBondContact O-N 3.42Å; D223-T225 PolarHBondContact O-N 3.3Å; T225-I366 HydrophobicContact CG2-CG2 3.96Å
226A92.8Very high95.3Very high0 Ų027.9 Ų27.90%014%0.142CC..EExtended strand (participates in β ladder)trans-151.4148.9176.500000110.7R40 L41 L42 V224 I271 I366R40-A226 PolarHBondContact O-N 3.4Å; L41-A226 HydrophobicContact CD2-CB 4.12Å; L42-A226 PolarHBondContact N-O 3.17Å; L42-A226 VanDerWaalsContact N-O 3.17Å; V224-A226 VanDerWaalsContact CG1-O 3.3Å; V224-A226 WeakPolarHBondContact CG1-O 3.46Å; A226-I271 HydrophobicContact CB-CD1 4.35Å; A226-I366 HydrophobicContact CB-CG1 4.24Å
227V95.8Very high95.4Very high1 Ų124.9 Ų24.91%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-95.5129.7170.9174.10000108.4L42 L44 V224 I259 L265 I268 S269 V270 I271L42-V227 WeakPolarHBondContact O-CA 3.41Å; L44-V227 HydrophobicContact CB-CG1 4.28Å; L44-V227 HydrophobicContact CD1-CG1 3.84Å; L44-V227 HydrophobicContact CG-CG1 4.08Å; V224-V227 HydrophobicContact CG1-CG2 4.11Å; V227-I259 HydrophobicContact CG1-CG2 4.41Å; V227-L265 HydrophobicContact CG2-CD1 4.19Å; V227-L265 HydrophobicContact CG2-CD2 4.15Å; V227-I268 HydrophobicContact CG2-CG2 4.06Å; V227-S269 PolarHBondContact N-O 2.85Å; V227-V270 HydrophobicContact CB-CG2 4.34Å; V227-V270 HydrophobicContact CG1-CG1 4.33Å; V227-V270 CarbonylContact O-C 3.57Å; V227-V270 WeakPolarHBondContact O-CA 3.47Å; V227-I271 PolarHBondContact O-N 3.22Å
228I97.4Very high95.4Very high1 Ų124.9 Ų24.91%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-100103.9166.6-62.2168.2000106.9L41 L42 L43 L44 M204 V230 I271 F273L41-I228 HydrophobicContact CB-CD1 4.39Å; L41-I228 HydrophobicContact CD1-CD1 4.17Å; L42-I228 PolarHBondContact O-N 2.75Å; L43-I228 CarbonylContact C-O 3.34Å; L43-I228 WeakPolarHBondContact CA-O 3.27Å; L43-I228 HydrophobicContact CG-CB 4.39Å; L44-I228 PolarHBondContact N-O 3.48Å; M204-I228 HydrophobicContact CE-CD1 4.44Å; I228-V230 HydrophobicContact CG2-CG2 4.01Å; I228-I271 CarbonylContact C-O 3.55Å; I228-I271 WeakPolarHBondContact CA-O 3.42Å; I228-I271 HydrophobicContact CG1-CB 4.24Å; I228-I271 HydrophobicContact CG1-CD1 4.35Å; I228-F273 HydrophobicContact CG2-CD1 4.25Å; I228-F273 HydrophobicContact CG2-CD2 3.8Å; I228-F273 HydrophobicContact CG2-CE1 4.36Å; I228-F273 HydrophobicContact CG2-CE2 3.9Å; I228-F273 HydrophobicContact CG2-CG 3.97Å; I228-F273 HydrophobicContact CG2-CZ 4.18Å
229F98.5Very high95.6Very high0 Ų022.5 Ų22.50%012%0.119CC..EExtended strand (participates in β ladder)trans-89.8121.1176-170-84.7000109.9L44 C231 S252 L255 F256 I259 V270 I271 L272 F273 F328L44-F229 HydrophobicContact CB-CD2 4.16Å; L44-F229 CarbonylContact O-C 3.59Å; L44-F229 WeakPolarHBondContact O-CA 3.12Å; F229-C231 HydrophobicContact CE1-CB 4.33Å; F229-S252 WeakPolarHBondContact CZ-O 3.47Å; F229-L255 HydrophobicContact CE2-CD2 4.19Å; F229-L255 HydrophobicContact CE2-CG 3.94Å; F229-L255 HydrophobicContact CZ-CB 4.28Å; F229-L255 HydrophobicContact CZ-CD2 4.09Å; F229-L255 HydrophobicContact CZ-CG 4.04Å; F229-F256 HydrophobicContact CB-CD2 4.15Å; F229-F256 HydrophobicContact CB-CE2 4.36Å; F229-F256 HydrophobicContact CD1-CB 4.41Å; F229-F256 AromaticContact CD1-CD2 3.68Å; F229-F256 HydrophobicContact CD1-CD2 3.68Å; F229-F256 HydrophobicContact CD2-CD2 4.01Å; F229-F256 HydrophobicContact CE1-CB 3.87Å; F229-F256 HydrophobicContact CE1-CD2 4.03Å; F229-F256 HydrophobicContact CE1-CG 4.43Å; F229-F256 HydrophobicContact CE2-CB 4.07Å; F229-F256 HydrophobicContact CE2-CD2 4.32Å; F229-F256 AromaticContact CG-CD2 3.67Å; F229-F256 HydrophobicContact CG-CD2 3.67Å; F229-F256 HydrophobicContact CG-CE2 4.36Å; F229-F256 HydrophobicContact CZ-CB 3.68Å; F229-F256 HydrophobicContact CZ-CD2 4.33Å; F229-I259 HydrophobicContact CD2-CG1 4.5Å; F229-I259 HydrophobicContact CE2-CG1 4.3Å; F229-V270 HydrophobicContact CB-CG1 3.69Å; F229-I271 PolarHBondContact N-O 3.38Å; F229-L272 HydrophobicContact CB-CD1 4.45Å; F229-L272 HydrophobicContact CD1-CD1 3.76Å; F229-L272 CarbonylContact O-C 3.51Å; F229-F273 PolarHBondContact O-N 3.47Å; F229-F328 HydrophobicContact CD1-CE1 4.47Å; F229-F328 AromaticContact CE1-CE1 3.93Å; F229-F328 HydrophobicContact CE1-CE1 3.93Å
230V98.8Very high95.7Very high0 Ų016.4 Ų16.40%09%0.091CC..EExtended strand (participates in β ladder)trans-109.4122.4-175.9-168.30000109.8L43 L44 S49 K51 I54 I228 F273 N275L43-V230 HydrophobicContact CD2-CG2 4.41Å; L44-V230 PolarHBondContact O-N 3.4Å; S49-V230 WeakPolarHBondContact CB-O 3.41Å; S49-V230 VanDerWaalsContact O-CG1 3.3Å; S49-V230 WeakPolarHBondContact O-CG1 3.3Å; S49-V230 PolarHBondContact OG-O 3.2Å; K51-V230 HydrophobicContact CG-CB 3.95Å; K51-V230 HydrophobicContact CG-CG2 3.84Å; I54-V230 HydrophobicContact CD1-CB 4.36Å; I54-V230 HydrophobicContact CD1-CG1 3.87Å; I54-V230 HydrophobicContact CD1-CG2 3.5Å; I54-V230 VanDerWaalsContact CD1-CG2 3.5Å; I228-V230 HydrophobicContact CG2-CG2 4.01Å; V230-F273 HydrophobicContact CB-CB 4.5Å; V230-F273 HydrophobicContact CG1-CB 4.29Å; V230-F273 HydrophobicContact CG2-CB 4.31Å; V230-N275 HydrophobicContact CG1-CB 3.86Å
231C98.7Very high95.6Very high0 Ų021.3 Ų21.30%012%0.115CC..EExtended strand (participates in β ladder)trans-116.2133.9176.81750000110.2F229 S233 L249 S252 F273 L274 N275 F328F229-C231 HydrophobicContact CE1-CB 4.33Å; C231-S233 PolarHBondContact O-N 3.26Å; C231-L249 VanDerWaalsContact SG-CD1 3.51Å; C231-S252 WeakPolarHBondContact CB-OG 3.29Å; C231-S252 PolarHBondContact SG-OG 3.11Å; C231-F273 PolarHBondContact N-O 3.1Å; C231-L274 HydrophobicContact CB-CD2 4.44Å; C231-N275 WeakPolarHBondContact O-CA 3.44Å; C231-N275 WeakPolarHBondContact O-CB 3.45Å; C231-N275 PolarHBondContact O-N 3.02Å; C231-F328 HydrophobicContact CB-CE1 4.42Å; C231-F328 HydrophobicContact CB-CE2 4.28Å; C231-F328 HydrophobicContact CB-CZ 3.82Å; C231-F328 WeakPolarHBondContact SG-CZ 3.22Å
232A98.5Very high95.7Very high8 Ų824 Ų247%0.06613%0.128CC..EExtended strand (participates in β ladder)trans-81.798.8168.400000109.9S234 S235 K276A232-S234 PolarHBondContact O-N 3.43Å; A232-S235 WeakPolarHBondContact O-CB 3.28Å; A232-S235 PolarHBondContact O-N 2.81Å; A232-S235 VanDerWaalsContact O-N 3.1Å; A232-S235 PolarHBondContact O-OG 3.46Å; A232-K276 HydrophobicContact CB-CD 3.83Å; A232-K276 HydrophobicContact CB-CG 4.32Å
233S98.7Very high96Very high0 Ų020.9 Ų20.90%011%0.111CC..G310 helixtrans-61.7-30.7-179.6-62.30000112.7C231 S235 N275 Q277 I324C231-S233 PolarHBondContact O-N 3.26Å; S233-S235 PolarHBondContact O-N 3.05Å; S233-N275 PolarHBondContact N-O 3.44Å; S233-Q277 PolarHBondContact OG-NE2 3.4Å; S233-I324 WeakPolarHBondContact O-CD1 3.47Å
234S98.1Very high96.3Very high1 Ų123.7 Ų23.71%0.00712%0.118CC..G310 helixtrans-70.6-5.317766.50000114.7A232 Y236 K283A232-S234 PolarHBondContact O-N 3.43Å; S234-Y236 VanDerWaalsContact C-N 3.27Å; S234-Y236 PolarHBondContact O-N 2.94Å; S234-K283 WeakPolarHBondContact O-CD 3.4Å; S234-K283 PolarHBondContact O-NZ 3.45Å
235S97.9Very high96.5Very high8 Ų829.1 Ų29.16%0.05615%0.152CC..G310 helixtrans-85.47.4-175.470.70000114.6A232 S233 N237 M238A232-S235 WeakPolarHBondContact O-CB 3.28Å; A232-S235 PolarHBondContact O-N 2.81Å; A232-S235 VanDerWaalsContact O-N 3.1Å; A232-S235 PolarHBondContact O-OG 3.46Å; S233-S235 PolarHBondContact O-N 3.05Å; S235-N237 PolarHBondContact O-N 2.76Å; S235-N237 VanDerWaalsContact O-N 3.14Å; S235-M238 PolarHBondContact O-N 3.08Å; S235-M238 VanDerWaalsContact O-N 3.08Å
236Y98.3Very high96.7Very high0 Ų030.1 Ų30.10%016%0.158CC..G310 helixtrans-58.2-27.2-176.171.5-95.8000114.4S234 N247 L280 K283 I284 H289 L291 Y294S234-Y236 VanDerWaalsContact C-N 3.27Å; S234-Y236 PolarHBondContact O-N 2.94Å; Y236-N247 PolarHBondContact O-ND2 2.9Å; Y236-L280 HydrophobicContact CD1-CD1 3.9Å; Y236-L280 HydrophobicContact CE1-CD1 3.86Å; Y236-K283 HydrophobicContact CE1-CB 4Å; Y236-K283 HydrophobicContact CE1-CD 3.97Å; Y236-K283 WeakPolarHBondContact OH-CB 3.17Å; Y236-I284 HydrophobicContact CE1-CD1 4.37Å; Y236-H289 WeakPolarHBondContact CE2-O 3.42Å; Y236-H289 PolarHBondContact OH-O 3.35Å; Y236-L291 HydrophobicContact CD1-CD1 4.18Å; Y236-L291 HydrophobicContact CD2-CB 4.37Å; Y236-L291 HydrophobicContact CD2-CD1 3.45Å; Y236-L291 VanDerWaalsContact CD2-CD1 3.45Å; Y236-L291 HydrophobicContact CE2-CB 4.29Å; Y236-L291 HydrophobicContact CE2-CD1 4.16Å; Y236-L291 HydrophobicContact CG-CD1 3.45Å; Y236-L291 VanDerWaalsContact CG-CD1 3.45Å; Y236-Y294 HydrophobicContact CD2-CD2 4.07Å; Y236-Y294 HydrophobicContact CE2-CD2 4.31Å; Y236-Y294 WeakPolarHBondContact O-CB 3.4Å
237N97.4Very high97Very high5 Ų531.2 Ų31.23%0.02716%0.163CC..G310 helixtrans-105.919.6179.969-25000113.5N150 S235 K283 H289 Y294N150-N237 WeakPolarHBondContact CB-ND2 3.42Å; S235-N237 PolarHBondContact O-N 2.76Å; S235-N237 VanDerWaalsContact O-N 3.14Å; N237-K283 PolarHBondContact OD1-NZ 2.87Å; N237-H289 HydrophobicContact CB-CB 4.18Å; N237-H289 WeakPolarHBondContact ND2-CB 3.49Å; N237-Y294 HydrophobicContact CB-CD1 4.5Å; N237-Y294 HydrophobicContact CB-CD2 4.05Å; N237-Y294 HydrophobicContact CB-CE1 4.02Å; N237-Y294 HydrophobicContact CB-CE2 3.53Å
238M97.3Very high97.1Very high9 Ų932.2 Ų32.24%0.04417%0.167CC..  trans-122.5156.1-176.3-61.4179.476.500111.7S235 N247 R248S235-M238 PolarHBondContact O-N 3.08Å; S235-M238 VanDerWaalsContact O-N 3.08Å; M238-N247 WeakPolarHBondContact O-CA 3.29Å; M238-R248 HydrophobicContact CB-CB 4.49Å; M238-R248 HydrophobicContact CB-CG 4.02Å; M238-R248 PolarHBondContact O-N 3.38Å
239V97.2Very high97.2Very high44 Ų4432.2 Ų32.227%0.26717%0.167SC..BIsolated β-bridgetrans-108.5156.8172.8-600000112.1Q153 K244 V246 R248Q153-V239 PolarHBondContact NE2-O 2.98Å; V239-K244 WeakPolarHBondContact CG1-O 3.43Å; V239-K244 HydrophobicContact CG2-CB 4.35Å; V239-V246 CarbonylContact C-O 3.57Å; V239-V246 WeakPolarHBondContact CA-O 3.4Å; V239-V246 WeakPolarHBondContact CB-O 3.19Å; V239-R248 WeakPolarHBondContact O-CG 3.18Å; V239-R248 PolarHBondContact O-NE 3.2Å
240L95.7Very high97.2Very high10 Ų1037.9 Ų37.95%0.05219%0.188CC..  trans-63.6148.7178-64.2172.9000111.2E242 D243 V246 R248 E251L240-E242 VanDerWaalsContact C-N 3.32Å; L240-D243 HydrophobicContact CB-CB 4.39Å; L240-D243 HydrophobicContact CD1-CB 4.47Å; L240-D243 CarbonylContact O-C 3.44Å; L240-D243 PolarHBondContact O-N 3.08Å; L240-V246 HydrophobicContact CD1-CB 3.9Å; L240-V246 HydrophobicContact CD1-CG1 3.65Å; L240-V246 HydrophobicContact CG-CB 4.36Å; L240-V246 HydrophobicContact CG-CG1 4.21Å; L240-V246 PolarHBondContact N-O 3.23Å; L240-R248 HydrophobicContact CD2-CB 4.44Å; L240-R248 HydrophobicContact CD2-CG 3.95Å; L240-R248 HydrophobicContact CG-CG 4.41Å; L240-E251 HydrophobicContact CD1-CB 3.9Å; L240-E251 HydrophobicContact CD1-CG 3.63Å; L240-E251 HydrophobicContact CD2-CB 4.12Å; L240-E251 HydrophobicContact CD2-CG 3.89Å; L240-E251 HydrophobicContact CG-CB 4.26Å; L240-E251 HydrophobicContact CG-CG 4.26Å
241M93.1Very high97.1Very high108 Ų10838.5 Ų38.553%0.53219%0.191SC..SBendtrans-68.5-38.9172.3-175.5179.9-68.400110.3Q153 D243Q153-M241 HydrophobicContact CB-CE 4.22Å; Q153-M241 HydrophobicContact CG-CG 4.44Å; M241-D243 VanDerWaalsContact C-N 3.28Å; M241-D243 PolarHBondContact O-N 3.14Å
242E94.3Very high97.1Very high79 Ų7938.7 Ų38.737%0.36919%0.193SC..SBendtrans-73.6-18.9179.8-54.897.2133.800113.1Q210 R211 L240Q210-E242 VanDerWaalsContact CA-OE1 3.24Å; Q210-E242 WeakPolarHBondContact CA-OE1 3.47Å; Q210-E242 WeakPolarHBondContact CB-OE1 3.48Å; R211-E242 PolarHBondContact N-OE1 3.24Å; R211-E242 VanDerWaalsContact N-OE1 3.16Å; L240-E242 VanDerWaalsContact C-N 3.32Å
243D95.2Very high97.1Very high43 Ų4339.2 Ų39.223%0.2319%0.194CC..  trans-157.798.1-175.7-171.5-18.2000111R211 L240 M241 T245 V246R211-D243 IonicContact CZ-OD2 2.74Å; R211-D243 VanDerWaalsContact NH1-CB 3.35Å; R211-D243 IonicContact NH1-OD2 3.67Å; R211-D243 PolarHBondContact NH1-OD2 3.36Å; R211-D243 IonicContact NH2-OD2 3.66Å; L240-D243 HydrophobicContact CB-CB 4.39Å; L240-D243 HydrophobicContact CD1-CB 4.47Å; L240-D243 CarbonylContact O-C 3.44Å; L240-D243 PolarHBondContact O-N 3.08Å; M241-D243 VanDerWaalsContact C-N 3.28Å; M241-D243 PolarHBondContact O-N 3.14Å; D243-T245 PolarHBondContact O-N 3.35Å; D243-T245 WeakPolarHBondContact OD1-CB 3.28Å; D243-T245 PolarHBondContact OD1-N 3.02Å; D243-T245 PolarHBondContact OD1-OG1 2.81Å; D243-V246 HydrophobicContact CB-CB 4.33Å; D243-V246 HydrophobicContact CB-CG2 4.21Å; D243-V246 PolarHBondContact O-N 2.95Å; D243-V246 VanDerWaalsContact O-N 3.11Å; D243-V246 VanDerWaalsContact OD2-CG2 3.25Å; D243-V246 WeakPolarHBondContact OD2-CG2 3.49Å
244K94.4Very high97.1Very high161 Ų16144 Ų4470%0.722%0.22SC*.THydrogen-bonded Turntrans-66.8-7.3-176.6-60.2-173.3-178.9-175.40113.6V239V239-K244 WeakPolarHBondContact CG1-O 3.43Å; V239-K244 HydrophobicContact CG2-CB 4.35Å
245T96.1Very high97.1Very high124 Ų12444.4 Ų44.476%0.76122%0.222SC*.THydrogen-bonded Turntrans-91.5-12.1177.672.70000112.8D243D243-T245 PolarHBondContact O-N 3.35Å; D243-T245 WeakPolarHBondContact OD1-CB 3.28Å; D243-T245 PolarHBondContact OD1-N 3.02Å; D243-T245 PolarHBondContact OD1-OG1 2.81Å
246V97.5Very high97.1Very high31 Ų3144 Ų4419%0.18822%0.219CC..SBendtrans-107.5122.6-172.5176.30000110.9V239 L240 D243 E251V239-V246 CarbonylContact C-O 3.57Å; V239-V246 WeakPolarHBondContact CA-O 3.4Å; V239-V246 WeakPolarHBondContact CB-O 3.19Å; L240-V246 HydrophobicContact CD1-CB 3.9Å; L240-V246 HydrophobicContact CD1-CG1 3.65Å; L240-V246 HydrophobicContact CG-CB 4.36Å; L240-V246 HydrophobicContact CG-CG1 4.21Å; L240-V246 PolarHBondContact N-O 3.23Å; D243-V246 HydrophobicContact CB-CB 4.33Å; D243-V246 HydrophobicContact CB-CG2 4.21Å; D243-V246 PolarHBondContact O-N 2.95Å; D243-V246 VanDerWaalsContact O-N 3.11Å; D243-V246 VanDerWaalsContact OD2-CG2 3.25Å; D243-V246 WeakPolarHBondContact OD2-CG2 3.49Å; V246-E251 HydrophobicContact CG1-CB 3.93Å
247N98.2Very high97Very high22 Ų2249.4 Ų49.412%0.11824%0.243CC..BIsolated β-bridgetrans-64.4131.7172.5-179.6-81.8000111.3Y236 M238 L249 R250 E251Y236-N247 PolarHBondContact O-ND2 2.9Å; M238-N247 WeakPolarHBondContact O-CA 3.29Å; N247-L249 PolarHBondContact O-N 3.02Å; N247-L249 PolarHBondContact OD1-N 3.11Å; N247-R250 HydrophobicContact CB-CB 4.1Å; N247-R250 HydrophobicContact CB-CG 4.01Å; N247-R250 PolarHBondContact O-N 2.87Å; N247-R250 PolarHBondContact OD1-N 3.09Å; N247-R250 VanDerWaalsContact OD1-N 3.07Å; N247-E251 PolarHBondContact O-N 3.39Å
248R98.1Very high97Very high22 Ų2252.7 Ų52.78%0.08327%0.266CS..Hα-helixtrans-63.4-38-175.1-68.4-166.5175.4-164-9.4113.4E48 M238 V239 L240 S252E48-R248 IonicContact OE2-CZ 3.94Å; E48-R248 IonicContact OE2-NH1 2.65Å; E48-R248 PolarHBondContact OE2-NH1 3.03Å; E48-R248 IonicContact OE2-NH2 2.72Å; E48-R248 PolarHBondContact OE2-NH2 3.37Å; M238-R248 HydrophobicContact CB-CB 4.49Å; M238-R248 HydrophobicContact CB-CG 4.02Å; M238-R248 PolarHBondContact O-N 3.38Å; V239-R248 WeakPolarHBondContact O-CG 3.18Å; V239-R248 PolarHBondContact O-NE 3.2Å; L240-R248 HydrophobicContact CD2-CB 4.44Å; L240-R248 HydrophobicContact CD2-CG 3.95Å; L240-R248 HydrophobicContact CG-CG 4.41Å; R248-S252 PolarHBondContact O-N 2.86Å
249L98.5Very high96.9Very high2 Ų252.6 Ų52.61%0.0127%0.265CS..Hα-helixtrans-73.3-37.7178.9-178.659000111.2C231 N247 S252 L253 F295 I324 F328C231-L249 VanDerWaalsContact SG-CD1 3.51Å; N247-L249 PolarHBondContact O-N 3.02Å; N247-L249 PolarHBondContact OD1-N 3.11Å; L249-S252 VanDerWaalsContact O-CB 3.31Å; L249-S252 WeakPolarHBondContact O-CB 3.45Å; L249-S252 PolarHBondContact O-N 3.23Å; L249-S252 VanDerWaalsContact O-N 3.16Å; L249-L253 PolarHBondContact O-N 3.43Å; L249-F295 HydrophobicContact CB-CE2 4.1Å; L249-F295 HydrophobicContact CB-CZ 3.78Å; L249-F295 HydrophobicContact CD2-CE1 4.4Å; L249-F295 HydrophobicContact CD2-CE2 3.79Å; L249-F295 HydrophobicContact CD2-CZ 3.69Å; L249-F295 HydrophobicContact CG-CE1 4.47Å; L249-F295 HydrophobicContact CG-CE2 4.21Å; L249-F295 HydrophobicContact CG-CZ 3.71Å; L249-I324 HydrophobicContact CD1-CG2 4.14Å; L249-I324 HydrophobicContact CD2-CD1 4.06Å; L249-I324 HydrophobicContact CD2-CG1 4.04Å; L249-I324 HydrophobicContact CD2-CG2 4.3Å; L249-F328 HydrophobicContact CD1-CE2 4.17Å; L249-F328 HydrophobicContact CD1-CZ 4.47Å
250R98.4Very high96.7Very high118 Ų11850.8 Ų50.845%0.44525%0.254SS..Hα-helixtrans-63.2-43.8172-65.1-167.2-176.4-166.90.9112.3N247 S252 L253 D254 Y294 F295N247-R250 HydrophobicContact CB-CB 4.1Å; N247-R250 HydrophobicContact CB-CG 4.01Å; N247-R250 PolarHBondContact O-N 2.87Å; N247-R250 PolarHBondContact OD1-N 3.09Å; N247-R250 VanDerWaalsContact OD1-N 3.07Å; R250-S252 PolarHBondContact O-N 3.34Å; R250-L253 WeakPolarHBondContact O-CB 3.36Å; R250-L253 PolarHBondContact O-N 2.97Å; R250-L253 VanDerWaalsContact O-N 3.09Å; R250-D254 PolarHBondContact O-N 3.36Å; R250-Y294 PolarHBondContact NH2-O 3.28Å; R250-F295 HydrophobicContact CG-CE1 3.82Å; R250-F295 HydrophobicContact CG-CZ 3.62Å
251E98.2Very high96.6Very high14 Ų1454.7 Ų54.77%0.06528%0.275CS..Hα-helixtrans-56.1-40.7171.6173.774.9-179.300111.5R211 R214 L240 V246 N247 L253 D254 L255R211-E251 IonicContact CZ-OE1 3.97Å; R211-E251 IonicContact CZ-OE2 2.68Å; R211-E251 IonicContact NE-OE1 3.06Å; R211-E251 PolarHBondContact NE-OE1 2.85Å; R211-E251 IonicContact NE-OE2 3.99Å; R211-E251 IonicContact NH2-OE1 3.75Å; R211-E251 IonicContact NH2-OE2 3.74Å; R211-E251 PolarHBondContact NH2-OE2 3.4Å; R214-E251 IonicContact CZ-OE1 2.8Å; R214-E251 IonicContact NH1-OE1 3.16Å; R214-E251 PolarHBondContact NH1-OE1 3.09Å; R214-E251 IonicContact NH2-OE1 2.75Å; R214-E251 PolarHBondContact NH2-OE1 3.08Å; L240-E251 HydrophobicContact CD1-CB 3.9Å; L240-E251 HydrophobicContact CD1-CG 3.63Å; L240-E251 HydrophobicContact CD2-CB 4.12Å; L240-E251 HydrophobicContact CD2-CG 3.89Å; L240-E251 HydrophobicContact CG-CB 4.26Å; L240-E251 HydrophobicContact CG-CG 4.26Å; V246-E251 HydrophobicContact CG1-CB 3.93Å; N247-E251 PolarHBondContact O-N 3.39Å; E251-L253 VanDerWaalsContact C-N 3.35Å; E251-D254 PolarHBondContact O-N 3.31Å; E251-L255 WeakPolarHBondContact O-CB 3.43Å; E251-L255 PolarHBondContact O-N 2.79Å
252S98.6Very high96.6Very high4 Ų451.2 Ų51.23%0.02826%0.258CS..Hα-helixtrans-63.9-39.6177.6-164.50000112F229 C231 R248 L249 R250 F256F229-S252 WeakPolarHBondContact CZ-O 3.47Å; C231-S252 WeakPolarHBondContact CB-OG 3.29Å; C231-S252 PolarHBondContact SG-OG 3.11Å; R248-S252 PolarHBondContact O-N 2.86Å; L249-S252 VanDerWaalsContact O-CB 3.31Å; L249-S252 WeakPolarHBondContact O-CB 3.45Å; L249-S252 PolarHBondContact O-N 3.23Å; L249-S252 VanDerWaalsContact O-N 3.16Å; R250-S252 PolarHBondContact O-N 3.34Å; S252-F256 WeakPolarHBondContact O-CB 3.17Å; S252-F256 PolarHBondContact O-N 3.33Å
253L98.6Very high96.5Very high18 Ų1856.7 Ų56.79%0.09428%0.276CS..Hα-helixtrans-64.4-47.2174-71.1165.6000111.6L249 R250 E251 L255 F256 K257 F295 E327 F328 I331L249-L253 PolarHBondContact O-N 3.43Å; R250-L253 WeakPolarHBondContact O-CB 3.36Å; R250-L253 PolarHBondContact O-N 2.97Å; R250-L253 VanDerWaalsContact O-N 3.09Å; E251-L253 VanDerWaalsContact C-N 3.35Å; L253-L255 VanDerWaalsContact C-N 3.33Å; L253-L255 PolarHBondContact O-N 3.22Å; L253-F256 PolarHBondContact O-N 3.33Å; L253-K257 WeakPolarHBondContact O-CB 3.01Å; L253-K257 PolarHBondContact O-N 3.46Å; L253-F295 HydrophobicContact CD1-CE1 4.13Å; L253-E327 HydrophobicContact CD1-CB 4.08Å; L253-E327 HydrophobicContact CD2-CB 3.69Å; L253-F328 HydrophobicContact CD2-CD1 3.95Å; L253-F328 HydrophobicContact CD2-CD2 3.61Å; L253-F328 HydrophobicContact CD2-CE1 3.92Å; L253-F328 HydrophobicContact CD2-CE2 3.58Å; L253-F328 HydrophobicContact CD2-CG 3.78Å; L253-F328 HydrophobicContact CD2-CZ 3.71Å; L253-F328 HydrophobicContact CG-CE2 4.18Å; L253-F328 HydrophobicContact CG-CZ 4.07Å; L253-I331 HydrophobicContact CB-CD1 4.19Å; L253-I331 HydrophobicContact CD2-CD1 3.92Å; L253-I331 WeakPolarHBondContact O-CD1 3.2Å
254D98.2Very high96.4Very high100 Ų10061.3 Ų61.354%0.53529%0.29SS..Hα-helixtrans-62.7-41.7177.8-74.3-29.8000111.8R250 E251 K257 S258R250-D254 PolarHBondContact O-N 3.36Å; E251-D254 PolarHBondContact O-N 3.31Å; D254-K257 PolarHBondContact O-N 3.44Å; D254-S258 PolarHBondContact O-N 3.35Å
255L97.9Very high96.3Very high11 Ų1153.8 Ų53.86%0.05826%0.257CS..Hα-helixtrans-63.4-44.5175.1-179.760.7000111.5A46 W217 F229 E251 L253 K257 S258 I259A46-L255 HydrophobicContact CB-CD2 4.28Å; W217-L255 HydrophobicContact CH2-CD1 3.8Å; W217-L255 HydrophobicContact CH2-CD2 3.85Å; W217-L255 HydrophobicContact CH2-CG 4.26Å; W217-L255 HydrophobicContact CZ3-CD1 3.69Å; W217-L255 HydrophobicContact CZ3-CD2 4.49Å; W217-L255 HydrophobicContact CZ3-CG 4.41Å; F229-L255 HydrophobicContact CE2-CD2 4.19Å; F229-L255 HydrophobicContact CE2-CG 3.94Å; F229-L255 HydrophobicContact CZ-CB 4.28Å; F229-L255 HydrophobicContact CZ-CD2 4.09Å; F229-L255 HydrophobicContact CZ-CG 4.04Å; E251-L255 WeakPolarHBondContact O-CB 3.43Å; E251-L255 PolarHBondContact O-N 2.79Å; L253-L255 VanDerWaalsContact C-N 3.33Å; L253-L255 PolarHBondContact O-N 3.22Å; L255-K257 VanDerWaalsContact C-N 3.35Å; L255-K257 PolarHBondContact O-N 2.7Å; L255-S258 WeakPolarHBondContact O-CB 3.25Å; L255-S258 PolarHBondContact O-N 2.86Å; L255-I259 WeakPolarHBondContact O-CG1 3.42Å; L255-I259 PolarHBondContact O-N 3.01Å
256F98Very high95.9Very high0 Ų054 Ų540%025%0.248CC..Hα-helixtrans-60.8-44.6175.3179.9-97.8000111.4F229 S252 L253 S258 I259 W260 V270 L272 F328 I331F229-F256 HydrophobicContact CB-CD2 4.15Å; F229-F256 HydrophobicContact CB-CE2 4.36Å; F229-F256 HydrophobicContact CD1-CB 4.41Å; F229-F256 AromaticContact CD1-CD2 3.68Å; F229-F256 HydrophobicContact CD1-CD2 3.68Å; F229-F256 HydrophobicContact CD2-CD2 4.01Å; F229-F256 HydrophobicContact CE1-CB 3.87Å; F229-F256 HydrophobicContact CE1-CD2 4.03Å; F229-F256 HydrophobicContact CE1-CG 4.43Å; F229-F256 HydrophobicContact CE2-CB 4.07Å; F229-F256 HydrophobicContact CE2-CD2 4.32Å; F229-F256 AromaticContact CG-CD2 3.67Å; F229-F256 HydrophobicContact CG-CD2 3.67Å; F229-F256 HydrophobicContact CG-CE2 4.36Å; F229-F256 HydrophobicContact CZ-CB 3.68Å; F229-F256 HydrophobicContact CZ-CD2 4.33Å; S252-F256 WeakPolarHBondContact O-CB 3.17Å; S252-F256 PolarHBondContact O-N 3.33Å; L253-F256 PolarHBondContact O-N 3.33Å; F256-S258 VanDerWaalsContact C-N 3.29Å; F256-S258 PolarHBondContact O-N 3.1Å; F256-I259 PolarHBondContact O-N 2.74Å; F256-I259 VanDerWaalsContact O-N 3.16Å; F256-W260 HydrophobicContact CE1-CE3 4.3Å; F256-W260 AromaticContact CZ-CE3 3.9Å; F256-W260 HydrophobicContact CZ-CE3 3.9Å; F256-W260 HydrophobicContact CZ-CZ3 4.44Å; F256-W260 VanDerWaalsContact O-CB 3.3Å; F256-W260 WeakPolarHBondContact O-CB 3.36Å; F256-W260 PolarHBondContact O-N 2.98Å; F256-V270 HydrophobicContact CE2-CG1 3.8Å; F256-L272 HydrophobicContact CD2-CD1 4.38Å; F256-L272 HydrophobicContact CE2-CD1 4.25Å; F256-F328 HydrophobicContact CB-CD1 3.77Å; F256-F328 HydrophobicContact CB-CE1 3.6Å; F256-F328 AromaticContact CD1-CD1 3.71Å; F256-F328 HydrophobicContact CD1-CD1 3.71Å; F256-F328 HydrophobicContact CD1-CE1 4.43Å; F256-F328 AromaticContact CD2-CD1 3.89Å; F256-F328 HydrophobicContact CD2-CD1 3.89Å; F256-F328 HydrophobicContact CD2-CE1 4.27Å; F256-F328 HydrophobicContact CE1-CD1 4.25Å; F256-F328 HydrophobicContact CE2-CD1 4.39Å; F256-F328 AromaticContact CG-CD1 3.51Å; F256-F328 HydrophobicContact CG-CD1 3.51Å; F256-F328 AromaticContact CG-CE1 3.88Å; F256-F328 HydrophobicContact CG-CE1 3.88Å; F256-I331 HydrophobicContact CD1-CB 4.08Å; F256-I331 HydrophobicContact CD1-CD1 4.04Å; F256-I331 HydrophobicContact CD1-CG2 3.85Å; F256-I331 HydrophobicContact CE1-CB 4.13Å; F256-I331 HydrophobicContact CE1-CG2 4.02Å
257K96.9Very high95.3Very high113 Ų11356.4 Ų56.449%0.49126%0.263SS..Hα-helixtrans-58.5-40174.3-172.4177-178.9177.10112.2L253 D254 L255 N261 I331L253-K257 WeakPolarHBondContact O-CB 3.01Å; L253-K257 PolarHBondContact O-N 3.46Å; D254-K257 PolarHBondContact O-N 3.44Å; L255-K257 VanDerWaalsContact C-N 3.35Å; L255-K257 PolarHBondContact O-N 2.7Å; K257-N261 WeakPolarHBondContact O-CB 3.44Å; K257-N261 PolarHBondContact O-N 3.22Å; K257-N261 VanDerWaalsContact O-N 3.11Å; K257-N261 PolarHBondContact O-ND2 3.41Å; K257-I331 HydrophobicContact CB-CD1 4.27Å; K257-I331 HydrophobicContact CB-CG2 3.86Å; K257-I331 HydrophobicContact CG-CG2 3.98Å
258S95.9Very high94.9Very high74 Ų7456.2 Ų56.252%0.51726%0.262SS..Hα-helixtrans-64.4-42.2175.6-175.30000112.3D254 L255 F256 N262D254-S258 PolarHBondContact O-N 3.35Å; L255-S258 WeakPolarHBondContact O-CB 3.25Å; L255-S258 PolarHBondContact O-N 2.86Å; F256-S258 VanDerWaalsContact C-N 3.29Å; F256-S258 PolarHBondContact O-N 3.1Å; S258-N262 WeakPolarHBondContact O-CB 3.23Å; S258-N262 PolarHBondContact O-N 3.08Å; S258-N262 VanDerWaalsContact O-N 3.17Å
259I95.1Very high94.5Very high6 Ų655.5 Ų55.53%0.03126%0.26CS..Hα-helixtrans-68.7-45.8177.5-68.2-52.4000111.8L44 W217 F221 V227 F229 L255 F256 N261 N262 L265L44-I259 HydrophobicContact CD1-CD1 3.69Å; L44-I259 HydrophobicContact CD1-CG1 4.04Å; L44-I259 HydrophobicContact CD1-CG2 3.99Å; W217-I259 HydrophobicContact CE3-CD1 4.05Å; W217-I259 HydrophobicContact CZ3-CD1 3.93Å; W217-I259 HydrophobicContact CZ3-CG1 4.33Å; F221-I259 HydrophobicContact CZ-CD1 4.42Å; V227-I259 HydrophobicContact CG1-CG2 4.41Å; F229-I259 HydrophobicContact CD2-CG1 4.5Å; F229-I259 HydrophobicContact CE2-CG1 4.3Å; L255-I259 WeakPolarHBondContact O-CG1 3.42Å; L255-I259 PolarHBondContact O-N 3.01Å; F256-I259 PolarHBondContact O-N 2.74Å; F256-I259 VanDerWaalsContact O-N 3.16Å; I259-N261 VanDerWaalsContact C-N 3.29Å; I259-N261 PolarHBondContact O-N 3.09Å; I259-N262 WeakPolarHBondContact O-CB 3.47Å; I259-N262 PolarHBondContact O-N 3.07Å; I259-L265 HydrophobicContact CD1-CD1 4.44Å; I259-L265 HydrophobicContact CG2-CD1 3.97Å
260W94.9Very high94.4Very high7 Ų755.5 Ų55.53%0.02726%0.26CS..Hα-helixtrans-57.1-42.9178.1-171.9-97.9000112F256 N262 V270 S332 H340 C342F256-W260 HydrophobicContact CE1-CE3 4.3Å; F256-W260 AromaticContact CZ-CE3 3.9Å; F256-W260 HydrophobicContact CZ-CE3 3.9Å; F256-W260 HydrophobicContact CZ-CZ3 4.44Å; F256-W260 VanDerWaalsContact O-CB 3.3Å; F256-W260 WeakPolarHBondContact O-CB 3.36Å; F256-W260 PolarHBondContact O-N 2.98Å; W260-N262 VanDerWaalsContact C-N 3.31Å; W260-N262 PolarHBondContact O-N 3.3Å; W260-V270 HydrophobicContact CE3-CB 4.39Å; W260-V270 HydrophobicContact CE3-CG2 3.91Å; W260-V270 HydrophobicContact CZ3-CB 4.14Å; W260-V270 HydrophobicContact CZ3-CG2 3.98Å; W260-S332 VanDerWaalsContact CE2-CA 3.46Å; W260-S332 WeakPolarHBondContact CZ2-O 3.3Å; W260-H340 AromaticContact CD2-CD2 3.47Å; W260-H340 VanDerWaalsContact CD2-CD2 3.47Å; W260-H340 AromaticContact CD2-NE2 3.33Å; W260-H340 VanDerWaalsContact CD2-NE2 3.33Å; W260-H340 AromaticContact CE2-CD2 3.17Å; W260-H340 AromaticContact CE2-NE2 3.62Å; W260-H340 AromaticContact CE3-CD2 3.71Å; W260-H340 AromaticContact CE3-NE2 3.33Å; W260-H340 VanDerWaalsContact CE3-NE2 3.33Å; W260-H340 AromaticContact CG-NE2 3.9Å; W260-H340 HydrophobicContact CH2-CB 4.44Å; W260-H340 AromaticContact CH2-CD2 3.41Å; W260-H340 VanDerWaalsContact CH2-CD2 3.41Å; W260-H340 WeakPolarHBondContact CH2-CD2 3.3Å; W260-H340 AromaticContact CH2-CG 3.87Å; W260-H340 AromaticContact CH2-NE2 3.87Å; W260-H340 WeakPolarHBondContact CH2-O 3.24Å; W260-H340 HydrophobicContact CZ2-CB 4.32Å; W260-H340 AromaticContact CZ2-CD2 3.16Å; W260-H340 WeakPolarHBondContact CZ2-CD2 3.23Å; W260-H340 AromaticContact CZ2-CG 3.89Å; W260-H340 AromaticContact CZ2-NE2 3.89Å; W260-H340 AromaticContact CZ3-CD2 3.67Å; W260-H340 AromaticContact CZ3-NE2 3.6Å; W260-H340 AromaticContact NE1-CD2 3.78Å; W260-H340 PolarHBondContact O-NE2 3.02Å; W260-C342 HydrophobicContact CH2-CB 3.9Å; W260-C342 HydrophobicContact CZ3-CB 3.72Å
261N93.2Very high94.3Very high91 Ų9149.9 Ų49.949%0.48724%0.239SC..THydrogen-bonded Turntrans-89.48.1179.2-63-63000113.4K257 I259 R263K257-N261 WeakPolarHBondContact O-CB 3.44Å; K257-N261 PolarHBondContact O-N 3.22Å; K257-N261 VanDerWaalsContact O-N 3.11Å; K257-N261 PolarHBondContact O-ND2 3.41Å; I259-N261 VanDerWaalsContact C-N 3.29Å; I259-N261 PolarHBondContact O-N 3.09Å; N261-R263 PolarHBondContact O-N 3.02Å
262N93.3Very high94.3Very high35 Ų3549.2 Ų49.219%0.18724%0.236CC..  trans-70.9124.9-177.1-168-65.3000110.8S258 I259 W260 W264 L265 K266S258-N262 WeakPolarHBondContact O-CB 3.23Å; S258-N262 PolarHBondContact O-N 3.08Å; S258-N262 VanDerWaalsContact O-N 3.17Å; I259-N262 WeakPolarHBondContact O-CB 3.47Å; I259-N262 PolarHBondContact O-N 3.07Å; W260-N262 VanDerWaalsContact C-N 3.31Å; W260-N262 PolarHBondContact O-N 3.3Å; N262-W264 PolarHBondContact O-N 3.33Å; N262-W264 WeakPolarHBondContact OD1-CB 3.31Å; N262-W264 VanDerWaalsContact OD1-CD1 3.3Å; N262-W264 PolarHBondContact OD1-N 3.08Å; N262-L265 HydrophobicContact CB-CB 4.25Å; N262-L265 HydrophobicContact CB-CD1 4.4Å; N262-L265 HydrophobicContact CB-CG 4.44Å; N262-L265 CarbonylContact O-C 3.57Å; N262-L265 PolarHBondContact O-N 3.29Å; N262-K266 PolarHBondContact O-N 2.63Å
263R92.5Very high94.3Very high194 Ų19449.2 Ų49.273%0.73224%0.235SC*.THydrogen-bonded Turntrans-54.7-28.4-178.464.2177.7164.3-172.9-6.4115N261N261-R263 PolarHBondContact O-N 3.02Å
264W92.5Very high94.3Very high141 Ų14148.4 Ų48.453%0.53423%0.231SC..THydrogen-bonded Turntrans-84.6-19.7179.6-55.8109.9000112.8F221 N262F221-W264 HydrophobicContact CB-CB 4.37Å; F221-W264 HydrophobicContact CD2-CB 3.74Å; F221-W264 HydrophobicContact CD2-CG 4.13Å; F221-W264 HydrophobicContact CG-CB 4.49Å; N262-W264 PolarHBondContact O-N 3.33Å; N262-W264 WeakPolarHBondContact OD1-CB 3.31Å; N262-W264 VanDerWaalsContact OD1-CD1 3.3Å; N262-W264 PolarHBondContact OD1-N 3.08Å
265L92.1Very high94.3Very high3 Ų343.8 Ų43.82%0.01621%0.206CC..THydrogen-bonded Turntrans-116-1.1-175.7-57.4175.1000113.4L44 F221 V227 I259 N262 T267 I268 H340L44-L265 HydrophobicContact CD1-CD1 4.17Å; F221-L265 HydrophobicContact CD1-CD1 4.34Å; F221-L265 HydrophobicContact CD1-CD2 4.3Å; F221-L265 HydrophobicContact CD2-CD1 4.43Å; F221-L265 HydrophobicContact CD2-CD2 4.5Å; F221-L265 HydrophobicContact CD2-CG 4.27Å; F221-L265 HydrophobicContact CE1-CD1 3.89Å; F221-L265 HydrophobicContact CE2-CD1 3.98Å; F221-L265 HydrophobicContact CE2-CG 4.23Å; F221-L265 HydrophobicContact CG-CD2 4.21Å; F221-L265 HydrophobicContact CG-CG 4.44Å; F221-L265 HydrophobicContact CZ-CD1 3.69Å; F221-L265 HydrophobicContact CZ-CG 4.39Å; V227-L265 HydrophobicContact CG2-CD1 4.19Å; V227-L265 HydrophobicContact CG2-CD2 4.15Å; I259-L265 HydrophobicContact CD1-CD1 4.44Å; I259-L265 HydrophobicContact CG2-CD1 3.97Å; N262-L265 HydrophobicContact CB-CB 4.25Å; N262-L265 HydrophobicContact CB-CD1 4.4Å; N262-L265 HydrophobicContact CB-CG 4.44Å; N262-L265 CarbonylContact O-C 3.57Å; N262-L265 PolarHBondContact O-N 3.29Å; L265-T267 PolarHBondContact O-N 2.87Å; L265-I268 HydrophobicContact CD2-CG1 4.37Å; L265-I268 WeakPolarHBondContact O-CB 3.27Å; L265-I268 PolarHBondContact O-N 2.96Å; L265-H340 PolarHBondContact O-CE1 2.85Å; L265-H340 VanDerWaalsContact O-CE1 3.3Å
266K87.1Confident94.3Very high128 Ų12844.1 Ų44.156%0.55721%0.207SC*.THydrogen-bonded Turntrans-55.7-18.6-173.870.4179.8-176.3174.50115.9N262 H340N262-K266 PolarHBondContact O-N 2.63Å; K266-H340 PolarHBondContact O-ND1 3.31Å
267T85.6Confident94.3Very high82 Ų8245.3 Ų45.350%0.50321%0.213SC..THydrogen-bonded Turntrans-110.41.417757.40000113L265L265-T267 PolarHBondContact O-N 2.87Å
268I90.2Very high94.3Very high18 Ų1842.5 Ų42.59%0.09220%0.203CC..SBendtrans-97.9117.7-175.8-55.5-53.7000108.6V224 V227 L265 H340V224-I268 HydrophobicContact CG1-CG2 4.04Å; V224-I268 WeakPolarHBondContact O-CD1 3.39Å; V227-I268 HydrophobicContact CG2-CG2 4.06Å; L265-I268 HydrophobicContact CD2-CG1 4.37Å; L265-I268 WeakPolarHBondContact O-CB 3.27Å; L265-I268 PolarHBondContact O-N 2.96Å; I268-H340 PolarHBondContact O-CE1 3Å; I268-H340 PolarHBondContact O-ND1 3.43Å
269S89.4Confident94.4Very high7 Ų740.3 Ų40.35%0.04919%0.185CC..  trans-60146.9177.5-59.20000112V227 H341V227-S269 PolarHBondContact N-O 2.85Å; S269-H341 WeakPolarHBondContact CA-O 3.39Å
270V95Very high94.6Very high2 Ų240 Ų401%0.01218%0.184CC..EExtended strand (participates in β ladder)trans-109.9124.3179.7-174.30000109.5V227 F229 F256 W260 H341 C342 Y343V227-V270 HydrophobicContact CB-CG2 4.34Å; V227-V270 HydrophobicContact CG1-CG1 4.33Å; V227-V270 CarbonylContact O-C 3.57Å; V227-V270 WeakPolarHBondContact O-CA 3.47Å; F229-V270 HydrophobicContact CB-CG1 3.69Å; F256-V270 HydrophobicContact CE2-CG1 3.8Å; W260-V270 HydrophobicContact CE3-CB 4.39Å; W260-V270 HydrophobicContact CE3-CG2 3.91Å; W260-V270 HydrophobicContact CZ3-CB 4.14Å; W260-V270 HydrophobicContact CZ3-CG2 3.98Å; V270-H341 PolarHBondContact N-O 3.45Å; V270-C342 CarbonylContact O-C 3.56Å; V270-C342 VanDerWaalsContact O-CA 3.29Å; V270-C342 WeakPolarHBondContact O-CA 3.25Å; V270-Y343 PolarHBondContact O-N 3Å
271I96.4Very high94.7Very high0 Ų040.6 Ų40.60%019%0.19CC..EExtended strand (participates in β ladder)trans-91.7114.5167.6-59.2171.6000106.3A226 V227 I228 F229 F273 C362 I366A226-I271 HydrophobicContact CB-CD1 4.35Å; V227-I271 PolarHBondContact O-N 3.22Å; I228-I271 CarbonylContact C-O 3.55Å; I228-I271 WeakPolarHBondContact CA-O 3.42Å; I228-I271 HydrophobicContact CG1-CB 4.24Å; I228-I271 HydrophobicContact CG1-CD1 4.35Å; F229-I271 PolarHBondContact N-O 3.38Å; I271-F273 HydrophobicContact CG2-CD1 3.79Å; I271-F273 HydrophobicContact CG2-CE1 3.39Å; I271-F273 HydrophobicContact CG2-CZ 4.35Å; I271-C362 HydrophobicContact CD1-CB 3.98Å; I271-C362 WeakPolarHBondContact CG2-SG 3.46Å; I271-I366 HydrophobicContact CD1-CD1 4.03Å; I271-I366 HydrophobicContact CD1-CG1 3.95Å
272L98.2Very high94.8Very high0 Ų040.9 Ų40.90%019%0.189CC..EExtended strand (participates in β ladder)trans-96.5110.4-175.7171.564.5000110F229 F256 L274 F328 Y343 P344 H345F229-L272 HydrophobicContact CB-CD1 4.45Å; F229-L272 HydrophobicContact CD1-CD1 3.76Å; F229-L272 CarbonylContact O-C 3.51Å; F256-L272 HydrophobicContact CD2-CD1 4.38Å; F256-L272 HydrophobicContact CE2-CD1 4.25Å; L272-L274 HydrophobicContact CD1-CD2 4.29Å; L272-L274 HydrophobicContact CD2-CD2 4.13Å; L272-L274 HydrophobicContact CD2-CG 4.33Å; L272-L274 HydrophobicContact CG-CD2 4.15Å; L272-L274 HydrophobicContact CG-CG 4.19Å; L272-F328 HydrophobicContact CD1-CD1 3.93Å; L272-F328 HydrophobicContact CD1-CE1 4.27Å; L272-F328 HydrophobicContact CD1-CG 4.27Å; L272-F328 HydrophobicContact CD2-CB 3.36Å; L272-F328 HydrophobicContact CD2-CD1 4.05Å; L272-F328 HydrophobicContact CD2-CD2 4.35Å; L272-F328 HydrophobicContact CD2-CG 3.68Å; L272-Y343 PolarHBondContact N-O 2.94Å; L272-P344 HydrophobicContact CD2-CB 4.34Å; L272-P344 CarbonylContact O-C 3.57Å; L272-P344 WeakPolarHBondContact O-CA 3.49Å; L272-H345 PolarHBondContact O-N 3.12Å
273F98.7Very high95Very high4 Ų441.1 Ų41.12%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-91.7106.7172.5-76.810.2000110I54 I228 F229 V230 C231 I271 N275 H345 T347 V358I54-F273 HydrophobicContact CD1-CD2 3.6Å; I54-F273 HydrophobicContact CD1-CE2 4.1Å; I54-F273 HydrophobicContact CG1-CD2 4.32Å; I54-F273 HydrophobicContact CG1-CE2 4.45Å; I54-F273 HydrophobicContact CG2-CE2 4.37Å; I228-F273 HydrophobicContact CG2-CD1 4.25Å; I228-F273 HydrophobicContact CG2-CD2 3.8Å; I228-F273 HydrophobicContact CG2-CE1 4.36Å; I228-F273 HydrophobicContact CG2-CE2 3.9Å; I228-F273 HydrophobicContact CG2-CG 3.97Å; I228-F273 HydrophobicContact CG2-CZ 4.18Å; F229-F273 PolarHBondContact O-N 3.47Å; V230-F273 HydrophobicContact CB-CB 4.5Å; V230-F273 HydrophobicContact CG1-CB 4.29Å; V230-F273 HydrophobicContact CG2-CB 4.31Å; C231-F273 PolarHBondContact N-O 3.1Å; I271-F273 HydrophobicContact CG2-CD1 3.79Å; I271-F273 HydrophobicContact CG2-CE1 3.39Å; I271-F273 HydrophobicContact CG2-CZ 4.35Å; F273-N275 VanDerWaalsContact C-N 3.34Å; F273-N275 PolarHBondContact O-N 3.36Å; F273-N275 VanDerWaalsContact O-N 3.17Å; F273-H345 HydrophobicContact CD1-CB 4.09Å; F273-H345 HydrophobicContact CE1-CB 4.24Å; F273-T347 HydrophobicContact CB-CG2 4.2Å; F273-T347 HydrophobicContact CD1-CG2 4.04Å; F273-T347 HydrophobicContact CD2-CG2 3.93Å; F273-T347 HydrophobicContact CE1-CG2 4.39Å; F273-T347 HydrophobicContact CE2-CG2 4.31Å; F273-T347 HydrophobicContact CG-CG2 3.8Å; F273-V358 HydrophobicContact CD1-CG1 4.3Å; F273-V358 HydrophobicContact CE1-CG1 3.47Å; F273-V358 VanDerWaalsContact CE1-CG1 3.47Å; F273-V358 HydrophobicContact CE2-CG1 4.44Å; F273-V358 HydrophobicContact CZ-CG1 3.58Å
274L98.8Very high95.3Very high0 Ų033.1 Ų33.10%016%0.16CC..EExtended strand (participates in β ladder)trans-83.183.4169-63.3172.9000107.7C231 L272 Q277 I324 R325 F328 H345 F346 T347C231-L274 HydrophobicContact CB-CD2 4.44Å; L272-L274 HydrophobicContact CD1-CD2 4.29Å; L272-L274 HydrophobicContact CD2-CD2 4.13Å; L272-L274 HydrophobicContact CD2-CG 4.33Å; L272-L274 HydrophobicContact CG-CD2 4.15Å; L272-L274 HydrophobicContact CG-CG 4.19Å; L274-Q277 PolarHBondContact O-NE2 3.31Å; L274-I324 HydrophobicContact CD2-CG2 4.08Å; L274-R325 HydrophobicContact CD1-CB 3.52Å; L274-R325 HydrophobicContact CD1-CG 3.84Å; L274-F328 HydrophobicContact CD2-CD2 3.88Å; L274-F328 HydrophobicContact CD2-CE2 4.06Å; L274-H345 PolarHBondContact N-O 3.29Å; L274-F346 HydrophobicContact CB-CD1 3.93Å; L274-F346 HydrophobicContact CB-CE1 4.36Å; L274-F346 HydrophobicContact CD1-CD1 3.88Å; L274-F346 HydrophobicContact CD1-CE1 3.5Å; L274-F346 HydrophobicContact CD1-CZ 4.33Å; L274-T347 PolarHBondContact O-N 2.77Å; L274-T347 PolarHBondContact O-OG1 3.04Å
275N98.8Very high95.5Very high4 Ų432.5 Ų32.52%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-87167.2-169.5-17035.8000113S49 V230 C231 S233 F273 T347 A349S49-N275 PolarHBondContact O-ND2 3.02Å; V230-N275 HydrophobicContact CG1-CB 3.86Å; C231-N275 WeakPolarHBondContact O-CA 3.44Å; C231-N275 WeakPolarHBondContact O-CB 3.45Å; C231-N275 PolarHBondContact O-N 3.02Å; S233-N275 PolarHBondContact N-O 3.44Å; F273-N275 VanDerWaalsContact C-N 3.34Å; F273-N275 PolarHBondContact O-N 3.36Å; F273-N275 VanDerWaalsContact O-N 3.17Å; N275-T347 CarbonylContact C-O 3.53Å; N275-T347 VanDerWaalsContact CA-O 3.27Å; N275-T347 WeakPolarHBondContact CA-O 3.46Å; N275-T347 WeakPolarHBondContact CA-OG1 3.5Å; N275-T347 WeakPolarHBondContact CB-OG1 3.47Å; N275-T347 PolarHBondContact N-OG1 3.2Å; N275-T347 PolarHBondContact OD1-O 3.2Å; N275-A349 WeakPolarHBondContact OD1-CB 3.32Å; N275-A349 PolarHBondContact OD1-N 3.45Å
276K98.3Very high95.6Very high18 Ų1834.6 Ų34.68%0.07818%0.176CC..  trans63.642.5-179-47.6-169.6-170.6172.70112.6E48 D156 A232 D278 L279 L280 T347E48-K276 WeakPolarHBondContact O-CE 3.16Å; E48-K276 PolarHBondContact O-NZ 3.32Å; D156-K276 IonicContact OD1-NZ 3.13Å; D156-K276 IonicContact OD2-NZ 2.77Å; D156-K276 PolarHBondContact OD2-NZ 3Å; A232-K276 HydrophobicContact CB-CD 3.83Å; A232-K276 HydrophobicContact CB-CG 4.32Å; K276-D278 VanDerWaalsContact C-OD1 3.25Å; K276-D278 VanDerWaalsContact CA-OD1 3.25Å; K276-D278 WeakPolarHBondContact CA-OD1 3.34Å; K276-D278 PolarHBondContact O-N 3.08Å; K276-L279 HydrophobicContact CB-CB 4.36Å; K276-L279 HydrophobicContact CB-CD1 4.39Å; K276-L279 HydrophobicContact CD-CD1 3.99Å; K276-L279 PolarHBondContact O-N 2.99Å; K276-L280 PolarHBondContact O-N 2.96Å; K276-T347 PolarHBondContact N-O 3.33Å; K276-T347 VanDerWaalsContact N-O 3.12Å
277Q98.1Very high96Very high25 Ų2530.8 Ų30.812%0.11717%0.172CC..Hα-helixtrans-62.5-29.5175.1-65.5-58-53.300112.2S233 L274 L280 A281 K321 F346 T347S233-Q277 PolarHBondContact OG-NE2 3.4Å; L274-Q277 PolarHBondContact O-NE2 3.31Å; Q277-L280 PolarHBondContact O-N 2.96Å; Q277-A281 VanDerWaalsContact O-CB 3.27Å; Q277-A281 WeakPolarHBondContact O-CB 3.36Å; Q277-A281 PolarHBondContact O-N 3.3Å; Q277-K321 VanDerWaalsContact OE1-CB 3.23Å; Q277-F346 HydrophobicContact CG-CB 4.05Å; Q277-T347 WeakPolarHBondContact CG-O 3.37Å; Q277-T347 PolarHBondContact N-O 2.76Å
278D96.9Very high96.3Very high53 Ų5332.7 Ų32.728%0.28317%0.17SC..Hα-helixtrans-57.6-52.9171.760.1-36.2000111.6R182 K276 A281 E282R182-D278 IonicContact NH2-OD2 3.69Å; K276-D278 VanDerWaalsContact C-OD1 3.25Å; K276-D278 VanDerWaalsContact CA-OD1 3.25Å; K276-D278 WeakPolarHBondContact CA-OD1 3.34Å; K276-D278 PolarHBondContact O-N 3.08Å; D278-A281 PolarHBondContact O-N 3.03Å; D278-E282 PolarHBondContact O-N 2.66Å
279L97.5Very high96.5Very high28 Ų2833.5 Ų33.515%0.14717%0.174CC..Hα-helixtrans-72.3-31179.6-58.9-177.9000112.4D156 K276 K283D156-L279 HydrophobicContact CB-CD1 3.84Å; K276-L279 HydrophobicContact CB-CB 4.36Å; K276-L279 HydrophobicContact CB-CD1 4.39Å; K276-L279 HydrophobicContact CD-CD1 3.99Å; K276-L279 PolarHBondContact O-N 2.99Å; L279-K283 WeakPolarHBondContact O-CB 3.03Å; L279-K283 VanDerWaalsContact O-CG 3.31Å; L279-K283 WeakPolarHBondContact O-CG 3.39Å; L279-K283 PolarHBondContact O-N 3.38Å; L279-K283 VanDerWaalsContact O-N 3.07Å
280L98.3Very high96.8Very high0 Ų038.6 Ų38.60%020%0.195CC..Hα-helixtrans-63-49172.4178.667000109.7Y236 K276 Q277 E282 K283 I284 K321 I324Y236-L280 HydrophobicContact CD1-CD1 3.9Å; Y236-L280 HydrophobicContact CE1-CD1 3.86Å; K276-L280 PolarHBondContact O-N 2.96Å; Q277-L280 PolarHBondContact O-N 2.96Å; L280-E282 VanDerWaalsContact C-N 3.33Å; L280-E282 PolarHBondContact O-N 3.04Å; L280-K283 PolarHBondContact O-N 3.44Å; L280-I284 HydrophobicContact CD1-CD1 4.35Å; L280-I284 HydrophobicContact CD1-CG1 3.95Å; L280-I284 HydrophobicContact CG-CG1 4.22Å; L280-I284 WeakPolarHBondContact O-CB 3.5Å; L280-I284 VanDerWaalsContact O-CG1 3.26Å; L280-I284 WeakPolarHBondContact O-CG1 3.26Å; L280-I284 PolarHBondContact O-N 3.07Å; L280-K321 HydrophobicContact CD2-CB 3.93Å; L280-I324 HydrophobicContact CD1-CD1 4.03Å; L280-I324 HydrophobicContact CD2-CD1 4.11Å
281A97.7Very high97Very high20 Ų2038.6 Ų38.617%0.16520%0.195CC..Hα-helixtrans-59.4-44.2179.700000111.7Q277 D278 K285 V317Q277-A281 VanDerWaalsContact O-CB 3.27Å; Q277-A281 WeakPolarHBondContact O-CB 3.36Å; Q277-A281 PolarHBondContact O-N 3.3Å; D278-A281 PolarHBondContact O-N 3.03Å; A281-K285 VanDerWaalsContact O-CB 3.3Å; A281-K285 WeakPolarHBondContact O-CB 3.37Å; A281-K285 VanDerWaalsContact O-CG 3.23Å; A281-K285 WeakPolarHBondContact O-CG 3.46Å; A281-K285 PolarHBondContact O-N 3.29Å; A281-V317 HydrophobicContact CB-CG1 3.8Å; A281-V317 HydrophobicContact CB-CG2 4.08Å
282E96.2Very high97.1Very high96 Ų9641.7 Ų41.745%0.44921%0.209SC..Hα-helixtrans-57.8-50.7175.2-174.2-175.115200111.7D278 L280 I284 K285 S286D278-E282 PolarHBondContact O-N 2.66Å; L280-E282 VanDerWaalsContact C-N 3.33Å; L280-E282 PolarHBondContact O-N 3.04Å; E282-I284 PolarHBondContact O-N 2.72Å; E282-K285 PolarHBondContact O-N 3.22Å; E282-S286 WeakPolarHBondContact O-CB 3.24Å; E282-S286 PolarHBondContact O-N 3.35Å
283K96.8Very high97Very high41 Ų4147.1 Ų47.118%0.17824%0.238CC..Hα-helixtrans-63.5-45.2-178.1-73.2-177.8177.8-173.20112.4S234 Y236 N237 L279 L280 S286S234-K283 WeakPolarHBondContact O-CD 3.4Å; S234-K283 PolarHBondContact O-NZ 3.45Å; Y236-K283 HydrophobicContact CE1-CB 4Å; Y236-K283 HydrophobicContact CE1-CD 3.97Å; Y236-K283 WeakPolarHBondContact OH-CB 3.17Å; N237-K283 PolarHBondContact OD1-NZ 2.87Å; L279-K283 WeakPolarHBondContact O-CB 3.03Å; L279-K283 VanDerWaalsContact O-CG 3.31Å; L279-K283 WeakPolarHBondContact O-CG 3.39Å; L279-K283 PolarHBondContact O-N 3.38Å; L279-K283 VanDerWaalsContact O-N 3.07Å; L280-K283 PolarHBondContact O-N 3.44Å; K283-S286 PolarHBondContact O-N 3.39Å; K283-S286 PolarHBondContact O-OG 2.72Å
284I97.9Very high97Very high26 Ų2650 Ų5013%0.13325%0.25CC..Hα-helixtrans-63.1-46.9178.9-64.7-62.6000110.8Y236 L280 E282 S286 G287 L291 S316 V317 A320Y236-I284 HydrophobicContact CE1-CD1 4.37Å; L280-I284 HydrophobicContact CD1-CD1 4.35Å; L280-I284 HydrophobicContact CD1-CG1 3.95Å; L280-I284 HydrophobicContact CG-CG1 4.22Å; L280-I284 WeakPolarHBondContact O-CB 3.5Å; L280-I284 VanDerWaalsContact O-CG1 3.26Å; L280-I284 WeakPolarHBondContact O-CG1 3.26Å; L280-I284 PolarHBondContact O-N 3.07Å; E282-I284 PolarHBondContact O-N 2.72Å; I284-S286 VanDerWaalsContact C-N 3.3Å; I284-S286 PolarHBondContact O-N 3.11Å; I284-G287 PolarHBondContact O-N 2.65Å; I284-L291 HydrophobicContact CD1-CB 4.25Å; I284-S316 WeakPolarHBondContact CG2-OG 3.15Å; I284-V317 HydrophobicContact CB-CG2 4.19Å; I284-V317 HydrophobicContact CG2-CG2 4.04Å; I284-A320 HydrophobicContact CD1-CB 3.68Å; I284-A320 HydrophobicContact CG1-CB 3.75Å
285K97.2Very high97Very high127 Ų12750.2 Ų50.255%0.55225%0.251SS*.Hα-helixtrans-65.2-31.8178.7-72.4176.2175.2-176.50113.1A281 E282 G287 V317A281-K285 VanDerWaalsContact O-CB 3.3Å; A281-K285 WeakPolarHBondContact O-CB 3.37Å; A281-K285 VanDerWaalsContact O-CG 3.23Å; A281-K285 WeakPolarHBondContact O-CG 3.46Å; A281-K285 PolarHBondContact O-N 3.29Å; E282-K285 PolarHBondContact O-N 3.22Å; K285-G287 PolarHBondContact O-N 3.32Å; K285-V317 HydrophobicContact CG-CG2 4.05Å
286S95.3Very high96.9Very high48 Ų4853.8 Ų53.834%0.33627%0.274SS..Hα-helixtrans-64.1-26.9177.179.80000113.1E282 K283 I284 R288E282-S286 WeakPolarHBondContact O-CB 3.24Å; E282-S286 PolarHBondContact O-N 3.35Å; K283-S286 PolarHBondContact O-N 3.39Å; K283-S286 PolarHBondContact O-OG 2.72Å; I284-S286 VanDerWaalsContact C-N 3.3Å; I284-S286 PolarHBondContact O-N 3.11Å; S286-R288 PolarHBondContact O-N 2.98Å; S286-R288 PolarHBondContact OG-N 2.9Å
287G94.6Very high96.9Very high47 Ų4758.1 Ų58.149%0.48529%0.294SS..  trans652.8-177.100000115.5I284 K285I284-G287 PolarHBondContact O-N 2.65Å; K285-G287 PolarHBondContact O-N 3.32Å
288R92.9Very high96.9Very high122 Ų12257.5 Ų57.546%0.4629%0.291SS..SBendtrans-72.1-37-173.3-66.4-170.5-71.2-1596.5113.9D147 S286D147-R288 IonicContact OD1-CZ 3.5Å; D147-R288 IonicContact OD1-NH1 3.27Å; D147-R288 PolarHBondContact OD1-NH1 2.75Å; D147-R288 IonicContact OD1-NH2 3.93Å; D147-R288 PolarHBondContact OD1-NH2 2.77Å; D147-R288 IonicContact OD2-NH1 2.73Å; D147-R288 PolarHBondContact OD2-NH1 2.93Å; S286-R288 PolarHBondContact O-N 2.98Å; S286-R288 PolarHBondContact OG-N 2.9Å
289H93.7Very high96.9Very high36 Ų3657.4 Ų57.417%0.16730%0.298CS..SBendtrans-130.897.4-178.2-52.1-71.8000108.4N150 Y236 N237 Y294N150-H289 PolarHBondContact OD1-CE1 2.85Å; N150-H289 PolarHBondContact OD1-NE2 2.82Å; N150-H289 VanDerWaalsContact OD1-NE2 3.13Å; Y236-H289 WeakPolarHBondContact CE2-O 3.42Å; Y236-H289 PolarHBondContact OH-O 3.35Å; N237-H289 HydrophobicContact CB-CB 4.18Å; N237-H289 WeakPolarHBondContact ND2-CB 3.49Å; H289-Y294 HydrophobicContact CB-CE2 4.21Å
290K96.5Very high96.7Very high114 Ų11463.2 Ų63.250%0.49633%0.329SS..  trans-71139.8-174-59.6-178.2176.7-178.40109.9E292 D293 Y294K290-E292 HydrophobicContact CB-CG 4.05Å; K290-E292 PolarHBondContact O-N 2.94Å; K290-D293 WeakPolarHBondContact CB-OD2 3.39Å; K290-D293 WeakPolarHBondContact O-CB 3.27Å; K290-D293 PolarHBondContact O-N 3.25Å; K290-Y294 VanDerWaalsContact O-CD2 3.3Å; K290-Y294 WeakPolarHBondContact O-CD2 3.38Å
291L98.2Very high96.7Very high1 Ų165.5 Ų65.51%0.00534%0.338CS..G310 helixtrans-64.4-35.3-177.1177.660.8000111.1Y236 I284 D293 Y294 F295 Y298 A320 F323Y236-L291 HydrophobicContact CD1-CD1 4.18Å; Y236-L291 HydrophobicContact CD2-CB 4.37Å; Y236-L291 HydrophobicContact CD2-CD1 3.45Å; Y236-L291 VanDerWaalsContact CD2-CD1 3.45Å; Y236-L291 HydrophobicContact CE2-CB 4.29Å; Y236-L291 HydrophobicContact CE2-CD1 4.16Å; Y236-L291 HydrophobicContact CG-CD1 3.45Å; Y236-L291 VanDerWaalsContact CG-CD1 3.45Å; I284-L291 HydrophobicContact CD1-CB 4.25Å; L291-D293 PolarHBondContact O-N 3.35Å; L291-Y294 PolarHBondContact O-N 2.92Å; L291-Y294 VanDerWaalsContact O-N 3.09Å; L291-F295 HydrophobicContact CD1-CB 4.49Å; L291-F295 HydrophobicContact CD1-CD2 3.88Å; L291-F295 HydrophobicContact CD1-CG 4.47Å; L291-F295 PolarHBondContact O-N 3.47Å; L291-Y298 HydrophobicContact CB-CD1 3.59Å; L291-Y298 HydrophobicContact CB-CE1 3.77Å; L291-Y298 HydrophobicContact CB-CG 4.19Å; L291-Y298 HydrophobicContact CD2-CD1 3.81Å; L291-Y298 HydrophobicContact CD2-CD2 3.7Å; L291-Y298 HydrophobicContact CD2-CE1 3.88Å; L291-Y298 HydrophobicContact CD2-CE2 3.78Å; L291-Y298 HydrophobicContact CD2-CG 3.69Å; L291-Y298 HydrophobicContact CG-CD1 3.77Å; L291-Y298 HydrophobicContact CG-CD2 4.35Å; L291-Y298 HydrophobicContact CG-CE1 4.19Å; L291-Y298 HydrophobicContact CG-CG 3.83Å; L291-A320 HydrophobicContact CD2-CB 4.04Å; L291-F323 HydrophobicContact CD2-CD1 3.82Å; L291-F323 HydrophobicContact CD2-CE1 4.35Å; L291-F323 HydrophobicContact CG-CD1 4.49Å
292E97.9Very high96.6Very high65 Ų6572.3 Ų72.330%0.30437%0.366SS..G310 helixtrans-63.4-21.6176.958.1-93.4-143.800114.6K290 Y294 F295 P296 Y298 A299K290-E292 HydrophobicContact CB-CG 4.05Å; K290-E292 PolarHBondContact O-N 2.94Å; E292-Y294 PolarHBondContact O-N 3.33Å; E292-F295 WeakPolarHBondContact CA-O 3.49Å; E292-F295 CarbonylContact O-C 3.59Å; E292-P296 WeakPolarHBondContact O-CA 3.45Å; E292-Y298 HydrophobicContact CB-CD1 4.23Å; E292-Y298 WeakPolarHBondContact OE2-CD1 3.49Å; E292-A299 HydrophobicContact CB-CB 4.13Å
293D97.4Very high96.6Very high114 Ų11470.4 Ų70.461%0.6136%0.359SS*.G310 helixtrans-71.3-20.9175-61.6-27.1000111.7K290 L291K290-D293 WeakPolarHBondContact CB-OD2 3.39Å; K290-D293 WeakPolarHBondContact O-CB 3.27Å; K290-D293 PolarHBondContact O-N 3.25Å; L291-D293 PolarHBondContact O-N 3.35Å
294Y97.8Very high96.5Very high66 Ų6670.1 Ų70.126%0.25936%0.361SS..THydrogen-bonded Turntrans-110.8-29.5-179.4-57.6-89.8000112.6Y236 N237 R250 H289 K290 L291 E292Y236-Y294 HydrophobicContact CD2-CD2 4.07Å; Y236-Y294 HydrophobicContact CE2-CD2 4.31Å; Y236-Y294 WeakPolarHBondContact O-CB 3.4Å; N237-Y294 HydrophobicContact CB-CD1 4.5Å; N237-Y294 HydrophobicContact CB-CD2 4.05Å; N237-Y294 HydrophobicContact CB-CE1 4.02Å; N237-Y294 HydrophobicContact CB-CE2 3.53Å; R250-Y294 PolarHBondContact NH2-O 3.28Å; H289-Y294 HydrophobicContact CB-CE2 4.21Å; K290-Y294 VanDerWaalsContact O-CD2 3.3Å; K290-Y294 WeakPolarHBondContact O-CD2 3.38Å; L291-Y294 PolarHBondContact O-N 2.92Å; L291-Y294 VanDerWaalsContact O-N 3.09Å; E292-Y294 PolarHBondContact O-N 3.33Å
295F98.3Very high96.2Very high4 Ų475.4 Ų75.42%0.01840%0.4CS..  trans-130.281.1179.1-70.6-95.1000108.9L249 R250 L253 L291 E292 E297 Y298 F323L249-F295 HydrophobicContact CB-CE2 4.1Å; L249-F295 HydrophobicContact CB-CZ 3.78Å; L249-F295 HydrophobicContact CD2-CE1 4.4Å; L249-F295 HydrophobicContact CD2-CE2 3.79Å; L249-F295 HydrophobicContact CD2-CZ 3.69Å; L249-F295 HydrophobicContact CG-CE1 4.47Å; L249-F295 HydrophobicContact CG-CE2 4.21Å; L249-F295 HydrophobicContact CG-CZ 3.71Å; R250-F295 HydrophobicContact CG-CE1 3.82Å; R250-F295 HydrophobicContact CG-CZ 3.62Å; L253-F295 HydrophobicContact CD1-CE1 4.13Å; L291-F295 HydrophobicContact CD1-CB 4.49Å; L291-F295 HydrophobicContact CD1-CD2 3.88Å; L291-F295 HydrophobicContact CD1-CG 4.47Å; L291-F295 PolarHBondContact O-N 3.47Å; E292-F295 WeakPolarHBondContact CA-O 3.49Å; E292-F295 CarbonylContact O-C 3.59Å; F295-E297 VanDerWaalsContact C-OE2 3.29Å; F295-E297 PolarHBondContact O-N 3.06Å; F295-Y298 WeakPolarHBondContact O-CB 3.39Å; F295-Y298 PolarHBondContact O-N 3.13Å; F295-F323 HydrophobicContact CB-CE1 3.72Å; F295-F323 HydrophobicContact CB-CZ 3.79Å; F295-F323 HydrophobicContact CD1-CE1 4.11Å; F295-F323 HydrophobicContact CD1-CZ 4.22Å; F295-F323 HydrophobicContact CG-CE1 4.01Å; F295-F323 HydrophobicContact CG-CZ 4.32Å
296P98.1Very high96.1Very high78 Ų7873.5 Ų73.551%0.50640%0.396SS..G310 helixtrans-53.9-27.6-175.7-27.836.3000114.2E292 Y298 A299E292-P296 WeakPolarHBondContact O-CA 3.45Å; P296-Y298 PolarHBondContact O-N 3.18Å; P296-A299 WeakPolarHBondContact O-CB 3.37Å; P296-A299 PolarHBondContact O-N 3.01Å; P296-A299 VanDerWaalsContact O-N 3.11Å
297E97Very high96.1Very high110 Ų11072 Ų7251%0.51439%0.386SS..G310 helixtrans-59-26.6175.5-56.579.3-172.300112.3F295 A299 F323F295-E297 VanDerWaalsContact C-OE2 3.29Å; F295-E297 PolarHBondContact O-N 3.06Å; E297-A299 VanDerWaalsContact C-N 3.29Å; E297-A299 PolarHBondContact O-N 2.76Å; E297-F323 HydrophobicContact CB-CE2 4.05Å; E297-F323 HydrophobicContact CB-CZ 4.27Å
298Y98.2Very high96.1Very high12 Ų1277 Ų775%0.04740%0.397CS..G310 helixtrans-66.6-26.8177.1-176.4-115.6000113.1L291 E292 F295 P296 N300 Y301 S316 R319 A320 F323L291-Y298 HydrophobicContact CB-CD1 3.59Å; L291-Y298 HydrophobicContact CB-CE1 3.77Å; L291-Y298 HydrophobicContact CB-CG 4.19Å; L291-Y298 HydrophobicContact CD2-CD1 3.81Å; L291-Y298 HydrophobicContact CD2-CD2 3.7Å; L291-Y298 HydrophobicContact CD2-CE1 3.88Å; L291-Y298 HydrophobicContact CD2-CE2 3.78Å; L291-Y298 HydrophobicContact CD2-CG 3.69Å; L291-Y298 HydrophobicContact CG-CD1 3.77Å; L291-Y298 HydrophobicContact CG-CD2 4.35Å; L291-Y298 HydrophobicContact CG-CE1 4.19Å; L291-Y298 HydrophobicContact CG-CG 3.83Å; E292-Y298 HydrophobicContact CB-CD1 4.23Å; E292-Y298 WeakPolarHBondContact OE2-CD1 3.49Å; F295-Y298 WeakPolarHBondContact O-CB 3.39Å; F295-Y298 PolarHBondContact O-N 3.13Å; P296-Y298 PolarHBondContact O-N 3.18Å; Y298-N300 VanDerWaalsContact C-N 3.26Å; Y298-N300 PolarHBondContact O-N 2.83Å; Y298-Y301 WeakPolarHBondContact O-CB 3.3Å; Y298-Y301 PolarHBondContact O-N 3.47Å; Y298-Y301 VanDerWaalsContact O-N 3.15Å; Y298-S316 PolarHBondContact OH-O 2.98Å; Y298-R319 HydrophobicContact CE2-CG 3.87Å; Y298-R319 VanDerWaalsContact CE2-NH1 3.31Å; Y298-R319 VanDerWaalsContact O-CZ 3.26Å; Y298-R319 PolarHBondContact O-NH1 3.3Å; Y298-R319 PolarHBondContact O-NH2 3.34Å; Y298-R319 PolarHBondContact OH-NH1 3.47Å; Y298-A320 HydrophobicContact CE2-CB 4.45Å; Y298-A320 PolarHBondContact OH-N 2.92Å; Y298-F323 HydrophobicContact CD2-CB 3.57Å; Y298-F323 AromaticContact CD2-CD1 3.76Å; Y298-F323 HydrophobicContact CD2-CD1 3.76Å; Y298-F323 AromaticContact CD2-CD2 3.86Å; Y298-F323 HydrophobicContact CD2-CD2 3.86Å; Y298-F323 HydrophobicContact CD2-CE1 4.43Å; Y298-F323 AromaticContact CD2-CG 3.43Å; Y298-F323 HydrophobicContact CD2-CG 3.43Å; Y298-F323 VanDerWaalsContact CD2-CG 3.43Å; Y298-F323 HydrophobicContact CE2-CB 3.79Å; Y298-F323 HydrophobicContact CE2-CG 4.16Å; Y298-F323 HydrophobicContact CG-CD1 4.32Å; Y298-F323 HydrophobicContact CG-CG 4.31Å
299A96.9Very high96Very high51 Ų5176.7 Ų76.742%0.42140%0.399SS..THydrogen-bonded Turntrans-55.4-42.1-175.300000112.2E292 P296 E297 R319E292-A299 HydrophobicContact CB-CB 4.13Å; P296-A299 WeakPolarHBondContact O-CB 3.37Å; P296-A299 PolarHBondContact O-N 3.01Å; P296-A299 VanDerWaalsContact O-N 3.11Å; E297-A299 VanDerWaalsContact C-N 3.29Å; E297-A299 PolarHBondContact O-N 2.76Å; A299-R319 PolarHBondContact O-NH2 3.23Å
300N94.8Very high95.8Very high149 Ų14979.9 Ų79.980%0.79741%0.414SS*.THydrogen-bonded Turntrans-103.96.7-178.1-62.4-44.9000113.8Y298 Q302Y298-N300 VanDerWaalsContact C-N 3.26Å; Y298-N300 PolarHBondContact O-N 2.83Å; N300-Q302 PolarHBondContact O-N 3.28Å
301Y97.1Very high95.5Very high49 Ų4981 Ų8119%0.19243%0.433CS..  trans-63136.3-177.5-177.1-102000112Y298 P304 R319 Y322 F323Y298-Y301 WeakPolarHBondContact O-CB 3.3Å; Y298-Y301 PolarHBondContact O-N 3.47Å; Y298-Y301 VanDerWaalsContact O-N 3.15Å; Y301-P304 WeakPolarHBondContact OH-CD 3.48Å; Y301-R319 HydrophobicContact CD1-CG 4.04Å; Y301-R319 PolarHBondContact O-NE 3.34Å; Y301-R319 PolarHBondContact O-NH2 3.13Å; Y301-Y322 VanDerWaalsContact OH-C 3.27Å; Y301-Y322 PolarHBondContact OH-O 2.94Å; Y301-F323 HydrophobicContact CD1-CB 3.71Å; Y301-F323 HydrophobicContact CD1-CD2 4.3Å; Y301-F323 HydrophobicContact CD1-CG 4.48Å; Y301-F323 HydrophobicContact CD2-CB 4.41Å; Y301-F323 AromaticContact CD2-CD2 3.69Å; Y301-F323 HydrophobicContact CD2-CD2 3.69Å; Y301-F323 HydrophobicContact CE1-CB 3.76Å; Y301-F323 HydrophobicContact CE2-CB 4.46Å; Y301-F323 HydrophobicContact CE2-CD2 4.19Å; Y301-F323 HydrophobicContact CG-CB 4.04Å; Y301-F323 AromaticContact CG-CD2 3.73Å; Y301-F323 HydrophobicContact CG-CD2 3.73Å; Y301-F323 HydrophobicContact CG-CG 4.35Å
302Q95.8Very high95.1Very high162 Ų16284.9 Ų84.976%0.75747%0.474SS*.  trans-110.5141.1173.8-65.5-1762.300109.7N300N300-Q302 PolarHBondContact O-N 3.28Å
303I95.3Very high94.8Very high57 Ų5783.9 Ų83.929%0.29247%0.469SS..  trans-60.2129.7176.6-60.5179.8000108.2A307 F309 V318 R319I303-A307 HydrophobicContact CG2-CB 3.27Å; I303-F309 HydrophobicContact CD1-CE1 4.36Å; I303-F309 HydrophobicContact CD1-CZ 4Å; I303-F309 HydrophobicContact CG2-CE2 4.47Å; I303-F309 HydrophobicContact CG2-CZ 4.17Å; I303-V318 HydrophobicContact CD1-CG1 4.22Å; I303-V318 HydrophobicContact CG2-CG1 4.45Å; I303-R319 HydrophobicContact CD1-CB 4.03Å; I303-R319 HydrophobicContact CG1-CB 3.9Å; I303-R319 HydrophobicContact CG1-CG 3.97Å
304P94.7Very high94.7Very high35 Ų3581.1 Ų81.123%0.22745%0.454CS..  trans-72.6156.3-178.331.7-34.8000110.6Y301 D306 A307 Y322 R325Y301-P304 WeakPolarHBondContact OH-CD 3.48Å; P304-D306 VanDerWaalsContact CB-OD1 3.31Å; P304-D306 WeakPolarHBondContact CB-OD1 3.33Å; P304-D306 WeakPolarHBondContact CG-OD1 3.48Å; P304-D306 PolarHBondContact O-N 3.21Å; P304-A307 HydrophobicContact CG-CB 4.35Å; P304-A307 WeakPolarHBondContact O-CB 3.46Å; P304-A307 PolarHBondContact O-N 2.7Å; P304-Y322 HydrophobicContact CG-CD1 3.78Å; P304-Y322 HydrophobicContact CG-CG 4.32Å; P304-R325 VanDerWaalsContact CG-NH2 3.33Å
305S93.6Very high94.6Very high136 Ų13682 Ų8295%0.95147%0.468SS*.THydrogen-bonded Turntrans-65.3-23.3-175.153.80000114.3A307S305-A307 PolarHBondContact O-N 3.19Å
306D94.9Very high94.5Very high87 Ų8783.8 Ų83.847%0.46548%0.481SS..THydrogen-bonded Turntrans-84.25.4176.574.3-45.5000113P304 Q308 R325P304-D306 VanDerWaalsContact CB-OD1 3.31Å; P304-D306 WeakPolarHBondContact CB-OD1 3.33Å; P304-D306 WeakPolarHBondContact CG-OD1 3.48Å; P304-D306 PolarHBondContact O-N 3.21Å; D306-Q308 PolarHBondContact O-N 3.37Å; D306-R325 VanDerWaalsContact CG-NH2 3.27Å; D306-R325 IonicContact OD1-CZ 2.82Å; D306-R325 IonicContact OD1-NH1 3.87Å; D306-R325 IonicContact OD1-NH2 2.82Å; D306-R325 PolarHBondContact OD1-NH2 3.21Å; D306-R325 IonicContact OD2-CZ 3.61Å; D306-R325 VanDerWaalsContact OD2-CZ 3.27Å; D306-R325 IonicContact OD2-NH1 3.62Å; D306-R325 PolarHBondContact OD2-NH1 3.15Å; D306-R325 IonicContact OD2-NH2 2.76Å; D306-R325 PolarHBondContact OD2-NH2 3.19Å
307A95.4Very high94.5Very high17 Ų1780.3 Ų80.314%0.1446%0.458CS..  trans-67.8125.2179.900000112.4I303 P304 S305 F309 Y322I303-A307 HydrophobicContact CG2-CB 3.27Å; P304-A307 HydrophobicContact CG-CB 4.35Å; P304-A307 WeakPolarHBondContact O-CB 3.46Å; P304-A307 PolarHBondContact O-N 2.7Å; S305-A307 PolarHBondContact O-N 3.19Å; A307-F309 HydrophobicContact CB-CE2 4.19Å; A307-Y322 VanDerWaalsContact CA-CE1 3.5Å; A307-Y322 VanDerWaalsContact CA-CZ 3.48Å; A307-Y322 HydrophobicContact CB-CD1 3.94Å; A307-Y322 HydrophobicContact CB-CD2 4.02Å; A307-Y322 HydrophobicContact CB-CE1 3.74Å; A307-Y322 HydrophobicContact CB-CE2 3.81Å; A307-Y322 HydrophobicContact CB-CG 4.11Å
308Q93Very high94.5Very high152 Ų15275 Ų7571%0.7143%0.434SS*.  trans-94.2133.6171.2-58.9178.9-0.400110.3D306 Y322D306-Q308 PolarHBondContact O-N 3.37Å; Q308-Y322 PolarHBondContact N-OH 3.47Å; Q308-Y322 PolarHBondContact O-OH 2.77Å
309F92Very high94.5Very high116 Ų11677.1 Ų77.151%0.50944%0.441SS..  trans-107.6124178.9-68.7-106000109.1I303 A307 V318I303-F309 HydrophobicContact CD1-CE1 4.36Å; I303-F309 HydrophobicContact CD1-CZ 4Å; I303-F309 HydrophobicContact CG2-CE2 4.47Å; I303-F309 HydrophobicContact CG2-CZ 4.17Å; A307-F309 HydrophobicContact CB-CE2 4.19Å; F309-V318 HydrophobicContact CD1-CB 4.28Å; F309-V318 HydrophobicContact CD1-CG1 4.02Å; F309-V318 HydrophobicContact CD1-CG2 3.75Å; F309-V318 HydrophobicContact CE1-CB 4.01Å; F309-V318 HydrophobicContact CE1-CG1 3.69Å; F309-V318 HydrophobicContact CE1-CG2 3.99Å; F309-V318 HydrophobicContact CE2-CG1 4.37Å; F309-V318 HydrophobicContact CG-CG1 4.5Å; F309-V318 HydrophobicContact CZ-CG1 3.88Å
310E89.9Confident94.6Very high102 Ų10274.7 Ų74.748%0.47742%0.421SS..  trans-77.9147.8170.6-65.5-175.5175.200110.1G312 E313 R357E310-G312 PolarHBondContact O-N 3Å; E310-E313 HydrophobicContact CB-CB 4.22Å; E310-E313 PolarHBondContact N-OE2 2.84Å; E310-E313 VanDerWaalsContact O-CB 3.22Å; E310-E313 WeakPolarHBondContact O-CB 3.4Å; E310-E313 PolarHBondContact O-N 3.48Å; E310-R357 IonicContact OE1-NH2 3.96Å
311P89Confident94.8Very high137 Ų13767.9 Ų67.989%0.8939%0.385SS*.THydrogen-bonded Turntrans-55.3125.2178.5-25.634.5000112.2E313P311-E313 VanDerWaalsContact C-N 3.27Å; P311-E313 PolarHBondContact O-N 2.84Å
312G90Very high94.8Very high84 Ų8465.9 Ų65.987%0.86638%0.377SS*.THydrogen-bonded Turntrans77.55.9-179.700000115E310E310-G312 PolarHBondContact O-N 3Å
313E92.5Very high95Very high44 Ų4458.3 Ų58.321%0.20634%0.341CS..  trans-71.2135.8176.3-162.8173.3-160.600111.4E310 P311 V318 K321E310-E313 HydrophobicContact CB-CB 4.22Å; E310-E313 PolarHBondContact N-OE2 2.84Å; E310-E313 VanDerWaalsContact O-CB 3.22Å; E310-E313 WeakPolarHBondContact O-CB 3.4Å; E310-E313 PolarHBondContact O-N 3.48Å; P311-E313 VanDerWaalsContact C-N 3.27Å; P311-E313 PolarHBondContact O-N 2.84Å; E313-V318 HydrophobicContact CB-CG2 4.19Å; E313-V318 HydrophobicContact CG-CG2 3.7Å; E313-V318 WeakPolarHBondContact OE2-CG2 3.43Å; E313-K321 WeakPolarHBondContact OE1-CE 3.43Å; E313-K321 IonicContact OE1-NZ 3.34Å; E313-K321 PolarHBondContact OE1-NZ 2.98Å; E313-K321 IonicContact OE2-NZ 3.28Å; E313-K321 PolarHBondContact OE2-NZ 3.48Å
314D95.1Very high95.1Very high56 Ų5655.6 Ų55.630%0.29933%0.328SS..  trans-71.1127.3-179.2-173.3-58.7000110.5S316 V317 V318D314-S316 PolarHBondContact O-N 3.18Å; D314-S316 VanDerWaalsContact O-N 3.12Å; D314-S316 VanDerWaalsContact OD1-CB 3.27Å; D314-S316 WeakPolarHBondContact OD1-CB 3.39Å; D314-S316 PolarHBondContact OD1-N 3.22Å; D314-S316 PolarHBondContact OD1-OG 3.32Å; D314-V317 HydrophobicContact CB-CB 4.25Å; D314-V317 HydrophobicContact CB-CG2 3.9Å; D314-V317 WeakPolarHBondContact O-CA 3.36Å; D314-V317 WeakPolarHBondContact O-CB 3.18Å; D314-V317 PolarHBondContact O-N 2.99Å; D314-V318 PolarHBondContact O-N 3.08Å
315P95.1Very high95.3Very high84 Ų8455 Ų5555%0.54532%0.321SS..Hα-helixtrans-55.5-31.3-179.2-27.635.3000114.5V318 R319P315-V318 PolarHBondContact O-N 3.35Å; P315-R319 WeakPolarHBondContact O-CB 3.32Å; P315-R319 PolarHBondContact O-N 3.1Å
316S96.3Very high95.5Very high42 Ų4249.3 Ų49.329%0.29428%0.284SS..Hα-helixtrans-69.3-35.7176.469.90000112.1I284 Y298 D314 R319 A320I284-S316 WeakPolarHBondContact CG2-OG 3.15Å; Y298-S316 PolarHBondContact OH-O 2.98Å; D314-S316 PolarHBondContact O-N 3.18Å; D314-S316 VanDerWaalsContact O-N 3.12Å; D314-S316 VanDerWaalsContact OD1-CB 3.27Å; D314-S316 WeakPolarHBondContact OD1-CB 3.39Å; D314-S316 PolarHBondContact OD1-N 3.22Å; D314-S316 PolarHBondContact OD1-OG 3.32Å; S316-R319 PolarHBondContact O-N 3.29Å; S316-A320 WeakPolarHBondContact O-CB 3.37Å; S316-A320 PolarHBondContact O-N 3.45Å
317V97.7Very high95.7Very high4 Ų447.3 Ų47.32%0.02427%0.272CS..Hα-helixtrans-70.1-42.7175177.30000110.4A281 I284 K285 D314 R319 A320 K321A281-V317 HydrophobicContact CB-CG1 3.8Å; A281-V317 HydrophobicContact CB-CG2 4.08Å; I284-V317 HydrophobicContact CB-CG2 4.19Å; I284-V317 HydrophobicContact CG2-CG2 4.04Å; K285-V317 HydrophobicContact CG-CG2 4.05Å; D314-V317 HydrophobicContact CB-CB 4.25Å; D314-V317 HydrophobicContact CB-CG2 3.9Å; D314-V317 WeakPolarHBondContact O-CA 3.36Å; D314-V317 WeakPolarHBondContact O-CB 3.18Å; D314-V317 PolarHBondContact O-N 2.99Å; V317-R319 VanDerWaalsContact C-N 3.34Å; V317-R319 PolarHBondContact O-N 3.26Å; V317-A320 PolarHBondContact O-N 3.26Å; V317-K321 PolarHBondContact O-N 3.28Å
318V97.9Very high95.8Very high0 Ų046.5 Ų46.50%027%0.265CS..Hα-helixtrans-56.8-50.8172.7-179.80000109.8I303 F309 E313 D314 P315 A320 K321 Y322I303-V318 HydrophobicContact CD1-CG1 4.22Å; I303-V318 HydrophobicContact CG2-CG1 4.45Å; F309-V318 HydrophobicContact CD1-CB 4.28Å; F309-V318 HydrophobicContact CD1-CG1 4.02Å; F309-V318 HydrophobicContact CD1-CG2 3.75Å; F309-V318 HydrophobicContact CE1-CB 4.01Å; F309-V318 HydrophobicContact CE1-CG1 3.69Å; F309-V318 HydrophobicContact CE1-CG2 3.99Å; F309-V318 HydrophobicContact CE2-CG1 4.37Å; F309-V318 HydrophobicContact CG-CG1 4.5Å; F309-V318 HydrophobicContact CZ-CG1 3.88Å; E313-V318 HydrophobicContact CB-CG2 4.19Å; E313-V318 HydrophobicContact CG-CG2 3.7Å; E313-V318 WeakPolarHBondContact OE2-CG2 3.43Å; D314-V318 PolarHBondContact O-N 3.08Å; P315-V318 PolarHBondContact O-N 3.35Å; V318-A320 VanDerWaalsContact C-N 3.33Å; V318-A320 PolarHBondContact O-N 2.79Å; V318-K321 WeakPolarHBondContact O-CG 3.35Å; V318-K321 PolarHBondContact O-N 2.95Å; V318-Y322 HydrophobicContact CG1-CD2 3.57Å; V318-Y322 HydrophobicContact CG1-CE2 3.77Å; V318-Y322 WeakPolarHBondContact O-CB 3.49Å; V318-Y322 VanDerWaalsContact O-CD2 3.24Å; V318-Y322 WeakPolarHBondContact O-CD2 3.1Å; V318-Y322 PolarHBondContact O-N 3.3Å
319R97.9Very high96Very high55 Ų5541.2 Ų41.221%0.20824%0.241CC..Hα-helixtrans-56.4-45.9178.2-169179.5174.9-101.76.1112.5Y298 A299 Y301 I303 P315 S316 V317 F323Y298-R319 HydrophobicContact CE2-CG 3.87Å; Y298-R319 VanDerWaalsContact CE2-NH1 3.31Å; Y298-R319 VanDerWaalsContact O-CZ 3.26Å; Y298-R319 PolarHBondContact O-NH1 3.3Å; Y298-R319 PolarHBondContact O-NH2 3.34Å; Y298-R319 PolarHBondContact OH-NH1 3.47Å; A299-R319 PolarHBondContact O-NH2 3.23Å; Y301-R319 HydrophobicContact CD1-CG 4.04Å; Y301-R319 PolarHBondContact O-NE 3.34Å; Y301-R319 PolarHBondContact O-NH2 3.13Å; I303-R319 HydrophobicContact CD1-CB 4.03Å; I303-R319 HydrophobicContact CG1-CB 3.9Å; I303-R319 HydrophobicContact CG1-CG 3.97Å; P315-R319 WeakPolarHBondContact O-CB 3.32Å; P315-R319 PolarHBondContact O-N 3.1Å; S316-R319 PolarHBondContact O-N 3.29Å; V317-R319 VanDerWaalsContact C-N 3.34Å; V317-R319 PolarHBondContact O-N 3.26Å; R319-F323 WeakPolarHBondContact O-CB 3.26Å; R319-F323 PolarHBondContact O-N 2.89Å
320A98.5Very high96.1Very high0 Ų041 Ų410%025%0.245CC..Hα-helixtrans-63.8-48.6179.200000112.7I284 L291 Y298 S316 V317 V318 Y322 F323 I324I284-A320 HydrophobicContact CD1-CB 3.68Å; I284-A320 HydrophobicContact CG1-CB 3.75Å; L291-A320 HydrophobicContact CD2-CB 4.04Å; Y298-A320 HydrophobicContact CE2-CB 4.45Å; Y298-A320 PolarHBondContact OH-N 2.92Å; S316-A320 WeakPolarHBondContact O-CB 3.37Å; S316-A320 PolarHBondContact O-N 3.45Å; V317-A320 PolarHBondContact O-N 3.26Å; V318-A320 VanDerWaalsContact C-N 3.33Å; V318-A320 PolarHBondContact O-N 2.79Å; A320-Y322 VanDerWaalsContact C-N 3.34Å; A320-Y322 PolarHBondContact O-N 3.22Å; A320-F323 PolarHBondContact O-N 2.9Å; A320-I324 WeakPolarHBondContact O-CG1 3.45Å; A320-I324 PolarHBondContact O-N 3.37Å; A320-I324 VanDerWaalsContact O-N 3.08Å
321K98.3Very high96.4Very high7 Ų737.6 Ų37.63%0.0323%0.23CC..Hα-helixtrans-64.9-38.8-178.775.8-179.2-176.2-175.10111.8Q277 L280 E313 V317 V318 I324 R325 F346Q277-K321 VanDerWaalsContact OE1-CB 3.23Å; L280-K321 HydrophobicContact CD2-CB 3.93Å; E313-K321 WeakPolarHBondContact OE1-CE 3.43Å; E313-K321 IonicContact OE1-NZ 3.34Å; E313-K321 PolarHBondContact OE1-NZ 2.98Å; E313-K321 IonicContact OE2-NZ 3.28Å; E313-K321 PolarHBondContact OE2-NZ 3.48Å; V317-K321 PolarHBondContact O-N 3.28Å; V318-K321 WeakPolarHBondContact O-CG 3.35Å; V318-K321 PolarHBondContact O-N 2.95Å; K321-I324 PolarHBondContact O-N 3.28Å; K321-R325 WeakPolarHBondContact O-CB 3.47Å; K321-R325 PolarHBondContact O-N 3.06Å; K321-F346 HydrophobicContact CB-CD1 3.98Å; K321-F346 HydrophobicContact CB-CE1 3.6Å; K321-F346 HydrophobicContact CB-CZ 4.19Å; K321-F346 HydrophobicContact CD-CD1 4Å; K321-F346 HydrophobicContact CD-CD2 4.18Å; K321-F346 HydrophobicContact CD-CE1 4.01Å; K321-F346 HydrophobicContact CD-CE2 4.18Å; K321-F346 HydrophobicContact CD-CG 4.08Å; K321-F346 HydrophobicContact CD-CZ 4.09Å; K321-F346 HydrophobicContact CG-CD1 4.13Å; K321-F346 HydrophobicContact CG-CE1 3.67Å; K321-F346 HydrophobicContact CG-CE2 4.31Å; K321-F346 HydrophobicContact CG-CZ 3.76Å; K321-F346 WeakPolarHBondContact O-CE1 3.26Å
322Y98.6Very high96.6Very high7 Ų731.6 Ų31.63%0.02719%0.191CC..Hα-helixtrans-72.6-33.5178-82.8-85.9000113.1Y301 P304 A307 Q308 V318 A320 R325 G326 F346Y301-Y322 VanDerWaalsContact OH-C 3.27Å; Y301-Y322 PolarHBondContact OH-O 2.94Å; P304-Y322 HydrophobicContact CG-CD1 3.78Å; P304-Y322 HydrophobicContact CG-CG 4.32Å; A307-Y322 VanDerWaalsContact CA-CE1 3.5Å; A307-Y322 VanDerWaalsContact CA-CZ 3.48Å; A307-Y322 HydrophobicContact CB-CD1 3.94Å; A307-Y322 HydrophobicContact CB-CD2 4.02Å; A307-Y322 HydrophobicContact CB-CE1 3.74Å; A307-Y322 HydrophobicContact CB-CE2 3.81Å; A307-Y322 HydrophobicContact CB-CG 4.11Å; Q308-Y322 PolarHBondContact N-OH 3.47Å; Q308-Y322 PolarHBondContact O-OH 2.77Å; V318-Y322 HydrophobicContact CG1-CD2 3.57Å; V318-Y322 HydrophobicContact CG1-CE2 3.77Å; V318-Y322 WeakPolarHBondContact O-CB 3.49Å; V318-Y322 VanDerWaalsContact O-CD2 3.24Å; V318-Y322 WeakPolarHBondContact O-CD2 3.1Å; V318-Y322 PolarHBondContact O-N 3.3Å; A320-Y322 VanDerWaalsContact C-N 3.34Å; A320-Y322 PolarHBondContact O-N 3.22Å; Y322-R325 VanDerWaalsContact CE1-NH1 3.29Å; Y322-R325 WeakPolarHBondContact O-CB 3.27Å; Y322-R325 PolarHBondContact O-N 3.01Å; Y322-G326 PolarHBondContact O-N 3.16Å; Y322-F346 HydrophobicContact CD1-CE2 4.49Å; Y322-F346 HydrophobicContact CD1-CZ 4.21Å; Y322-F346 HydrophobicContact CD2-CE2 4.39Å; Y322-F346 HydrophobicContact CD2-CZ 4.19Å; Y322-F346 AromaticContact CE1-CE2 3.96Å; Y322-F346 HydrophobicContact CE1-CE2 3.96Å; Y322-F346 HydrophobicContact CE1-CZ 4.13Å; Y322-F346 AromaticContact CE2-CE2 3.88Å; Y322-F346 HydrophobicContact CE2-CE2 3.88Å; Y322-F346 HydrophobicContact CE2-CZ 4.14Å; Y322-F346 HydrophobicContact CG-CZ 4.21Å; Y322-F346 AromaticContact CZ-CE2 3.59Å
323F98.7Very high96.7Very high2 Ų232 Ų321%0.00918%0.177CC..Hα-helixtrans-57.8-53.9168.8169.3-102.8000110.9L291 F295 E297 Y298 Y301 R319 A320 R325 G326 E327L291-F323 HydrophobicContact CD2-CD1 3.82Å; L291-F323 HydrophobicContact CD2-CE1 4.35Å; L291-F323 HydrophobicContact CG-CD1 4.49Å; F295-F323 HydrophobicContact CB-CE1 3.72Å; F295-F323 HydrophobicContact CB-CZ 3.79Å; F295-F323 HydrophobicContact CD1-CE1 4.11Å; F295-F323 HydrophobicContact CD1-CZ 4.22Å; F295-F323 HydrophobicContact CG-CE1 4.01Å; F295-F323 HydrophobicContact CG-CZ 4.32Å; E297-F323 HydrophobicContact CB-CE2 4.05Å; E297-F323 HydrophobicContact CB-CZ 4.27Å; Y298-F323 HydrophobicContact CD2-CB 3.57Å; Y298-F323 AromaticContact CD2-CD1 3.76Å; Y298-F323 HydrophobicContact CD2-CD1 3.76Å; Y298-F323 AromaticContact CD2-CD2 3.86Å; Y298-F323 HydrophobicContact CD2-CD2 3.86Å; Y298-F323 HydrophobicContact CD2-CE1 4.43Å; Y298-F323 AromaticContact CD2-CG 3.43Å; Y298-F323 HydrophobicContact CD2-CG 3.43Å; Y298-F323 VanDerWaalsContact CD2-CG 3.43Å; Y298-F323 HydrophobicContact CE2-CB 3.79Å; Y298-F323 HydrophobicContact CE2-CG 4.16Å; Y298-F323 HydrophobicContact CG-CD1 4.32Å; Y298-F323 HydrophobicContact CG-CG 4.31Å; Y301-F323 HydrophobicContact CD1-CB 3.71Å; Y301-F323 HydrophobicContact CD1-CD2 4.3Å; Y301-F323 HydrophobicContact CD1-CG 4.48Å; Y301-F323 HydrophobicContact CD2-CB 4.41Å; Y301-F323 AromaticContact CD2-CD2 3.69Å; Y301-F323 HydrophobicContact CD2-CD2 3.69Å; Y301-F323 HydrophobicContact CE1-CB 3.76Å; Y301-F323 HydrophobicContact CE2-CB 4.46Å; Y301-F323 HydrophobicContact CE2-CD2 4.19Å; Y301-F323 HydrophobicContact CG-CB 4.04Å; Y301-F323 AromaticContact CG-CD2 3.73Å; Y301-F323 HydrophobicContact CG-CD2 3.73Å; Y301-F323 HydrophobicContact CG-CG 4.35Å; R319-F323 WeakPolarHBondContact O-CB 3.26Å; R319-F323 PolarHBondContact O-N 2.89Å; A320-F323 PolarHBondContact O-N 2.9Å; F323-R325 VanDerWaalsContact C-N 3.28Å; F323-R325 PolarHBondContact O-N 3.13Å; F323-G326 WeakPolarHBondContact O-CA 3.34Å; F323-G326 PolarHBondContact O-N 3.42Å; F323-E327 HydrophobicContact CE1-CG 4.09Å; F323-E327 HydrophobicContact CE2-CG 4.2Å; F323-E327 HydrophobicContact CZ-CG 3.88Å; F323-E327 PolarHBondContact O-N 3.45Å
324I98.7Very high96.5Very high1 Ų133.9 Ų33.91%0.00520%0.2CC..Hα-helixtrans-58.8-43.4179.5-62.8171.9000110S233 L249 L274 L280 A320 K321 G326 E327 F328S233-I324 WeakPolarHBondContact O-CD1 3.47Å; L249-I324 HydrophobicContact CD1-CG2 4.14Å; L249-I324 HydrophobicContact CD2-CD1 4.06Å; L249-I324 HydrophobicContact CD2-CG1 4.04Å; L249-I324 HydrophobicContact CD2-CG2 4.3Å; L274-I324 HydrophobicContact CD2-CG2 4.08Å; L280-I324 HydrophobicContact CD1-CD1 4.03Å; L280-I324 HydrophobicContact CD2-CD1 4.11Å; A320-I324 WeakPolarHBondContact O-CG1 3.45Å; A320-I324 PolarHBondContact O-N 3.37Å; A320-I324 VanDerWaalsContact O-N 3.08Å; K321-I324 PolarHBondContact O-N 3.28Å; I324-G326 VanDerWaalsContact C-N 3.29Å; I324-G326 PolarHBondContact O-N 2.88Å; I324-E327 PolarHBondContact O-N 3.34Å; I324-F328 HydrophobicContact CG2-CD2 4.31Å; I324-F328 HydrophobicContact CG2-CE2 4.06Å; I324-F328 WeakPolarHBondContact O-CD2 3.41Å; I324-F328 PolarHBondContact O-N 3.26Å
325R98.5Very high95.7Very high23 Ų2335.1 Ų35.19%0.08721%0.209CC..Hα-helixtrans-54.9-46.5172.8-173.8-168.371.9156.94.8111.6L274 P304 D306 K321 Y322 F323 E327 F328 L329 P344 F346L274-R325 HydrophobicContact CD1-CB 3.52Å; L274-R325 HydrophobicContact CD1-CG 3.84Å; P304-R325 VanDerWaalsContact CG-NH2 3.33Å; D306-R325 VanDerWaalsContact CG-NH2 3.27Å; D306-R325 IonicContact OD1-CZ 2.82Å; D306-R325 IonicContact OD1-NH1 3.87Å; D306-R325 IonicContact OD1-NH2 2.82Å; D306-R325 PolarHBondContact OD1-NH2 3.21Å; D306-R325 IonicContact OD2-CZ 3.61Å; D306-R325 VanDerWaalsContact OD2-CZ 3.27Å; D306-R325 IonicContact OD2-NH1 3.62Å; D306-R325 PolarHBondContact OD2-NH1 3.15Å; D306-R325 IonicContact OD2-NH2 2.76Å; D306-R325 PolarHBondContact OD2-NH2 3.19Å; K321-R325 WeakPolarHBondContact O-CB 3.47Å; K321-R325 PolarHBondContact O-N 3.06Å; Y322-R325 VanDerWaalsContact CE1-NH1 3.29Å; Y322-R325 WeakPolarHBondContact O-CB 3.27Å; Y322-R325 PolarHBondContact O-N 3.01Å; F323-R325 VanDerWaalsContact C-N 3.28Å; F323-R325 PolarHBondContact O-N 3.13Å; R325-E327 VanDerWaalsContact C-N 3.34Å; R325-E327 PolarHBondContact O-N 2.94Å; R325-F328 PolarHBondContact O-N 3.46Å; R325-L329 HydrophobicContact CG-CD1 3.95Å; R325-L329 HydrophobicContact CG-CG 4.24Å; R325-L329 WeakPolarHBondContact O-CG 3.24Å; R325-L329 PolarHBondContact O-N 3.42Å; R325-P344 HydrophobicContact CG-CB 3.86Å; R325-P344 HydrophobicContact CG-CG 4.19Å; R325-F346 HydrophobicContact CB-CE1 4.18Å; R325-F346 HydrophobicContact CB-CZ 4.04Å; R325-F346 HydrophobicContact CG-CZ 4.39Å
326G97.9Very high94.6Very high16 Ų1634.3 Ų34.317%0.16522%0.216CC..Hα-helixtrans-54.7-46.4178.200000112.6Y322 F323 I324 F328 L329 L330Y322-G326 PolarHBondContact O-N 3.16Å; F323-G326 WeakPolarHBondContact O-CA 3.34Å; F323-G326 PolarHBondContact O-N 3.42Å; I324-G326 VanDerWaalsContact C-N 3.29Å; I324-G326 PolarHBondContact O-N 2.88Å; G326-F328 VanDerWaalsContact C-N 3.33Å; G326-F328 PolarHBondContact O-N 2.91Å; G326-L329 PolarHBondContact O-N 3.02Å; G326-L330 WeakPolarHBondContact O-CG 3.42Å; G326-L330 PolarHBondContact O-N 3.21Å
327E98.1Very high93.6Very high45 Ų4535.3 Ų35.321%0.2122%0.218CC..Hα-helixtrans-58-42.3179.2-65.5-59.8106.100112.8L253 F323 I324 R325L253-E327 HydrophobicContact CD1-CB 4.08Å; L253-E327 HydrophobicContact CD2-CB 3.69Å; F323-E327 HydrophobicContact CE1-CG 4.09Å; F323-E327 HydrophobicContact CE2-CG 4.2Å; F323-E327 HydrophobicContact CZ-CG 3.88Å; F323-E327 PolarHBondContact O-N 3.45Å; I324-E327 PolarHBondContact O-N 3.34Å; R325-E327 VanDerWaalsContact C-N 3.34Å; R325-E327 PolarHBondContact O-N 2.94Å
328F98.1Very high92.5Very high0 Ų039.8 Ų39.80%025%0.249CC..Hα-helixtrans-70.9-38.2174.4-75.8-90000112.3F229 C231 L249 L253 F256 L272 L274 I324 R325 G326 L330 I331 S332F229-F328 HydrophobicContact CD1-CE1 4.47Å; F229-F328 AromaticContact CE1-CE1 3.93Å; F229-F328 HydrophobicContact CE1-CE1 3.93Å; C231-F328 HydrophobicContact CB-CE1 4.42Å; C231-F328 HydrophobicContact CB-CE2 4.28Å; C231-F328 HydrophobicContact CB-CZ 3.82Å; C231-F328 WeakPolarHBondContact SG-CZ 3.22Å; L249-F328 HydrophobicContact CD1-CE2 4.17Å; L249-F328 HydrophobicContact CD1-CZ 4.47Å; L253-F328 HydrophobicContact CD2-CD1 3.95Å; L253-F328 HydrophobicContact CD2-CD2 3.61Å; L253-F328 HydrophobicContact CD2-CE1 3.92Å; L253-F328 HydrophobicContact CD2-CE2 3.58Å; L253-F328 HydrophobicContact CD2-CG 3.78Å; L253-F328 HydrophobicContact CD2-CZ 3.71Å; L253-F328 HydrophobicContact CG-CE2 4.18Å; L253-F328 HydrophobicContact CG-CZ 4.07Å; F256-F328 HydrophobicContact CB-CD1 3.77Å; F256-F328 HydrophobicContact CB-CE1 3.6Å; F256-F328 AromaticContact CD1-CD1 3.71Å; F256-F328 HydrophobicContact CD1-CD1 3.71Å; F256-F328 HydrophobicContact CD1-CE1 4.43Å; F256-F328 AromaticContact CD2-CD1 3.89Å; F256-F328 HydrophobicContact CD2-CD1 3.89Å; F256-F328 HydrophobicContact CD2-CE1 4.27Å; F256-F328 HydrophobicContact CE1-CD1 4.25Å; F256-F328 HydrophobicContact CE2-CD1 4.39Å; F256-F328 AromaticContact CG-CD1 3.51Å; F256-F328 HydrophobicContact CG-CD1 3.51Å; F256-F328 AromaticContact CG-CE1 3.88Å; F256-F328 HydrophobicContact CG-CE1 3.88Å; L272-F328 HydrophobicContact CD1-CD1 3.93Å; L272-F328 HydrophobicContact CD1-CE1 4.27Å; L272-F328 HydrophobicContact CD1-CG 4.27Å; L272-F328 HydrophobicContact CD2-CB 3.36Å; L272-F328 HydrophobicContact CD2-CD1 4.05Å; L272-F328 HydrophobicContact CD2-CD2 4.35Å; L272-F328 HydrophobicContact CD2-CG 3.68Å; L274-F328 HydrophobicContact CD2-CD2 3.88Å; L274-F328 HydrophobicContact CD2-CE2 4.06Å; I324-F328 HydrophobicContact CG2-CD2 4.31Å; I324-F328 HydrophobicContact CG2-CE2 4.06Å; I324-F328 WeakPolarHBondContact O-CD2 3.41Å; I324-F328 PolarHBondContact O-N 3.26Å; R325-F328 PolarHBondContact O-N 3.46Å; G326-F328 VanDerWaalsContact C-N 3.33Å; G326-F328 PolarHBondContact O-N 2.91Å; F328-L330 VanDerWaalsContact C-N 3.34Å; F328-L330 PolarHBondContact O-N 3.23Å; F328-I331 WeakPolarHBondContact O-CB 3.49Å; F328-I331 PolarHBondContact O-N 3.46Å; F328-S332 PolarHBondContact O-N 3.14Å
329L96.2Very high91.4Very high40 Ų4048 Ų4821%0.20928%0.281CS..Hα-helixtrans-65.6-38.2179.6-72.2-177.6000112R325 G326 I331 S332 T333 C342 P344R325-L329 HydrophobicContact CG-CD1 3.95Å; R325-L329 HydrophobicContact CG-CG 4.24Å; R325-L329 WeakPolarHBondContact O-CG 3.24Å; R325-L329 PolarHBondContact O-N 3.42Å; G326-L329 PolarHBondContact O-N 3.02Å; L329-I331 PolarHBondContact O-N 3.35Å; L329-S332 WeakPolarHBondContact CA-OG 3.43Å; L329-S332 PolarHBondContact O-N 3.12Å; L329-S332 PolarHBondContact O-OG 3.43Å; L329-T333 WeakPolarHBondContact O-CG2 3.49Å; L329-T333 PolarHBondContact O-N 2.92Å; L329-T333 PolarHBondContact O-OG1 3.13Å; L329-C342 HydrophobicContact CD2-CB 4.47Å; L329-P344 HydrophobicContact CD2-CG 4.17Å
330L95.5Very high90.9Very high113 Ų11346 Ų4659%0.59227%0.273SS*.Hα-helixtrans-54-39.1173.3-73.8174.5000112.1G326 F328 A334G326-L330 WeakPolarHBondContact O-CG 3.42Å; G326-L330 PolarHBondContact O-N 3.21Å; F328-L330 VanDerWaalsContact C-N 3.34Å; F328-L330 PolarHBondContact O-N 3.23Å; L330-A334 PolarHBondContact O-N 3.4Å
331I95.6Very high90.5Very high30 Ų3049 Ų4915%0.15429%0.287CS..Hα-helixtrans-67-46.4175.7-63.5163.4000110.5L253 F256 K257 F328 L329 T333L253-I331 HydrophobicContact CB-CD1 4.19Å; L253-I331 HydrophobicContact CD2-CD1 3.92Å; L253-I331 WeakPolarHBondContact O-CD1 3.2Å; F256-I331 HydrophobicContact CD1-CB 4.08Å; F256-I331 HydrophobicContact CD1-CD1 4.04Å; F256-I331 HydrophobicContact CD1-CG2 3.85Å; F256-I331 HydrophobicContact CE1-CB 4.13Å; F256-I331 HydrophobicContact CE1-CG2 4.02Å; K257-I331 HydrophobicContact CB-CD1 4.27Å; K257-I331 HydrophobicContact CB-CG2 3.86Å; K257-I331 HydrophobicContact CG-CG2 3.98Å; F328-I331 WeakPolarHBondContact O-CB 3.49Å; F328-I331 PolarHBondContact O-N 3.46Å; L329-I331 PolarHBondContact O-N 3.35Å; I331-T333 PolarHBondContact O-N 3.19Å
332S93.4Very high90.3Very high10 Ų1049.7 Ų49.77%0.0729%0.293CS..Hα-helixtrans-72-27.2-174.864.90000114.3W260 F328 L329W260-S332 VanDerWaalsContact CE2-CA 3.46Å; W260-S332 WeakPolarHBondContact CZ2-O 3.3Å; F328-S332 PolarHBondContact O-N 3.14Å; L329-S332 WeakPolarHBondContact CA-OG 3.43Å; L329-S332 PolarHBondContact O-N 3.12Å; L329-S332 PolarHBondContact O-OG 3.43Å
333T91.6Very high90.1Very high94 Ų9452 Ų5258%0.57730%0.302SS*.Hα-helixtrans-93.7-9.4-177.758.20000113.5L329 I331 T335 G336L329-T333 WeakPolarHBondContact O-CG2 3.49Å; L329-T333 PolarHBondContact O-N 2.92Å; L329-T333 PolarHBondContact O-OG1 3.13Å; I331-T333 PolarHBondContact O-N 3.19Å; T333-T335 VanDerWaalsContact C-N 3.29Å; T333-T335 PolarHBondContact O-N 3.36Å; T333-G336 PolarHBondContact O-N 2.71Å
334A89Confident90Very high83 Ų8354 Ų5469%0.68632%0.315SS*.THydrogen-bonded Turntrans-61-30.9-176.100000114.5L330L330-A334 PolarHBondContact O-N 3.4Å
335T78.1Confident90Very high82 Ų8255.2 Ų55.250%0.50332%0.32SS..THydrogen-bonded Turntrans-91.7-16.9-176.454.70000114T333 D337T333-T335 VanDerWaalsContact C-N 3.29Å; T333-T335 PolarHBondContact O-N 3.36Å; T335-D337 PolarHBondContact O-N 3.43Å
336G72.7Confident89.9Confident66 Ų6655.9 Ų55.968%0.6832%0.324SS*.  trans62.314.7-177.400000115.5T333 S338T333-G336 PolarHBondContact O-N 2.71Å; G336-S338 PolarHBondContact O-N 3.5Å
337D74.7Confident90Very high63 Ų6355.1 Ų55.134%0.33732%0.316SS..  trans-71.9112.2-179.8-169-19.2000110.7T335 R339 H340T335-D337 PolarHBondContact O-N 3.43Å; D337-R339 PolarHBondContact O-N 3.35Å; D337-R339 VanDerWaalsContact O-N 3.12Å; D337-R339 WeakPolarHBondContact OD1-CB 3.44Å; D337-R339 PolarHBondContact OD1-N 2.99Å; D337-R339 IonicContact OD1-NE 3.95Å; D337-R339 IonicContact OD2-NH2 3.96Å; D337-H340 PolarHBondContact O-N 2.95Å
338S73.9Confident90Very high98 Ų9853.7 Ų53.769%0.68531%0.311SS*.THydrogen-bonded Turntrans-69.9-3.6-17961.90000114.4G336 H341G336-S338 PolarHBondContact O-N 3.5Å; S338-H341 PolarHBondContact O-CE1 3.49Å
339R76.4Confident89.9Confident174 Ų17453.9 Ų53.966%0.65731%0.313SS*.THydrogen-bonded Turntrans-98.5-16.5177.7-64176.2-65.1-174.2-0.7113.3D337D337-R339 PolarHBondContact O-N 3.35Å; D337-R339 VanDerWaalsContact O-N 3.12Å; D337-R339 WeakPolarHBondContact OD1-CB 3.44Å; D337-R339 PolarHBondContact OD1-N 2.99Å; D337-R339 IonicContact OD1-NE 3.95Å; D337-R339 IonicContact OD2-NH2 3.96Å
340H85.8Confident90Very high12 Ų1253.3 Ų53.36%0.05631%0.311CS..  trans-114.7107.9-174.5-166.355.2000109.9W260 L265 K266 I268 D337W260-H340 AromaticContact CD2-CD2 3.47Å; W260-H340 VanDerWaalsContact CD2-CD2 3.47Å; W260-H340 AromaticContact CD2-NE2 3.33Å; W260-H340 VanDerWaalsContact CD2-NE2 3.33Å; W260-H340 AromaticContact CE2-CD2 3.17Å; W260-H340 AromaticContact CE2-NE2 3.62Å; W260-H340 AromaticContact CE3-CD2 3.71Å; W260-H340 AromaticContact CE3-NE2 3.33Å; W260-H340 VanDerWaalsContact CE3-NE2 3.33Å; W260-H340 AromaticContact CG-NE2 3.9Å; W260-H340 HydrophobicContact CH2-CB 4.44Å; W260-H340 AromaticContact CH2-CD2 3.41Å; W260-H340 VanDerWaalsContact CH2-CD2 3.41Å; W260-H340 WeakPolarHBondContact CH2-CD2 3.3Å; W260-H340 AromaticContact CH2-CG 3.87Å; W260-H340 AromaticContact CH2-NE2 3.87Å; W260-H340 WeakPolarHBondContact CH2-O 3.24Å; W260-H340 HydrophobicContact CZ2-CB 4.32Å; W260-H340 AromaticContact CZ2-CD2 3.16Å; W260-H340 WeakPolarHBondContact CZ2-CD2 3.23Å; W260-H340 AromaticContact CZ2-CG 3.89Å; W260-H340 AromaticContact CZ2-NE2 3.89Å; W260-H340 AromaticContact CZ3-CD2 3.67Å; W260-H340 AromaticContact CZ3-NE2 3.6Å; W260-H340 AromaticContact NE1-CD2 3.78Å; W260-H340 PolarHBondContact O-NE2 3.02Å; L265-H340 PolarHBondContact O-CE1 2.85Å; L265-H340 VanDerWaalsContact O-CE1 3.3Å; K266-H340 PolarHBondContact O-ND1 3.31Å; I268-H340 PolarHBondContact O-CE1 3Å; I268-H340 PolarHBondContact O-ND1 3.43Å; D337-H340 PolarHBondContact O-N 2.95Å
341H90Very high90.1Very high64 Ų6451.3 Ų51.330%0.29630%0.3SS..  trans-112.3143.7-171.1-62.783.1000111.8S269 V270 S338 Y343S269-H341 WeakPolarHBondContact CA-O 3.39Å; V270-H341 PolarHBondContact N-O 3.45Å; S338-H341 PolarHBondContact O-CE1 3.49Å; H341-Y343 HydrophobicContact CB-CD2 4.37Å; H341-Y343 HydrophobicContact CB-CE1 4.33Å; H341-Y343 HydrophobicContact CB-CE2 3.57Å; H341-Y343 WeakPolarHBondContact CB-OH 3.42Å
342C94.2Very high90.2Very high21 Ų2151.5 Ų51.514%0.14230%0.303CS..EExtended strand (participates in β ladder)trans-108.8126.7170.5-174.90000109.5W260 V270 L329 P344W260-C342 HydrophobicContact CH2-CB 3.9Å; W260-C342 HydrophobicContact CZ3-CB 3.72Å; V270-C342 CarbonylContact O-C 3.56Å; V270-C342 VanDerWaalsContact O-CA 3.29Å; V270-C342 WeakPolarHBondContact O-CA 3.25Å; L329-C342 HydrophobicContact CD2-CB 4.47Å; C342-P344 WeakPolarHBondContact O-CD 3.43Å
343Y94.9Very high90.4Very high55 Ų5556 Ų5622%0.21632%0.323CS..EExtended strand (participates in β ladder)trans-115.195.8179.5-58.2-79.7000109.8V270 L272 H341 H345 I365 I369V270-Y343 PolarHBondContact O-N 3Å; L272-Y343 PolarHBondContact N-O 2.94Å; H341-Y343 HydrophobicContact CB-CD2 4.37Å; H341-Y343 HydrophobicContact CB-CE1 4.33Å; H341-Y343 HydrophobicContact CB-CE2 3.57Å; H341-Y343 WeakPolarHBondContact CB-OH 3.42Å; Y343-H345 PolarHBondContact O-CD2 2.85Å; Y343-I365 HydrophobicContact CD1-CD1 3.84Å; Y343-I365 HydrophobicContact CD1-CG1 4.41Å; Y343-I365 HydrophobicContact CD1-CG2 4.27Å; Y343-I365 HydrophobicContact CD2-CD1 4.5Å; Y343-I365 HydrophobicContact CD2-CG2 3.62Å; Y343-I365 HydrophobicContact CE1-CD1 4.49Å; Y343-I365 HydrophobicContact CE1-CG2 4.16Å; Y343-I365 HydrophobicContact CE2-CG2 3.47Å; Y343-I365 VanDerWaalsContact CE2-CG2 3.47Å; Y343-I365 HydrophobicContact CG-CD1 3.84Å; Y343-I365 HydrophobicContact CG-CG2 4.01Å; Y343-I369 HydrophobicContact CE2-CD1 4.34Å
344P96.9Very high90.6Very high43 Ų4352.6 Ų52.628%0.27930%0.301SS..EExtended strand (participates in β ladder)trans-78.1132.8-177.830.9-34.9000112.3L272 R325 L329 C342L272-P344 HydrophobicContact CD2-CB 4.34Å; L272-P344 CarbonylContact O-C 3.57Å; L272-P344 WeakPolarHBondContact O-CA 3.49Å; R325-P344 HydrophobicContact CG-CB 3.86Å; R325-P344 HydrophobicContact CG-CG 4.19Å; L329-P344 HydrophobicContact CD2-CG 4.17Å; C342-P344 WeakPolarHBondContact O-CD 3.43Å
345H97.8Very high91Very high28 Ų2848.8 Ų48.813%0.1327%0.269CS..EExtended strand (participates in β ladder)trans-130.6132.5172.1-64.9-92.1000110.2L272 F273 L274 Y343 T347 V358L272-H345 PolarHBondContact O-N 3.12Å; F273-H345 HydrophobicContact CD1-CB 4.09Å; F273-H345 HydrophobicContact CE1-CB 4.24Å; L274-H345 PolarHBondContact N-O 3.29Å; Y343-H345 PolarHBondContact O-CD2 2.85Å; H345-T347 HydrophobicContact CB-CG2 4.32Å; H345-V358 HydrophobicContact CB-CG1 3.66Å; H345-V358 HydrophobicContact CB-CG2 4.39Å
346F98Very high91.9Very high36 Ų3649.9 Ų49.916%0.15826%0.264CS..EExtended strand (participates in β ladder)trans-79.2122.9169.9-62.3-63.5000109.2L274 Q277 K321 Y322 R325L274-F346 HydrophobicContact CB-CD1 3.93Å; L274-F346 HydrophobicContact CB-CE1 4.36Å; L274-F346 HydrophobicContact CD1-CD1 3.88Å; L274-F346 HydrophobicContact CD1-CE1 3.5Å; L274-F346 HydrophobicContact CD1-CZ 4.33Å; Q277-F346 HydrophobicContact CG-CB 4.05Å; K321-F346 HydrophobicContact CB-CD1 3.98Å; K321-F346 HydrophobicContact CB-CE1 3.6Å; K321-F346 HydrophobicContact CB-CZ 4.19Å; K321-F346 HydrophobicContact CD-CD1 4Å; K321-F346 HydrophobicContact CD-CD2 4.18Å; K321-F346 HydrophobicContact CD-CE1 4.01Å; K321-F346 HydrophobicContact CD-CE2 4.18Å; K321-F346 HydrophobicContact CD-CG 4.08Å; K321-F346 HydrophobicContact CD-CZ 4.09Å; K321-F346 HydrophobicContact CG-CD1 4.13Å; K321-F346 HydrophobicContact CG-CE1 3.67Å; K321-F346 HydrophobicContact CG-CE2 4.31Å; K321-F346 HydrophobicContact CG-CZ 3.76Å; K321-F346 WeakPolarHBondContact O-CE1 3.26Å; Y322-F346 HydrophobicContact CD1-CE2 4.49Å; Y322-F346 HydrophobicContact CD1-CZ 4.21Å; Y322-F346 HydrophobicContact CD2-CE2 4.39Å; Y322-F346 HydrophobicContact CD2-CZ 4.19Å; Y322-F346 AromaticContact CE1-CE2 3.96Å; Y322-F346 HydrophobicContact CE1-CE2 3.96Å; Y322-F346 HydrophobicContact CE1-CZ 4.13Å; Y322-F346 AromaticContact CE2-CE2 3.88Å; Y322-F346 HydrophobicContact CE2-CE2 3.88Å; Y322-F346 HydrophobicContact CE2-CZ 4.14Å; Y322-F346 HydrophobicContact CG-CZ 4.21Å; Y322-F346 AromaticContact CZ-CE2 3.59Å; R325-F346 HydrophobicContact CB-CE1 4.18Å; R325-F346 HydrophobicContact CB-CZ 4.04Å; R325-F346 HydrophobicContact CG-CZ 4.39Å
347T98.3Very high92.9Very high1 Ų151.7 Ų51.71%0.00625%0.251CS..  trans-128.6148.7-17251.20000113.2F273 L274 N275 K276 Q277 H345 N354 I355 V358F273-T347 HydrophobicContact CB-CG2 4.2Å; F273-T347 HydrophobicContact CD1-CG2 4.04Å; F273-T347 HydrophobicContact CD2-CG2 3.93Å; F273-T347 HydrophobicContact CE1-CG2 4.39Å; F273-T347 HydrophobicContact CE2-CG2 4.31Å; F273-T347 HydrophobicContact CG-CG2 3.8Å; L274-T347 PolarHBondContact O-N 2.77Å; L274-T347 PolarHBondContact O-OG1 3.04Å; N275-T347 CarbonylContact C-O 3.53Å; N275-T347 VanDerWaalsContact CA-O 3.27Å; N275-T347 WeakPolarHBondContact CA-O 3.46Å; N275-T347 WeakPolarHBondContact CA-OG1 3.5Å; N275-T347 WeakPolarHBondContact CB-OG1 3.47Å; N275-T347 PolarHBondContact N-OG1 3.2Å; N275-T347 PolarHBondContact OD1-O 3.2Å; K276-T347 PolarHBondContact N-O 3.33Å; K276-T347 VanDerWaalsContact N-O 3.12Å; Q277-T347 WeakPolarHBondContact CG-O 3.37Å; Q277-T347 PolarHBondContact N-O 2.76Å; H345-T347 HydrophobicContact CB-CG2 4.32Å; T347-N354 VanDerWaalsContact CA-OD1 3.25Å; T347-N354 WeakPolarHBondContact CA-OD1 3.43Å; T347-I355 HydrophobicContact CG2-CD1 4.22Å; T347-V358 HydrophobicContact CG2-CB 4.28Å; T347-V358 HydrophobicContact CG2-CG1 3.83Å; T347-V358 HydrophobicContact CG2-CG2 4.08Å
348C97.9Very high93.8Very high15 Ų1548.8 Ų48.810%0.10124%0.235CC..  trans-125.497.3164.8-178.70000106.9V350 D351 N354C348-V350 PolarHBondContact O-N 3.02Å; C348-V350 VanDerWaalsContact O-N 3.09Å; C348-V350 VanDerWaalsContact SG-CG2 3.51Å; C348-D351 HydrophobicContact CB-CB 3.87Å; C348-D351 WeakPolarHBondContact O-CA 3.42Å; C348-D351 WeakPolarHBondContact O-CB 3.48Å; C348-D351 PolarHBondContact O-N 3.28Å; C348-N354 PolarHBondContact N-OD1 2.88Å
349A97.9Very high94.7Very high4 Ų444.3 Ų44.33%0.03320%0.203CC..THydrogen-bonded Turntrans-62.3-20.9-173.200000114T53 I54 Q57 N275 D351T53-A349 HydrophobicContact CG2-CB 3.71Å; T53-A349 WeakPolarHBondContact CG2-O 3.41Å; I54-A349 HydrophobicContact CG1-CB 4.09Å; Q57-A349 VanDerWaalsContact CG-O 3.23Å; Q57-A349 WeakPolarHBondContact CG-O 3.42Å; Q57-A349 PolarHBondContact NE2-O 2.94Å; N275-A349 WeakPolarHBondContact OD1-CB 3.32Å; N275-A349 PolarHBondContact OD1-N 3.45Å; A349-D351 VanDerWaalsContact C-N 3.31Å
350V97.3Very high95.5Very high27 Ų2739.1 Ų39.116%0.16419%0.188CC..THydrogen-bonded Turntrans-87.90.8174.8-60.60000113T53 Q178 L181 R182 C348T53-V350 HydrophobicContact CG2-CG1 4.14Å; Q178-V350 PolarHBondContact OE1-O 3.07Å; L181-V350 HydrophobicContact CB-CG1 4.5Å; R182-V350 HydrophobicContact CG-CG1 3.96Å; C348-V350 PolarHBondContact O-N 3.02Å; C348-V350 VanDerWaalsContact O-N 3.09Å; C348-V350 VanDerWaalsContact SG-CG2 3.51Å
351D97.7Very high95.7Very high71 Ų7141.6 Ų41.638%0.3820%0.202SC..  trans-106.1108.7172.7178.9-15.2000109.3C348 A349 E353 N354 I355C348-D351 HydrophobicContact CB-CB 3.87Å; C348-D351 WeakPolarHBondContact O-CA 3.42Å; C348-D351 WeakPolarHBondContact O-CB 3.48Å; C348-D351 PolarHBondContact O-N 3.28Å; A349-D351 VanDerWaalsContact C-N 3.31Å; D351-E353 VanDerWaalsContact C-N 3.32Å; D351-E353 PolarHBondContact O-N 3.41Å; D351-E353 PolarHBondContact OD1-N 3.37Å; D351-N354 HydrophobicContact CB-CB 3.82Å; D351-N354 PolarHBondContact O-N 3.11Å; D351-N354 PolarHBondContact OD1-N 2.97Å; D351-I355 PolarHBondContact O-N 2.87Å; D351-I355 VanDerWaalsContact O-N 3.08Å
352T97.6Very high95.7Very high34 Ų3438.6 Ų38.621%0.20919%0.188CC..Hα-helixtrans-65.5-33-176.5-53.40000112.7Q57 I60 L61 R356Q57-T352 PolarHBondContact NE2-OG1 3.18Å; Q57-T352 PolarHBondContact OE1-OG1 2.65Å; I60-T352 HydrophobicContact CG2-CG2 4.27Å; L61-T352 HydrophobicContact CD2-CG2 3.67Å; L61-T352 HydrophobicContact CG-CG2 4.24Å; T352-R356 VanDerWaalsContact O-CB 3.3Å; T352-R356 WeakPolarHBondContact O-CB 3.45Å; T352-R356 PolarHBondContact O-N 3.01Å
353E96.8Very high95.4Very high106 Ų10639.6 Ų39.650%0.49519%0.189SC..Hα-helixtrans-73.8-42.8178.1-177.355.6-140.600110.8D351 I355 R356 R357D351-E353 VanDerWaalsContact C-N 3.32Å; D351-E353 PolarHBondContact O-N 3.41Å; D351-E353 PolarHBondContact OD1-N 3.37Å; E353-I355 VanDerWaalsContact C-N 3.33Å; E353-I355 PolarHBondContact O-N 3.38Å; E353-R356 PolarHBondContact O-N 3.25Å; E353-R356 IonicContact OE2-CZ 2.65Å; E353-R356 IonicContact OE2-NH1 3.86Å; E353-R356 PolarHBondContact OE2-NH1 2.96Å; E353-R357 PolarHBondContact O-N 3.16Å
354N96.6Very high94.9Very high22 Ų2240.6 Ų40.612%0.11820%0.198CC..Hα-helixtrans-55.9-48.4173.9178-92.1000111.4T347 C348 D351 R357 V358T347-N354 VanDerWaalsContact CA-OD1 3.25Å; T347-N354 WeakPolarHBondContact CA-OD1 3.43Å; C348-N354 PolarHBondContact N-OD1 2.88Å; D351-N354 HydrophobicContact CB-CB 3.82Å; D351-N354 PolarHBondContact O-N 3.11Å; D351-N354 PolarHBondContact OD1-N 2.97Å; N354-R357 PolarHBondContact O-N 3.16Å; N354-V358 WeakPolarHBondContact O-CB 3.32Å; N354-V358 WeakPolarHBondContact O-CG2 3.32Å; N354-V358 PolarHBondContact O-N 3.26Å
355I97.6Very high94.4Very high2 Ų239.9 Ų39.91%0.0119%0.191CC..Hα-helixtrans-68.2-37.6179.9-66.4-57000112.2Q57 M58 L61 T347 D351 E353 F359Q57-I355 HydrophobicContact CB-CB 4.34Å; Q57-I355 HydrophobicContact CB-CG2 3.71Å; Q57-I355 HydrophobicContact CG-CB 4.28Å; Q57-I355 HydrophobicContact CG-CG1 4.15Å; Q57-I355 HydrophobicContact CG-CG2 4.15Å; M58-I355 HydrophobicContact CE-CG2 3.62Å; L61-I355 HydrophobicContact CD1-CG2 4.27Å; T347-I355 HydrophobicContact CG2-CD1 4.22Å; D351-I355 PolarHBondContact O-N 2.87Å; D351-I355 VanDerWaalsContact O-N 3.08Å; E353-I355 VanDerWaalsContact C-N 3.33Å; E353-I355 PolarHBondContact O-N 3.38Å; I355-F359 WeakPolarHBondContact O-CB 3.44Å; I355-F359 PolarHBondContact O-N 2.82Å
356R96.2Very high93.7Very high106 Ų10638.6 Ų38.640%0.419%0.186SC..Hα-helixtrans-57.2-50.7173.2179.6-176-65.7133.12111.3L61 T352 E353 N360L61-R356 HydrophobicContact CD1-CB 4.12Å; L61-R356 HydrophobicContact CD2-CB 4.18Å; L61-R356 HydrophobicContact CD2-CG 4.49Å; L61-R356 VanDerWaalsContact CD2-NH2 3.3Å; T352-R356 VanDerWaalsContact O-CB 3.3Å; T352-R356 WeakPolarHBondContact O-CB 3.45Å; T352-R356 PolarHBondContact O-N 3.01Å; E353-R356 PolarHBondContact O-N 3.25Å; E353-R356 IonicContact OE2-CZ 2.65Å; E353-R356 IonicContact OE2-NH1 3.86Å; E353-R356 PolarHBondContact OE2-NH1 2.96Å; R356-N360 VanDerWaalsContact O-CG 3.29Å; R356-N360 PolarHBondContact O-N 3.44Å; R356-N360 VanDerWaalsContact O-N 3.09Å; R356-N360 PolarHBondContact O-ND2 3.43Å
357R94.7Very high92.9Very high104 Ų10440.1 Ų40.139%0.39219%0.193SC..Hα-helixtrans-61.3-52.3179-178.5177.164.185.1-12.7111.7E310 E353 N354 F359 N360 D361E310-R357 IonicContact OE1-NH2 3.96Å; E353-R357 PolarHBondContact O-N 3.16Å; N354-R357 PolarHBondContact O-N 3.16Å; R357-F359 VanDerWaalsContact C-N 3.3Å; R357-F359 PolarHBondContact O-N 3.01Å; R357-N360 WeakPolarHBondContact O-CB 3.5Å; R357-N360 PolarHBondContact O-N 3.41Å; R357-D361 IonicContact NH1-OD2 2.74Å; R357-D361 PolarHBondContact O-N 2.78Å; R357-D361 VanDerWaalsContact O-N 3.09Å
358V93.7Very high92Very high1 Ų147.8 Ų47.81%0.00622%0.222CC..Hα-helixtrans-63.2-38.4-177.7170.90000111.3F273 H345 T347 N354 D361 C362F273-V358 HydrophobicContact CD1-CG1 4.3Å; F273-V358 HydrophobicContact CE1-CG1 3.47Å; F273-V358 VanDerWaalsContact CE1-CG1 3.47Å; F273-V358 HydrophobicContact CE2-CG1 4.44Å; F273-V358 HydrophobicContact CZ-CG1 3.58Å; H345-V358 HydrophobicContact CB-CG1 3.66Å; H345-V358 HydrophobicContact CB-CG2 4.39Å; T347-V358 HydrophobicContact CG2-CB 4.28Å; T347-V358 HydrophobicContact CG2-CG1 3.83Å; T347-V358 HydrophobicContact CG2-CG2 4.08Å; N354-V358 WeakPolarHBondContact O-CB 3.32Å; N354-V358 WeakPolarHBondContact O-CG2 3.32Å; N354-V358 PolarHBondContact O-N 3.26Å; V358-D361 PolarHBondContact O-N 2.71Å; V358-C362 WeakPolarHBondContact O-CB 3.31Å; V358-C362 PolarHBondContact O-N 3.43Å; V358-C362 PolarHBondContact O-SG 3.49Å
359F93Very high91Very high5 Ų547.7 Ų47.72%0.02222%0.22CC..Hα-helixtrans-67.3-36.5177.6-170-98.9000112.4L41 M58 F195 V197 F202 M204 I355 R357 C362 R363L41-F359 HydrophobicContact CD1-CE2 4.09Å; L41-F359 HydrophobicContact CD1-CZ 4.46Å; M58-F359 HydrophobicContact CE-CB 4.25Å; M58-F359 HydrophobicContact CE-CD2 4.01Å; M58-F359 HydrophobicContact CE-CG 4.03Å; M58-F359 HydrophobicContact SD-CD1 4.27Å; M58-F359 HydrophobicContact SD-CD2 3.74Å; M58-F359 HydrophobicContact SD-CE1 4.27Å; M58-F359 HydrophobicContact SD-CE2 3.74Å; M58-F359 HydrophobicContact SD-CG 4.02Å; M58-F359 HydrophobicContact SD-CZ 4.02Å; F195-F359 AromaticContact CE2-CE1 3.93Å; F195-F359 HydrophobicContact CE2-CE1 3.93Å; F195-F359 HydrophobicContact CE2-CE2 4.39Å; F195-F359 AromaticContact CE2-CZ 3.55Å; F195-F359 HydrophobicContact CE2-CZ 3.55Å; F195-F359 HydrophobicContact CZ-CE1 4.48Å; F195-F359 HydrophobicContact CZ-CE2 4.13Å; F195-F359 AromaticContact CZ-CZ 3.7Å; F195-F359 HydrophobicContact CZ-CZ 3.7Å; V197-F359 HydrophobicContact CG2-CE1 4.12Å; F202-F359 HydrophobicContact CD1-CZ 4.25Å; F202-F359 HydrophobicContact CD2-CZ 4.42Å; F202-F359 HydrophobicContact CE1-CZ 4.17Å; F202-F359 HydrophobicContact CE2-CE1 4.46Å; F202-F359 HydrophobicContact CE2-CZ 4.36Å; F202-F359 HydrophobicContact CG-CZ 4.37Å; F202-F359 HydrophobicContact CZ-CZ 4.23Å; M204-F359 HydrophobicContact CE-CE2 4.41Å; I355-F359 WeakPolarHBondContact O-CB 3.44Å; I355-F359 PolarHBondContact O-N 2.82Å; R357-F359 VanDerWaalsContact C-N 3.3Å; R357-F359 PolarHBondContact O-N 3.01Å; F359-C362 WeakPolarHBondContact O-CB 3.21Å; F359-C362 PolarHBondContact O-N 3.15Å; F359-R363 PolarHBondContact O-N 2.93Å
360N92.2Very high89.8Confident64 Ų6449.2 Ų49.234%0.34223%0.227SC..Hα-helixtrans-61.5-44.5172.5-72.6-22.9000111.6R356 R357 C362 R363 D364R356-N360 VanDerWaalsContact O-CG 3.29Å; R356-N360 PolarHBondContact O-N 3.44Å; R356-N360 VanDerWaalsContact O-N 3.09Å; R356-N360 PolarHBondContact O-ND2 3.43Å; R357-N360 WeakPolarHBondContact O-CB 3.5Å; R357-N360 PolarHBondContact O-N 3.41Å; N360-C362 VanDerWaalsContact C-N 3.32Å; N360-C362 PolarHBondContact O-N 3.37Å; N360-R363 WeakPolarHBondContact O-CB 3.41Å; N360-R363 PolarHBondContact O-N 3.31Å; N360-D364 PolarHBondContact O-N 3.44Å
361D90.4Very high88.7Confident65 Ų6551.1 Ų51.135%0.34824%0.236SC..Hα-helixtrans-61.1-42.3175-61.6-21.4000111.3R357 V358 R363 D364 I365R357-D361 IonicContact NH1-OD2 2.74Å; R357-D361 PolarHBondContact O-N 2.78Å; R357-D361 VanDerWaalsContact O-N 3.09Å; V358-D361 PolarHBondContact O-N 2.71Å; D361-R363 VanDerWaalsContact C-N 3.32Å; D361-R363 PolarHBondContact O-N 2.97Å; D361-D364 PolarHBondContact O-N 2.71Å; D361-I365 WeakPolarHBondContact O-CG1 3.21Å; D361-I365 PolarHBondContact O-N 3.25Å
362C90Very high87.4Confident0 Ų054.5 Ų54.50%024%0.243CC..Hα-helixtrans-63.6-36.9177.4-690000112.3I271 V358 F359 N360 D364 I365 I366I271-C362 HydrophobicContact CD1-CB 3.98Å; I271-C362 WeakPolarHBondContact CG2-SG 3.46Å; V358-C362 WeakPolarHBondContact O-CB 3.31Å; V358-C362 PolarHBondContact O-N 3.43Å; V358-C362 PolarHBondContact O-SG 3.49Å; F359-C362 WeakPolarHBondContact O-CB 3.21Å; F359-C362 PolarHBondContact O-N 3.15Å; N360-C362 VanDerWaalsContact C-N 3.32Å; N360-C362 PolarHBondContact O-N 3.37Å; C362-D364 VanDerWaalsContact C-N 3.32Å; C362-D364 PolarHBondContact O-N 3.13Å; C362-I365 WeakPolarHBondContact O-CB 3.26Å; C362-I365 PolarHBondContact O-N 2.8Å; C362-I366 HydrophobicContact CB-CD1 4.35Å; C362-I366 WeakPolarHBondContact O-CB 3.31Å; C362-I366 WeakPolarHBondContact O-CD1 3.27Å; C362-I366 WeakPolarHBondContact O-CG1 3.49Å; C362-I366 PolarHBondContact O-N 3.26Å
363R87.7Confident86Confident43 Ų4357.4 Ų57.416%0.16225%0.254CS..Hα-helixtrans-59.6-44.4179-177.2-176.971.4-179.93.6111.2D198 F202 F359 N360 D361 I365 I366 Q367D198-R363 IonicContact OD2-CZ 2.59Å; D198-R363 IonicContact OD2-NH1 3.71Å; D198-R363 PolarHBondContact OD2-NH1 3.45Å; D198-R363 IonicContact OD2-NH2 2.61Å; F202-R363 HydrophobicContact CZ-CG 4.21Å; F359-R363 PolarHBondContact O-N 2.93Å; N360-R363 WeakPolarHBondContact O-CB 3.41Å; N360-R363 PolarHBondContact O-N 3.31Å; D361-R363 VanDerWaalsContact C-N 3.32Å; D361-R363 PolarHBondContact O-N 2.97Å; R363-I365 VanDerWaalsContact C-N 3.27Å; R363-I365 PolarHBondContact O-N 3.48Å; R363-I366 PolarHBondContact O-N 2.92Å; R363-Q367 HydrophobicContact CG-CG 4.38Å; R363-Q367 WeakPolarHBondContact O-CB 3.24Å; R363-Q367 VanDerWaalsContact O-CG 3.32Å; R363-Q367 WeakPolarHBondContact O-CG 3.15Å; R363-Q367 PolarHBondContact O-N 2.99Å
364D85.4Confident84.6Confident76 Ų7657.5 Ų57.541%0.40625%0.251SS..Hα-helixtrans-63.9-36.5179-69.1-3000111.3N360 D361 C362 R368N360-D364 PolarHBondContact O-N 3.44Å; D361-D364 PolarHBondContact O-N 2.71Å; C362-D364 VanDerWaalsContact C-N 3.32Å; C362-D364 PolarHBondContact O-N 3.13Å; D364-R368 VanDerWaalsContact O-CG 3.24Å; D364-R368 WeakPolarHBondContact O-CG 3.29Å; D364-R368 PolarHBondContact O-N 2.84Å; D364-R368 VanDerWaalsContact O-N 3.12Å
365I84.9Confident83Confident27 Ų2765 Ų6514%0.13829%0.285CS..Hα-helixtrans-65.6-49.1173.5-63.4167.8000110.5Y343 D361 C362 R363 Q367 R368 I369Y343-I365 HydrophobicContact CD1-CD1 3.84Å; Y343-I365 HydrophobicContact CD1-CG1 4.41Å; Y343-I365 HydrophobicContact CD1-CG2 4.27Å; Y343-I365 HydrophobicContact CD2-CD1 4.5Å; Y343-I365 HydrophobicContact CD2-CG2 3.62Å; Y343-I365 HydrophobicContact CE1-CD1 4.49Å; Y343-I365 HydrophobicContact CE1-CG2 4.16Å; Y343-I365 HydrophobicContact CE2-CG2 3.47Å; Y343-I365 VanDerWaalsContact CE2-CG2 3.47Å; Y343-I365 HydrophobicContact CG-CD1 3.84Å; Y343-I365 HydrophobicContact CG-CG2 4.01Å; D361-I365 WeakPolarHBondContact O-CG1 3.21Å; D361-I365 PolarHBondContact O-N 3.25Å; C362-I365 WeakPolarHBondContact O-CB 3.26Å; C362-I365 PolarHBondContact O-N 2.8Å; R363-I365 VanDerWaalsContact C-N 3.27Å; R363-I365 PolarHBondContact O-N 3.48Å; I365-Q367 VanDerWaalsContact C-N 3.34Å; I365-Q367 PolarHBondContact O-N 3.38Å; I365-R368 PolarHBondContact O-N 3.18Å; I365-I369 HydrophobicContact CG2-CD1 3.67Å; I365-I369 HydrophobicContact CG2-CG1 4.39Å; I365-I369 WeakPolarHBondContact O-CD1 3.27Å; I365-I369 VanDerWaalsContact O-CG1 3.26Å; I365-I369 WeakPolarHBondContact O-CG1 3.25Å; I365-I369 PolarHBondContact O-N 2.73Å
366I84.5Confident81Confident1 Ų170.6 Ų70.61%0.00532%0.315CS..Hα-helixtrans-61.3-43-179.4-68.6158.2000110.8H39 L41 F202 T225 A226 I271 C362 R363 I369 H370H39-I366 HydrophobicContact CB-CG2 4.08Å; L41-I366 HydrophobicContact CD1-CD1 4.26Å; L41-I366 HydrophobicContact CD2-CD1 3.7Å; L41-I366 HydrophobicContact CD2-CG1 4.27Å; F202-I366 HydrophobicContact CE1-CD1 4.35Å; F202-I366 HydrophobicContact CE1-CG2 4.46Å; T225-I366 HydrophobicContact CG2-CG2 3.96Å; A226-I366 HydrophobicContact CB-CG1 4.24Å; I271-I366 HydrophobicContact CD1-CD1 4.03Å; I271-I366 HydrophobicContact CD1-CG1 3.95Å; C362-I366 HydrophobicContact CB-CD1 4.35Å; C362-I366 WeakPolarHBondContact O-CB 3.31Å; C362-I366 WeakPolarHBondContact O-CD1 3.27Å; C362-I366 WeakPolarHBondContact O-CG1 3.49Å; C362-I366 PolarHBondContact O-N 3.26Å; R363-I366 PolarHBondContact O-N 2.92Å; I366-I369 PolarHBondContact O-N 3.42Å; I366-H370 WeakPolarHBondContact O-CB 3.42Å; I366-H370 PolarHBondContact O-N 3.38Å
367Q80.8Confident78.7Confident68 Ų6873.1 Ų73.132%0.31834%0.335SS..Hα-helixtrans-62.4-44.4176.5-74.8178.4-3.500111.5R363 I365 I369 H370 L371R363-Q367 HydrophobicContact CG-CG 4.38Å; R363-Q367 WeakPolarHBondContact O-CB 3.24Å; R363-Q367 VanDerWaalsContact O-CG 3.32Å; R363-Q367 WeakPolarHBondContact O-CG 3.15Å; R363-Q367 PolarHBondContact O-N 2.99Å; I365-Q367 VanDerWaalsContact C-N 3.34Å; I365-Q367 PolarHBondContact O-N 3.38Å; Q367-I369 PolarHBondContact O-N 3.36Å; Q367-H370 PolarHBondContact O-N 3.32Å; Q367-L371 VanDerWaalsContact O-CG 3.31Å; Q367-L371 WeakPolarHBondContact O-CG 3.19Å; Q367-L371 PolarHBondContact O-N 3.01Å
368R79.8Confident77.9Confident163 Ų16371.6 Ų71.662%0.61533%0.332SS*.Hα-helixtrans-62.3-41.3175.2-72.4171.9-174.3-168.14.2112.3D364 I365 R372D364-R368 VanDerWaalsContact O-CG 3.24Å; D364-R368 WeakPolarHBondContact O-CG 3.29Å; D364-R368 PolarHBondContact O-N 2.84Å; D364-R368 VanDerWaalsContact O-N 3.12Å; I365-R368 PolarHBondContact O-N 3.18Å; R368-R372 WeakPolarHBondContact O-CG 2.99Å; R368-R372 PolarHBondContact O-N 3.36Å; R368-R372 VanDerWaalsContact O-N 3.15Å
369I75.6Confident77.1Confident12 Ų1275.3 Ų75.36%0.06235%0.349CS..Hα-helixtrans-61.5-46.9175.7-69.2161.7000110.1Y343 I365 I366 Q367 R372 Q373Y343-I369 HydrophobicContact CE2-CD1 4.34Å; I365-I369 HydrophobicContact CG2-CD1 3.67Å; I365-I369 HydrophobicContact CG2-CG1 4.39Å; I365-I369 WeakPolarHBondContact O-CD1 3.27Å; I365-I369 VanDerWaalsContact O-CG1 3.26Å; I365-I369 WeakPolarHBondContact O-CG1 3.25Å; I365-I369 PolarHBondContact O-N 2.73Å; I366-I369 PolarHBondContact O-N 3.42Å; Q367-I369 PolarHBondContact O-N 3.36Å; I369-R372 PolarHBondContact O-N 3.26Å; I369-Q373 PolarHBondContact O-N 2.94Å
370H73.8Confident76.2Confident36 Ų3679.2 Ų79.217%0.16737%0.367CS..Hα-helixtrans-63.1-45.4-179.5-172.484.2000112R36 H39 I366 Q367 R372 Q373 Y374R36-H370 PolarHBondContact O-CE1 2.63Å; H39-H370 AromaticContact CE1-CD2 3.68Å; H39-H370 AromaticContact CE1-CE1 3.77Å; H39-H370 AromaticContact CE1-CG 3.33Å; H39-H370 AromaticContact CE1-ND1 3.43Å; H39-H370 PolarHBondContact CE1-ND1 3.38Å; H39-H370 AromaticContact CE1-NE2 3.95Å; H39-H370 AromaticContact ND1-CE1 3.94Å; H39-H370 AromaticContact ND1-CG 3.84Å; H39-H370 AromaticContact ND1-ND1 3.5Å; I366-H370 WeakPolarHBondContact O-CB 3.42Å; I366-H370 PolarHBondContact O-N 3.38Å; Q367-H370 PolarHBondContact O-N 3.32Å; H370-R372 VanDerWaalsContact C-N 3.31Å; H370-R372 PolarHBondContact O-N 2.82Å; H370-Q373 PolarHBondContact O-N 2.55Å; H370-Q373 VanDerWaalsContact O-N 3.15Å; H370-Y374 AromaticContact CE1-CD2 3.82Å; H370-Y374 AromaticContact CE1-CE2 3.23Å; H370-Y374 WeakPolarHBondContact CE1-CE2 3.11Å; H370-Y374 AromaticContact ND1-CE2 3.62Å; H370-Y374 AromaticContact NE2-CD2 3.81Å; H370-Y374 AromaticContact NE2-CE2 3.62Å; H370-Y374 WeakPolarHBondContact O-CD2 3.41Å; H370-Y374 PolarHBondContact O-N 3Å
371L73.6Confident75.3Confident67 Ų6780.1 Ų80.135%0.35137%0.369SS..Hα-helixtrans-59.4-40.3176.9-70.3170.8000112.4Q367 Y374 E375 L376 L377Q367-L371 VanDerWaalsContact O-CG 3.31Å; Q367-L371 WeakPolarHBondContact O-CG 3.19Å; Q367-L371 PolarHBondContact O-N 3.01Å; L371-Y374 PolarHBondContact O-N 3.07Å; L371-E375 PolarHBondContact O-N 3.22Å; L371-L376 HydrophobicContact CB-CB 4.48Å; L371-L376 HydrophobicContact CD2-CB 3.96Å; L371-L376 HydrophobicContact CD2-CD1 3.82Å; L371-L376 PolarHBondContact O-N 2.78Å; L371-L377 HydrophobicContact CB-CD1 3.74Å; L371-L377 HydrophobicContact CB-CG 4.09Å; L371-L377 HydrophobicContact CD1-CD1 4.22Å
372R71.1Confident74.4Confident142 Ų14281 Ų8154%0.53637%0.37SS..Hα-helixtrans-64.4-39.8174.4-73.7177.4-177.1175.1-0.2112.9R368 I369 H370 Y374 E375 L377R368-R372 WeakPolarHBondContact O-CG 2.99Å; R368-R372 PolarHBondContact O-N 3.36Å; R368-R372 VanDerWaalsContact O-N 3.15Å; I369-R372 PolarHBondContact O-N 3.26Å; H370-R372 VanDerWaalsContact C-N 3.31Å; H370-R372 PolarHBondContact O-N 2.82Å; R372-Y374 PolarHBondContact O-N 3.15Å; R372-E375 PolarHBondContact O-N 3.39Å; R372-L377 HydrophobicContact CG-CD1 4.39Å
373Q68.4Low73.3Confident95 Ų9586.4 Ų86.444%0.44440%0.395SS..Hα-helixtrans-64.4-26.6179.4-78.9-179.4-15.500113.1I369 H370I369-Q373 PolarHBondContact O-N 2.94Å; H370-Q373 PolarHBondContact O-N 2.55Å; H370-Q373 VanDerWaalsContact O-N 3.15Å
374Y66.8Low72.3Confident109 Ų10989.5 Ų89.543%0.42741%0.412SS..THydrogen-bonded Turntrans-103.115179.1-72.4-80.3000113.8H370 L371 R372 L376H370-Y374 AromaticContact CE1-CD2 3.82Å; H370-Y374 AromaticContact CE1-CE2 3.23Å; H370-Y374 WeakPolarHBondContact CE1-CE2 3.11Å; H370-Y374 AromaticContact ND1-CE2 3.62Å; H370-Y374 AromaticContact NE2-CD2 3.81Å; H370-Y374 AromaticContact NE2-CE2 3.62Å; H370-Y374 WeakPolarHBondContact O-CD2 3.41Å; H370-Y374 PolarHBondContact O-N 3Å; L371-Y374 PolarHBondContact O-N 3.07Å; R372-Y374 PolarHBondContact O-N 3.15Å; Y374-L376 PolarHBondContact O-N 3.46Å
375E62.8Low71.3Confident178 Ų17890.5 Ų90.583%0.83241%0.412SS*.THydrogen-bonded Turntrans54.832.8179.4-57-178.4163.600113.6L371 R372 L377L371-E375 PolarHBondContact O-N 3.22Å; R372-E375 PolarHBondContact O-N 3.39Å; E375-L377 VanDerWaalsContact C-N 3.33Å
376L56.4Low70.1Confident121 Ų12195.8 Ų95.863%0.63444%0.435SS*.  trans-90.8-0176.7-63.8173.4000112.9L371 Y374L371-L376 HydrophobicContact CB-CB 4.48Å; L371-L376 HydrophobicContact CD2-CB 3.96Å; L371-L376 HydrophobicContact CD2-CD1 3.82Å; L371-L376 PolarHBondContact O-N 2.78Å; Y374-L376 PolarHBondContact O-N 3.46Å
377L48.2Very low68.8Low158 Ų158104.5 Ų104.583%0.82747%0.474SS*.  trans-137.10172.7-73170.2000107.4L371 R372 E375L371-L377 HydrophobicContact CB-CD1 3.74Å; L371-L377 HydrophobicContact CB-CG 4.09Å; L371-L377 HydrophobicContact CD1-CD1 4.22Å; R372-L377 HydrophobicContact CG-CD1 4.39Å; E375-L377 VanDerWaalsContact C-N 3.33Å

Retrieved 377 of 377 residues in 224.5 ms (Link to these results)

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