A0A096NS91_PAPAN Loading...

NADP-dependent oxidoreductase domain-containing protein 1

Probable oxidoreductase.

AlphaFold DB (A0A2K6BMG8), UniProt , Accession A0A096NS91, Species PAPAN (Papio anubis, Olive baboon), Gene NOXRED1, Length 359 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
1M41.3Very low60.4Low234 Ų234118.1 Ų118.1100%1.15360%0.604SS**  0113.70-102.3-172.3-9800106.9M3M1-M3 PolarHBondContact O-N 3.17Å
2D48.9Very low61.7Low58 Ų58118.8 Ų118.831%0.3160%0.6SS.*  trans-75.8107.6173.2-173.3-6000106.9L4 Q5 N205D2-L4 PolarHBondContact O-N 2.99Å; D2-L4 PolarHBondContact OD1-N 3.28Å; D2-Q5 HydrophobicContact CB-CB 4.25Å; D2-Q5 WeakPolarHBondContact O-CB 3.39Å; D2-Q5 PolarHBondContact O-N 2.82Å; D2-Q5 VanDerWaalsContact O-N 3.1Å; D2-N205 VanDerWaalsContact OD2-CB 3.29Å; D2-N205 WeakPolarHBondContact OD2-CB 3.5Å; D2-N205 PolarHBondContact OD2-ND2 3.03Å
3M51.4Low63Low168 Ų168115.5 Ų115.583%0.82858%0.581SS**THydrogen-bonded Turntrans-63.1-9.9-173-65.8-167.1-58.400113.4M1M1-M3 PolarHBondContact O-N 3.17Å
4L56.4Low64Low77 Ų77117.9 Ų117.940%0.40358%0.581SS.*THydrogen-bonded Turntrans-102.8-3.6-178.7-59.6175000113.1D2 D6 L7 L10D2-L4 PolarHBondContact O-N 2.99Å; D2-L4 PolarHBondContact OD1-N 3.28Å; L4-D6 PolarHBondContact O-N 3.49Å; L4-L7 HydrophobicContact CD2-CD1 4.49Å; L4-L7 PolarHBondContact O-N 3.18Å; L4-L7 VanDerWaalsContact O-N 3.16Å; L4-L10 HydrophobicContact CD2-CB 3.94Å; L4-L10 HydrophobicContact CD2-CD1 3.68Å; L4-L10 HydrophobicContact CD2-CG 4.49Å
5Q55Low65.1Low133 Ų133114.6 Ų114.662%0.62159%0.589SS**THydrogen-bonded Turntrans-64.3-30.8-175-157.8168.42.300112.3D2 Q11D2-Q5 HydrophobicContact CB-CB 4.25Å; D2-Q5 WeakPolarHBondContact O-CB 3.39Å; D2-Q5 PolarHBondContact O-N 2.82Å; D2-Q5 VanDerWaalsContact O-N 3.1Å; Q5-Q11 PolarHBondContact O-NE2 2.61Å
6D59.4Low66.3Low152 Ų152108.6 Ų108.681%0.81356%0.56SS**THydrogen-bonded Turntrans-97.84179.5-56.9-41.5000113.5L4L4-D6 PolarHBondContact O-N 3.49Å
7L72Confident67.5Low82 Ų82105.9 Ų105.943%0.42955%0.55SS.*  trans-115.676.7-178.5-65.7173000109.8L4 S9 L10L4-L7 HydrophobicContact CD2-CD1 4.49Å; L4-L7 PolarHBondContact O-N 3.18Å; L4-L7 VanDerWaalsContact O-N 3.16Å; L7-S9 PolarHBondContact O-N 3.26Å; L7-S9 VanDerWaalsContact O-N 3.09Å; L7-L10 HydrophobicContact CB-CB 4.26Å; L7-L10 HydrophobicContact CB-CD1 4.08Å; L7-L10 HydrophobicContact CB-CG 4.27Å; L7-L10 HydrophobicContact CD1-CD1 3.71Å; L7-L10 HydrophobicContact CG-CD1 4.5Å; L7-L10 PolarHBondContact O-N 3.03Å
8E66.5Low68.5Low144 Ų144108.2 Ų108.267%0.67356%0.558SS**G310 helixtrans-50.7-36.2-177.9-69.5-176167.800113.2L10 Q11 Y14E8-L10 VanDerWaalsContact C-N 3.25Å; E8-L10 PolarHBondContact O-N 3.19Å; E8-Q11 WeakPolarHBondContact O-CB 3.36Å; E8-Q11 PolarHBondContact O-N 3.35Å; E8-Y14 VanDerWaalsContact O-CB 3.29Å; E8-Y14 WeakPolarHBondContact O-CB 3.46Å
9S72.3Confident69.5Low78 Ų78110.1 Ų110.155%0.54556%0.564SS.*G310 helixtrans-70.6-14.9179.5600000115.1L7L7-S9 PolarHBondContact O-N 3.26Å; L7-S9 VanDerWaalsContact O-N 3.09Å
10L68.8Low70.4Confident104 Ų104108.3 Ų108.355%0.54556%0.556SS.*G310 helixtrans-102-1.7176.8-62.3-179.1000112.7L4 L7 E8L4-L10 HydrophobicContact CD2-CB 3.94Å; L4-L10 HydrophobicContact CD2-CD1 3.68Å; L4-L10 HydrophobicContact CD2-CG 4.49Å; L7-L10 HydrophobicContact CB-CB 4.26Å; L7-L10 HydrophobicContact CB-CD1 4.08Å; L7-L10 HydrophobicContact CB-CG 4.27Å; L7-L10 HydrophobicContact CD1-CD1 3.71Å; L7-L10 HydrophobicContact CG-CD1 4.5Å; L7-L10 PolarHBondContact O-N 3.03Å; E8-L10 VanDerWaalsContact C-N 3.25Å; E8-L10 PolarHBondContact O-N 3.19Å
11Q72.3Confident71.1Confident69 Ų69108.4 Ų108.432%0.32255%0.549SS..SBendtrans-74.2147174.7-64.7-177-3.800110.1Q5 E8 E13 Y14Q5-Q11 PolarHBondContact O-NE2 2.61Å; E8-Q11 WeakPolarHBondContact O-CB 3.36Å; E8-Q11 PolarHBondContact O-N 3.35Å; Q11-E13 WeakPolarHBondContact CB-OE2 3.46Å; Q11-E13 PolarHBondContact O-N 3Å; Q11-Y14 WeakPolarHBondContact O-CB 3.38Å; Q11-Y14 PolarHBondContact O-N 3.29Å
12F76.2Confident73.1Confident126 Ų126102.6 Ų102.655%0.55352%0.522SS*.G310 helixtrans-56.9-40.3-178174.3-84.6000110.9Y14 G15 V16 L24F12-Y14 PolarHBondContact O-N 3.42Å; F12-G15 PolarHBondContact O-N 2.89Å; F12-G15 VanDerWaalsContact O-N 3.12Å; F12-V16 HydrophobicContact CD1-CG2 3.86Å; F12-V16 HydrophobicContact CE1-CG2 3.37Å; F12-V16 HydrophobicContact CZ-CG2 4.1Å; F12-L24 HydrophobicContact CD1-CD2 4.21Å; F12-L24 HydrophobicContact CE1-CD2 4.12Å
13E78.8Confident74.8Confident77 Ų77106.2 Ų106.236%0.3653%0.531SS..G310 helixtrans-60.3-30-176.9-62.282.3174.700112.7Q11 G15 V16 L24Q11-E13 WeakPolarHBondContact CB-OE2 3.46Å; Q11-E13 PolarHBondContact O-N 3Å; E13-G15 VanDerWaalsContact C-N 3.32Å; E13-G15 PolarHBondContact O-N 2.93Å; E13-V16 PolarHBondContact O-N 3.29Å; E13-L24 HydrophobicContact CB-CD1 4.27Å; E13-L24 HydrophobicContact CG-CD1 4.01Å; E13-L24 HydrophobicContact CG-CD2 4.08Å
14Y77.3Confident76.3Confident149 Ų149100.2 Ų100.258%0.58450%0.502SS*.G310 helixtrans-69.8-31.2178.8-165.5-91.4000112.2E8 Q11 F12 V16E8-Y14 VanDerWaalsContact O-CB 3.29Å; E8-Y14 WeakPolarHBondContact O-CB 3.46Å; Q11-Y14 WeakPolarHBondContact O-CB 3.38Å; Q11-Y14 PolarHBondContact O-N 3.29Å; F12-Y14 PolarHBondContact O-N 3.42Å; Y14-V16 VanDerWaalsContact C-N 3.29Å; Y14-V16 PolarHBondContact O-N 3.33Å
15G80.2Confident77.6Confident68 Ų68100.4 Ų100.470%0.70150%0.498SS*.G310 helixtrans-80.4-4.3176.400000114.5F12 E13F12-G15 PolarHBondContact O-N 2.89Å; F12-G15 VanDerWaalsContact O-N 3.12Å; E13-G15 VanDerWaalsContact C-N 3.32Å; E13-G15 PolarHBondContact O-N 2.93Å
16V83.4Confident79.1Confident19 Ų1997.8 Ų97.812%0.11549%0.488CS..SBendtrans-91.1123.8-177.6-177.40000110.1F12 E13 Y14 D20 R21 L24F12-V16 HydrophobicContact CD1-CG2 3.86Å; F12-V16 HydrophobicContact CE1-CG2 3.37Å; F12-V16 HydrophobicContact CZ-CG2 4.1Å; E13-V16 PolarHBondContact O-N 3.29Å; Y14-V16 VanDerWaalsContact C-N 3.29Å; Y14-V16 PolarHBondContact O-N 3.33Å; V16-D20 HydrophobicContact CG1-CB 3.62Å; V16-R21 HydrophobicContact CB-CG 4.48Å; V16-R21 HydrophobicContact CG1-CG 4.18Å; V16-L24 HydrophobicContact CG2-CD2 4.03Å
17P87.7Confident80.3Confident62 Ų6294.2 Ų94.240%0.40347%0.467SS..  trans-52.4146.4173-24.934.1000111.7E19 D20 R21P17-E19 VanDerWaalsContact C-N 3.25Å; P17-E19 HydrophobicContact CB-CG 4.14Å; P17-E19 PolarHBondContact O-N 3.38Å; P17-D20 PolarHBondContact O-N 3.15Å; P17-R21 PolarHBondContact O-N 3.33Å
18E84.9Confident81.1Confident148 Ų14891 Ų9169%0.69245%0.453SS*.G310 helixtrans-57.4-37.9-176.5-74.3-172.9161.200112.9D20 R21E18-D20 PolarHBondContact O-N 3.33Å; E18-R21 PolarHBondContact O-N 3.29Å
19E88.6Confident82.1Confident143 Ų14386.3 Ų86.367%0.66843%0.429SS*.G310 helixtrans-60.3-29.1175.159.5-111.9-143.500114P17P17-E19 VanDerWaalsContact C-N 3.25Å; P17-E19 HydrophobicContact CB-CG 4.14Å; P17-E19 PolarHBondContact O-N 3.38Å
20D86.6Confident83Confident74 Ų7486.5 Ų86.540%0.39643%0.431SS..G310 helixtrans-93.5-10.6-176.1-74.1-25000112.7V16 P17 E18 I22 W23V16-D20 HydrophobicContact CG1-CB 3.62Å; P17-D20 PolarHBondContact O-N 3.15Å; E18-D20 PolarHBondContact O-N 3.33Å; D20-I22 PolarHBondContact O-N 2.95Å; D20-I22 VanDerWaalsContact O-N 3.11Å; D20-W23 WeakPolarHBondContact O-CB 3.26Å; D20-W23 PolarHBondContact O-N 2.94Å
21R84.3Confident84.1Confident111 Ų11184.3 Ų84.342%0.41942%0.415SS..G310 helixtrans-60.2-25.2179.4-71.2-177.4178.6-179.8-2.8112.8V16 P17 E18 W23 L24V16-R21 HydrophobicContact CB-CG 4.48Å; V16-R21 HydrophobicContact CG1-CG 4.18Å; P17-R21 PolarHBondContact O-N 3.33Å; E18-R21 PolarHBondContact O-N 3.29Å; R21-W23 PolarHBondContact O-N 3.42Å; R21-W23 VanDerWaalsContact O-N 3.1Å; R21-L24 HydrophobicContact CB-CD1 4.06Å; R21-L24 HydrophobicContact CG-CD1 4.11Å; R21-L24 WeakPolarHBondContact O-CB 3.46Å; R21-L24 WeakPolarHBondContact O-CG 3.27Å; R21-L24 PolarHBondContact O-N 3.24Å; R21-L24 VanDerWaalsContact O-N 3.12Å
22I84.5Confident85.1Confident113 Ų11381 Ų8158%0.57940%0.4SS*.G310 helixtrans-58.3-20.617367.4175.7000112.9D20 Y25D20-I22 PolarHBondContact O-N 2.95Å; D20-I22 VanDerWaalsContact O-N 3.11Å; I22-Y25 WeakPolarHBondContact O-CD1 3.4Å; I22-Y25 VanDerWaalsContact O-CE1 3.23Å; I22-Y25 WeakPolarHBondContact O-CE1 3.28Å
23W84.8Confident85.9Confident133 Ų13377.6 Ų77.650%0.50439%0.387SS..G310 helixtrans-95.3-3.7-179.2-59.7113.9000114.1D20 R21 Y25 L26D20-W23 WeakPolarHBondContact O-CB 3.26Å; D20-W23 PolarHBondContact O-N 2.94Å; R21-W23 PolarHBondContact O-N 3.42Å; R21-W23 VanDerWaalsContact O-N 3.1Å; W23-Y25 HydrophobicContact CE3-CE1 4Å; W23-Y25 HydrophobicContact CZ3-CE1 4.47Å; W23-Y25 PolarHBondContact O-N 2.57Å; W23-Y25 VanDerWaalsContact O-N 3.11Å; W23-L26 HydrophobicContact CB-CD1 4.24Å; W23-L26 HydrophobicContact CD2-CD1 4.47Å; W23-L26 HydrophobicContact CE3-CD1 3.79Å; W23-L26 HydrophobicContact CE3-CG 4.38Å; W23-L26 VanDerWaalsContact O-CB 3.25Å; W23-L26 WeakPolarHBondContact O-CB 3.16Å; W23-L26 WeakPolarHBondContact O-CG 3.45Å; W23-L26 PolarHBondContact O-N 3.08Å
24L82.6Confident86.7Confident43 Ų4375.2 Ų75.223%0.22538%0.376CS..THydrogen-bonded Turntrans-58.2-29.1-177.6-74.6172.9000112.9F12 E13 V16 R21 L26 Q27F12-L24 HydrophobicContact CD1-CD2 4.21Å; F12-L24 HydrophobicContact CE1-CD2 4.12Å; E13-L24 HydrophobicContact CB-CD1 4.27Å; E13-L24 HydrophobicContact CG-CD1 4.01Å; E13-L24 HydrophobicContact CG-CD2 4.08Å; V16-L24 HydrophobicContact CG2-CD2 4.03Å; R21-L24 HydrophobicContact CB-CD1 4.06Å; R21-L24 HydrophobicContact CG-CD1 4.11Å; R21-L24 WeakPolarHBondContact O-CB 3.46Å; R21-L24 WeakPolarHBondContact O-CG 3.27Å; R21-L24 PolarHBondContact O-N 3.24Å; R21-L24 VanDerWaalsContact O-N 3.12Å; L24-L26 PolarHBondContact O-N 2.99Å; L24-L26 VanDerWaalsContact O-N 3.12Å; L24-Q27 WeakPolarHBondContact O-CB 3.39Å; L24-Q27 PolarHBondContact O-N 2.85Å
25Y83.4Confident87.6Confident80 Ų8068.2 Ų68.231%0.31435%0.349SS..Hα-helixtrans-59.4-25175.379-90.7000113I22 W23 Q27 G28 R29I22-Y25 WeakPolarHBondContact O-CD1 3.4Å; I22-Y25 VanDerWaalsContact O-CE1 3.23Å; I22-Y25 WeakPolarHBondContact O-CE1 3.28Å; W23-Y25 HydrophobicContact CE3-CE1 4Å; W23-Y25 HydrophobicContact CZ3-CE1 4.47Å; W23-Y25 PolarHBondContact O-N 2.57Å; W23-Y25 VanDerWaalsContact O-N 3.11Å; Y25-Q27 PolarHBondContact O-N 3.48Å; Y25-G28 PolarHBondContact O-N 3.32Å; Y25-R29 HydrophobicContact CD2-CG 4.24Å; Y25-R29 VanDerWaalsContact CE2-CZ 3.45Å; Y25-R29 PolarHBondContact O-N 3.4Å
26L86.3Confident88.4Confident78 Ų7865 Ų6541%0.40832%0.316SS..Hα-helixtrans-64.5-27.5176.7-67177.7000112.1W23 L24 R29 S30W23-L26 HydrophobicContact CB-CD1 4.24Å; W23-L26 HydrophobicContact CD2-CD1 4.47Å; W23-L26 HydrophobicContact CE3-CD1 3.79Å; W23-L26 HydrophobicContact CE3-CG 4.38Å; W23-L26 VanDerWaalsContact O-CB 3.25Å; W23-L26 WeakPolarHBondContact O-CB 3.16Å; W23-L26 WeakPolarHBondContact O-CG 3.45Å; W23-L26 PolarHBondContact O-N 3.08Å; L24-L26 PolarHBondContact O-N 2.99Å; L24-L26 VanDerWaalsContact O-N 3.12Å; L26-R29 PolarHBondContact O-N 2.87Å; L26-S30 VanDerWaalsContact O-CB 3.31Å; L26-S30 WeakPolarHBondContact O-CB 3.49Å; L26-S30 PolarHBondContact O-N 2.93Å
27Q85.8Confident89.1Confident78 Ų7864.3 Ų64.336%0.36431%0.312SS..Hα-helixtrans-67.2-47.3173.6-60.6-163-26.600111.2L24 Y25 R29 S30 R31L24-Q27 WeakPolarHBondContact O-CB 3.39Å; L24-Q27 PolarHBondContact O-N 2.85Å; Y25-Q27 PolarHBondContact O-N 3.48Å; Q27-R29 VanDerWaalsContact C-N 3.29Å; Q27-R29 PolarHBondContact O-N 3.03Å; Q27-S30 PolarHBondContact O-N 3.04Å; Q27-R31 WeakPolarHBondContact O-CB 3.37Å; Q27-R31 PolarHBondContact O-N 3.32Å
28G87.3Confident89.6Confident14 Ų1461.4 Ų61.414%0.14429%0.293CS..Hα-helixtrans-55.7-44.8172.800000111.5Y25 R31 G32Y25-G28 PolarHBondContact O-N 3.32Å; G28-R31 PolarHBondContact O-N 3.02Å; G28-G32 PolarHBondContact O-N 3.13Å
29R88.4Confident90.2Very high46 Ų4654.3 Ų54.317%0.17426%0.26CS..Hα-helixtrans-65.9-44.3176.5-71.9-173.5178.2179.61.6113.4Y25 L26 Q27 R31 G32 L33 G195 I230Y25-R29 HydrophobicContact CD2-CG 4.24Å; Y25-R29 VanDerWaalsContact CE2-CZ 3.45Å; Y25-R29 PolarHBondContact O-N 3.4Å; L26-R29 PolarHBondContact O-N 2.87Å; Q27-R29 VanDerWaalsContact C-N 3.29Å; Q27-R29 PolarHBondContact O-N 3.03Å; R29-R31 VanDerWaalsContact C-N 3.25Å; R29-R31 PolarHBondContact O-N 3.49Å; R29-G32 PolarHBondContact O-N 2.91Å; R29-L33 WeakPolarHBondContact O-CB 3.14Å; R29-L33 PolarHBondContact O-N 3.02Å; R29-G195 PolarHBondContact NH2-O 3.36Å; R29-I230 WeakPolarHBondContact O-CD1 3.47Å
30S90.1Very high90.7Very high82 Ų8247.5 Ų47.557%0.57323%0.228SC*.Hα-helixtrans-60.5-40.1177.1179.70000111L26 Q27 M34L26-S30 VanDerWaalsContact O-CB 3.31Å; L26-S30 WeakPolarHBondContact O-CB 3.49Å; L26-S30 PolarHBondContact O-N 2.93Å; Q27-S30 PolarHBondContact O-N 3.04Å; S30-M34 PolarHBondContact O-N 3.13Å
31R91.7Very high91.2Very high57 Ų5744 Ų4422%0.21521%0.209CC..Hα-helixtrans-69.7-45.4176.2-179.8175.4170.499.55.9112.1Q27 G28 R29 L33 M34 I35 W202 G203 K206Q27-R31 WeakPolarHBondContact O-CB 3.37Å; Q27-R31 PolarHBondContact O-N 3.32Å; G28-R31 PolarHBondContact O-N 3.02Å; R29-R31 VanDerWaalsContact C-N 3.25Å; R29-R31 PolarHBondContact O-N 3.49Å; R31-L33 VanDerWaalsContact C-N 3.28Å; R31-L33 PolarHBondContact O-N 3.38Å; R31-M34 WeakPolarHBondContact O-CB 3.34Å; R31-M34 PolarHBondContact O-N 3.25Å; R31-M34 VanDerWaalsContact O-N 3.13Å; R31-I35 HydrophobicContact CG-CD1 4.01Å; R31-I35 WeakPolarHBondContact O-CG1 3.24Å; R31-I35 PolarHBondContact O-N 3.16Å; R31-W202 PolarHBondContact NE-O 2.99Å; R31-G203 WeakPolarHBondContact CD-O 3.1Å; R31-G203 PolarHBondContact NE-O 3.17Å; R31-K206 VanDerWaalsContact CZ-O 3.25Å; R31-K206 PolarHBondContact NH1-O 2.97Å; R31-K206 PolarHBondContact NH2-O 3.43Å
32G93.3Very high91.9Very high0 Ų038.7 Ų38.70%019%0.189CC..Hα-helixtrans-56.2-45.1174.500000111.5G28 R29 M34 I35 E36G28-G32 PolarHBondContact O-N 3.13Å; R29-G32 PolarHBondContact O-N 2.91Å; G32-M34 VanDerWaalsContact C-N 3.3Å; G32-M34 PolarHBondContact O-N 2.96Å; G32-I35 PolarHBondContact O-N 3.13Å; G32-I35 VanDerWaalsContact O-N 3.1Å; G32-E36 WeakPolarHBondContact O-CB 3.31Å; G32-E36 VanDerWaalsContact O-CG 3.24Å; G32-E36 WeakPolarHBondContact O-CG 3.11Å; G32-E36 PolarHBondContact O-N 3.05Å
33L93.8Very high92.6Very high54 Ų5433.5 Ų33.528%0.28316%0.162SC..Hα-helixtrans-61-38177.5-173.368.8000112.4R29 R31 A37 Y192 I230R29-L33 WeakPolarHBondContact O-CB 3.14Å; R29-L33 PolarHBondContact O-N 3.02Å; R31-L33 VanDerWaalsContact C-N 3.28Å; R31-L33 PolarHBondContact O-N 3.38Å; L33-A37 WeakPolarHBondContact O-CB 3.49Å; L33-A37 PolarHBondContact O-N 3.34Å; L33-Y192 HydrophobicContact CD1-CD1 4.14Å; L33-Y192 HydrophobicContact CD1-CD2 3.42Å; L33-Y192 VanDerWaalsContact CD1-CD2 3.42Å; L33-Y192 HydrophobicContact CD1-CE2 3.93Å; L33-Y192 HydrophobicContact CD1-CG 3.53Å; L33-I230 HydrophobicContact CB-CD1 4.31Å
34M95.7Very high93.2Very high28 Ų2827.1 Ų27.114%0.13814%0.138CC..Hα-helixtrans-63.9-44.7174.5-176.966.553.100111.7S30 R31 G32 C38 H86 L87 Q90 V208S30-M34 PolarHBondContact O-N 3.13Å; R31-M34 WeakPolarHBondContact O-CB 3.34Å; R31-M34 PolarHBondContact O-N 3.25Å; R31-M34 VanDerWaalsContact O-N 3.13Å; G32-M34 VanDerWaalsContact C-N 3.3Å; G32-M34 PolarHBondContact O-N 2.96Å; M34-C38 PolarHBondContact O-N 2.8Å; M34-C38 VanDerWaalsContact O-N 3.07Å; M34-C38 PolarHBondContact O-SG 3Å; M34-H86 WeakPolarHBondContact CE-CD2 3.3Å; M34-L87 HydrophobicContact CE-CB 3.97Å; M34-L87 HydrophobicContact CE-CD1 4.19Å; M34-L87 HydrophobicContact SD-CB 4.07Å; M34-L87 HydrophobicContact SD-CD1 3.41Å; M34-L87 WeakPolarHBondContact SD-CD1 3.42Å; M34-L87 HydrophobicContact SD-CG 4.34Å; M34-Q90 HydrophobicContact CG-CG 4.37Å; M34-Q90 HydrophobicContact SD-CB 3.97Å; M34-Q90 HydrophobicContact SD-CG 4.04Å; M34-V208 HydrophobicContact CG-CG2 3.98Å
35I96.8Very high94Very high1 Ų125.1 Ų25.11%0.00513%0.127CC..Hα-helixtrans-64.4-51.6179.5-66.7166.8000109.5R31 G32 A37 C38 A39 W202 V208 A211 L212 I217 T221R31-I35 HydrophobicContact CG-CD1 4.01Å; R31-I35 WeakPolarHBondContact O-CG1 3.24Å; R31-I35 PolarHBondContact O-N 3.16Å; G32-I35 PolarHBondContact O-N 3.13Å; G32-I35 VanDerWaalsContact O-N 3.1Å; I35-A37 PolarHBondContact O-N 3.06Å; I35-C38 PolarHBondContact O-N 2.98Å; I35-A39 WeakPolarHBondContact O-CB 3.14Å; I35-A39 PolarHBondContact O-N 2.97Å; I35-W202 HydrophobicContact CB-CE3 4.41Å; I35-W202 HydrophobicContact CD1-CB 4.32Å; I35-W202 HydrophobicContact CD1-CE3 4.17Å; I35-W202 HydrophobicContact CG2-CE3 4.36Å; I35-W202 HydrophobicContact CG2-CZ3 4.28Å; I35-V208 HydrophobicContact CG1-CG2 4.46Å; I35-A211 HydrophobicContact CD1-CB 3.8Å; I35-A211 HydrophobicContact CG1-CB 4.23Å; I35-L212 HydrophobicContact CG2-CD2 3.6Å; I35-L212 HydrophobicContact CG2-CG 4.4Å; I35-I217 HydrophobicContact CD1-CG2 4.42Å; I35-I217 HydrophobicContact CG2-CG2 3.88Å; I35-T221 HydrophobicContact CG2-CG2 3.92Å
36E96.3Very high94.7Very high2 Ų222.2 Ų22.21%0.00912%0.117CC..Hα-helixtrans-53.6-48.2175-71.7-113.8159.400112.4G32 C38 A39 H40 Y192 W202 T221 I230G32-E36 WeakPolarHBondContact O-CB 3.31Å; G32-E36 VanDerWaalsContact O-CG 3.24Å; G32-E36 WeakPolarHBondContact O-CG 3.11Å; G32-E36 PolarHBondContact O-N 3.05Å; E36-C38 PolarHBondContact O-N 3.27Å; E36-A39 PolarHBondContact O-N 3.23Å; E36-H40 WeakPolarHBondContact O-CB 3.31Å; E36-H40 PolarHBondContact O-N 3.13Å; E36-H40 PolarHBondContact O-ND1 3.44Å; E36-H40 IonicContact OE2-CE1 3.03Å; E36-H40 PolarHBondContact OE2-CE1 3.37Å; E36-H40 VanDerWaalsContact OE2-CE1 3.25Å; E36-Y192 HydrophobicContact CB-CD1 4.42Å; E36-Y192 HydrophobicContact CB-CE1 3.73Å; E36-Y192 HydrophobicContact CG-CE1 4.45Å; E36-Y192 VanDerWaalsContact OE2-CD1 3.31Å; E36-Y192 WeakPolarHBondContact OE2-CD1 3.32Å; E36-Y192 WeakPolarHBondContact OE2-CE1 3.41Å; E36-W202 HydrophobicContact CG-CH2 3.93Å; E36-W202 HydrophobicContact CG-CZ2 4.46Å; E36-W202 HydrophobicContact CG-CZ3 4.42Å; E36-W202 WeakPolarHBondContact OE1-CH2 3.15Å; E36-T221 HydrophobicContact CG-CG2 4.26Å; E36-I230 HydrophobicContact CG-CB 4.49Å; E36-I230 HydrophobicContact CG-CG2 4.09Å
37A97.3Very high95.2Very high4 Ų418.8 Ų18.83%0.03310%0.099CC..Hα-helixtrans-58.8-46.7178.600000111.8L33 I35 A41 L87 F169 Y192L33-A37 WeakPolarHBondContact O-CB 3.49Å; L33-A37 PolarHBondContact O-N 3.34Å; I35-A37 PolarHBondContact O-N 3.06Å; A37-A41 WeakPolarHBondContact O-CB 3.1Å; A37-A41 PolarHBondContact O-N 2.86Å; A37-A41 VanDerWaalsContact O-N 3.14Å; A37-L87 HydrophobicContact CB-CD1 4.02Å; A37-F169 HydrophobicContact CB-CD1 3.94Å; A37-F169 HydrophobicContact CB-CE1 3.46Å; A37-F169 VanDerWaalsContact CB-CE1 3.46Å; A37-F169 HydrophobicContact CB-CZ 4.08Å; A37-F169 WeakPolarHBondContact O-CZ 3.44Å; A37-Y192 WeakPolarHBondContact CA-OH 3.44Å
38C98.3Very high95.7Very high0 Ų015.3 Ų15.30%08%0.082CC..Hα-helixtrans-68.8-37.8178.5-65.30000112M34 I35 E36 T42 T94 V208M34-C38 PolarHBondContact O-N 2.8Å; M34-C38 VanDerWaalsContact O-N 3.07Å; M34-C38 PolarHBondContact O-SG 3Å; I35-C38 PolarHBondContact O-N 2.98Å; E36-C38 PolarHBondContact O-N 3.27Å; C38-T42 WeakPolarHBondContact O-CB 3.45Å; C38-T42 PolarHBondContact O-N 3.31Å; C38-T42 PolarHBondContact O-OG1 2.78Å; C38-T94 HydrophobicContact CB-CG2 4.22Å; C38-V208 HydrophobicContact CB-CG1 3.68Å
39A98.3Very high96.1Very high0 Ų018.5 Ų18.50%09%0.09CC..Hα-helixtrans-63.7-52.8178.500000111I35 E36 A41 T42 F43 L212 T221 Y337 F341I35-A39 WeakPolarHBondContact O-CB 3.14Å; I35-A39 PolarHBondContact O-N 2.97Å; E36-A39 PolarHBondContact O-N 3.23Å; A39-A41 PolarHBondContact O-N 3.18Å; A39-T42 WeakPolarHBondContact O-CB 3.24Å; A39-T42 PolarHBondContact O-N 2.84Å; A39-T42 VanDerWaalsContact O-N 3.13Å; A39-F43 PolarHBondContact O-N 3.44Å; A39-L212 HydrophobicContact CB-CD1 4.36Å; A39-L212 HydrophobicContact CB-CD2 3.55Å; A39-T221 HydrophobicContact CB-CG2 4.06Å; A39-Y337 WeakPolarHBondContact CB-OH 3.49Å; A39-F341 HydrophobicContact CB-CZ 4.38Å; A39-F341 WeakPolarHBondContact O-CZ 3.28Å
40H98.4Very high96.3Very high0 Ų019.8 Ų19.80%010%0.101CC..Hα-helixtrans-62.6-41.8-179.5-64.3159000112.7E36 F44 Y192 T221 L232 W236 Y337E36-H40 WeakPolarHBondContact O-CB 3.31Å; E36-H40 PolarHBondContact O-N 3.13Å; E36-H40 PolarHBondContact O-ND1 3.44Å; E36-H40 IonicContact OE2-CE1 3.03Å; E36-H40 PolarHBondContact OE2-CE1 3.37Å; E36-H40 VanDerWaalsContact OE2-CE1 3.25Å; H40-F44 VanDerWaalsContact O-CB 3.27Å; H40-F44 WeakPolarHBondContact O-CB 3.48Å; H40-F44 PolarHBondContact O-N 3.35Å; H40-Y192 AromaticContact CE1-CE1 3.61Å; H40-Y192 AromaticContact ND1-CE1 3.51Å; H40-Y192 AromaticContact ND1-CZ 3.7Å; H40-Y192 PolarHBondContact ND1-OH 3.36Å; H40-Y192 VanDerWaalsContact ND1-OH 3.08Å; H40-T221 PolarHBondContact NE2-O 3.11Å; H40-L232 VanDerWaalsContact CE1-CD2 3.42Å; H40-L232 WeakPolarHBondContact CE1-CD2 3.36Å; H40-W236 HydrophobicContact CB-CH2 3.82Å; H40-W236 HydrophobicContact CB-CZ2 3.6Å; H40-W236 WeakPolarHBondContact O-CZ2 3.42Å; H40-Y337 PolarHBondContact CD2-OH 2.95Å
41A98.6Very high96.5Very high0 Ų015.9 Ų15.90%07%0.074CC..Hα-helixtrans-66.1-38174.500000112.6A37 A39 F44 C45 L91 F141 F169A37-A41 WeakPolarHBondContact O-CB 3.1Å; A37-A41 PolarHBondContact O-N 2.86Å; A37-A41 VanDerWaalsContact O-N 3.14Å; A39-A41 PolarHBondContact O-N 3.18Å; A41-F44 PolarHBondContact O-N 2.87Å; A41-C45 WeakPolarHBondContact O-CB 3.2Å; A41-C45 PolarHBondContact O-N 3.08Å; A41-C45 PolarHBondContact O-SG 3Å; A41-L91 HydrophobicContact CB-CD1 3.54Å; A41-F141 HydrophobicContact CB-CD1 4.34Å; A41-F141 HydrophobicContact CB-CE1 3.44Å; A41-F141 VanDerWaalsContact CB-CE1 3.44Å; A41-F141 HydrophobicContact CB-CZ 3.74Å; A41-F169 HydrophobicContact CB-CE2 4.34Å; A41-F169 HydrophobicContact CB-CZ 3.85Å
42T98.6Very high96.5Very high0 Ų014.6 Ų14.60%07%0.069CC..Hα-helixtrans-65.6-47.6177.6-64.20000111.2C38 A39 F44 C45 K46 T94 L98 V99 F341C38-T42 WeakPolarHBondContact O-CB 3.45Å; C38-T42 PolarHBondContact O-N 3.31Å; C38-T42 PolarHBondContact O-OG1 2.78Å; A39-T42 WeakPolarHBondContact O-CB 3.24Å; A39-T42 PolarHBondContact O-N 2.84Å; A39-T42 VanDerWaalsContact O-N 3.13Å; T42-F44 VanDerWaalsContact C-N 3.32Å; T42-F44 PolarHBondContact O-N 2.9Å; T42-C45 PolarHBondContact O-N 3.36Å; T42-K46 HydrophobicContact CG2-CD 4.28Å; T42-K46 WeakPolarHBondContact O-CG 3.33Å; T42-K46 PolarHBondContact O-N 3.25Å; T42-T94 WeakPolarHBondContact OG1-CG2 3.34Å; T42-L98 HydrophobicContact CG2-CB 3.66Å; T42-L98 HydrophobicContact CG2-CD1 4.18Å; T42-V99 HydrophobicContact CG2-CG2 4.03Å; T42-F341 HydrophobicContact CG2-CE1 3.64Å; T42-F341 HydrophobicContact CG2-CZ 3.97Å
43F98.5Very high96.3Very high3 Ų316.2 Ų16.21%0.0138%0.082CC..Hα-helixtrans-57.1-47.3174.3176.9-107.8000111.3A39 C45 K46 L47 W236 L237 L336 Y337 S340 F341A39-F43 PolarHBondContact O-N 3.44Å; F43-C45 PolarHBondContact O-N 3.44Å; F43-K46 PolarHBondContact O-N 2.66Å; F43-L47 HydrophobicContact CD1-CD1 3.78Å; F43-L47 HydrophobicContact CD1-CG 4.44Å; F43-L47 HydrophobicContact CE1-CD1 3.26Å; F43-L47 HydrophobicContact CE1-CG 4.12Å; F43-L47 HydrophobicContact CE2-CD1 4.14Å; F43-L47 HydrophobicContact CE2-CD2 4.31Å; F43-L47 HydrophobicContact CE2-CG 4.15Å; F43-L47 HydrophobicContact CG-CD1 4.46Å; F43-L47 HydrophobicContact CZ-CD1 3.48Å; F43-L47 VanDerWaalsContact CZ-CD1 3.48Å; F43-L47 HydrophobicContact CZ-CD2 4.19Å; F43-L47 HydrophobicContact CZ-CG 3.97Å; F43-L47 WeakPolarHBondContact O-CG 3.5Å; F43-L47 PolarHBondContact O-N 2.99Å; F43-W236 AromaticContact CD1-CH2 3.84Å; F43-W236 HydrophobicContact CD1-CH2 3.84Å; F43-W236 HydrophobicContact CD1-CZ3 4.47Å; F43-L237 HydrophobicContact CE1-CD1 4.43Å; F43-L336 HydrophobicContact CE2-CD2 4.37Å; F43-L336 HydrophobicContact CE2-CG 4.27Å; F43-L336 HydrophobicContact CZ-CD2 4.13Å; F43-L336 HydrophobicContact CZ-CG 4.49Å; F43-Y337 HydrophobicContact CB-CD2 3.94Å; F43-Y337 HydrophobicContact CB-CE2 3.65Å; F43-Y337 AromaticContact CD1-CD2 3.86Å; F43-Y337 HydrophobicContact CD1-CD2 3.86Å; F43-Y337 HydrophobicContact CD1-CE2 4.2Å; F43-Y337 AromaticContact CD2-CD2 3.56Å; F43-Y337 HydrophobicContact CD2-CD2 3.56Å; F43-Y337 HydrophobicContact CD2-CE2 4.18Å; F43-Y337 HydrophobicContact CD2-CG 4.31Å; F43-Y337 HydrophobicContact CE1-CD2 4.17Å; F43-Y337 AromaticContact CE2-CD2 3.94Å; F43-Y337 HydrophobicContact CE2-CD2 3.94Å; F43-Y337 HydrophobicContact CE2-CG 4.47Å; F43-Y337 AromaticContact CG-CD2 3.5Å; F43-Y337 HydrophobicContact CG-CD2 3.5Å; F43-Y337 VanDerWaalsContact CG-CD2 3.5Å; F43-Y337 AromaticContact CG-CE2 3.75Å; F43-Y337 HydrophobicContact CG-CE2 3.75Å; F43-Y337 HydrophobicContact CZ-CD2 4.21Å; F43-S340 WeakPolarHBondContact CD2-OG 3.31Å; F43-F341 HydrophobicContact CB-CE2 4.22Å; F43-F341 HydrophobicContact CB-CZ 4.38Å
44F98.6Very high96.1Very high0 Ų015.1 Ų15.10%08%0.079CC..Hα-helixtrans-57.8-48.1177-179.3-114.1000112.4H40 A41 T42 K46 L47 L48 V139 I165 Y167 L188 W236 V240 A243H40-F44 VanDerWaalsContact O-CB 3.27Å; H40-F44 WeakPolarHBondContact O-CB 3.48Å; H40-F44 PolarHBondContact O-N 3.35Å; A41-F44 PolarHBondContact O-N 2.87Å; T42-F44 VanDerWaalsContact C-N 3.32Å; T42-F44 PolarHBondContact O-N 2.9Å; F44-K46 PolarHBondContact O-N 3.11Å; F44-L47 PolarHBondContact O-N 3.13Å; F44-L48 HydrophobicContact CD1-CD1 4.33Å; F44-L48 HydrophobicContact CD2-CG 4.49Å; F44-L48 HydrophobicContact CE1-CD1 3.64Å; F44-L48 HydrophobicContact CE1-CG 4.39Å; F44-L48 HydrophobicContact CE2-CD1 4.03Å; F44-L48 HydrophobicContact CE2-CD2 4.32Å; F44-L48 HydrophobicContact CE2-CG 4.13Å; F44-L48 HydrophobicContact CZ-CD1 3.48Å; F44-L48 VanDerWaalsContact CZ-CD1 3.48Å; F44-L48 HydrophobicContact CZ-CG 4.1Å; F44-L48 WeakPolarHBondContact O-CG 3.37Å; F44-L48 PolarHBondContact O-N 3.11Å; F44-V139 HydrophobicContact CE1-CG1 4.11Å; F44-V139 HydrophobicContact CE1-CG2 4.22Å; F44-I165 HydrophobicContact CE1-CG2 4.14Å; F44-I165 HydrophobicContact CZ-CD1 4Å; F44-I165 HydrophobicContact CZ-CG2 3.93Å; F44-Y167 HydrophobicContact CB-CE2 4.32Å; F44-Y167 AromaticContact CD1-CD2 3.74Å; F44-Y167 HydrophobicContact CD1-CD2 3.74Å; F44-Y167 HydrophobicContact CD1-CE2 4.04Å; F44-Y167 AromaticContact CE1-CD2 4Å; F44-Y167 HydrophobicContact CE1-CD2 4Å; F44-Y167 HydrophobicContact CG-CD2 4.34Å; F44-Y167 HydrophobicContact CG-CE2 4.2Å; F44-L188 HydrophobicContact CD2-CD2 3.98Å; F44-L188 HydrophobicContact CE1-CD2 4.41Å; F44-L188 HydrophobicContact CE2-CD2 3.75Å; F44-L188 HydrophobicContact CG-CD2 4.38Å; F44-L188 HydrophobicContact CZ-CD2 3.96Å; F44-W236 HydrophobicContact CB-CZ2 4.4Å; F44-V240 HydrophobicContact CD2-CB 4.33Å; F44-V240 HydrophobicContact CD2-CG1 3.99Å; F44-V240 HydrophobicContact CD2-CG2 3.8Å; F44-V240 HydrophobicContact CE2-CG1 4.41Å; F44-V240 HydrophobicContact CE2-CG2 4.32Å; F44-A243 HydrophobicContact CE2-CB 4.06Å; F44-A243 HydrophobicContact CZ-CB 4.27Å
45C98.4Very high95.8Very high0 Ų014.1 Ų14.10%07%0.074CC..Hα-helixtrans-63.7-39.5177.1-78.40000112.9A41 T42 F43 L48 Y49 F77 L95 V99A41-C45 WeakPolarHBondContact O-CB 3.2Å; A41-C45 PolarHBondContact O-N 3.08Å; A41-C45 PolarHBondContact O-SG 3Å; T42-C45 PolarHBondContact O-N 3.36Å; F43-C45 PolarHBondContact O-N 3.44Å; C45-L48 PolarHBondContact O-N 2.93Å; C45-Y49 VanDerWaalsContact O-CB 3.3Å; C45-Y49 WeakPolarHBondContact O-CB 3.07Å; C45-Y49 PolarHBondContact O-N 3.41Å; C45-F77 HydrophobicContact CB-CE1 4Å; C45-F77 HydrophobicContact CB-CZ 4.36Å; C45-F77 WeakPolarHBondContact O-CE1 3.43Å; C45-L95 HydrophobicContact CB-CD2 3.97Å; C45-V99 HydrophobicContact CB-CG1 4.17Å; C45-V99 HydrophobicContact CB-CG2 3.85Å
46K97.5Very high95.1Very high20 Ų2015.2 Ų15.29%0.0878%0.08CC..Hα-helixtrans-60.5-45.6174.3-76.6176.7175178.40111.8T42 F43 F44 L48 Y49 N50 L98 V99 S340T42-K46 HydrophobicContact CG2-CD 4.28Å; T42-K46 WeakPolarHBondContact O-CG 3.33Å; T42-K46 PolarHBondContact O-N 3.25Å; F43-K46 PolarHBondContact O-N 2.66Å; F44-K46 PolarHBondContact O-N 3.11Å; K46-L48 PolarHBondContact O-N 3.26Å; K46-Y49 PolarHBondContact O-N 3.34Å; K46-N50 WeakPolarHBondContact O-CB 3.48Å; K46-N50 VanDerWaalsContact O-CG 3.24Å; K46-N50 PolarHBondContact O-N 3.03Å; K46-L98 WeakPolarHBondContact CE-O 3.31Å; K46-L98 PolarHBondContact NZ-O 3.29Å; K46-V99 HydrophobicContact CG-CG2 4.23Å; K46-S340 WeakPolarHBondContact CD-O 3.41Å; K46-S340 WeakPolarHBondContact CE-O 3.31Å; K46-S340 PolarHBondContact NZ-O 3.35Å
47L96.9Very high94.4Very high6 Ų621.6 Ų21.63%0.03111%0.11CC..Hα-helixtrans-60.6-45.7177-73.6176.6000111.8F43 F44 N50 L51 V240 L265 F266 L336F43-L47 HydrophobicContact CD1-CD1 3.78Å; F43-L47 HydrophobicContact CD1-CG 4.44Å; F43-L47 HydrophobicContact CE1-CD1 3.26Å; F43-L47 HydrophobicContact CE1-CG 4.12Å; F43-L47 HydrophobicContact CE2-CD1 4.14Å; F43-L47 HydrophobicContact CE2-CD2 4.31Å; F43-L47 HydrophobicContact CE2-CG 4.15Å; F43-L47 HydrophobicContact CG-CD1 4.46Å; F43-L47 HydrophobicContact CZ-CD1 3.48Å; F43-L47 VanDerWaalsContact CZ-CD1 3.48Å; F43-L47 HydrophobicContact CZ-CD2 4.19Å; F43-L47 HydrophobicContact CZ-CG 3.97Å; F43-L47 WeakPolarHBondContact O-CG 3.5Å; F43-L47 PolarHBondContact O-N 2.99Å; F44-L47 PolarHBondContact O-N 3.13Å; L47-N50 PolarHBondContact O-N 3.28Å; L47-L51 VanDerWaalsContact O-CB 3.28Å; L47-L51 WeakPolarHBondContact O-CB 3.37Å; L47-L51 PolarHBondContact O-N 2.89Å; L47-V240 HydrophobicContact CD1-CG1 3.54Å; L47-L265 HydrophobicContact CD2-CD1 3.99Å; L47-L265 HydrophobicContact CD2-CD2 4.5Å; L47-L265 HydrophobicContact CD2-CG 4Å; L47-F266 HydrophobicContact CD1-CE1 3.57Å; L47-F266 HydrophobicContact CD1-CZ 3.98Å; L47-F266 HydrophobicContact CD2-CD1 4.44Å; L47-F266 HydrophobicContact CD2-CE1 4.11Å; L47-F266 HydrophobicContact CD2-CZ 4.49Å; L47-F266 HydrophobicContact CG-CE1 4.48Å; L47-L336 HydrophobicContact CD2-CD2 4.25Å
48L96.2Very high93.1Very high4 Ų424.8 Ų24.82%0.02113%0.126CC..Hα-helixtrans-69.2-35.6179.6-66.1-164.7000113F44 C45 K46 L51 R52 F77 V139 I165 I247F44-L48 HydrophobicContact CD1-CD1 4.33Å; F44-L48 HydrophobicContact CD2-CG 4.49Å; F44-L48 HydrophobicContact CE1-CD1 3.64Å; F44-L48 HydrophobicContact CE1-CG 4.39Å; F44-L48 HydrophobicContact CE2-CD1 4.03Å; F44-L48 HydrophobicContact CE2-CD2 4.32Å; F44-L48 HydrophobicContact CE2-CG 4.13Å; F44-L48 HydrophobicContact CZ-CD1 3.48Å; F44-L48 VanDerWaalsContact CZ-CD1 3.48Å; F44-L48 HydrophobicContact CZ-CG 4.1Å; F44-L48 WeakPolarHBondContact O-CG 3.37Å; F44-L48 PolarHBondContact O-N 3.11Å; C45-L48 PolarHBondContact O-N 2.93Å; K46-L48 PolarHBondContact O-N 3.26Å; L48-L51 HydrophobicContact CD2-CD2 4.27Å; L48-R52 WeakPolarHBondContact O-CG 3.46Å; L48-R52 PolarHBondContact O-N 2.81Å; L48-F77 HydrophobicContact CB-CE2 3.94Å; L48-F77 HydrophobicContact CB-CZ 3.87Å; L48-F77 HydrophobicContact CD1-CE2 4.31Å; L48-F77 HydrophobicContact CD1-CZ 4.4Å; L48-V139 HydrophobicContact CD1-CG2 3.65Å; L48-I165 HydrophobicContact CD1-CD1 3.73Å; L48-I247 HydrophobicContact CD1-CD1 4.07Å; L48-I247 HydrophobicContact CD2-CD1 3.45Å; L48-I247 VanDerWaalsContact CD2-CD1 3.45Å; L48-I247 HydrophobicContact CG-CD1 4.3Å
49Y95.6Very high91.6Very high81 Ų8129.1 Ų29.132%0.31815%0.147SC..Hα-helixtrans-60.1-51.6171.5173.9-89.4000110.9C45 K46 L51 R52 A53 F77 P100 I101C45-Y49 VanDerWaalsContact O-CB 3.3Å; C45-Y49 WeakPolarHBondContact O-CB 3.07Å; C45-Y49 PolarHBondContact O-N 3.41Å; K46-Y49 PolarHBondContact O-N 3.34Å; Y49-L51 VanDerWaalsContact C-N 3.34Å; Y49-L51 PolarHBondContact O-N 3.21Å; Y49-R52 PolarHBondContact O-N 3.48Å; Y49-R52 VanDerWaalsContact O-N 3.17Å; Y49-A53 PolarHBondContact O-N 3.13Å; Y49-F77 HydrophobicContact CD2-CB 4.45Å; Y49-F77 HydrophobicContact CD2-CD1 4.46Å; Y49-P100 HydrophobicContact CD1-CG 3.42Å; Y49-P100 VanDerWaalsContact CD1-CG 3.42Å; Y49-P100 HydrophobicContact CD2-CG 4.32Å; Y49-P100 HydrophobicContact CE1-CB 4.09Å; Y49-P100 HydrophobicContact CE1-CG 3.32Å; Y49-P100 HydrophobicContact CE2-CG 4.22Å; Y49-P100 WeakPolarHBondContact CE2-O 3.39Å; Y49-P100 HydrophobicContact CG-CG 3.94Å; Y49-I101 HydrophobicContact CD2-CG2 3.85Å; Y49-I101 HydrophobicContact CE2-CG2 4.34Å
50N94.4Very high89.8Confident73 Ų7333 Ų3339%0.3917%0.174SC..Hα-helixtrans-61.5-42.8178.9-70.4-12.2000111.4K46 L47 R52 A53 S54 L265K46-N50 WeakPolarHBondContact O-CB 3.48Å; K46-N50 VanDerWaalsContact O-CG 3.24Å; K46-N50 PolarHBondContact O-N 3.03Å; L47-N50 PolarHBondContact O-N 3.28Å; N50-R52 VanDerWaalsContact C-N 3.32Å; N50-R52 PolarHBondContact O-N 2.92Å; N50-A53 PolarHBondContact O-N 3.24Å; N50-S54 PolarHBondContact O-N 2.9Å; N50-S54 PolarHBondContact O-OG 3.2Å; N50-L265 HydrophobicContact CB-CD1 3.66Å
51L94Very high87.9Confident0 Ų036.4 Ų36.40%020%0.198CC..Hα-helixtrans-56.3-47.1175-178.967000111.2L47 L48 Y49 S54 L55 A244 I247 L261 L265L47-L51 VanDerWaalsContact O-CB 3.28Å; L47-L51 WeakPolarHBondContact O-CB 3.37Å; L47-L51 PolarHBondContact O-N 2.89Å; L48-L51 HydrophobicContact CD2-CD2 4.27Å; Y49-L51 VanDerWaalsContact C-N 3.34Å; Y49-L51 PolarHBondContact O-N 3.21Å; L51-S54 PolarHBondContact O-N 3.09Å; L51-L55 HydrophobicContact CD1-CD1 4.35Å; L51-L55 HydrophobicContact CG-CD1 3.94Å; L51-L55 WeakPolarHBondContact O-CB 3.37Å; L51-L55 WeakPolarHBondContact O-CD1 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.49Å; L51-L55 PolarHBondContact O-N 3.02Å; L51-A244 HydrophobicContact CD2-CB 3.9Å; L51-I247 HydrophobicContact CD2-CB 4.04Å; L51-I247 HydrophobicContact CD2-CD1 4.02Å; L51-I247 HydrophobicContact CD2-CG2 3.88Å; L51-L261 HydrophobicContact CD1-CD1 4.38Å; L51-L261 HydrophobicContact CD1-CD2 3.45Å; L51-L261 VanDerWaalsContact CD1-CD2 3.45Å; L51-L261 HydrophobicContact CD1-CG 3.8Å; L51-L265 HydrophobicContact CB-CD2 4Å; L51-L265 HydrophobicContact CD1-CD2 4.08Å
52R91.4Very high85.8Confident30 Ų3043.6 Ų43.611%0.11323%0.225CC..Hα-helixtrans-65.5-40.4178.4-77.1-177172.7-133.1-3.2112.6L48 Y49 N50 L55 N56 D138L48-R52 WeakPolarHBondContact O-CG 3.46Å; L48-R52 PolarHBondContact O-N 2.81Å; Y49-R52 PolarHBondContact O-N 3.48Å; Y49-R52 VanDerWaalsContact O-N 3.17Å; N50-R52 VanDerWaalsContact C-N 3.32Å; N50-R52 PolarHBondContact O-N 2.92Å; R52-L55 PolarHBondContact O-N 3.35Å; R52-N56 PolarHBondContact O-N 3.32Å; R52-N56 PolarHBondContact O-ND2 3.21Å; R52-N56 PolarHBondContact O-OD1 2.75Å; R52-D138 IonicContact CZ-OD1 3.25Å; R52-D138 IonicContact CZ-OD2 3.24Å; R52-D138 VanDerWaalsContact NH1-CG 3.25Å; R52-D138 IonicContact NH1-OD1 3.25Å; R52-D138 PolarHBondContact NH1-OD1 3.03Å; R52-D138 IonicContact NH1-OD2 2.8Å; R52-D138 PolarHBondContact NH1-OD2 3.24Å; R52-D138 IonicContact NH2-OD1 2.63Å; R52-D138 PolarHBondContact NH2-OD1 3.26Å; R52-D138 IonicContact NH2-OD2 3.78Å; R52-D138 PolarHBondContact NH2-OD2 3.44Å
53A89.8Confident83.5Confident35 Ų3550.8 Ų50.829%0.28926%0.258SS..Hα-helixtrans-57.5-51.9175.300000110.8Y49 N50 L55 N56 E57Y49-A53 PolarHBondContact O-N 3.13Å; N50-A53 PolarHBondContact O-N 3.24Å; A53-L55 VanDerWaalsContact C-N 3.31Å; A53-L55 PolarHBondContact O-N 2.75Å; A53-N56 PolarHBondContact O-N 3.04Å; A53-N56 VanDerWaalsContact O-N 3.13Å; A53-E57 PolarHBondContact O-N 3.36Å
54S89.7Confident81.1Confident31 Ų3158.2 Ų58.222%0.21730%0.297CS..Hα-helixtrans-62.3-35.2177.6-57.50000113.2N50 L51 N58N50-S54 PolarHBondContact O-N 2.9Å; N50-S54 PolarHBondContact O-OG 3.2Å; L51-S54 PolarHBondContact O-N 3.09Å; S54-N58 WeakPolarHBondContact O-CB 3.33Å; S54-N58 PolarHBondContact O-N 2.84Å; S54-N58 PolarHBondContact O-ND2 3.25Å
55L87.4Confident78.7Confident6 Ų662.3 Ų62.33%0.03133%0.326CS..Hα-helixtrans-67.7-35.9176.1-70.5165.6000112.2L51 R52 A53 Q59 I247 R251 M253 L261L51-L55 HydrophobicContact CD1-CD1 4.35Å; L51-L55 HydrophobicContact CG-CD1 3.94Å; L51-L55 WeakPolarHBondContact O-CB 3.37Å; L51-L55 WeakPolarHBondContact O-CD1 3.29Å; L51-L55 WeakPolarHBondContact O-CG 3.49Å; L51-L55 PolarHBondContact O-N 3.02Å; R52-L55 PolarHBondContact O-N 3.35Å; A53-L55 VanDerWaalsContact C-N 3.31Å; A53-L55 PolarHBondContact O-N 2.75Å; L55-Q59 WeakPolarHBondContact O-CG 3.17Å; L55-Q59 PolarHBondContact O-N 3.06Å; L55-I247 HydrophobicContact CD1-CG2 4.08Å; L55-R251 VanDerWaalsContact CB-NH1 3.3Å; L55-M253 HydrophobicContact CD2-CE 4.31Å; L55-M253 HydrophobicContact CD2-SD 3.61Å; L55-L261 HydrophobicContact CD2-CD2 3.7Å; L55-L261 HydrophobicContact CG-CD2 4.07Å
56N83.7Confident76.2Confident25 Ų2569.6 Ų69.613%0.13436%0.363CS..Hα-helixtrans-75.6-36179.9-65.8-12.5000111.9R52 A53 N58 Q59 S60 R251R52-N56 PolarHBondContact O-N 3.32Å; R52-N56 PolarHBondContact O-ND2 3.21Å; R52-N56 PolarHBondContact O-OD1 2.75Å; A53-N56 PolarHBondContact O-N 3.04Å; A53-N56 VanDerWaalsContact O-N 3.13Å; N56-N58 VanDerWaalsContact C-N 3.34Å; N56-Q59 PolarHBondContact O-N 3.44Å; N56-S60 PolarHBondContact O-N 3.15Å; N56-S60 PolarHBondContact O-OG 3.1Å; N56-R251 PolarHBondContact OD1-NH1 3.32Å
57E80.6Confident73.7Confident135 Ų13576 Ų7663%0.63140%0.399SS*.Hα-helixtrans-60.1-44.6172.1-73175.8-179.100111.4A53 Q59 S60 S61A53-E57 PolarHBondContact O-N 3.36Å; E57-Q59 VanDerWaalsContact C-N 3.28Å; E57-Q59 PolarHBondContact O-N 3.27Å; E57-S60 PolarHBondContact O-N 3.07Å; E57-S61 PolarHBondContact O-N 2.69Å; E57-S61 VanDerWaalsContact O-N 3.1Å; E57-S61 PolarHBondContact O-OG 3.15Å
58N70.4Confident71Confident71 Ų7180 Ų8038%0.3843%0.427SS..Hα-helixtrans-66.8-24.8177.5-78.3-47.6000114.1S54 N56 S61 R62S54-N58 WeakPolarHBondContact O-CB 3.33Å; S54-N58 PolarHBondContact O-N 2.84Å; S54-N58 PolarHBondContact O-ND2 3.25Å; N56-N58 VanDerWaalsContact C-N 3.34Å; N58-S61 PolarHBondContact O-OG 2.83Å; N58-S61 VanDerWaalsContact O-OG 3.09Å; N58-R62 WeakPolarHBondContact O-CG 3.49Å
59Q67.2Low68.3Low91 Ų9188.6 Ų88.643%0.42547%0.472SS..Hα-helixtrans-80.4-39.3173.4-74.4176.3-1.800111.7L55 N56 E57 S61 R62 H63L55-Q59 WeakPolarHBondContact O-CG 3.17Å; L55-Q59 PolarHBondContact O-N 3.06Å; N56-Q59 PolarHBondContact O-N 3.44Å; E57-Q59 VanDerWaalsContact C-N 3.28Å; E57-Q59 PolarHBondContact O-N 3.27Å; Q59-S61 VanDerWaalsContact C-N 3.31Å; Q59-S61 PolarHBondContact O-N 2.93Å; Q59-R62 PolarHBondContact O-N 3.34Å; Q59-R62 VanDerWaalsContact O-N 3.12Å; Q59-H63 PolarHBondContact O-N 3.41Å
60S59.8Low65.6Low81 Ų8191.2 Ų91.257%0.56649%0.491SS*.Hα-helixtrans-64.6-36.3179-56.50000111.8N56 E57 R62N56-S60 PolarHBondContact O-N 3.15Å; N56-S60 PolarHBondContact O-OG 3.1Å; E57-S60 PolarHBondContact O-N 3.07Å; S60-R62 VanDerWaalsContact C-N 3.32Å; S60-R62 PolarHBondContact O-N 3.02Å
61S58.6Low62.9Low73 Ų7393.2 Ų93.251%0.5151%0.511SS..Hα-helixtrans-69-26.517462.60000113.6E57 N58 Q59E57-S61 PolarHBondContact O-N 2.69Å; E57-S61 VanDerWaalsContact O-N 3.1Å; E57-S61 PolarHBondContact O-OG 3.15Å; N58-S61 PolarHBondContact O-OG 2.83Å; N58-S61 VanDerWaalsContact O-OG 3.09Å; Q59-S61 VanDerWaalsContact C-N 3.31Å; Q59-S61 PolarHBondContact O-N 2.93Å
62R54.2Low60.3Low150 Ų15097.7 Ų97.757%0.56655%0.549SS*.Hα-helixtrans-83.1-28.8176.5-70.3178.9-173.8-175.76.4113.5N58 Q59 S60 L64N58-R62 WeakPolarHBondContact O-CG 3.49Å; Q59-R62 PolarHBondContact O-N 3.34Å; Q59-R62 VanDerWaalsContact O-N 3.12Å; S60-R62 VanDerWaalsContact C-N 3.32Å; S60-R62 PolarHBondContact O-N 3.02Å; R62-L64 VanDerWaalsContact C-N 3.34Å; R62-L64 PolarHBondContact O-N 3.14Å
63H50.4Low58.2Low152 Ų152101.8 Ų101.870%0.70458%0.577SS**  trans-86.38.2-176.9-94.1-72.4000115.3Q59 S65Q59-H63 PolarHBondContact O-N 3.41Å; H63-S65 PolarHBondContact O-N 3.02Å
64L49.1Very low56.7Low158 Ų158104.7 Ų104.783%0.82759%0.593SS**  trans-71.313.4172.3-75.7166.5000114.4R62R62-L64 VanDerWaalsContact C-N 3.34Å; R62-L64 PolarHBondContact O-N 3.14Å
65S46.6Very low55.7Low87 Ų87109 Ų10961%0.60861%0.61SS**SBendtrans-121.2105.217152.80000111.1H63H63-S65 PolarHBondContact O-N 3.02Å
66I47.4Very low55.6Low152 Ų152112.6 Ų112.678%0.77963%0.626SS**SBendtrans62.8110.1156.2-53.6176.1000117
67D44.5Very low56.2Low156 Ų156111.9 Ų111.983%0.83462%0.622SS**  trans60.989.7154.8-59.6-22.8000119.6
68S39.6Very low57Low90 Ų90108.5 Ų108.563%0.62961%0.605SS**  trans-156.9103.7145172.10000111.4N70S68-N70 PolarHBondContact O-N 3.42Å; S68-N70 PolarHBondContact OG-N 2.98Å
69L40.8Very low58.3Low183 Ų183105.1 Ų105.196%0.95859%0.587SS**  trans-76.724.9170.3-105.1152.3000113.2
70N38Very low59.8Low136 Ų136100.8 Ų100.873%0.72757%0.567SS**  trans-99.4102.2168.2-70.4-30.4000108.1S68 A72S68-N70 PolarHBondContact O-N 3.42Å; S68-N70 PolarHBondContact OG-N 2.98Å; N70-A72 VanDerWaalsContact C-N 3.26Å; N70-A72 PolarHBondContact O-N 2.94Å
71S37.8Very low61.7Low115 Ų11597 Ų9780%0.80454%0.54SS*.  trans-59.487.9170.860.90000109.7T73S71-T73 PolarHBondContact O-N 3.2Å
72A39.9Very low63.6Low95 Ų9593.6 Ų93.679%0.78552%0.516SS*.  trans-68.4101.4162.500000105.9N70N70-A72 VanDerWaalsContact C-N 3.26Å; N70-A72 PolarHBondContact O-N 2.94Å
73T47.6Very low65.7Low115 Ų11587 Ų8771%0.70650%0.495SS*.  trans-53136.8163.347.10000107.1S71 E75S71-T73 PolarHBondContact O-N 3.2Å; T73-E75 PolarHBondContact O-N 3.22Å
74P57.8Low67.8Low96 Ų9680.2 Ų80.262%0.62347%0.466SS*.  trans-46.1132.2176.7-25.432.2000109.5E76P74-E76 PolarHBondContact O-N 3.44Å
75E69.3Low70.1Confident123 Ų12374.5 Ų74.558%0.57545%0.445SS*.  trans-56.5103.7179.4-80-171159.800109.4T73 F77 R251T73-E75 PolarHBondContact O-N 3.22Å; E75-F77 PolarHBondContact O-N 3.02Å; E75-R251 IonicContact OE2-CZ 3.58Å; E75-R251 IonicContact OE2-NH2 2.73Å; E75-R251 PolarHBondContact OE2-NH2 3.05Å
76E85.3Confident72.3Confident80 Ų8076.9 Ų76.937%0.37445%0.446SS..  trans-62.3133.8-176.2-164.6-173.7-175.700109.7P74 K78 P102 S105P74-E76 PolarHBondContact O-N 3.44Å; E76-K78 PolarHBondContact O-N 2.53Å; E76-P102 WeakPolarHBondContact OE1-CG 3.46Å; E76-S105 WeakPolarHBondContact CG-OG 3.43Å; E76-S105 PolarHBondContact OE1-OG 3.37Å
77F94.3Very high74.7Confident10 Ų1071.3 Ų71.34%0.04442%0.418CS..  trans-78.6109.7179.7174.9-126.4000110.6C45 L48 Y49 E75 V79 I101 S105 D138 V139C45-F77 HydrophobicContact CB-CE1 4Å; C45-F77 HydrophobicContact CB-CZ 4.36Å; C45-F77 WeakPolarHBondContact O-CE1 3.43Å; L48-F77 HydrophobicContact CB-CE2 3.94Å; L48-F77 HydrophobicContact CB-CZ 3.87Å; L48-F77 HydrophobicContact CD1-CE2 4.31Å; L48-F77 HydrophobicContact CD1-CZ 4.4Å; Y49-F77 HydrophobicContact CD2-CB 4.45Å; Y49-F77 HydrophobicContact CD2-CD1 4.46Å; E75-F77 PolarHBondContact O-N 3.02Å; F77-V79 HydrophobicContact CD1-CG2 4.18Å; F77-V79 HydrophobicContact CE1-CG2 3.62Å; F77-V79 HydrophobicContact CE2-CG2 4.45Å; F77-V79 HydrophobicContact CZ-CG2 3.79Å; F77-I101 HydrophobicContact CB-CG2 4.47Å; F77-I101 HydrophobicContact CD1-CG2 3.77Å; F77-S105 WeakPolarHBondContact O-CB 3.47Å; F77-S105 PolarHBondContact O-OG 3.38Å; F77-D138 HydrophobicContact CD2-CB 4.26Å; F77-D138 HydrophobicContact CE2-CB 4.3Å; F77-V139 HydrophobicContact CE2-CG2 3.68Å; F77-V139 HydrophobicContact CZ-CB 4.49Å; F77-V139 HydrophobicContact CZ-CG2 3.83Å
78K97.6Very high77.2Confident65 Ų6563.9 Ų63.928%0.28338%0.378SS..  trans-103.2127.6-170-65.2160.5-174169.50111.8E76 W136 D138 V139E76-K78 PolarHBondContact O-N 2.53Å; K78-W136 HydrophobicContact CB-CD2 4.21Å; K78-W136 HydrophobicContact CB-CE3 4.26Å; K78-W136 HydrophobicContact CB-CH2 3.72Å; K78-W136 HydrophobicContact CB-CZ2 3.66Å; K78-W136 HydrophobicContact CB-CZ3 4.02Å; K78-W136 HydrophobicContact CD-CD2 4.21Å; K78-W136 HydrophobicContact CD-CG 4.39Å; K78-W136 HydrophobicContact CD-CZ2 4.08Å; K78-W136 WeakPolarHBondContact CD-O 3.36Å; K78-W136 HydrophobicContact CG-CD2 4.39Å; K78-W136 HydrophobicContact CG-CH2 4.1Å; K78-W136 HydrophobicContact CG-CZ2 3.52Å; K78-D138 PolarHBondContact N-OD2 2.76Å; K78-D138 WeakPolarHBondContact O-CB 3.2Å; K78-D138 PolarHBondContact O-N 3.2Å; K78-V139 PolarHBondContact O-N 2.97Å
79V98.7Very high79.9Confident0 Ų063.5 Ų63.50%037%0.365CS..EExtended strand (participates in β ladder)trans-119122.7-178.6-177.90000110.6F77 L95 I101 S105 L106 R107 W136 F141F77-V79 HydrophobicContact CD1-CG2 4.18Å; F77-V79 HydrophobicContact CE1-CG2 3.62Å; F77-V79 HydrophobicContact CE2-CG2 4.45Å; F77-V79 HydrophobicContact CZ-CG2 3.79Å; V79-L95 HydrophobicContact CG1-CD1 4Å; V79-I101 HydrophobicContact CG2-CD1 4.08Å; V79-S105 PolarHBondContact N-O 3.12Å; V79-L106 HydrophobicContact CB-CD1 3.94Å; V79-L106 HydrophobicContact CG1-CD1 3.8Å; V79-L106 WeakPolarHBondContact O-CA 3.38Å; V79-R107 PolarHBondContact O-N 2.85Å; V79-W136 WeakPolarHBondContact O-CZ3 3.42Å; V79-F141 HydrophobicContact CG1-CD2 3.68Å; V79-F141 HydrophobicContact CG1-CE2 3.51Å
80G98.8Very high82.6Confident0 Ų057.6 Ų57.60%033%0.333CS..EExtended strand (participates in β ladder)trans-110.1140.2175.900000112R107 V139 I140 F141G80-R107 CarbonylContact C-O 3.53Å; G80-R107 WeakPolarHBondContact CA-O 3.29Å; G80-V139 PolarHBondContact N-O 3.43Å; G80-I140 CarbonylContact O-C 3.58Å; G80-I140 WeakPolarHBondContact O-CA 3.28Å; G80-F141 PolarHBondContact O-N 3.29Å
81I98.9Very high85.5Confident0 Ų051.1 Ų51.10%030%0.298CS..EExtended strand (participates in β ladder)trans-120.7121.8173.5-56.5174.1000109.2L91 A92 L95 L106 R107 I108 S109 L133 F141 C143I81-L91 HydrophobicContact CD1-CD2 4.19Å; I81-L91 HydrophobicContact CD1-CG 4.21Å; I81-L91 HydrophobicContact CG1-CD2 4.47Å; I81-A92 HydrophobicContact CD1-CB 3.76Å; I81-L95 HydrophobicContact CD1-CD1 4.44Å; I81-L106 HydrophobicContact CD1-CD1 4Å; I81-L106 HydrophobicContact CG1-CD1 4.29Å; I81-R107 PolarHBondContact N-O 3.44Å; I81-I108 HydrophobicContact CB-CG1 4.23Å; I81-I108 HydrophobicContact CB-CG2 4.44Å; I81-I108 HydrophobicContact CD1-CG1 4.41Å; I81-I108 CarbonylContact O-C 3.35Å; I81-I108 WeakPolarHBondContact O-CA 3.44Å; I81-S109 PolarHBondContact O-N 3.34Å; I81-L133 WeakPolarHBondContact O-CD1 3.48Å; I81-F141 HydrophobicContact CG1-CB 4.2Å; I81-F141 HydrophobicContact CG1-CD2 4.26Å; I81-C143 HydrophobicContact CG2-CB 4.09Å
82I98.7Very high88.4Confident3 Ų345.7 Ų45.72%0.01526%0.26CS..EExtended strand (participates in β ladder)trans-95.2110.9169.6-62.5177.3000108.6N130 L133 V134 I140 F141 L142 C143 C144 I152 I156I82-N130 HydrophobicContact CD1-CB 4.05Å; I82-L133 HydrophobicContact CD1-CD2 4.43Å; I82-L133 HydrophobicContact CG1-CD2 3.89Å; I82-V134 HydrophobicContact CD1-CG1 3.73Å; I82-I140 HydrophobicContact CD1-CG2 3.99Å; I82-I140 HydrophobicContact CG1-CG2 4.24Å; I82-F141 PolarHBondContact N-O 3.15Å; I82-L142 HydrophobicContact CB-CD2 4.18Å; I82-L142 HydrophobicContact CD1-CD2 3.88Å; I82-L142 HydrophobicContact CG1-CD2 4.44Å; I82-C143 CarbonylContact O-C 3.08Å; I82-C143 WeakPolarHBondContact O-CA 3.25Å; I82-C143 PolarHBondContact O-N 3.23Å; I82-C144 PolarHBondContact O-N 2.98Å; I82-I152 HydrophobicContact CD1-CG2 4.2Å; I82-I152 HydrophobicContact CG2-CD1 4.01Å; I82-I152 HydrophobicContact CG2-CG2 4.03Å; I82-I156 HydrophobicContact CD1-CD1 4.02Å; I82-I156 HydrophobicContact CD1-CG2 4.21Å
83G97.9Very high91.1Very high12 Ų1241.9 Ų41.912%0.12423%0.231CC..  trans109.2101.217900000113.2G85 G88 S109G83-G85 PolarHBondContact O-N 2.86Å; G83-G85 VanDerWaalsContact O-N 3.16Å; G83-G88 WeakPolarHBondContact O-CA 3.03Å; G83-S109 PolarHBondContact N-O 2.88Å
84G96.3Very high93.5Very high9 Ų936.4 Ų36.49%0.09320%0.197CC..  trans-84.635175.900000114.4K89 T110G84-K89 WeakPolarHBondContact O-CE 3.38Å; G84-T110 PolarHBondContact N-OG1 3.36Å
85G95.5Very high95.5Very high38 Ų3831.9 Ų31.939%0.39217%0.167SC..SBendtrans-76.2-160.7177.400000112.7G83 K89G83-G85 PolarHBondContact O-N 2.86Å; G83-G85 VanDerWaalsContact O-N 3.16Å; G85-K89 WeakPolarHBondContact O-CB 3.43Å; G85-K89 VanDerWaalsContact O-CG 3.25Å; G85-K89 WeakPolarHBondContact O-CG 3.42Å; G85-K89 PolarHBondContact O-N 3.21Å
86H94.4Very high96.8Very high136 Ų13627.4 Ų27.463%0.6315%0.147SC*.Hα-helixtrans-59.3-52.9179.9-173.461000112.2M34 K89 Q90M34-H86 WeakPolarHBondContact CE-CD2 3.3Å; H86-K89 PolarHBondContact O-N 3.43Å; H86-Q90 WeakPolarHBondContact O-CG 3.5Å; H86-Q90 PolarHBondContact O-N 3.31Å; H86-Q90 VanDerWaalsContact O-N 3.16Å
87L96.3Very high97.3Very high35 Ų3529.4 Ų29.418%0.18316%0.157CC..Hα-helixtrans-61.7-48.8176.817661.1000112.5M34 A37 K89 Q90 L91 F169M34-L87 HydrophobicContact CE-CB 3.97Å; M34-L87 HydrophobicContact CE-CD1 4.19Å; M34-L87 HydrophobicContact SD-CB 4.07Å; M34-L87 HydrophobicContact SD-CD1 3.41Å; M34-L87 WeakPolarHBondContact SD-CD1 3.42Å; M34-L87 HydrophobicContact SD-CG 4.34Å; A37-L87 HydrophobicContact CB-CD1 4.02Å; L87-K89 VanDerWaalsContact C-N 3.29Å; L87-K89 PolarHBondContact O-N 2.94Å; L87-Q90 PolarHBondContact O-N 3.07Å; L87-L91 VanDerWaalsContact O-CB 3.28Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 PolarHBondContact O-N 2.73Å; L87-F169 HydrophobicContact CD2-CB 3.54Å; L87-F169 HydrophobicContact CD2-CD1 4.3Å; L87-F169 HydrophobicContact CD2-CD2 3.9Å; L87-F169 HydrophobicContact CD2-CG 3.68Å
88G97.9Very high97.4Very high0 Ų030.5 Ų30.50%016%0.163CC..Hα-helixtrans-59.3-38.2-178.800000113.4G83 A92G83-G88 WeakPolarHBondContact O-CA 3.03Å; G88-A92 VanDerWaalsContact O-CB 3.27Å; G88-A92 WeakPolarHBondContact O-CB 3.37Å; G88-A92 PolarHBondContact O-N 2.78Å
89K97.2Very high97.4Very high82 Ų8227.7 Ų27.736%0.35715%0.151SC..Hα-helixtrans-65.8-47.3174.6-74.5174174.2-169.80112.4G84 G85 H86 L87 A92 G93 A115 L116 L119G84-K89 WeakPolarHBondContact O-CE 3.38Å; G85-K89 WeakPolarHBondContact O-CB 3.43Å; G85-K89 VanDerWaalsContact O-CG 3.25Å; G85-K89 WeakPolarHBondContact O-CG 3.42Å; G85-K89 PolarHBondContact O-N 3.21Å; H86-K89 PolarHBondContact O-N 3.43Å; L87-K89 VanDerWaalsContact C-N 3.29Å; L87-K89 PolarHBondContact O-N 2.94Å; K89-A92 PolarHBondContact O-N 3Å; K89-G93 PolarHBondContact O-N 3.17Å; K89-G93 VanDerWaalsContact O-N 3.1Å; K89-A115 PolarHBondContact NZ-O 3.31Å; K89-L116 HydrophobicContact CD-CD2 4.09Å; K89-L116 HydrophobicContact CG-CD2 3.84Å; K89-L119 HydrophobicContact CG-CD1 4.26Å
90Q97.4Very high97.2Very high60 Ų6031 Ų3128%0.2817%0.173SC..Hα-helixtrans-64-43.7178.8-66.5-56.2-46.700111M34 H86 L87 G93 T94 V208M34-Q90 HydrophobicContact CG-CG 4.37Å; M34-Q90 HydrophobicContact SD-CB 3.97Å; M34-Q90 HydrophobicContact SD-CG 4.04Å; H86-Q90 WeakPolarHBondContact O-CG 3.5Å; H86-Q90 PolarHBondContact O-N 3.31Å; H86-Q90 VanDerWaalsContact O-N 3.16Å; L87-Q90 PolarHBondContact O-N 3.07Å; Q90-G93 PolarHBondContact O-N 3.36Å; Q90-T94 WeakPolarHBondContact O-CB 3.48Å; Q90-T94 PolarHBondContact O-N 2.79Å; Q90-T94 PolarHBondContact O-OG1 3.05Å; Q90-V208 HydrophobicContact CB-CG2 4.21Å; Q90-V208 HydrophobicContact CG-CG2 4.17Å
91L98.6Very high97Very high0 Ų031.6 Ų31.60%018%0.176CC..Hα-helixtrans-61.3-49.2177.8179.863.1000111.1A41 I81 L87 G93 T94 L95 F141 F169A41-L91 HydrophobicContact CB-CD1 3.54Å; I81-L91 HydrophobicContact CD1-CD2 4.19Å; I81-L91 HydrophobicContact CD1-CG 4.21Å; I81-L91 HydrophobicContact CG1-CD2 4.47Å; L87-L91 VanDerWaalsContact O-CB 3.28Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 PolarHBondContact O-N 2.73Å; L91-G93 PolarHBondContact O-N 2.95Å; L91-T94 PolarHBondContact O-N 3.16Å; L91-T94 VanDerWaalsContact O-N 3.17Å; L91-L95 HydrophobicContact CD1-CD1 3.91Å; L91-L95 HydrophobicContact CD1-CD2 4.28Å; L91-L95 HydrophobicContact CD1-CG 3.87Å; L91-L95 HydrophobicContact CD2-CD1 4.47Å; L91-L95 HydrophobicContact CG-CD1 3.82Å; L91-L95 HydrophobicContact CG-CG 4.19Å; L91-L95 WeakPolarHBondContact O-CB 3.4Å; L91-L95 VanDerWaalsContact O-CG 3.28Å; L91-L95 WeakPolarHBondContact O-CG 3.47Å; L91-L95 PolarHBondContact O-N 3.5Å; L91-F141 HydrophobicContact CD2-CB 3.87Å; L91-F141 HydrophobicContact CD2-CD1 3.86Å; L91-F141 HydrophobicContact CD2-CD2 4.06Å; L91-F141 HydrophobicContact CD2-CE1 4.43Å; L91-F141 HydrophobicContact CD2-CG 3.66Å; L91-F169 HydrophobicContact CD2-CE2 3.84Å
92A98.3Very high96.8Very high0 Ų034.1 Ų34.10%019%0.192CC..Hα-helixtrans-57.7-47178.500000112.4I81 G88 K89 T94 L95 L96 L106 I108 L119 I124I81-A92 HydrophobicContact CD1-CB 3.76Å; G88-A92 VanDerWaalsContact O-CB 3.27Å; G88-A92 WeakPolarHBondContact O-CB 3.37Å; G88-A92 PolarHBondContact O-N 2.78Å; K89-A92 PolarHBondContact O-N 3Å; A92-T94 VanDerWaalsContact C-N 3.34Å; A92-T94 PolarHBondContact O-N 3.13Å; A92-L95 PolarHBondContact O-N 3.38Å; A92-L96 WeakPolarHBondContact O-CB 3.31Å; A92-L96 PolarHBondContact O-N 3.31Å; A92-L106 HydrophobicContact CB-CD2 4.21Å; A92-L106 WeakPolarHBondContact O-CD2 3.34Å; A92-I108 HydrophobicContact CB-CD1 3.58Å; A92-I108 HydrophobicContact CB-CG1 4.47Å; A92-L119 HydrophobicContact CB-CD1 4.08Å; A92-L119 HydrophobicContact CB-CD2 4.46Å; A92-I124 HydrophobicContact CB-CD1 4.32Å
93G97.3Very high96.7Very high16 Ų1634.6 Ų34.617%0.16520%0.197CC..Hα-helixtrans-63-40.1176.500000112.7K89 Q90 L91 Q97K89-G93 PolarHBondContact O-N 3.17Å; K89-G93 VanDerWaalsContact O-N 3.1Å; Q90-G93 PolarHBondContact O-N 3.36Å; L91-G93 PolarHBondContact O-N 2.95Å; G93-Q97 WeakPolarHBondContact O-CB 3.39Å; G93-Q97 VanDerWaalsContact O-CG 3.27Å; G93-Q97 WeakPolarHBondContact O-CG 3.28Å; G93-Q97 PolarHBondContact O-N 3.17Å
94T97.8Very high96.5Very high0 Ų039.7 Ų39.70%022%0.217CC..Hα-helixtrans-67.1-45.9178.8-54.70000111.2C38 T42 Q90 L91 A92 Q97 L98 I209 L212C38-T94 HydrophobicContact CB-CG2 4.22Å; T42-T94 WeakPolarHBondContact OG1-CG2 3.34Å; Q90-T94 WeakPolarHBondContact O-CB 3.48Å; Q90-T94 PolarHBondContact O-N 2.79Å; Q90-T94 PolarHBondContact O-OG1 3.05Å; L91-T94 PolarHBondContact O-N 3.16Å; L91-T94 VanDerWaalsContact O-N 3.17Å; A92-T94 VanDerWaalsContact C-N 3.34Å; A92-T94 PolarHBondContact O-N 3.13Å; T94-Q97 PolarHBondContact O-N 3.2Å; T94-L98 HydrophobicContact CG2-CD1 3.61Å; T94-L98 HydrophobicContact CG2-CG 4.25Å; T94-L98 VanDerWaalsContact O-CB 3.31Å; T94-L98 WeakPolarHBondContact O-CB 3.47Å; T94-L98 WeakPolarHBondContact O-CG 3.43Å; T94-L98 PolarHBondContact O-N 3.27Å; T94-I209 HydrophobicContact CG2-CG1 4.45Å; T94-L212 HydrophobicContact CG2-CD1 3.7Å
95L98.4Very high96.6Very high0 Ų039.2 Ų39.20%021%0.213CC..Hα-helixtrans-62.5-46.1178.6-68.5175.3000111.4C45 V79 I81 L91 A92 Q97 L98 V99 L106 F141C45-L95 HydrophobicContact CB-CD2 3.97Å; V79-L95 HydrophobicContact CG1-CD1 4Å; I81-L95 HydrophobicContact CD1-CD1 4.44Å; L91-L95 HydrophobicContact CD1-CD1 3.91Å; L91-L95 HydrophobicContact CD1-CD2 4.28Å; L91-L95 HydrophobicContact CD1-CG 3.87Å; L91-L95 HydrophobicContact CD2-CD1 4.47Å; L91-L95 HydrophobicContact CG-CD1 3.82Å; L91-L95 HydrophobicContact CG-CG 4.19Å; L91-L95 WeakPolarHBondContact O-CB 3.4Å; L91-L95 VanDerWaalsContact O-CG 3.28Å; L91-L95 WeakPolarHBondContact O-CG 3.47Å; L91-L95 PolarHBondContact O-N 3.5Å; A92-L95 PolarHBondContact O-N 3.38Å; L95-Q97 PolarHBondContact O-N 3.1Å; L95-L98 PolarHBondContact O-N 3.5Å; L95-V99 HydrophobicContact CB-CG2 4.39Å; L95-V99 HydrophobicContact CD2-CG2 3.69Å; L95-V99 WeakPolarHBondContact O-CA 3.46Å; L95-V99 VanDerWaalsContact O-CB 3.25Å; L95-V99 WeakPolarHBondContact O-CB 3.43Å; L95-V99 PolarHBondContact O-N 2.85Å; L95-L106 HydrophobicContact CB-CD2 4.4Å; L95-L106 HydrophobicContact CD1-CD1 4.36Å; L95-F141 HydrophobicContact CD1-CD2 4.34Å; L95-F141 HydrophobicContact CD1-CE2 3.9Å
96L97Very high96.7Very high30 Ų3037.4 Ų37.416%0.15719%0.194CC..Hα-helixtrans-59.7-35.6178.8-177.867.1000112.7A92 A103 L106 L122 I124A92-L96 WeakPolarHBondContact O-CB 3.31Å; A92-L96 PolarHBondContact O-N 3.31Å; L96-A103 HydrophobicContact CD1-CB 3.83Å; L96-L106 HydrophobicContact CB-CD2 4.3Å; L96-L122 HydrophobicContact CD2-CB 3.77Å; L96-L122 HydrophobicContact CD2-CD1 4.03Å; L96-L122 HydrophobicContact CD2-CG 4.42Å; L96-I124 HydrophobicContact CB-CD1 4.47Å; L96-I124 HydrophobicContact CD2-CD1 4Å; L96-I124 HydrophobicContact CD2-CG1 4.32Å
97Q96.3Very high96.9Very high121 Ų12133.6 Ų33.657%0.56517%0.174SC*.Hα-helixtrans-88.6-31.9-175.4-71.1-70.1-18.700113.3G93 T94 L95 I209G93-Q97 WeakPolarHBondContact O-CB 3.39Å; G93-Q97 VanDerWaalsContact O-CG 3.27Å; G93-Q97 WeakPolarHBondContact O-CG 3.28Å; G93-Q97 PolarHBondContact O-N 3.17Å; T94-Q97 PolarHBondContact O-N 3.2Å; L95-Q97 PolarHBondContact O-N 3.1Å; Q97-I209 HydrophobicContact CB-CD1 3.98Å; Q97-I209 HydrophobicContact CB-CG1 4.47Å; Q97-I209 HydrophobicContact CG-CD1 3.79Å
98L96.9Very high97Very high34 Ų3432 Ų3218%0.17817%0.165CC..Hα-helixtrans-106.7-26.4-171.2-60.1-174.6000113.1T42 K46 T94 L95 I209 L212 F341T42-L98 HydrophobicContact CG2-CB 3.66Å; T42-L98 HydrophobicContact CG2-CD1 4.18Å; K46-L98 WeakPolarHBondContact CE-O 3.31Å; K46-L98 PolarHBondContact NZ-O 3.29Å; T94-L98 HydrophobicContact CG2-CD1 3.61Å; T94-L98 HydrophobicContact CG2-CG 4.25Å; T94-L98 VanDerWaalsContact O-CB 3.31Å; T94-L98 WeakPolarHBondContact O-CB 3.47Å; T94-L98 WeakPolarHBondContact O-CG 3.43Å; T94-L98 PolarHBondContact O-N 3.27Å; L95-L98 PolarHBondContact O-N 3.5Å; L98-I209 HydrophobicContact CD2-CG2 4.36Å; L98-L212 HydrophobicContact CD1-CB 4.34Å; L98-L212 HydrophobicContact CD1-CD1 3.93Å; L98-F341 HydrophobicContact CD1-CD1 4.03Å; L98-F341 HydrophobicContact CD1-CE1 4Å
99V96.8Very high97Very high5 Ų532 Ų323%0.0317%0.165CC..SBendtrans-94.4135.4177.9-172.50000108.6T42 C45 K46 L95 I101T42-V99 HydrophobicContact CG2-CG2 4.03Å; C45-V99 HydrophobicContact CB-CG1 4.17Å; C45-V99 HydrophobicContact CB-CG2 3.85Å; K46-V99 HydrophobicContact CG-CG2 4.23Å; L95-V99 HydrophobicContact CB-CG2 4.39Å; L95-V99 HydrophobicContact CD2-CG2 3.69Å; L95-V99 WeakPolarHBondContact O-CA 3.46Å; L95-V99 VanDerWaalsContact O-CB 3.25Å; L95-V99 WeakPolarHBondContact O-CB 3.43Å; L95-V99 PolarHBondContact O-N 2.85Å; V99-I101 HydrophobicContact CB-CG1 4.14Å; V99-I101 HydrophobicContact CG1-CD1 4.36Å; V99-I101 HydrophobicContact CG1-CG1 4.07Å; V99-I101 HydrophobicContact CG1-CG2 4.01Å; V99-I101 PolarHBondContact O-N 3.31Å
100P94Very high97.1Very high70 Ų7029.1 Ų29.146%0.45516%0.155SC..SBendtrans-75.652.5-179.834.2-39.9000112.6Y49Y49-P100 HydrophobicContact CD1-CG 3.42Å; Y49-P100 VanDerWaalsContact CD1-CG 3.42Å; Y49-P100 HydrophobicContact CD2-CG 4.32Å; Y49-P100 HydrophobicContact CE1-CB 4.09Å; Y49-P100 HydrophobicContact CE1-CG 3.32Å; Y49-P100 HydrophobicContact CE2-CG 4.22Å; Y49-P100 WeakPolarHBondContact CE2-O 3.39Å; Y49-P100 HydrophobicContact CG-CG 3.94Å
101I94.3Very high97Very high13 Ų1334.2 Ų34.27%0.06717%0.171CC..  trans-111.8145.9173.955.9175.3000110.5Y49 F77 V79 V99Y49-I101 HydrophobicContact CD2-CG2 3.85Å; Y49-I101 HydrophobicContact CE2-CG2 4.34Å; F77-I101 HydrophobicContact CB-CG2 4.47Å; F77-I101 HydrophobicContact CD1-CG2 3.77Å; V79-I101 HydrophobicContact CG2-CD1 4.08Å; V99-I101 HydrophobicContact CB-CG1 4.14Å; V99-I101 HydrophobicContact CG1-CD1 4.36Å; V99-I101 HydrophobicContact CG1-CG1 4.07Å; V99-I101 HydrophobicContact CG1-CG2 4.01Å; V99-I101 PolarHBondContact O-N 3.31Å
102P95Very high96.8Very high52 Ų5242.2 Ų42.234%0.33820%0.202SC..  trans-71.5163.517434-38000111.3E76 E104 S105E76-P102 WeakPolarHBondContact OE1-CG 3.46Å; P102-E104 VanDerWaalsContact C-N 3.27Å; P102-E104 VanDerWaalsContact CB-CD 3.49Å; P102-E104 HydrophobicContact CB-CG 4.04Å; P102-E104 WeakPolarHBondContact CB-OE1 3.35Å; P102-E104 HydrophobicContact CG-CG 3.99Å; P102-E104 PolarHBondContact O-N 3.34Å; P102-S105 VanDerWaalsContact O-CB 3.28Å; P102-S105 WeakPolarHBondContact O-CB 3.4Å; P102-S105 PolarHBondContact O-N 2.91Å; P102-S105 VanDerWaalsContact O-N 3.13Å
103A96.3Very high96.8Very high14 Ų1443.5 Ų43.512%0.11621%0.21CC..G310 helixtrans-64.4-33.1-176.500000112.6L96 S105 L106 L122L96-A103 HydrophobicContact CD1-CB 3.83Å; A103-S105 PolarHBondContact O-N 3.46Å; A103-L106 PolarHBondContact O-N 2.94Å; A103-L106 VanDerWaalsContact O-O 3.08Å; A103-L122 WeakPolarHBondContact CB-O 3.4Å
104E95.2Very high96.7Very high118 Ų11848.9 Ų48.955%0.55123%0.231SC*.G310 helixtrans-64.2-2417652.1-92.4-153.100114.1P102 L106P102-E104 VanDerWaalsContact C-N 3.27Å; P102-E104 VanDerWaalsContact CB-CD 3.49Å; P102-E104 HydrophobicContact CB-CG 4.04Å; P102-E104 WeakPolarHBondContact CB-OE1 3.35Å; P102-E104 HydrophobicContact CG-CG 3.99Å; P102-E104 PolarHBondContact O-N 3.34Å; E104-L106 PolarHBondContact O-N 2.81Å
105S96.9Very high96.6Very high0 Ų051.1 Ų51.10%025%0.25CC..G310 helixtrans-76.5-3.5171.4-85.30000113.6E76 F77 V79 P102 A103 W136E76-S105 WeakPolarHBondContact CG-OG 3.43Å; E76-S105 PolarHBondContact OE1-OG 3.37Å; F77-S105 WeakPolarHBondContact O-CB 3.47Å; F77-S105 PolarHBondContact O-OG 3.38Å; V79-S105 PolarHBondContact N-O 3.12Å; P102-S105 VanDerWaalsContact O-CB 3.28Å; P102-S105 WeakPolarHBondContact O-CB 3.4Å; P102-S105 PolarHBondContact O-N 2.91Å; P102-S105 VanDerWaalsContact O-N 3.13Å; A103-S105 PolarHBondContact O-N 3.46Å; S105-W136 WeakPolarHBondContact O-CH2 3.41Å
106L98.3Very high96.5Very high0 Ų051.4 Ų51.40%025%0.251CS..EExtended strand (participates in β ladder)trans-119.8126.4177.8-17659.5000110.8V79 I81 A92 L95 L96 A103 E104 I124V79-L106 HydrophobicContact CB-CD1 3.94Å; V79-L106 HydrophobicContact CG1-CD1 3.8Å; V79-L106 WeakPolarHBondContact O-CA 3.38Å; I81-L106 HydrophobicContact CD1-CD1 4Å; I81-L106 HydrophobicContact CG1-CD1 4.29Å; A92-L106 HydrophobicContact CB-CD2 4.21Å; A92-L106 WeakPolarHBondContact O-CD2 3.34Å; L95-L106 HydrophobicContact CB-CD2 4.4Å; L95-L106 HydrophobicContact CD1-CD1 4.36Å; L96-L106 HydrophobicContact CB-CD2 4.3Å; A103-L106 PolarHBondContact O-N 2.94Å; A103-L106 VanDerWaalsContact O-O 3.08Å; E104-L106 PolarHBondContact O-N 2.81Å; L106-I124 HydrophobicContact CB-CG1 4.5Å; L106-I124 HydrophobicContact CD2-CD1 3.68Å; L106-I124 HydrophobicContact CD2-CG1 4.11Å; L106-I124 HydrophobicContact CG-CD1 4.37Å; L106-I124 HydrophobicContact CG-CG1 4.41Å; L106-I124 HydrophobicContact CG-CG2 4.22Å; L106-I124 WeakPolarHBondContact O-CG2 3.42Å
107R98.6Very high96.5Very high56 Ų5651.1 Ų51.121%0.21126%0.255CS..EExtended strand (participates in β ladder)trans-131.3147.2179.7-64.7-170.5-174.4171.51.9112.2V79 G80 I81 K125 F127 L133 W136V79-R107 PolarHBondContact O-N 2.85Å; G80-R107 CarbonylContact C-O 3.53Å; G80-R107 WeakPolarHBondContact CA-O 3.29Å; I81-R107 PolarHBondContact N-O 3.44Å; R107-K125 WeakPolarHBondContact CA-O 3.48Å; R107-K125 HydrophobicContact CG-CB 4.13Å; R107-F127 HydrophobicContact CB-CE1 4.07Å; R107-F127 HydrophobicContact CG-CE1 4.47Å; R107-L133 HydrophobicContact CB-CD1 4.27Å; R107-W136 HydrophobicContact CB-CE3 4.26Å; R107-W136 HydrophobicContact CB-CH2 4.02Å; R107-W136 HydrophobicContact CB-CZ3 3.63Å; R107-W136 HydrophobicContact CG-CE3 4.08Å; R107-W136 HydrophobicContact CG-CH2 3.41Å; R107-W136 VanDerWaalsContact CG-CH2 3.41Å; R107-W136 HydrophobicContact CG-CZ2 3.96Å; R107-W136 HydrophobicContact CG-CZ3 3.48Å; R107-W136 VanDerWaalsContact CG-CZ3 3.48Å; R107-W136 VanDerWaalsContact CZ-NE1 3.25Å; R107-W136 VanDerWaalsContact NH1-CD1 3.27Å; R107-W136 VanDerWaalsContact NH1-CG 3.25Å
108I98.8Very high96.5Very high0 Ų051.6 Ų51.60%026%0.257CS..EExtended strand (participates in β ladder)trans-126.2124.2176.8-50.6179000109.9I81 A92 L116 L119 I124 K125 C126 F127I81-I108 HydrophobicContact CB-CG1 4.23Å; I81-I108 HydrophobicContact CB-CG2 4.44Å; I81-I108 HydrophobicContact CD1-CG1 4.41Å; I81-I108 CarbonylContact O-C 3.35Å; I81-I108 WeakPolarHBondContact O-CA 3.44Å; A92-I108 HydrophobicContact CB-CD1 3.58Å; A92-I108 HydrophobicContact CB-CG1 4.47Å; I108-L116 HydrophobicContact CB-CD1 4.13Å; I108-L116 HydrophobicContact CD1-CD1 4.06Å; I108-L116 HydrophobicContact CG2-CD1 3.74Å; I108-L119 HydrophobicContact CD1-CD1 3.61Å; I108-I124 HydrophobicContact CD1-CG2 4.05Å; I108-I124 HydrophobicContact CG1-CG2 3.93Å; I108-K125 PolarHBondContact N-O 2.85Å; I108-C126 WeakPolarHBondContact O-CA 3.43Å; I108-F127 PolarHBondContact O-N 3.03Å
109S98.6Very high96.5Very high0 Ų050.8 Ų50.80%025%0.253CS..EExtended strand (participates in β ladder)trans-98.7123.1166.3-177.50000109.4I81 G83 F127 H129 N130I81-S109 PolarHBondContact O-N 3.34Å; G83-S109 PolarHBondContact N-O 2.88Å; S109-F127 CarbonylContact C-O 3.57Å; S109-F127 VanDerWaalsContact CA-O 3.26Å; S109-F127 WeakPolarHBondContact CA-O 3.36Å; S109-H129 PolarHBondContact OG-N 3.03Å; S109-H129 VanDerWaalsContact OG-N 3.13Å; S109-N130 VanDerWaalsContact CB-OD1 3.28Å; S109-N130 WeakPolarHBondContact CB-OD1 3.4Å; S109-N130 PolarHBondContact OG-OD1 2.84Å
110T97.6Very high96.5Very high22 Ų2254.4 Ų54.414%0.13527%0.27CS..  trans-153151.8179.6-172.30000110.5G84 R112 P113 L116 F127 Y128G84-T110 PolarHBondContact N-OG1 3.36Å; T110-R112 PolarHBondContact O-N 3.03Å; T110-P113 HydrophobicContact CG2-CB 4.31Å; T110-P113 WeakPolarHBondContact O-CD 3.44Å; T110-L116 HydrophobicContact CG2-CD1 3.63Å; T110-L116 HydrophobicContact CG2-CG 4.14Å; T110-F127 PolarHBondContact N-O 3Å; T110-Y128 WeakPolarHBondContact O-CB 3.37Å
111R95.9Very high96.6Very high167 Ų16758.6 Ų58.663%0.6328%0.281SS*.SBendtrans-61.5-25.8-179.1-68-175.7-66.3167.24.5114.5Y128 Q148R111-Y128 HydrophobicContact CG-CD2 4.43Å; R111-Y128 HydrophobicContact CG-CE1 4.14Å; R111-Y128 HydrophobicContact CG-CE2 3.85Å; R111-Q148 VanDerWaalsContact NH2-NE2 3.12Å
112R95.6Very high96.7Very high169 Ų16962.5 Ų62.564%0.63830%0.301SS*.  trans-127.770.2-177.1-70.9-167-62.6171.1-0.3110.3T110 E114 A115T110-R112 PolarHBondContact O-N 3.03Å; R112-E114 WeakPolarHBondContact CA-OE1 3.27Å; R112-E114 VanDerWaalsContact CA-OE2 3.23Å; R112-E114 WeakPolarHBondContact CA-OE2 3.45Å; R112-E114 WeakPolarHBondContact CB-OE1 3.38Å; R112-E114 VanDerWaalsContact CG-OE1 3.3Å; R112-E114 WeakPolarHBondContact CG-OE1 3.44Å; R112-E114 PolarHBondContact O-N 3.31Å; R112-A115 HydrophobicContact CB-CB 4.24Å; R112-A115 WeakPolarHBondContact O-CB 3.45Å; R112-A115 PolarHBondContact O-N 2.69Å; R112-A115 VanDerWaalsContact O-N 3.16Å
113P96.8Very high96.8Very high27 Ų2762.1 Ų62.118%0.17531%0.307CS..G310 helixtrans-62.4-28.3-177.926.9-34.6000112.5T110 A115 L116 C126T110-P113 HydrophobicContact CG2-CB 4.31Å; T110-P113 WeakPolarHBondContact O-CD 3.44Å; P113-A115 PolarHBondContact O-N 3.45Å; P113-L116 WeakPolarHBondContact O-CB 3.3Å; P113-L116 PolarHBondContact O-N 2.92Å; P113-C126 HydrophobicContact CB-CB 4.28Å
114E96.3Very high96.9Very high128 Ų12861.5 Ų61.560%0.59830%0.302SS*.G310 helixtrans-59.6-26.1174.872.5-72.5170.600113.1R112 L116R112-E114 WeakPolarHBondContact CA-OE1 3.27Å; R112-E114 VanDerWaalsContact CA-OE2 3.23Å; R112-E114 WeakPolarHBondContact CA-OE2 3.45Å; R112-E114 WeakPolarHBondContact CB-OE1 3.38Å; R112-E114 VanDerWaalsContact CG-OE1 3.3Å; R112-E114 WeakPolarHBondContact CG-OE1 3.44Å; R112-E114 PolarHBondContact O-N 3.31Å; E114-L116 PolarHBondContact O-N 3.15Å
115A95.4Very high97Very high48 Ų4861.4 Ų61.440%0.39730%0.299SS..G310 helixtrans-77.41.3175.800000113.7K89 R112 P113K89-A115 PolarHBondContact NZ-O 3.31Å; R112-A115 HydrophobicContact CB-CB 4.24Å; R112-A115 WeakPolarHBondContact O-CB 3.45Å; R112-A115 PolarHBondContact O-N 2.69Å; R112-A115 VanDerWaalsContact O-N 3.16Å; P113-A115 PolarHBondContact O-N 3.45Å
116L96.8Very high97.1Very high6 Ų662 Ų623%0.03130%0.303CS..G310 helixtrans-110.822.9179.3-53.6-169000112.7K89 I108 T110 P113 E114 E118 L119 Q120 C126K89-L116 HydrophobicContact CD-CD2 4.09Å; K89-L116 HydrophobicContact CG-CD2 3.84Å; I108-L116 HydrophobicContact CB-CD1 4.13Å; I108-L116 HydrophobicContact CD1-CD1 4.06Å; I108-L116 HydrophobicContact CG2-CD1 3.74Å; T110-L116 HydrophobicContact CG2-CD1 3.63Å; T110-L116 HydrophobicContact CG2-CG 4.14Å; P113-L116 WeakPolarHBondContact O-CB 3.3Å; P113-L116 PolarHBondContact O-N 2.92Å; E114-L116 PolarHBondContact O-N 3.15Å; L116-E118 PolarHBondContact O-N 3.15Å; L116-E118 VanDerWaalsContact O-N 3.09Å; L116-L119 HydrophobicContact CD2-CD1 4.45Å; L116-L119 PolarHBondContact O-N 3.37Å; L116-Q120 PolarHBondContact O-N 2.9Å; L116-C126 HydrophobicContact CB-CB 4.19Å; L116-C126 HydrophobicContact CD1-CB 3.97Å
117G96.3Very high97.1Very high24 Ų2463.7 Ų63.725%0.24731%0.311CS..Hα-helixtrans-50.2-38.6-175.800000114.8L119 Q120 K121G117-L119 PolarHBondContact O-N 3.24Å; G117-Q120 PolarHBondContact O-N 2.83Å; G117-K121 VanDerWaalsContact O-CG 3.32Å; G117-K121 WeakPolarHBondContact O-CG 3.37Å; G117-K121 PolarHBondContact O-N 3.35Å
118E95.7Very high97.1Very high130 Ų13067.2 Ų67.261%0.60733%0.325SS*.Hα-helixtrans-64.7-36.1176.5-61.7-53.3114.600113.2L116 K121 L122L116-E118 PolarHBondContact O-N 3.15Å; L116-E118 VanDerWaalsContact O-N 3.09Å; E118-K121 IonicContact OE1-NZ 3.67Å; E118-K121 PolarHBondContact OE1-NZ 3.3Å; E118-K121 IonicContact OE2-NZ 3.47Å; E118-L122 WeakPolarHBondContact O-CG 3.33Å; E118-L122 PolarHBondContact O-N 2.94Å
119L96.6Very high97Very high17 Ų1771 Ų719%0.08934%0.343CS..Hα-helixtrans-74.9-36.2176.1-63.5176.3000111.3K89 A92 I108 L116 G117 K121 L122 G123 I124K89-L119 HydrophobicContact CG-CD1 4.26Å; A92-L119 HydrophobicContact CB-CD1 4.08Å; A92-L119 HydrophobicContact CB-CD2 4.46Å; I108-L119 HydrophobicContact CD1-CD1 3.61Å; L116-L119 HydrophobicContact CD2-CD1 4.45Å; L116-L119 PolarHBondContact O-N 3.37Å; G117-L119 PolarHBondContact O-N 3.24Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 3.05Å; L119-L122 HydrophobicContact CD2-CD1 4.46Å; L119-L122 WeakPolarHBondContact O-CB 3.45Å; L119-L122 PolarHBondContact O-N 3.15Å; L119-L122 VanDerWaalsContact O-N 3.12Å; L119-G123 PolarHBondContact O-N 3.21Å; L119-I124 HydrophobicContact CB-CB 4.37Å; L119-I124 HydrophobicContact CB-CD1 4.14Å; L119-I124 HydrophobicContact CD2-CD1 4.03Å; L119-I124 WeakPolarHBondContact O-CB 3.47Å; L119-I124 PolarHBondContact O-N 2.99Å; L119-I124 VanDerWaalsContact O-N 3.16Å
120Q97.2Very high97Very high81 Ų8171.3 Ų71.338%0.37934%0.344SS..Hα-helixtrans-63-39.8174.6-68.8175.6-3700111.9L116 G117 L122 G123 I124 C126L116-Q120 PolarHBondContact O-N 2.9Å; G117-Q120 PolarHBondContact O-N 2.83Å; Q120-L122 PolarHBondContact O-N 3.4Å; Q120-G123 PolarHBondContact O-N 3.37Å; Q120-I124 WeakPolarHBondContact CA-O 3.42Å; Q120-C126 HydrophobicContact CG-CB 3.76Å; Q120-C126 PolarHBondContact NE2-O 3.29Å
121K97.4Very high97Very high159 Ų15971 Ų7169%0.69134%0.344SS*.Hα-helixtrans-61.3-27.4173.4-72.8171.1-173.4169.90113G117 E118 L119 G123G117-K121 VanDerWaalsContact O-CG 3.32Å; G117-K121 WeakPolarHBondContact O-CG 3.37Å; G117-K121 PolarHBondContact O-N 3.35Å; E118-K121 IonicContact OE1-NZ 3.67Å; E118-K121 PolarHBondContact OE1-NZ 3.3Å; E118-K121 IonicContact OE2-NZ 3.47Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 3.05Å; K121-G123 PolarHBondContact O-N 3.48Å
122L96.4Very high97.1Very high94 Ų9467.1 Ų67.149%0.49234%0.336SS..THydrogen-bonded Turntrans-82.54.8174.2-63.5172.2000113.1L96 A103 E118 L119 Q120L96-L122 HydrophobicContact CD2-CB 3.77Å; L96-L122 HydrophobicContact CD2-CD1 4.03Å; L96-L122 HydrophobicContact CD2-CG 4.42Å; A103-L122 WeakPolarHBondContact CB-O 3.4Å; E118-L122 WeakPolarHBondContact O-CG 3.33Å; E118-L122 PolarHBondContact O-N 2.94Å; L119-L122 HydrophobicContact CD2-CD1 4.46Å; L119-L122 WeakPolarHBondContact O-CB 3.45Å; L119-L122 PolarHBondContact O-N 3.15Å; L119-L122 VanDerWaalsContact O-N 3.12Å; Q120-L122 PolarHBondContact O-N 3.4Å
123G96.9Very high97.2Very high44 Ų4459 Ų5945%0.45431%0.305SS..THydrogen-bonded Turntrans91.8-3.5178.200000114.9L119 Q120 K121 K125L119-G123 PolarHBondContact O-N 3.21Å; Q120-G123 PolarHBondContact O-N 3.37Å; K121-G123 PolarHBondContact O-N 3.48Å; G123-K125 PolarHBondContact O-N 2.91Å
124I97.9Very high97.3Very high2 Ų257.8 Ų57.81%0.0130%0.297CS..  trans-73120.8-179.8-60.7172.2000109.6A92 L96 L106 I108 L119 Q120 C126A92-I124 HydrophobicContact CB-CD1 4.32Å; L96-I124 HydrophobicContact CB-CD1 4.47Å; L96-I124 HydrophobicContact CD2-CD1 4Å; L96-I124 HydrophobicContact CD2-CG1 4.32Å; L106-I124 HydrophobicContact CB-CG1 4.5Å; L106-I124 HydrophobicContact CD2-CD1 3.68Å; L106-I124 HydrophobicContact CD2-CG1 4.11Å; L106-I124 HydrophobicContact CG-CD1 4.37Å; L106-I124 HydrophobicContact CG-CG1 4.41Å; L106-I124 HydrophobicContact CG-CG2 4.22Å; L106-I124 WeakPolarHBondContact O-CG2 3.42Å; I108-I124 HydrophobicContact CD1-CG2 4.05Å; I108-I124 HydrophobicContact CG1-CG2 3.93Å; L119-I124 HydrophobicContact CB-CB 4.37Å; L119-I124 HydrophobicContact CB-CD1 4.14Å; L119-I124 HydrophobicContact CD2-CD1 4.03Å; L119-I124 WeakPolarHBondContact O-CB 3.47Å; L119-I124 PolarHBondContact O-N 2.99Å; L119-I124 VanDerWaalsContact O-N 3.16Å; Q120-I124 WeakPolarHBondContact CA-O 3.42Å; I124-C126 PolarHBondContact O-N 3.45Å; I124-C126 VanDerWaalsContact O-N 3.15Å; I124-C126 PolarHBondContact O-SG 2.85Å
125K98.1Very high97.3Very high115 Ų11554.8 Ų54.850%0.529%0.29SS..EExtended strand (participates in β ladder)trans-71.7113176.2-171.6-177.1179.2177.90110.2R107 I108 G123 F127R107-K125 WeakPolarHBondContact CA-O 3.48Å; R107-K125 HydrophobicContact CG-CB 4.13Å; I108-K125 PolarHBondContact N-O 2.85Å; G123-K125 PolarHBondContact O-N 2.91Å; K125-F127 HydrophobicContact CD-CD1 4.31Å; K125-F127 HydrophobicContact CD-CE1 4.37Å; K125-F127 HydrophobicContact CG-CD1 3.99Å; K125-F127 HydrophobicContact CG-CE1 4.36Å
126C98.4Very high97.4Very high12 Ų1254.5 Ų54.58%0.08128%0.279CS..EExtended strand (participates in β ladder)trans-111.9125.6176.7-58.30000110.5I108 P113 L116 Q120 I124I108-C126 WeakPolarHBondContact O-CA 3.43Å; P113-C126 HydrophobicContact CB-CB 4.28Å; L116-C126 HydrophobicContact CB-CB 4.19Å; L116-C126 HydrophobicContact CD1-CB 3.97Å; Q120-C126 HydrophobicContact CG-CB 3.76Å; Q120-C126 PolarHBondContact NE2-O 3.29Å; I124-C126 PolarHBondContact O-N 3.45Å; I124-C126 VanDerWaalsContact O-N 3.15Å; I124-C126 PolarHBondContact O-SG 2.85Å
127F98.4Very high97.5Very high36 Ų3654.5 Ų54.516%0.15828%0.28CS..EExtended strand (participates in β ladder)trans-150.8-174.9-176.759.8-78.9000110.9R107 I108 S109 T110 K125 H129 D132 L133R107-F127 HydrophobicContact CB-CE1 4.07Å; R107-F127 HydrophobicContact CG-CE1 4.47Å; I108-F127 PolarHBondContact O-N 3.03Å; S109-F127 CarbonylContact C-O 3.57Å; S109-F127 VanDerWaalsContact CA-O 3.26Å; S109-F127 WeakPolarHBondContact CA-O 3.36Å; T110-F127 PolarHBondContact N-O 3Å; K125-F127 HydrophobicContact CD-CD1 4.31Å; K125-F127 HydrophobicContact CD-CE1 4.37Å; K125-F127 HydrophobicContact CG-CD1 3.99Å; K125-F127 HydrophobicContact CG-CE1 4.36Å; F127-H129 HydrophobicContact CD2-CB 3.8Å; F127-H129 HydrophobicContact CE2-CB 3.88Å; F127-H129 VanDerWaalsContact CE2-O 3.28Å; F127-H129 WeakPolarHBondContact CE2-O 3.49Å; F127-D132 HydrophobicContact CE2-CB 4.21Å; F127-L133 HydrophobicContact CE2-CB 4.3Å; F127-L133 HydrophobicContact CZ-CB 3.85Å; F127-L133 HydrophobicContact CZ-CD1 4.38Å
128Y97.6Very high97.5Very high130 Ų13055 Ų5551%0.5128%0.277SS..SBendtrans-127.786.1174.5-174.2-150.1000111.7T110 R111T110-Y128 WeakPolarHBondContact O-CB 3.37Å; R111-Y128 HydrophobicContact CG-CD2 4.43Å; R111-Y128 HydrophobicContact CG-CE1 4.14Å; R111-Y128 HydrophobicContact CG-CE2 3.85Å
129H97.3Very high97.7Very high81 Ų8148.8 Ų48.838%0.37525%0.248SC..  trans-163.1100.5174-160.6-62.7000108.7S109 F127 D132 L133S109-H129 PolarHBondContact OG-N 3.03Å; S109-H129 VanDerWaalsContact OG-N 3.13Å; F127-H129 HydrophobicContact CD2-CB 3.8Å; F127-H129 HydrophobicContact CE2-CB 3.88Å; F127-H129 VanDerWaalsContact CE2-O 3.28Å; F127-H129 WeakPolarHBondContact CE2-O 3.49Å; H129-D132 HydrophobicContact CB-CB 4.21Å; H129-D132 IonicContact CD2-OD2 3.85Å; H129-D132 IonicContact CE1-OD1 3.99Å; H129-D132 PolarHBondContact CE1-OD1 2.78Å; H129-D132 IonicContact CE1-OD2 3.99Å; H129-D132 IonicContact CG-OD1 3.7Å; H129-D132 IonicContact CG-OD2 3.76Å; H129-D132 PolarHBondContact ND1-N 2.87Å; H129-D132 IonicContact ND1-OD1 3.55Å; H129-D132 PolarHBondContact ND1-OD1 3.42Å; H129-D132 IonicContact ND1-OD2 3.59Å; H129-D132 IonicContact NE2-OD1 2.97Å; H129-D132 IonicContact NE2-OD2 2.78Å; H129-L133 PolarHBondContact O-N 3.01Å
130N98.3Very high97.8Very high6 Ų648 Ų483%0.03224%0.243CC..Hα-helixtrans-73.1-38.3-171-58-44.9000111.6I82 S109 L133 V134 E155 I156I82-N130 HydrophobicContact CD1-CB 4.05Å; S109-N130 VanDerWaalsContact CB-OD1 3.28Å; S109-N130 WeakPolarHBondContact CB-OD1 3.4Å; S109-N130 PolarHBondContact OG-OD1 2.84Å; N130-L133 PolarHBondContact O-N 3.02Å; N130-L133 VanDerWaalsContact O-N 3.15Å; N130-V134 WeakPolarHBondContact O-CG1 3.49Å; N130-V134 PolarHBondContact O-N 2.93Å; N130-E155 HydrophobicContact CB-CG 4.47Å; N130-E155 WeakPolarHBondContact CB-OE1 3.19Å; N130-E155 PolarHBondContact N-OE1 3.44Å; N130-E155 PolarHBondContact ND2-OE1 2.87Å; N130-E155 PolarHBondContact ND2-OE2 2.84Å; N130-I156 HydrophobicContact CB-CG2 3.44Å; N130-I156 VanDerWaalsContact CB-CG2 3.44Å
131A97.7Very high97.9Very high16 Ų1644.1 Ų44.113%0.13223%0.225CC..Hα-helixtrans-57-53179.300000112.6L133 V134 S135A131-L133 VanDerWaalsContact C-N 3.27Å; A131-L133 PolarHBondContact O-N 3.36Å; A131-V134 WeakPolarHBondContact O-CG2 3.16Å; A131-V134 PolarHBondContact O-N 3.29Å; A131-S135 PolarHBondContact O-N 2.98Å; A131-S135 PolarHBondContact O-OG 3.21Å
132D97.8Very high97.9Very high84 Ų8436.5 Ų36.545%0.44919%0.192SC..Hα-helixtrans-55.7-35.6173-68.33.6000114.6F127 H129 S135 W136F127-D132 HydrophobicContact CE2-CB 4.21Å; H129-D132 HydrophobicContact CB-CB 4.21Å; H129-D132 IonicContact CD2-OD2 3.85Å; H129-D132 IonicContact CE1-OD1 3.99Å; H129-D132 PolarHBondContact CE1-OD1 2.78Å; H129-D132 IonicContact CE1-OD2 3.99Å; H129-D132 IonicContact CG-OD1 3.7Å; H129-D132 IonicContact CG-OD2 3.76Å; H129-D132 PolarHBondContact ND1-N 2.87Å; H129-D132 IonicContact ND1-OD1 3.55Å; H129-D132 PolarHBondContact ND1-OD1 3.42Å; H129-D132 IonicContact ND1-OD2 3.59Å; H129-D132 IonicContact NE2-OD1 2.97Å; H129-D132 IonicContact NE2-OD2 2.78Å; D132-S135 PolarHBondContact O-OG 3.12Å; D132-W136 WeakPolarHBondContact O-CB 3.49Å; D132-W136 PolarHBondContact O-N 3.31Å
133L98.6Very high98Very high0 Ų032.8 Ų32.80%017%0.174CC..Hα-helixtrans-69.6-45.2176.9179.7148.6000110.8I81 I82 R107 F127 H129 N130 A131 W136 A137 I140I81-L133 WeakPolarHBondContact O-CD1 3.48Å; I82-L133 HydrophobicContact CD1-CD2 4.43Å; I82-L133 HydrophobicContact CG1-CD2 3.89Å; R107-L133 HydrophobicContact CB-CD1 4.27Å; F127-L133 HydrophobicContact CE2-CB 4.3Å; F127-L133 HydrophobicContact CZ-CB 3.85Å; F127-L133 HydrophobicContact CZ-CD1 4.38Å; H129-L133 PolarHBondContact O-N 3.01Å; N130-L133 PolarHBondContact O-N 3.02Å; N130-L133 VanDerWaalsContact O-N 3.15Å; A131-L133 VanDerWaalsContact C-N 3.27Å; A131-L133 PolarHBondContact O-N 3.36Å; L133-W136 PolarHBondContact O-N 3.31Å; L133-A137 VanDerWaalsContact O-CB 3.28Å; L133-A137 WeakPolarHBondContact O-CB 3.28Å; L133-A137 PolarHBondContact O-N 3.13Å; L133-A137 VanDerWaalsContact O-N 3.08Å; L133-I140 HydrophobicContact CD2-CG2 4.22Å
134V98.1Very high97.9Very high0 Ų031.4 Ų31.40%016%0.157CC..Hα-helixtrans-73.7-31-176.4-57.30000113.3I82 N130 A131 W136 I140 I156 L160I82-V134 HydrophobicContact CD1-CG1 3.73Å; N130-V134 WeakPolarHBondContact O-CG1 3.49Å; N130-V134 PolarHBondContact O-N 2.93Å; A131-V134 WeakPolarHBondContact O-CG2 3.16Å; A131-V134 PolarHBondContact O-N 3.29Å; V134-W136 VanDerWaalsContact C-N 3.26Å; V134-W136 PolarHBondContact O-N 3.01Å; V134-I140 HydrophobicContact CB-CG1 4.2Å; V134-I140 HydrophobicContact CG1-CG1 4.05Å; V134-I140 HydrophobicContact CG1-CG2 3.95Å; V134-I156 HydrophobicContact CG1-CB 4.02Å; V134-I156 HydrophobicContact CG1-CD1 4.14Å; V134-I156 HydrophobicContact CG1-CG2 3.93Å; V134-I156 HydrophobicContact CG2-CB 3.88Å; V134-I156 HydrophobicContact CG2-CG2 4.18Å; V134-L160 HydrophobicContact CB-CD2 3.98Å; V134-L160 HydrophobicContact CG1-CD2 4.34Å; V134-L160 HydrophobicContact CG2-CD2 4.45Å
135S97.3Very high97.8Very high66 Ų6636.2 Ų36.246%0.46218%0.182SC..Hα-helixtrans-72.2-24.2176.362.70000112.3A131 D132A131-S135 PolarHBondContact O-N 2.98Å; A131-S135 PolarHBondContact O-OG 3.21Å; D132-S135 PolarHBondContact O-OG 3.12Å
136W97.3Very high97.6Very high41 Ų4133.4 Ų33.416%0.15518%0.176CC..Hα-helixtrans-88.6-32.5177.9167.382.9000113.4K78 V79 S105 R107 D132 L133 V134K78-W136 HydrophobicContact CB-CD2 4.21Å; K78-W136 HydrophobicContact CB-CE3 4.26Å; K78-W136 HydrophobicContact CB-CH2 3.72Å; K78-W136 HydrophobicContact CB-CZ2 3.66Å; K78-W136 HydrophobicContact CB-CZ3 4.02Å; K78-W136 HydrophobicContact CD-CD2 4.21Å; K78-W136 HydrophobicContact CD-CG 4.39Å; K78-W136 HydrophobicContact CD-CZ2 4.08Å; K78-W136 WeakPolarHBondContact CD-O 3.36Å; K78-W136 HydrophobicContact CG-CD2 4.39Å; K78-W136 HydrophobicContact CG-CH2 4.1Å; K78-W136 HydrophobicContact CG-CZ2 3.52Å; V79-W136 WeakPolarHBondContact O-CZ3 3.42Å; S105-W136 WeakPolarHBondContact O-CH2 3.41Å; R107-W136 HydrophobicContact CB-CE3 4.26Å; R107-W136 HydrophobicContact CB-CH2 4.02Å; R107-W136 HydrophobicContact CB-CZ3 3.63Å; R107-W136 HydrophobicContact CG-CE3 4.08Å; R107-W136 HydrophobicContact CG-CH2 3.41Å; R107-W136 VanDerWaalsContact CG-CH2 3.41Å; R107-W136 HydrophobicContact CG-CZ2 3.96Å; R107-W136 HydrophobicContact CG-CZ3 3.48Å; R107-W136 VanDerWaalsContact CG-CZ3 3.48Å; R107-W136 VanDerWaalsContact CZ-NE1 3.25Å; R107-W136 VanDerWaalsContact NH1-CD1 3.27Å; R107-W136 VanDerWaalsContact NH1-CG 3.25Å; D132-W136 WeakPolarHBondContact O-CB 3.49Å; D132-W136 PolarHBondContact O-N 3.31Å; L133-W136 PolarHBondContact O-N 3.31Å; V134-W136 VanDerWaalsContact C-N 3.26Å; V134-W136 PolarHBondContact O-N 3.01Å
137A98.1Very high97.4Very high6 Ų637.4 Ų37.45%0.0520%0.204CC..  trans-87.3143.5-168.500000113.9L133 I140L133-A137 VanDerWaalsContact O-CB 3.28Å; L133-A137 WeakPolarHBondContact O-CB 3.28Å; L133-A137 PolarHBondContact O-N 3.13Å; L133-A137 VanDerWaalsContact O-N 3.08Å; A137-I140 HydrophobicContact CB-CD1 4.24Å; A137-I140 HydrophobicContact CB-CG1 3.95Å
138D97.6Very high97.2Very high34 Ų3438 Ų3818%0.18221%0.207CC..SBendtrans-81.8-36.3169.8-59.6-65.7000111.5R52 F77 K78 S164 I165R52-D138 IonicContact CZ-OD1 3.25Å; R52-D138 IonicContact CZ-OD2 3.24Å; R52-D138 VanDerWaalsContact NH1-CG 3.25Å; R52-D138 IonicContact NH1-OD1 3.25Å; R52-D138 PolarHBondContact NH1-OD1 3.03Å; R52-D138 IonicContact NH1-OD2 2.8Å; R52-D138 PolarHBondContact NH1-OD2 3.24Å; R52-D138 IonicContact NH2-OD1 2.63Å; R52-D138 PolarHBondContact NH2-OD1 3.26Å; R52-D138 IonicContact NH2-OD2 3.78Å; R52-D138 PolarHBondContact NH2-OD2 3.44Å; F77-D138 HydrophobicContact CD2-CB 4.26Å; F77-D138 HydrophobicContact CE2-CB 4.3Å; K78-D138 PolarHBondContact N-OD2 2.76Å; K78-D138 WeakPolarHBondContact O-CB 3.2Å; K78-D138 PolarHBondContact O-N 3.2Å; D138-S164 CarbonylContact O-C 3.57Å; D138-S164 WeakPolarHBondContact O-CA 3.46Å; D138-I165 PolarHBondContact O-N 3.01Å
139V98.6Very high97.1Very high0 Ų031.8 Ų31.80%018%0.183CC..EExtended strand (participates in β ladder)trans-125125.7176.4178.30000109.3F44 L48 F77 K78 G80 F141 I165F44-V139 HydrophobicContact CE1-CG1 4.11Å; F44-V139 HydrophobicContact CE1-CG2 4.22Å; L48-V139 HydrophobicContact CD1-CG2 3.65Å; F77-V139 HydrophobicContact CE2-CG2 3.68Å; F77-V139 HydrophobicContact CZ-CB 4.49Å; F77-V139 HydrophobicContact CZ-CG2 3.83Å; K78-V139 PolarHBondContact O-N 2.97Å; G80-V139 PolarHBondContact N-O 3.43Å; V139-F141 HydrophobicContact CG1-CD2 4.18Å; V139-F141 HydrophobicContact CG1-CE1 4.44Å; V139-F141 HydrophobicContact CG1-CE2 3.68Å; V139-F141 HydrophobicContact CG1-CZ 3.83Å; V139-I165 CarbonylContact C-O 3.28Å; V139-I165 WeakPolarHBondContact CA-O 3.47Å; V139-I165 HydrophobicContact CG2-CB 4.39Å
140I98.8Very high97Very high0 Ų030.7 Ų30.70%018%0.183CC..EExtended strand (participates in β ladder)trans-114.4113.3-179.1-5787.5000109.2G80 I82 L133 V134 A137 L142 L160 I165 V166 Y167G80-I140 CarbonylContact O-C 3.58Å; G80-I140 WeakPolarHBondContact O-CA 3.28Å; I82-I140 HydrophobicContact CD1-CG2 3.99Å; I82-I140 HydrophobicContact CG1-CG2 4.24Å; L133-I140 HydrophobicContact CD2-CG2 4.22Å; V134-I140 HydrophobicContact CB-CG1 4.2Å; V134-I140 HydrophobicContact CG1-CG1 4.05Å; V134-I140 HydrophobicContact CG1-CG2 3.95Å; A137-I140 HydrophobicContact CB-CD1 4.24Å; A137-I140 HydrophobicContact CB-CG1 3.95Å; I140-L142 HydrophobicContact CG2-CD2 4.13Å; I140-L160 HydrophobicContact CD1-CD2 4.18Å; I140-I165 PolarHBondContact N-O 3.13Å; I140-V166 CarbonylContact O-C 3.5Å; I140-V166 WeakPolarHBondContact O-CA 3.41Å; I140-Y167 PolarHBondContact O-N 3.37Å
141F98.9Very high96.9Very high0 Ų036.2 Ų36.20%021%0.213CC..EExtended strand (participates in β ladder)trans-87.7121.3172.1-67.5-78.7000111.3A41 V79 G80 I81 I82 L91 L95 V139 C143 Y167 F169A41-F141 HydrophobicContact CB-CD1 4.34Å; A41-F141 HydrophobicContact CB-CE1 3.44Å; A41-F141 VanDerWaalsContact CB-CE1 3.44Å; A41-F141 HydrophobicContact CB-CZ 3.74Å; V79-F141 HydrophobicContact CG1-CD2 3.68Å; V79-F141 HydrophobicContact CG1-CE2 3.51Å; G80-F141 PolarHBondContact O-N 3.29Å; I81-F141 HydrophobicContact CG1-CB 4.2Å; I81-F141 HydrophobicContact CG1-CD2 4.26Å; I82-F141 PolarHBondContact N-O 3.15Å; L91-F141 HydrophobicContact CD2-CB 3.87Å; L91-F141 HydrophobicContact CD2-CD1 3.86Å; L91-F141 HydrophobicContact CD2-CD2 4.06Å; L91-F141 HydrophobicContact CD2-CE1 4.43Å; L91-F141 HydrophobicContact CD2-CG 3.66Å; L95-F141 HydrophobicContact CD1-CD2 4.34Å; L95-F141 HydrophobicContact CD1-CE2 3.9Å; V139-F141 HydrophobicContact CG1-CD2 4.18Å; V139-F141 HydrophobicContact CG1-CE1 4.44Å; V139-F141 HydrophobicContact CG1-CE2 3.68Å; V139-F141 HydrophobicContact CG1-CZ 3.83Å; F141-C143 PolarHBondContact O-N 2.98Å; F141-Y167 CarbonylContact C-O 3.52Å; F141-Y167 VanDerWaalsContact CA-O 3.3Å; F141-Y167 WeakPolarHBondContact CA-O 3.19Å; F141-Y167 AromaticContact CD1-CD1 3.7Å; F141-Y167 HydrophobicContact CD1-CD1 3.7Å; F141-Y167 HydrophobicContact CD1-CD2 4.43Å; F141-Y167 AromaticContact CD1-CG 3.64Å; F141-Y167 HydrophobicContact CD1-CG 3.64Å; F141-Y167 AromaticContact CE1-CD1 3.72Å; F141-Y167 HydrophobicContact CE1-CD1 3.72Å; F141-Y167 AromaticContact CE1-CD2 3.74Å; F141-Y167 HydrophobicContact CE1-CD2 3.74Å; F141-Y167 HydrophobicContact CE1-CE1 4.32Å; F141-Y167 HydrophobicContact CE1-CE2 4.32Å; F141-Y167 AromaticContact CE1-CG 3.41Å; F141-Y167 HydrophobicContact CE1-CG 3.41Å; F141-Y167 VanDerWaalsContact CE1-CG 3.41Å; F141-Y167 HydrophobicContact CZ-CG 4.49Å; F141-F169 HydrophobicContact CD1-CD2 4.35Å; F141-F169 AromaticContact CD1-CE2 3.63Å; F141-F169 HydrophobicContact CD1-CE2 3.63Å; F141-F169 HydrophobicContact CD1-CZ 4.45Å; F141-F169 HydrophobicContact CE1-CE2 4.18Å
142L98.6Very high96.9Very high0 Ų036.2 Ų36.20%021%0.21CC..EExtended strand (participates in β ladder)trans-89.999.8171.2-54.6-177.7000109.7I82 I140 L149 I156 V166 Y167 F169 V170 L182I82-L142 HydrophobicContact CB-CD2 4.18Å; I82-L142 HydrophobicContact CD1-CD2 3.88Å; I82-L142 HydrophobicContact CG1-CD2 4.44Å; I140-L142 HydrophobicContact CG2-CD2 4.13Å; L142-L149 HydrophobicContact CD1-CD1 3.87Å; L142-I156 HydrophobicContact CD2-CD1 4.37Å; L142-V166 HydrophobicContact CD1-CG1 3.58Å; L142-V166 HydrophobicContact CD2-CG1 4.42Å; L142-V166 HydrophobicContact CG-CG1 3.76Å; L142-Y167 PolarHBondContact N-O 3.18Å; L142-F169 PolarHBondContact O-N 3.28Å; L142-F169 VanDerWaalsContact O-N 3.14Å; L142-V170 HydrophobicContact CB-CG2 4.22Å; L142-L182 HydrophobicContact CD1-CD1 4.33Å
143C97.9Very high96.9Very high16 Ų1632.2 Ų32.211%0.10819%0.189CC..  trans-111.831.8179.4-64.80000111.7I81 I82 F141I81-C143 HydrophobicContact CG2-CB 4.09Å; I82-C143 CarbonylContact O-C 3.08Å; I82-C143 WeakPolarHBondContact O-CA 3.25Å; I82-C143 PolarHBondContact O-N 3.23Å; F141-C143 PolarHBondContact O-N 2.98Å
144C95.6Very high96.8Very high14 Ų1437.2 Ų37.210%0.09522%0.219CC..SBendtrans-94.2166.2179.963.80000112.3I82 Q148 I152I82-C144 PolarHBondContact O-N 2.98Å; C144-Q148 HydrophobicContact CB-CB 4.42Å; C144-I152 HydrophobicContact CB-CD1 3.49Å; C144-I152 VanDerWaalsContact CB-CD1 3.49Å; C144-I152 VanDerWaalsContact SG-CD1 3.57Å
145L94.3Very high96.7Very high103 Ų10340.4 Ų40.454%0.53923%0.234SC..  trans-71.9147.7173.5-62.9175.7000110.4S147 Q148 L149L145-S147 PolarHBondContact O-N 3.41Å; L145-S147 VanDerWaalsContact O-N 3.12Å; L145-Q148 HydrophobicContact CB-CG 4.18Å; L145-Q148 VanDerWaalsContact N-OE1 3.09Å; L145-Q148 WeakPolarHBondContact O-CB 3.44Å; L145-Q148 PolarHBondContact O-N 3.48Å; L145-L149 PolarHBondContact O-N 3.08Å
146P93.9Very high96.7Very high57 Ų5737.3 Ų37.337%0.3721%0.212SC..THydrogen-bonded Turntrans-53.4-36.2178.4-27.634.1000114.7Q148 L149 V170 A172P146-Q148 PolarHBondContact O-N 3.23Å; P146-L149 PolarHBondContact O-N 3.45Å; P146-V170 HydrophobicContact CB-CG1 3.96Å; P146-V170 HydrophobicContact CG-CG1 3.85Å; P146-A172 HydrophobicContact CB-CB 3.95Å; P146-A172 HydrophobicContact CG-CB 3.9Å
147S94.3Very high96.6Very high96 Ų9638.9 Ų38.967%0.67122%0.221SC*.THydrogen-bonded Turntrans-67.5-21.517855.20000114L145L145-S147 PolarHBondContact O-N 3.41Å; L145-S147 VanDerWaalsContact O-N 3.12Å
148Q94.3Very high96.5Very high48 Ų4844 Ų4422%0.22425%0.252CS..THydrogen-bonded Turntrans-89.3-23.9-179.9-63.9166.7-16.700112.2R111 C144 L145 P146 N151 I152R111-Q148 VanDerWaalsContact NH2-NE2 3.12Å; C144-Q148 HydrophobicContact CB-CB 4.42Å; L145-Q148 HydrophobicContact CB-CG 4.18Å; L145-Q148 VanDerWaalsContact N-OE1 3.09Å; L145-Q148 WeakPolarHBondContact O-CB 3.44Å; L145-Q148 PolarHBondContact O-N 3.48Å; P146-Q148 PolarHBondContact O-N 3.23Å; Q148-N151 PolarHBondContact O-N 3.43Å; Q148-I152 HydrophobicContact CB-CD1 3.96Å; Q148-I152 PolarHBondContact O-N 2.7Å
149L95.6Very high96.5Very high0 Ų043.9 Ų43.90%025%0.254CS..Hα-helixtrans-57.2-44.7-170.5-177.870.3000113.7L142 L145 P146 N151 I152 C153 V170 V173 L178L142-L149 HydrophobicContact CD1-CD1 3.87Å; L145-L149 PolarHBondContact O-N 3.08Å; P146-L149 PolarHBondContact O-N 3.45Å; L149-N151 VanDerWaalsContact C-N 3.3Å; L149-N151 PolarHBondContact O-N 2.89Å; L149-I152 PolarHBondContact O-N 3.24Å; L149-C153 WeakPolarHBondContact O-CB 3.36Å; L149-C153 PolarHBondContact O-N 2.89Å; L149-C153 PolarHBondContact O-SG 3.05Å; L149-V170 HydrophobicContact CD1-CG2 4.31Å; L149-V170 HydrophobicContact CD2-CB 4.3Å; L149-V170 HydrophobicContact CD2-CG1 4.06Å; L149-V170 HydrophobicContact CD2-CG2 4.46Å; L149-V173 HydrophobicContact CD2-CB 3.86Å; L149-V173 HydrophobicContact CD2-CG1 3.89Å; L149-V173 HydrophobicContact CD2-CG2 3.73Å; L149-L178 HydrophobicContact CD1-CD2 4.46Å; L149-L178 HydrophobicContact CD2-CD2 3.64Å
150P95.4Very high96.4Very high57 Ų5745 Ų4537%0.3726%0.26SS..Hα-helixtrans-56.4-43.1-179.8-26.636000113.4C153 V154P150-C153 PolarHBondContact O-N 2.83Å; P150-V154 WeakPolarHBondContact O-CG2 3.28Å; P150-V154 PolarHBondContact O-N 3.47Å; P150-V154 VanDerWaalsContact O-N 3.13Å
151N96.4Very high96.2Very high123 Ų12350.5 Ų50.566%0.65829%0.285SS*.Hα-helixtrans-69.2-41179.6-66.1-15.9000111.5Q148 L149 C153 V154 E155Q148-N151 PolarHBondContact O-N 3.43Å; L149-N151 VanDerWaalsContact C-N 3.3Å; L149-N151 PolarHBondContact O-N 2.89Å; N151-C153 VanDerWaalsContact C-N 3.34Å; N151-C153 PolarHBondContact O-N 2.8Å; N151-V154 PolarHBondContact O-N 3.12Å; N151-E155 PolarHBondContact O-N 3.01Å; N151-E155 VanDerWaalsContact O-N 3.1Å
152I97.3Very high95.9Very high16 Ų1656.8 Ų56.88%0.08231%0.312CS..Hα-helixtrans-61.2-44.8175.2-68.8165.7000110.3I82 C144 Q148 L149 V154 E155 I156I82-I152 HydrophobicContact CD1-CG2 4.2Å; I82-I152 HydrophobicContact CG2-CD1 4.01Å; I82-I152 HydrophobicContact CG2-CG2 4.03Å; C144-I152 HydrophobicContact CB-CD1 3.49Å; C144-I152 VanDerWaalsContact CB-CD1 3.49Å; C144-I152 VanDerWaalsContact SG-CD1 3.57Å; Q148-I152 HydrophobicContact CB-CD1 3.96Å; Q148-I152 PolarHBondContact O-N 2.7Å; L149-I152 PolarHBondContact O-N 3.24Å; I152-V154 PolarHBondContact O-N 3.44Å; I152-E155 WeakPolarHBondContact O-CB 3.28Å; I152-E155 PolarHBondContact O-N 3.46Å; I152-E155 VanDerWaalsContact O-N 3.13Å; I152-I156 HydrophobicContact CG2-CD1 4.04Å; I152-I156 HydrophobicContact CG2-CG2 4.42Å; I152-I156 WeakPolarHBondContact O-CG1 3.42Å; I152-I156 PolarHBondContact O-N 2.8Å
153C97.3Very high95.7Very high0 Ų060 Ų600%033%0.333CS..Hα-helixtrans-59.8-44.1178.4-70.10000112.1L149 P150 N151 E155 I156 H157 L181 L182L149-C153 WeakPolarHBondContact O-CB 3.36Å; L149-C153 PolarHBondContact O-N 2.89Å; L149-C153 PolarHBondContact O-SG 3.05Å; P150-C153 PolarHBondContact O-N 2.83Å; N151-C153 VanDerWaalsContact C-N 3.34Å; N151-C153 PolarHBondContact O-N 2.8Å; C153-E155 VanDerWaalsContact C-N 3.27Å; C153-E155 PolarHBondContact O-N 2.84Å; C153-I156 PolarHBondContact O-N 2.76Å; C153-H157 VanDerWaalsContact O-CB 3.31Å; C153-H157 WeakPolarHBondContact O-CB 3.3Å; C153-H157 PolarHBondContact O-N 2.84Å; C153-H157 PolarHBondContact O-ND1 3.21Å; C153-L181 HydrophobicContact CB-CB 3.84Å; C153-L182 HydrophobicContact CB-CD2 4.1Å; C153-L182 VanDerWaalsContact SG-CD2 3.51Å
154V96.8Very high95.7Very high104 Ų10459.4 Ų59.463%0.6333%0.328SS*.Hα-helixtrans-58.5-41.5174.9171.30000111P150 N151 I152 H157P150-V154 WeakPolarHBondContact O-CG2 3.28Å; P150-V154 PolarHBondContact O-N 3.47Å; P150-V154 VanDerWaalsContact O-N 3.13Å; N151-V154 PolarHBondContact O-N 3.12Å; I152-V154 PolarHBondContact O-N 3.44Å; V154-H157 PolarHBondContact O-CE1 3.44Å; V154-H157 VanDerWaalsContact O-CE1 3.31Å; V154-H157 PolarHBondContact O-ND1 3.02Å
155E97.1Very high95.8Very high68 Ų6858.9 Ų58.932%0.31832%0.324SS..Hα-helixtrans-66-40.3179-171.1-171.6156.200113.1N130 N151 I152 C153N130-E155 HydrophobicContact CB-CG 4.47Å; N130-E155 WeakPolarHBondContact CB-OE1 3.19Å; N130-E155 PolarHBondContact N-OE1 3.44Å; N130-E155 PolarHBondContact ND2-OE1 2.87Å; N130-E155 PolarHBondContact ND2-OE2 2.84Å; N151-E155 PolarHBondContact O-N 3.01Å; N151-E155 VanDerWaalsContact O-N 3.1Å; I152-E155 WeakPolarHBondContact O-CB 3.28Å; I152-E155 PolarHBondContact O-N 3.46Å; I152-E155 VanDerWaalsContact O-N 3.13Å; C153-E155 VanDerWaalsContact C-N 3.27Å; C153-E155 PolarHBondContact O-N 2.84Å
156I97.8Very high96Very high0 Ų054 Ų540%030%0.299CS..Hα-helixtrans-100.7-18.7-167.571.4179.9000115.3I82 N130 V134 L142 I152 C153 T158 S159 L160 L182I82-I156 HydrophobicContact CD1-CD1 4.02Å; I82-I156 HydrophobicContact CD1-CG2 4.21Å; N130-I156 HydrophobicContact CB-CG2 3.44Å; N130-I156 VanDerWaalsContact CB-CG2 3.44Å; V134-I156 HydrophobicContact CG1-CB 4.02Å; V134-I156 HydrophobicContact CG1-CD1 4.14Å; V134-I156 HydrophobicContact CG1-CG2 3.93Å; V134-I156 HydrophobicContact CG2-CB 3.88Å; V134-I156 HydrophobicContact CG2-CG2 4.18Å; L142-I156 HydrophobicContact CD2-CD1 4.37Å; I152-I156 HydrophobicContact CG2-CD1 4.04Å; I152-I156 HydrophobicContact CG2-CG2 4.42Å; I152-I156 WeakPolarHBondContact O-CG1 3.42Å; I152-I156 PolarHBondContact O-N 2.8Å; C153-I156 PolarHBondContact O-N 2.76Å; I156-T158 PolarHBondContact O-N 3.42Å; I156-T158 VanDerWaalsContact O-N 3.11Å; I156-S159 PolarHBondContact O-N 3.29Å; I156-L160 HydrophobicContact CG1-CD1 4.42Å; I156-L160 PolarHBondContact O-N 3Å; I156-L182 HydrophobicContact CD1-CD2 3.72Å; I156-L182 HydrophobicContact CG1-CD2 3.92Å
157H94.6Very high96.3Very high75 Ų7551.2 Ų51.235%0.34728%0.281SS..THydrogen-bonded Turntrans-59.3-30.2-167.673.5-69.1000114.5C153 V154C153-H157 VanDerWaalsContact O-CB 3.31Å; C153-H157 WeakPolarHBondContact O-CB 3.3Å; C153-H157 PolarHBondContact O-N 2.84Å; C153-H157 PolarHBondContact O-ND1 3.21Å; V154-H157 PolarHBondContact O-CE1 3.44Å; V154-H157 VanDerWaalsContact O-CE1 3.31Å; V154-H157 PolarHBondContact O-ND1 3.02Å
158T95.3Very high96.5Very high112 Ų11246.7 Ų46.769%0.68725%0.249SC*.THydrogen-bonded Turntrans-82.5-12.8176.850.80000114I156I156-T158 PolarHBondContact O-N 3.42Å; I156-T158 VanDerWaalsContact O-N 3.11Å
159S96.9Very high96.6Very high32 Ų3245.8 Ų45.822%0.22425%0.245CC..THydrogen-bonded Turntrans-104.7-1.8-176.2-58.70000112.7I156I156-S159 PolarHBondContact O-N 3.29Å
160L96.6Very high96.5Very high24 Ų2446 Ų4613%0.12625%0.246CC..  trans-78.7119.4176.8-75.5169.2000110.6V134 I140 I156 V166 L182 H184V134-L160 HydrophobicContact CB-CD2 3.98Å; V134-L160 HydrophobicContact CG1-CD2 4.34Å; V134-L160 HydrophobicContact CG2-CD2 4.45Å; I140-L160 HydrophobicContact CD1-CD2 4.18Å; I156-L160 HydrophobicContact CG1-CD1 4.42Å; I156-L160 PolarHBondContact O-N 3Å; L160-V166 HydrophobicContact CD1-CG2 4.15Å; L160-V166 HydrophobicContact CD2-CG2 3.68Å; L160-L182 HydrophobicContact CD1-CB 4.18Å; L160-L182 HydrophobicContact CD1-CD2 4.04Å; L160-H184 HydrophobicContact CD1-CB 4.33Å
161E95.3Very high95.8Very high115 Ų11547 Ų4754%0.53726%0.259SS..  trans-67.1142.9168.9-73.2-60.615200110.7T163 S164 H184E161-T163 PolarHBondContact O-N 3.26Å; E161-T163 VanDerWaalsContact O-N 3.11Å; E161-S164 WeakPolarHBondContact O-CB 3.38Å; E161-S164 PolarHBondContact O-N 3.26Å; E161-S164 PolarHBondContact O-OG 3.35Å; E161-H184 PolarHBondContact O-CE1 3.21Å
162K93.6Very high95.3Very high132 Ų13244.7 Ų44.757%0.57426%0.257SS*.THydrogen-bonded Turntrans-55.5-34.4179-178.5-178.5175.5-174.60112.2H184 W306K162-H184 PolarHBondContact O-CE1 3.32Å; K162-W306 HydrophobicContact CG-CH2 4.41Å; K162-W306 HydrophobicContact CG-CZ2 4.13Å; K162-W306 WeakPolarHBondContact O-CH2 3.33Å; K162-W306 VanDerWaalsContact O-CZ2 3.29Å; K162-W306 WeakPolarHBondContact O-CZ2 3.24Å
163T94.3Very high95.1Very high69 Ų6944.9 Ų44.942%0.42326%0.259SS..THydrogen-bonded Turntrans-84.5-17.9-178.653.50000113.4E161 N186 A250E161-T163 PolarHBondContact O-N 3.26Å; E161-T163 VanDerWaalsContact O-N 3.11Å; T163-N186 PolarHBondContact O-ND2 2.88Å; T163-N186 VanDerWaalsContact O-ND2 3.13Å; T163-A250 HydrophobicContact CG2-CB 3.56Å
164S97Very high95Very high2 Ų248.4 Ų48.41%0.01428%0.282CS..  trans-63.2145177.172.50000110.7D138 E161 H184 N186D138-S164 CarbonylContact O-C 3.57Å; D138-S164 WeakPolarHBondContact O-CA 3.46Å; E161-S164 WeakPolarHBondContact O-CB 3.38Å; E161-S164 PolarHBondContact O-N 3.26Å; E161-S164 PolarHBondContact O-OG 3.35Å; S164-H184 PolarHBondContact O-NE2 3.48Å; S164-N186 WeakPolarHBondContact O-CB 3.42Å; S164-N186 PolarHBondContact O-ND2 2.8Å
165I98.6Very high94.9Very high3 Ų343.5 Ų43.52%0.01525%0.252CS..EExtended strand (participates in β ladder)trans-107.8120.4179.4-62.5160.2000108.7F44 L48 D138 V139 I140 N186 L188 A243 I247F44-I165 HydrophobicContact CE1-CG2 4.14Å; F44-I165 HydrophobicContact CZ-CD1 4Å; F44-I165 HydrophobicContact CZ-CG2 3.93Å; L48-I165 HydrophobicContact CD1-CD1 3.73Å; D138-I165 PolarHBondContact O-N 3.01Å; V139-I165 CarbonylContact C-O 3.28Å; V139-I165 WeakPolarHBondContact CA-O 3.47Å; V139-I165 HydrophobicContact CG2-CB 4.39Å; I140-I165 PolarHBondContact N-O 3.13Å; I165-N186 WeakPolarHBondContact CA-O 3.39Å; I165-N186 WeakPolarHBondContact CG1-ND2 3.21Å; I165-L188 HydrophobicContact CG2-CB 4.49Å; I165-A243 HydrophobicContact CD1-CB 4.14Å; I165-I247 HydrophobicContact CD1-CD1 3.91Å; I165-I247 HydrophobicContact CD1-CG1 4.36Å
166V98.8Very high94.9Very high0 Ų043.8 Ų43.80%026%0.26CS..EExtended strand (participates in β ladder)trans-92.3111.7173.11790000108.9I140 L142 L160 L182 N186 I187 L188I140-V166 CarbonylContact O-C 3.5Å; I140-V166 WeakPolarHBondContact O-CA 3.41Å; L142-V166 HydrophobicContact CD1-CG1 3.58Å; L142-V166 HydrophobicContact CD2-CG1 4.42Å; L142-V166 HydrophobicContact CG-CG1 3.76Å; L160-V166 HydrophobicContact CD1-CG2 4.15Å; L160-V166 HydrophobicContact CD2-CG2 3.68Å; V166-L182 HydrophobicContact CB-CD1 4.44Å; V166-L182 HydrophobicContact CG1-CD1 3.86Å; V166-N186 PolarHBondContact N-O 3.09Å; V166-I187 HydrophobicContact CB-CG1 4.28Å; V166-I187 CarbonylContact O-C 3.55Å; V166-I187 VanDerWaalsContact O-CA 3.25Å; V166-I187 WeakPolarHBondContact O-CA 3.33Å; V166-L188 PolarHBondContact O-N 3.45Å
167Y98.8Very high94.9Very high0 Ų049.4 Ų49.40%028%0.281CS..EExtended strand (participates in β ladder)trans-98109.8175.4-164-61.8000109.6F44 I140 F141 L142 F169 L188 P190 W236F44-Y167 HydrophobicContact CB-CE2 4.32Å; F44-Y167 AromaticContact CD1-CD2 3.74Å; F44-Y167 HydrophobicContact CD1-CD2 3.74Å; F44-Y167 HydrophobicContact CD1-CE2 4.04Å; F44-Y167 AromaticContact CE1-CD2 4Å; F44-Y167 HydrophobicContact CE1-CD2 4Å; F44-Y167 HydrophobicContact CG-CD2 4.34Å; F44-Y167 HydrophobicContact CG-CE2 4.2Å; I140-Y167 PolarHBondContact O-N 3.37Å; F141-Y167 CarbonylContact C-O 3.52Å; F141-Y167 VanDerWaalsContact CA-O 3.3Å; F141-Y167 WeakPolarHBondContact CA-O 3.19Å; F141-Y167 AromaticContact CD1-CD1 3.7Å; F141-Y167 HydrophobicContact CD1-CD1 3.7Å; F141-Y167 HydrophobicContact CD1-CD2 4.43Å; F141-Y167 AromaticContact CD1-CG 3.64Å; F141-Y167 HydrophobicContact CD1-CG 3.64Å; F141-Y167 AromaticContact CE1-CD1 3.72Å; F141-Y167 HydrophobicContact CE1-CD1 3.72Å; F141-Y167 AromaticContact CE1-CD2 3.74Å; F141-Y167 HydrophobicContact CE1-CD2 3.74Å; F141-Y167 HydrophobicContact CE1-CE1 4.32Å; F141-Y167 HydrophobicContact CE1-CE2 4.32Å; F141-Y167 AromaticContact CE1-CG 3.41Å; F141-Y167 HydrophobicContact CE1-CG 3.41Å; F141-Y167 VanDerWaalsContact CE1-CG 3.41Å; F141-Y167 HydrophobicContact CZ-CG 4.49Å; L142-Y167 PolarHBondContact N-O 3.18Å; Y167-F169 HydrophobicContact CD1-CD2 4.24Å; Y167-F169 HydrophobicContact CD1-CE1 4.26Å; Y167-F169 AromaticContact CD1-CE2 3.85Å; Y167-F169 HydrophobicContact CD1-CE2 3.85Å; Y167-F169 AromaticContact CD1-CZ 3.88Å; Y167-F169 HydrophobicContact CD1-CZ 3.88Å; Y167-F169 HydrophobicContact CE1-CD1 4.1Å; Y167-F169 HydrophobicContact CE1-CD2 4.39Å; Y167-F169 AromaticContact CE1-CE1 3.49Å; Y167-F169 HydrophobicContact CE1-CE1 3.49Å; Y167-F169 VanDerWaalsContact CE1-CE1 3.49Å; Y167-F169 AromaticContact CE1-CE2 3.83Å; Y167-F169 HydrophobicContact CE1-CE2 3.83Å; Y167-F169 AromaticContact CE1-CZ 3.36Å; Y167-F169 HydrophobicContact CE1-CZ 3.36Å; Y167-L188 CarbonylContact C-O 3.55Å; Y167-L188 VanDerWaalsContact CA-O 3.29Å; Y167-L188 WeakPolarHBondContact CA-O 3.42Å; Y167-L188 HydrophobicContact CD2-CB 4.23Å; Y167-L188 HydrophobicContact CD2-CD2 3.79Å; Y167-L188 HydrophobicContact CD2-CG 4.18Å; Y167-L188 HydrophobicContact CE2-CD2 3.67Å; Y167-L188 HydrophobicContact CE2-CG 4.15Å; Y167-P190 HydrophobicContact CE1-CG 3.59Å; Y167-P190 WeakPolarHBondContact OH-CG 3.25Å; Y167-W236 AromaticContact CE2-NE1 3.64Å; Y167-W236 AromaticContact CZ-NE1 3.58Å; Y167-W236 PolarHBondContact OH-NE1 3.42Å
168S98.2Very high95Very high0 Ų045.9 Ų45.90%026%0.264CS..EExtended strand (participates in β ladder)trans-104.5119.3-172.6179.60000113.4V170 L188 R189S168-V170 PolarHBondContact OG-N 3.1Å; S168-L188 PolarHBondContact N-O 3.21Å; S168-R189 WeakPolarHBondContact O-CG 3.47Å
169F97.3Very high95.1Very high30 Ų3044 Ų4413%0.13225%0.247CC..  trans-91.31.6169.6-69.8-68.6000113.7A37 A41 L87 L91 F141 L142 Y167 A171 P190A37-F169 HydrophobicContact CB-CD1 3.94Å; A37-F169 HydrophobicContact CB-CE1 3.46Å; A37-F169 VanDerWaalsContact CB-CE1 3.46Å; A37-F169 HydrophobicContact CB-CZ 4.08Å; A37-F169 WeakPolarHBondContact O-CZ 3.44Å; A41-F169 HydrophobicContact CB-CE2 4.34Å; A41-F169 HydrophobicContact CB-CZ 3.85Å; L87-F169 HydrophobicContact CD2-CB 3.54Å; L87-F169 HydrophobicContact CD2-CD1 4.3Å; L87-F169 HydrophobicContact CD2-CD2 3.9Å; L87-F169 HydrophobicContact CD2-CG 3.68Å; L91-F169 HydrophobicContact CD2-CE2 3.84Å; F141-F169 HydrophobicContact CD1-CD2 4.35Å; F141-F169 AromaticContact CD1-CE2 3.63Å; F141-F169 HydrophobicContact CD1-CE2 3.63Å; F141-F169 HydrophobicContact CD1-CZ 4.45Å; F141-F169 HydrophobicContact CE1-CE2 4.18Å; L142-F169 PolarHBondContact O-N 3.28Å; L142-F169 VanDerWaalsContact O-N 3.14Å; Y167-F169 HydrophobicContact CD1-CD2 4.24Å; Y167-F169 HydrophobicContact CD1-CE1 4.26Å; Y167-F169 AromaticContact CD1-CE2 3.85Å; Y167-F169 HydrophobicContact CD1-CE2 3.85Å; Y167-F169 AromaticContact CD1-CZ 3.88Å; Y167-F169 HydrophobicContact CD1-CZ 3.88Å; Y167-F169 HydrophobicContact CE1-CD1 4.1Å; Y167-F169 HydrophobicContact CE1-CD2 4.39Å; Y167-F169 AromaticContact CE1-CE1 3.49Å; Y167-F169 HydrophobicContact CE1-CE1 3.49Å; Y167-F169 VanDerWaalsContact CE1-CE1 3.49Å; Y167-F169 AromaticContact CE1-CE2 3.83Å; Y167-F169 HydrophobicContact CE1-CE2 3.83Å; Y167-F169 AromaticContact CE1-CZ 3.36Å; Y167-F169 HydrophobicContact CE1-CZ 3.36Å; F169-A171 PolarHBondContact O-N 3.14Å; F169-P190 HydrophobicContact CD1-CG 4.12Å; F169-P190 HydrophobicContact CE1-CG 3.97Å
170V93.9Very high95.1Very high3 Ų348.5 Ų48.52%0.01827%0.268CS..  trans-72.893.7-177.7-169.60000110.5L142 P146 L149 S168 A172 V173L142-V170 HydrophobicContact CB-CG2 4.22Å; P146-V170 HydrophobicContact CB-CG1 3.96Å; P146-V170 HydrophobicContact CG-CG1 3.85Å; L149-V170 HydrophobicContact CD1-CG2 4.31Å; L149-V170 HydrophobicContact CD2-CB 4.3Å; L149-V170 HydrophobicContact CD2-CG1 4.06Å; L149-V170 HydrophobicContact CD2-CG2 4.46Å; S168-V170 PolarHBondContact OG-N 3.1Å; V170-A172 PolarHBondContact O-N 3.43Å; V170-V173 HydrophobicContact CG1-CG2 4.04Å; V170-V173 PolarHBondContact O-N 2.85Å
171A79.9Confident95.1Very high79 Ų7948.9 Ų48.965%0.65327%0.27SS*.THydrogen-bonded Turntrans-63.9-31.8-169.500000114.8F169 V173 R189F169-A171 PolarHBondContact O-N 3.14Å; A171-V173 VanDerWaalsContact C-N 3.28Å; A171-V173 PolarHBondContact O-N 2.99Å; A171-R189 PolarHBondContact O-NH2 3.38Å
172A86.4Confident95.2Very high74 Ų7443.5 Ų43.561%0.61224%0.244SC*.THydrogen-bonded Turntrans-79.8-3.4-17400000114.5P146 V170P146-A172 HydrophobicContact CB-CB 3.95Å; P146-A172 HydrophobicContact CG-CB 3.9Å; V170-A172 PolarHBondContact O-N 3.43Å
173V93.3Very high95.3Very high20 Ų2043.7 Ų43.712%0.12125%0.252CS..SBendtrans-117.2112.4-172.3-1740000111.4L149 V170 A171 R177 L178 R189L149-V173 HydrophobicContact CD2-CB 3.86Å; L149-V173 HydrophobicContact CD2-CG1 3.89Å; L149-V173 HydrophobicContact CD2-CG2 3.73Å; V170-V173 HydrophobicContact CG1-CG2 4.04Å; V170-V173 PolarHBondContact O-N 2.85Å; A171-V173 VanDerWaalsContact C-N 3.28Å; A171-V173 PolarHBondContact O-N 2.99Å; V173-R177 HydrophobicContact CG1-CB 3.95Å; V173-R177 HydrophobicContact CG1-CG 3.7Å; V173-L178 HydrophobicContact CB-CG 4.49Å; V173-L178 HydrophobicContact CG1-CD2 4.31Å; V173-L178 HydrophobicContact CG1-CG 4.02Å; V173-R189 PolarHBondContact O-NH1 3.49Å
174P94.6Very high95.5Very high75 Ų7541 Ų4149%0.48724%0.235SC..  trans-65.8151.2-174.728.6-35.1000112.3R177 L178P174-R177 HydrophobicContact CG-CB 3.87Å; P174-R177 WeakPolarHBondContact O-CA 3.28Å; P174-R177 WeakPolarHBondContact O-CB 3.15Å; P174-R177 PolarHBondContact O-N 3.38Å; P174-L178 PolarHBondContact O-N 2.98Å
175L95.6Very high95.5Very high1 Ų142.7 Ų42.71%0.00525%0.245CC..Hα-helixtrans-51.9-44.2-178.2-88.3170.3000114.2R177 L178 K179 I187 R189 T310 Q313 L314L175-R177 VanDerWaalsContact C-N 3.25Å; L175-R177 PolarHBondContact O-N 3.03Å; L175-L178 HydrophobicContact CD2-CD1 4.47Å; L175-L178 WeakPolarHBondContact O-CB 3.49Å; L175-L178 PolarHBondContact O-N 3.33Å; L175-K179 PolarHBondContact O-N 3.39Å; L175-I187 HydrophobicContact CD2-CG2 4.01Å; L175-R189 HydrophobicContact CD1-CB 4.48Å; L175-R189 HydrophobicContact CD2-CB 3.69Å; L175-R189 HydrophobicContact CG-CB 4.07Å; L175-T310 HydrophobicContact CD2-CG2 4.42Å; L175-Q313 HydrophobicContact CD1-CB 3.55Å; L175-Q313 HydrophobicContact CD1-CG 4.29Å; L175-L314 HydrophobicContact CB-CD1 4.24Å; L175-L314 HydrophobicContact CB-CD2 4.37Å; L175-L314 HydrophobicContact CB-CG 4.44Å; L175-L314 HydrophobicContact CD1-CD2 4.36Å; L175-L314 HydrophobicContact CD1-CG 4.33Å
176P96.8Very high95.4Very high74 Ų7442.5 Ų42.548%0.48124%0.244SC..Hα-helixtrans-60.1-34.2175.6-26.135.9000113.5L180 L314P176-L180 PolarHBondContact O-N 3.01Å; P176-L180 VanDerWaalsContact O-N 3.15Å; P176-L314 HydrophobicContact CG-CD1 3.73Å
177R96.7Very high95.4Very high118 Ų11842.5 Ų42.545%0.44524%0.244SC..Hα-helixtrans-72.4-41.3176.6-178.458.3171.9162.9-0.9111.2V173 P174 L175 L180 L181V173-R177 HydrophobicContact CG1-CB 3.95Å; V173-R177 HydrophobicContact CG1-CG 3.7Å; P174-R177 HydrophobicContact CG-CB 3.87Å; P174-R177 WeakPolarHBondContact O-CA 3.28Å; P174-R177 WeakPolarHBondContact O-CB 3.15Å; P174-R177 PolarHBondContact O-N 3.38Å; L175-R177 VanDerWaalsContact C-N 3.25Å; L175-R177 PolarHBondContact O-N 3.03Å; R177-L180 PolarHBondContact O-N 3.33Å; R177-L181 HydrophobicContact CG-CD1 3.93Å; R177-L181 HydrophobicContact CG-CG 4.33Å; R177-L181 WeakPolarHBondContact O-CB 3.48Å; R177-L181 VanDerWaalsContact O-CG 3.28Å; R177-L181 WeakPolarHBondContact O-CG 3.41Å; R177-L181 PolarHBondContact O-N 2.87Å
178L96.9Very high95.4Very high0 Ų042.5 Ų42.50%024%0.244CC..Hα-helixtrans-58.6-47172.8-78.2166.5000111.4L149 V173 P174 L175 L180 L181 L182 I187L149-L178 HydrophobicContact CD1-CD2 4.46Å; L149-L178 HydrophobicContact CD2-CD2 3.64Å; V173-L178 HydrophobicContact CB-CG 4.49Å; V173-L178 HydrophobicContact CG1-CD2 4.31Å; V173-L178 HydrophobicContact CG1-CG 4.02Å; P174-L178 PolarHBondContact O-N 2.98Å; L175-L178 HydrophobicContact CD2-CD1 4.47Å; L175-L178 WeakPolarHBondContact O-CB 3.49Å; L175-L178 PolarHBondContact O-N 3.33Å; L178-L180 VanDerWaalsContact C-N 3.32Å; L178-L180 PolarHBondContact O-N 3.49Å; L178-L181 PolarHBondContact O-N 3.41Å; L178-L182 HydrophobicContact CD2-CD1 4.39Å; L178-L182 WeakPolarHBondContact O-CB 3.27Å; L178-L182 WeakPolarHBondContact O-CG 3.44Å; L178-L182 PolarHBondContact O-N 3.08Å; L178-I187 HydrophobicContact CB-CD1 4.24Å
179K97.4Very high95.3Very high74 Ų7443.9 Ų43.932%0.32225%0.249SC..Hα-helixtrans-53.1-49.1175.6-174-176179.2165.80111.9L175 N183 H184 I187 D308 T310L175-K179 PolarHBondContact O-N 3.39Å; K179-N183 VanDerWaalsContact O-CA 3.26Å; K179-N183 WeakPolarHBondContact O-CA 3.23Å; K179-N183 PolarHBondContact O-N 3.17Å; K179-H184 WeakPolarHBondContact CG-O 3.13Å; K179-H184 PolarHBondContact O-N 3.46Å; K179-I187 HydrophobicContact CB-CD1 4.5Å; K179-D308 IonicContact NZ-OD2 2.61Å; K179-D308 PolarHBondContact NZ-OD2 2.88Å; K179-T310 HydrophobicContact CB-CG2 4.13Å; K179-T310 HydrophobicContact CD-CG2 4.48Å; K179-T310 WeakPolarHBondContact CD-OG1 3.41Å; K179-T310 HydrophobicContact CG-CG2 4.35Å
180L97.3Very high95.3Very high125 Ų12542.9 Ų42.965%0.65425%0.245SC*.Hα-helixtrans-66.4-44.9-179.2179.864.1000112P176 R177 L178P176-L180 PolarHBondContact O-N 3.01Å; P176-L180 VanDerWaalsContact O-N 3.15Å; R177-L180 PolarHBondContact O-N 3.33Å; L178-L180 VanDerWaalsContact C-N 3.32Å; L178-L180 PolarHBondContact O-N 3.49Å
181L96.8Very high95.3Very high33 Ų3345.2 Ų45.217%0.17326%0.256CS..Hα-helixtrans-67.3-38.9-177.7-74.9174.6000112.8C153 R177 L178C153-L181 HydrophobicContact CB-CB 3.84Å; R177-L181 HydrophobicContact CG-CD1 3.93Å; R177-L181 HydrophobicContact CG-CG 4.33Å; R177-L181 WeakPolarHBondContact O-CB 3.48Å; R177-L181 VanDerWaalsContact O-CG 3.28Å; R177-L181 WeakPolarHBondContact O-CG 3.41Å; R177-L181 PolarHBondContact O-N 2.87Å; L178-L181 PolarHBondContact O-N 3.41Å
182L96.9Very high96Very high1 Ų143.4 Ų43.41%0.00523%0.233CC..Hα-helixtrans-89.7-12-178.6-65.7168.9000112.9L142 C153 I156 L160 V166 L178 H184 I187L142-L182 HydrophobicContact CD1-CD1 4.33Å; C153-L182 HydrophobicContact CB-CD2 4.1Å; C153-L182 VanDerWaalsContact SG-CD2 3.51Å; I156-L182 HydrophobicContact CD1-CD2 3.72Å; I156-L182 HydrophobicContact CG1-CD2 3.92Å; L160-L182 HydrophobicContact CD1-CB 4.18Å; L160-L182 HydrophobicContact CD1-CD2 4.04Å; V166-L182 HydrophobicContact CB-CD1 4.44Å; V166-L182 HydrophobicContact CG1-CD1 3.86Å; L178-L182 HydrophobicContact CD2-CD1 4.39Å; L178-L182 WeakPolarHBondContact O-CB 3.27Å; L178-L182 WeakPolarHBondContact O-CG 3.44Å; L178-L182 PolarHBondContact O-N 3.08Å; L182-H184 HydrophobicContact CB-CB 3.99Å; L182-H184 PolarHBondContact O-N 3.25Å; L182-I187 HydrophobicContact CB-CD1 4.39Å; L182-I187 HydrophobicContact CD1-CD1 3.81Å; L182-I187 HydrophobicContact CD1-CG1 4.32Å
183N96.4Very high96.3Very high136 Ų13644.6 Ų44.673%0.72723%0.226SC*.THydrogen-bonded Turntrans47.942.1-168.2-168.836.4000112.5K179K179-N183 VanDerWaalsContact O-CA 3.26Å; K179-N183 WeakPolarHBondContact O-CA 3.23Å; K179-N183 PolarHBondContact O-N 3.17Å
184H97.2Very high96Very high13 Ų1349 Ų496%0.0624%0.241CC..  trans-136144.2-171.1-164.340.9000111.9L160 E161 K162 S164 K179 L182 N186 I187L160-H184 HydrophobicContact CD1-CB 4.33Å; E161-H184 PolarHBondContact O-CE1 3.21Å; K162-H184 PolarHBondContact O-CE1 3.32Å; S164-H184 PolarHBondContact O-NE2 3.48Å; K179-H184 WeakPolarHBondContact CG-O 3.13Å; K179-H184 PolarHBondContact O-N 3.46Å; L182-H184 HydrophobicContact CB-CB 3.99Å; L182-H184 PolarHBondContact O-N 3.25Å; H184-N186 WeakPolarHBondContact NE2-CB 3.14Å; H184-I187 HydrophobicContact CB-CD1 4.33Å; H184-I187 HydrophobicContact CB-CG1 4.34Å; H184-I187 WeakPolarHBondContact O-CD1 3.31Å
185T97.3Very high95.4Very high37 Ų3746.5 Ų46.523%0.22723%0.228CC..SBendtrans-104.6-19.2-179.158.90000113.3I187 W306 D308 L309T185-I187 PolarHBondContact O-N 2.81Å; T185-W306 PolarHBondContact OG1-NE1 3.12Å; T185-D308 HydrophobicContact CG2-CB 4.43Å; T185-L309 WeakPolarHBondContact O-CB 3.33Å; T185-L309 PolarHBondContact O-N 3.26Å; T185-L309 VanDerWaalsContact O-N 3.08Å
186N97.9Very high94.2Very high0 Ų055.5 Ų55.50%027%0.27CS..  trans-89.157.6-175.5-149.628.9000110T163 S164 I165 V166 H184 N246 W306 L309T163-N186 PolarHBondContact O-ND2 2.88Å; T163-N186 VanDerWaalsContact O-ND2 3.13Å; S164-N186 WeakPolarHBondContact O-CB 3.42Å; S164-N186 PolarHBondContact O-ND2 2.8Å; I165-N186 WeakPolarHBondContact CA-O 3.39Å; I165-N186 WeakPolarHBondContact CG1-ND2 3.21Å; V166-N186 PolarHBondContact N-O 3.09Å; H184-N186 WeakPolarHBondContact NE2-CB 3.14Å; N186-N246 PolarHBondContact OD1-ND2 2.86Å; N186-N246 VanDerWaalsContact OD1-ND2 3.15Å; N186-W306 HydrophobicContact CB-CZ2 4.17Å; N186-L309 WeakPolarHBondContact OD1-CD1 3.39Å; N186-L309 WeakPolarHBondContact OD1-CG 3.26Å
187I98.4Very high92.6Very high0 Ų058 Ų580%028%0.28CS..EExtended strand (participates in β ladder)trans-112.4122.9-175.5-54.7170000108.8V166 L175 L178 K179 L182 H184 T185 T310 Q313V166-I187 HydrophobicContact CB-CG1 4.28Å; V166-I187 CarbonylContact O-C 3.55Å; V166-I187 VanDerWaalsContact O-CA 3.25Å; V166-I187 WeakPolarHBondContact O-CA 3.33Å; L175-I187 HydrophobicContact CD2-CG2 4.01Å; L178-I187 HydrophobicContact CB-CD1 4.24Å; K179-I187 HydrophobicContact CB-CD1 4.5Å; L182-I187 HydrophobicContact CB-CD1 4.39Å; L182-I187 HydrophobicContact CD1-CD1 3.81Å; L182-I187 HydrophobicContact CD1-CG1 4.32Å; H184-I187 HydrophobicContact CB-CD1 4.33Å; H184-I187 HydrophobicContact CB-CG1 4.34Å; H184-I187 WeakPolarHBondContact O-CD1 3.31Å; T185-I187 PolarHBondContact O-N 2.81Å; I187-T310 HydrophobicContact CB-CG2 3.99Å; I187-T310 HydrophobicContact CD1-CG2 4.18Å; I187-T310 HydrophobicContact CG1-CG2 4.39Å; I187-Q313 PolarHBondContact O-NE2 2.92Å
188L98.1Very high90.7Very high0 Ų056.5 Ų56.50%029%0.287CS..EExtended strand (participates in β ladder)trans-106.8132.8172.4-171.360.7000109.3F44 I165 V166 Y167 S168 V240F44-L188 HydrophobicContact CD2-CD2 3.98Å; F44-L188 HydrophobicContact CE1-CD2 4.41Å; F44-L188 HydrophobicContact CE2-CD2 3.75Å; F44-L188 HydrophobicContact CG-CD2 4.38Å; F44-L188 HydrophobicContact CZ-CD2 3.96Å; I165-L188 HydrophobicContact CG2-CB 4.49Å; V166-L188 PolarHBondContact O-N 3.45Å; Y167-L188 CarbonylContact C-O 3.55Å; Y167-L188 VanDerWaalsContact CA-O 3.29Å; Y167-L188 WeakPolarHBondContact CA-O 3.42Å; Y167-L188 HydrophobicContact CD2-CB 4.23Å; Y167-L188 HydrophobicContact CD2-CD2 3.79Å; Y167-L188 HydrophobicContact CD2-CG 4.18Å; Y167-L188 HydrophobicContact CE2-CD2 3.67Å; Y167-L188 HydrophobicContact CE2-CG 4.15Å; S168-L188 PolarHBondContact N-O 3.21Å; L188-V240 HydrophobicContact CD2-CG2 4.01Å
189R97.1Very high89.1Confident29 Ų2961.1 Ų61.111%0.10932%0.315CS..  trans-140106.5178.6176.2169.1174.4-128.9-19.9110S168 A171 V173 L175 Q313S168-R189 WeakPolarHBondContact O-CG 3.47Å; A171-R189 PolarHBondContact O-NH2 3.38Å; V173-R189 PolarHBondContact O-NH1 3.49Å; L175-R189 HydrophobicContact CD1-CB 4.48Å; L175-R189 HydrophobicContact CD2-CB 3.69Å; L175-R189 HydrophobicContact CG-CB 4.07Å; R189-Q313 PolarHBondContact O-OE1 2.87Å
190P96.1Very high87.9Confident8 Ų861.8 Ų61.85%0.05233%0.329CS..  trans-62.7142.9171.429.9-36.2000109.8Y167 F169 Y192 L232 W236Y167-P190 HydrophobicContact CE1-CG 3.59Å; Y167-P190 WeakPolarHBondContact OH-CG 3.25Å; F169-P190 HydrophobicContact CD1-CG 4.12Å; F169-P190 HydrophobicContact CE1-CG 3.97Å; P190-Y192 HydrophobicContact CB-CE2 3.78Å; P190-Y192 HydrophobicContact CG-CE2 3.94Å; P190-L232 HydrophobicContact CB-CD1 3.95Å; P190-W236 HydrophobicContact CB-CG 4.17Å
191Q94.9Very high87.3Confident52 Ų5257.8 Ų57.824%0.24331%0.308CS..  trans-124.1130.5174.1-66.9-174.911.600108.4K233Q191-K233 HydrophobicContact CB-CB 4.18Å; Q191-K233 HydrophobicContact CB-CD 3.88Å; Q191-K233 HydrophobicContact CB-CG 4.07Å; Q191-K233 PolarHBondContact O-N 2.98Å
192Y93.9Very high86.9Confident41 Ų4156.3 Ų56.316%0.16130%0.3CS..EExtended strand (participates in β ladder)trans-112.6137.9-178.2-55.2-85.4000109.2L33 E36 A37 H40 P190 I230 I231 L232L33-Y192 HydrophobicContact CD1-CD1 4.14Å; L33-Y192 HydrophobicContact CD1-CD2 3.42Å; L33-Y192 VanDerWaalsContact CD1-CD2 3.42Å; L33-Y192 HydrophobicContact CD1-CE2 3.93Å; L33-Y192 HydrophobicContact CD1-CG 3.53Å; E36-Y192 HydrophobicContact CB-CD1 4.42Å; E36-Y192 HydrophobicContact CB-CE1 3.73Å; E36-Y192 HydrophobicContact CG-CE1 4.45Å; E36-Y192 VanDerWaalsContact OE2-CD1 3.31Å; E36-Y192 WeakPolarHBondContact OE2-CD1 3.32Å; E36-Y192 WeakPolarHBondContact OE2-CE1 3.41Å; A37-Y192 WeakPolarHBondContact CA-OH 3.44Å; H40-Y192 AromaticContact CE1-CE1 3.61Å; H40-Y192 AromaticContact ND1-CE1 3.51Å; H40-Y192 AromaticContact ND1-CZ 3.7Å; H40-Y192 PolarHBondContact ND1-OH 3.36Å; H40-Y192 VanDerWaalsContact ND1-OH 3.08Å; P190-Y192 HydrophobicContact CB-CE2 3.78Å; P190-Y192 HydrophobicContact CG-CE2 3.94Å; Y192-I230 HydrophobicContact CD1-CG2 3.84Å; Y192-I230 HydrophobicContact CG-CG2 4.3Å; Y192-I231 CarbonylContact C-O 3.58Å; Y192-I231 WeakPolarHBondContact CA-O 3.17Å; Y192-L232 HydrophobicContact CD1-CD1 4.06Å; Y192-L232 HydrophobicContact CE1-CD1 3.74Å
193Q91.8Very high85.9Confident100 Ų10057.5 Ų57.547%0.46731%0.313SS..EExtended strand (participates in β ladder)trans-111.2157.8169.6-68.7178.9-4400108.8I230 I231 K233Q193-I230 WeakPolarHBondContact O-CA 3.37Å; Q193-I231 HydrophobicContact CB-CB 4.38Å; Q193-I231 PolarHBondContact N-O 3.19Å; Q193-I231 PolarHBondContact O-N 3.38Å; Q193-K233 HydrophobicContact CG-CG 4.26Å; Q193-K233 VanDerWaalsContact NE2-CE 3.28Å
194Y88.7Confident84.9Confident113 Ų11354.5 Ų54.544%0.44331%0.307SS..EExtended strand (participates in β ladder)trans-113.5127-179.1-59.6-78.3000109.4G229 I230Y194-G229 WeakPolarHBondContact CA-O 3.47Å; Y194-I230 HydrophobicContact CD1-CG1 4.19Å; Y194-I230 HydrophobicContact CE1-CG1 4.18Å
195G82Confident83.6Confident21 Ų2159.6 Ų59.622%0.21633%0.334CS..  trans-75.4163.8170.500000111.4R29 D197 G229R29-G195 PolarHBondContact NH2-O 3.36Å; G195-D197 VanDerWaalsContact C-N 3.34Å; G195-G229 PolarHBondContact N-O 3.31Å
196E70Confident82.6Confident190 Ų19062.6 Ų62.689%0.88834%0.344SS*.SBendtrans-71.7-31.2177.2-65.1-174.8169.200111.6
197D61.9Low82.3Confident128 Ų12870.4 Ų70.468%0.68438%0.378SS*.  trans-71.3130.6-176.6-67.4-33.8000113.6G195G195-D197 VanDerWaalsContact C-N 3.34Å
198S58Low82.1Confident85 Ų8570.9 Ų70.959%0.59438%0.381SS*.  trans-100.130.2-173.267.10000113.7S200S198-S200 PolarHBondContact O-N 2.93Å; S198-S200 VanDerWaalsContact O-N 3.09Å
199V63.4Low81.9Confident97 Ų9772.9 Ų72.959%0.58839%0.391SS*.  trans-69.8111.4-177.8-170.70000109.6I201V199-I201 VanDerWaalsContact C-N 3.27Å; V199-I201 HydrophobicContact CB-CG2 4.4Å; V199-I201 HydrophobicContact CG1-CG2 3.71Å; V199-I201 PolarHBondContact O-N 2.85Å
200S70.6Confident81.7Confident88 Ų8873.4 Ų73.462%0.61540%0.402SS*.  trans-77.872.9-178.9179.90000111.8S198 W202S198-S200 PolarHBondContact O-N 2.93Å; S198-S200 VanDerWaalsContact O-N 3.09Å; S200-W202 VanDerWaalsContact C-N 3.34Å
201I85.3Confident81.6Confident41 Ų4173 Ų7321%0.2140%0.4CS..  trans-80.8-16.217566.3171.3000113.1V199 G203 I217 A220 A227 G228V199-I201 VanDerWaalsContact C-N 3.27Å; V199-I201 HydrophobicContact CB-CG2 4.4Å; V199-I201 HydrophobicContact CG1-CG2 3.71Å; V199-I201 PolarHBondContact O-N 2.85Å; I201-G203 PolarHBondContact O-N 3.27Å; I201-I217 WeakPolarHBondContact O-CG1 3.46Å; I201-A220 HydrophobicContact CD1-CB 3.16Å; I201-A220 HydrophobicContact CG1-CB 4.45Å; I201-A227 HydrophobicContact CD1-CB 4.19Å; I201-G228 VanDerWaalsContact CD1-N 3.33Å
202W88.1Confident81.6Confident2 Ų270.7 Ų70.71%0.00839%0.389CS..SBendtrans-72.70.7-170.6-56.6113.4000114.4R31 I35 E36 S200 I217 A220 T221 G228 I230R31-W202 PolarHBondContact NE-O 2.99Å; I35-W202 HydrophobicContact CB-CE3 4.41Å; I35-W202 HydrophobicContact CD1-CB 4.32Å; I35-W202 HydrophobicContact CD1-CE3 4.17Å; I35-W202 HydrophobicContact CG2-CE3 4.36Å; I35-W202 HydrophobicContact CG2-CZ3 4.28Å; E36-W202 HydrophobicContact CG-CH2 3.93Å; E36-W202 HydrophobicContact CG-CZ2 4.46Å; E36-W202 HydrophobicContact CG-CZ3 4.42Å; E36-W202 WeakPolarHBondContact OE1-CH2 3.15Å; S200-W202 VanDerWaalsContact C-N 3.34Å; W202-I217 HydrophobicContact CE3-CG2 3.99Å; W202-I217 HydrophobicContact CZ3-CG2 4.1Å; W202-A220 HydrophobicContact CH2-CB 3.66Å; W202-A220 HydrophobicContact CZ2-CB 4.29Å; W202-A220 HydrophobicContact CZ3-CB 4.03Å; W202-T221 HydrophobicContact CH2-CG2 4.14Å; W202-T221 HydrophobicContact CZ3-CG2 3.77Å; W202-G228 PolarHBondContact NE1-O 2.83Å; W202-I230 HydrophobicContact CZ2-CB 4.24Å; W202-I230 HydrophobicContact CZ2-CD1 4.12Å; W202-I230 HydrophobicContact CZ2-CG1 4.28Å
203G77.6Confident81.5Confident27 Ų2774.7 Ų74.728%0.27841%0.409SS..  trans64.3162.8-18000000113.7R31 I201R31-G203 WeakPolarHBondContact CD-O 3.1Å; R31-G203 PolarHBondContact NE-O 3.17Å; I201-G203 PolarHBondContact O-N 3.27Å
204A75.3Confident81.6Confident72 Ų7272 Ų7260%0.59540%0.398SS*.SBendtrans-100.2145.8168.800000110.2K206A204-K206 PolarHBondContact O-N 3.41Å
205N68.1Low81.7Confident120 Ų12069.7 Ų69.764%0.64240%0.397SS*.SBendtrans57.7-1.3163.4-56.1-24.2000119.6D2D2-N205 VanDerWaalsContact OD2-CB 3.29Å; D2-N205 WeakPolarHBondContact OD2-CB 3.5Å; D2-N205 PolarHBondContact OD2-ND2 3.03Å
206K77.9Confident82.2Confident100 Ų10072.2 Ų72.244%0.43541%0.408SS..  trans-71.4148.9171-62-178.5-178.1177.50111R31 A204 A210 D214R31-K206 VanDerWaalsContact CZ-O 3.25Å; R31-K206 PolarHBondContact NH1-O 2.97Å; R31-K206 PolarHBondContact NH2-O 3.43Å; A204-K206 PolarHBondContact O-N 3.41Å; K206-A210 HydrophobicContact CB-CB 4.46Å; K206-D214 IonicContact NZ-OD2 3.93Å
207K89.9Confident83.3Confident164 Ų16463.4 Ų63.471%0.71337%0.367SS*.  trans-66.3152.8167.4-66.7179.7-179.9176.60110I209 A210 A211K207-I209 VanDerWaalsContact C-N 3.3Å; K207-I209 PolarHBondContact O-N 3.29Å; K207-A210 PolarHBondContact O-N 3.41Å; K207-A210 VanDerWaalsContact O-N 3.09Å; K207-A211 PolarHBondContact O-N 2.06Å
208V94.4Very high84.9Confident11 Ų1157.3 Ų57.37%0.06733%0.334CS..Hα-helixtrans-54.9-44.5-179.4173.70000111.8M34 I35 C38 Q90 A210 A211 L212M34-V208 HydrophobicContact CG-CG2 3.98Å; I35-V208 HydrophobicContact CG1-CG2 4.46Å; C38-V208 HydrophobicContact CB-CG1 3.68Å; Q90-V208 HydrophobicContact CB-CG2 4.21Å; Q90-V208 HydrophobicContact CG-CG2 4.17Å; V208-A210 VanDerWaalsContact C-N 3.34Å; V208-A210 PolarHBondContact O-N 2.89Å; V208-A211 CarbonylContact O-C 3.6Å; V208-A211 WeakPolarHBondContact O-CA 3.28Å; V208-A211 WeakPolarHBondContact O-CB 3.28Å; V208-A211 PolarHBondContact O-N 3.23Å; V208-L212 HydrophobicContact CG1-CD1 4.08Å; V208-L212 HydrophobicContact CG1-CG 4.32Å; V208-L212 WeakPolarHBondContact O-CG 3.42Å; V208-L212 PolarHBondContact O-N 3.12Å
209I93.8Very high86.5Confident41 Ų4156 Ų5621%0.2132%0.319CS..Hα-helixtrans-57.7-45.2177.9-63.9155.4000111.9T94 Q97 L98 K207 A211 L212 Q213T94-I209 HydrophobicContact CG2-CG1 4.45Å; Q97-I209 HydrophobicContact CB-CD1 3.98Å; Q97-I209 HydrophobicContact CB-CG1 4.47Å; Q97-I209 HydrophobicContact CG-CD1 3.79Å; L98-I209 HydrophobicContact CD2-CG2 4.36Å; K207-I209 VanDerWaalsContact C-N 3.3Å; K207-I209 PolarHBondContact O-N 3.29Å; I209-A211 VanDerWaalsContact C-N 3.25Å; I209-A211 PolarHBondContact O-N 3.49Å; I209-L212 PolarHBondContact O-N 2.99Å; I209-Q213 WeakPolarHBondContact O-CG 3.1Å; I209-Q213 PolarHBondContact O-N 3.1Å
210A93.4Very high87.9Confident41 Ų4151.5 Ų51.534%0.33929%0.292SS..Hα-helixtrans-67-29.7178.100000112K206 K207 V208K206-A210 HydrophobicContact CB-CB 4.46Å; K207-A210 PolarHBondContact O-N 3.41Å; K207-A210 VanDerWaalsContact O-N 3.09Å; V208-A210 VanDerWaalsContact C-N 3.34Å; V208-A210 PolarHBondContact O-N 2.89Å
211A94Very high89.1Confident0 Ų047.3 Ų47.30%026%0.262CS..Hα-helixtrans-70.1-38.1172.900000111.5I35 K207 V208 I209 Q213 D214 I217I35-A211 HydrophobicContact CD1-CB 3.8Å; I35-A211 HydrophobicContact CG1-CB 4.23Å; K207-A211 PolarHBondContact O-N 2.06Å; V208-A211 CarbonylContact O-C 3.6Å; V208-A211 WeakPolarHBondContact O-CA 3.28Å; V208-A211 WeakPolarHBondContact O-CB 3.28Å; V208-A211 PolarHBondContact O-N 3.23Å; I209-A211 VanDerWaalsContact C-N 3.25Å; I209-A211 PolarHBondContact O-N 3.49Å; A211-Q213 PolarHBondContact O-N 3.01Å; A211-D214 WeakPolarHBondContact O-CB 3.43Å; A211-D214 PolarHBondContact O-N 2.66Å; A211-D214 VanDerWaalsContact O-N 3.16Å; A211-I217 HydrophobicContact CB-CD1 4Å; A211-I217 HydrophobicContact CB-CG2 4.16Å; A211-I217 WeakPolarHBondContact O-CB 3.34Å; A211-I217 WeakPolarHBondContact O-CG2 3.42Å
212L94.9Very high89.6Confident2 Ų245.6 Ų45.61%0.0125%0.254CS..Hα-helixtrans-74.2-11.1177.3-63.3178.4000114.3I35 A39 T94 L98 V208 I209 L218 T221 F341I35-L212 HydrophobicContact CG2-CD2 3.6Å; I35-L212 HydrophobicContact CG2-CG 4.4Å; A39-L212 HydrophobicContact CB-CD1 4.36Å; A39-L212 HydrophobicContact CB-CD2 3.55Å; T94-L212 HydrophobicContact CG2-CD1 3.7Å; L98-L212 HydrophobicContact CD1-CB 4.34Å; L98-L212 HydrophobicContact CD1-CD1 3.93Å; V208-L212 HydrophobicContact CG1-CD1 4.08Å; V208-L212 HydrophobicContact CG1-CG 4.32Å; V208-L212 WeakPolarHBondContact O-CG 3.42Å; V208-L212 PolarHBondContact O-N 3.12Å; I209-L212 PolarHBondContact O-N 2.99Å; L212-L218 HydrophobicContact CD2-CD1 4.22Å; L212-T221 HydrophobicContact CD2-CG2 4.47Å; L212-F341 HydrophobicContact CB-CD1 4.47Å; L212-F341 HydrophobicContact CD1-CE1 4.19Å
213Q92.5Very high89.7Confident125 Ų12545.8 Ų45.858%0.58426%0.256SS*.THydrogen-bonded Turntrans-89.6-10.9170.9-70.8174.1-22.400112.7I209 A211 P215I209-Q213 WeakPolarHBondContact O-CG 3.1Å; I209-Q213 PolarHBondContact O-N 3.1Å; A211-Q213 PolarHBondContact O-N 3.01Å; Q213-P215 WeakPolarHBondContact O-CD 3.2Å
214D92.8Very high90.3Very high44 Ų4447.6 Ų47.624%0.23526%0.255CS..SBendtrans-82.9118.3176.3-175.3-59.4000108.8K206 A211 T216 I217 L218K206-D214 IonicContact NZ-OD2 3.93Å; A211-D214 WeakPolarHBondContact O-CB 3.43Å; A211-D214 PolarHBondContact O-N 2.66Å; A211-D214 VanDerWaalsContact O-N 3.16Å; D214-T216 VanDerWaalsContact C-N 3.28Å; D214-T216 PolarHBondContact O-N 2.95Å; D214-T216 WeakPolarHBondContact OD1-CB 3.26Å; D214-T216 PolarHBondContact OD1-N 3.17Å; D214-T216 VanDerWaalsContact OD1-N 3.09Å; D214-I217 HydrophobicContact CB-CB 4.09Å; D214-I217 HydrophobicContact CB-CD1 4.01Å; D214-I217 HydrophobicContact CB-CG1 4.09Å; D214-I217 PolarHBondContact O-N 2.79Å; D214-I217 PolarHBondContact OD1-N 3.18Å; D214-L218 WeakPolarHBondContact O-CB 3.33Å; D214-L218 PolarHBondContact O-N 2.67Å
215P92.4Very high91Very high64 Ų6445.2 Ų45.242%0.41623%0.233SC..Hα-helixtrans-57.2-38.6-175.5-26.634.4000113.8Q213 Q219 I343Q213-P215 WeakPolarHBondContact O-CD 3.2Å; P215-Q219 VanDerWaalsContact O-CB 3.23Å; P215-Q219 WeakPolarHBondContact O-CB 3.42Å; P215-Q219 PolarHBondContact O-N 3.04Å; P215-I343 HydrophobicContact CB-CD1 4.29Å; P215-I343 HydrophobicContact CB-CG2 4Å; P215-I343 HydrophobicContact CG-CD1 4.15Å; P215-I343 HydrophobicContact CG-CG2 4.29Å
216T91.9Very high92Very high75 Ų7543.3 Ų43.346%0.4623%0.227SC..Hα-helixtrans-69.4-43.4-178.8-59.80000111D214 A220D214-T216 VanDerWaalsContact C-N 3.28Å; D214-T216 PolarHBondContact O-N 2.95Å; D214-T216 WeakPolarHBondContact OD1-CB 3.26Å; D214-T216 PolarHBondContact OD1-N 3.17Å; D214-T216 VanDerWaalsContact OD1-N 3.09Å; T216-A220 PolarHBondContact O-N 2.87Å
217I93.6Very high92.5Very high4 Ų440.6 Ų40.62%0.02122%0.224CC..Hα-helixtrans-67-44.3176.5-63.2178.4000110.6I35 I201 W202 A211 D214 Q219 A220 T221I35-I217 HydrophobicContact CD1-CG2 4.42Å; I35-I217 HydrophobicContact CG2-CG2 3.88Å; I201-I217 WeakPolarHBondContact O-CG1 3.46Å; W202-I217 HydrophobicContact CE3-CG2 3.99Å; W202-I217 HydrophobicContact CZ3-CG2 4.1Å; A211-I217 HydrophobicContact CB-CD1 4Å; A211-I217 HydrophobicContact CB-CG2 4.16Å; A211-I217 WeakPolarHBondContact O-CB 3.34Å; A211-I217 WeakPolarHBondContact O-CG2 3.42Å; D214-I217 HydrophobicContact CB-CB 4.09Å; D214-I217 HydrophobicContact CB-CD1 4.01Å; D214-I217 HydrophobicContact CB-CG1 4.09Å; D214-I217 PolarHBondContact O-N 2.79Å; D214-I217 PolarHBondContact OD1-N 3.18Å; I217-Q219 PolarHBondContact O-N 3.13Å; I217-A220 WeakPolarHBondContact O-CB 3.48Å; I217-A220 PolarHBondContact O-N 2.86Å; I217-T221 PolarHBondContact O-N 2.83Å
218L94.6Very high92.2Very high0 Ų033.3 Ų33.30%020%0.195CC..Hα-helixtrans-62.4-44.8-179.9-176.171.7000111.3L212 D214 A220 T221 C222 Y337 C338 F341 I343L212-L218 HydrophobicContact CD2-CD1 4.22Å; D214-L218 WeakPolarHBondContact O-CB 3.33Å; D214-L218 PolarHBondContact O-N 2.67Å; L218-A220 PolarHBondContact O-N 3.23Å; L218-T221 WeakPolarHBondContact O-CA 3.37Å; L218-T221 PolarHBondContact O-N 2.83Å; L218-T221 PolarHBondContact O-OG1 2.8Å; L218-C222 PolarHBondContact O-N 3.49Å; L218-Y337 HydrophobicContact CD1-CE1 4.01Å; L218-Y337 HydrophobicContact CG-CE1 4.37Å; L218-C338 HydrophobicContact CD2-CB 4.46Å; L218-F341 HydrophobicContact CD1-CB 4.15Å; L218-F341 HydrophobicContact CD1-CD1 4.03Å; L218-F341 HydrophobicContact CD1-CD2 3.61Å; L218-F341 HydrophobicContact CD1-CE1 4.35Å; L218-F341 HydrophobicContact CD1-CE2 3.97Å; L218-F341 HydrophobicContact CD1-CG 3.67Å; L218-F341 HydrophobicContact CD1-CZ 4.33Å; L218-F341 HydrophobicContact CD2-CB 3.52Å; L218-F341 HydrophobicContact CD2-CD2 4.03Å; L218-F341 HydrophobicContact CD2-CG 3.94Å; L218-F341 HydrophobicContact CG-CD2 4.4Å; L218-F341 HydrophobicContact CG-CG 4.48Å; L218-I343 HydrophobicContact CB-CD1 4Å; L218-I343 HydrophobicContact CD2-CB 3.92Å; L218-I343 HydrophobicContact CD2-CD1 3.48Å; L218-I343 VanDerWaalsContact CD2-CD1 3.48Å; L218-I343 HydrophobicContact CD2-CG1 3.76Å; L218-I343 HydrophobicContact CG-CD1 4.37Å
219Q92.8Very high91.9Very high59 Ų5933 Ų3328%0.27620%0.195SC..Hα-helixtrans-60.5-31.7177.7-171.9-179.41600112P215 I217 T221 C222 S225 L345P215-Q219 VanDerWaalsContact O-CB 3.23Å; P215-Q219 WeakPolarHBondContact O-CB 3.42Å; P215-Q219 PolarHBondContact O-N 3.04Å; I217-Q219 PolarHBondContact O-N 3.13Å; Q219-T221 VanDerWaalsContact C-N 3.3Å; Q219-T221 PolarHBondContact O-N 3.35Å; Q219-C222 VanDerWaalsContact O-CB 3.31Å; Q219-C222 WeakPolarHBondContact O-CB 3.5Å; Q219-C222 PolarHBondContact O-N 2.9Å; Q219-S225 VanDerWaalsContact O-CB 3.26Å; Q219-S225 WeakPolarHBondContact O-CB 3.43Å; Q219-S225 PolarHBondContact O-OG 3.48Å; Q219-L345 HydrophobicContact CG-CD2 4.39Å
220A93.1Very high91.8Very high1 Ų131.1 Ų31.11%0.00819%0.185CC..Hα-helixtrans-68-29.6173.300000113.7I201 W202 T216 I217 L218 C222 A227I201-A220 HydrophobicContact CD1-CB 3.16Å; I201-A220 HydrophobicContact CG1-CB 4.45Å; W202-A220 HydrophobicContact CH2-CB 3.66Å; W202-A220 HydrophobicContact CZ2-CB 4.29Å; W202-A220 HydrophobicContact CZ3-CB 4.03Å; T216-A220 PolarHBondContact O-N 2.87Å; I217-A220 WeakPolarHBondContact O-CB 3.48Å; I217-A220 PolarHBondContact O-N 2.86Å; L218-A220 PolarHBondContact O-N 3.23Å; A220-C222 PolarHBondContact O-N 2.87Å; A220-A227 HydrophobicContact CB-CB 3.85Å
221T95.3Very high91.8Very high0 Ų032 Ų320%018%0.183CC..THydrogen-bonded Turntrans-78.71.8172.771.50000113.9I35 E36 A39 H40 W202 L212 I217 L218 Q219 Y337I35-T221 HydrophobicContact CG2-CG2 3.92Å; E36-T221 HydrophobicContact CG-CG2 4.26Å; A39-T221 HydrophobicContact CB-CG2 4.06Å; H40-T221 PolarHBondContact NE2-O 3.11Å; W202-T221 HydrophobicContact CH2-CG2 4.14Å; W202-T221 HydrophobicContact CZ3-CG2 3.77Å; L212-T221 HydrophobicContact CD2-CG2 4.47Å; I217-T221 PolarHBondContact O-N 2.83Å; L218-T221 WeakPolarHBondContact O-CA 3.37Å; L218-T221 PolarHBondContact O-N 2.83Å; L218-T221 PolarHBondContact O-OG1 2.8Å; Q219-T221 VanDerWaalsContact C-N 3.3Å; Q219-T221 PolarHBondContact O-N 3.35Å; T221-Y337 WeakPolarHBondContact CB-OH 3.45Å; T221-Y337 PolarHBondContact O-OH 2.8Å; T221-Y337 WeakPolarHBondContact OG1-CE1 3.43Å; T221-Y337 PolarHBondContact OG1-OH 2.77Å
222C94.9Very high91.8Very high5 Ų532.3 Ų32.33%0.03419%0.185CC..SBendtrans-65.2141.7179.4-74.10000110.7L218 Q219 A220 Y224 S225 T334 Y337L218-C222 PolarHBondContact O-N 3.49Å; Q219-C222 VanDerWaalsContact O-CB 3.31Å; Q219-C222 WeakPolarHBondContact O-CB 3.5Å; Q219-C222 PolarHBondContact O-N 2.9Å; A220-C222 PolarHBondContact O-N 2.87Å; C222-Y224 PolarHBondContact O-N 3.16Å; C222-S225 WeakPolarHBondContact O-CB 3.3Å; C222-S225 PolarHBondContact O-N 3.04Å; C222-T334 HydrophobicContact CB-CG2 4.22Å; C222-Y337 HydrophobicContact CB-CD1 4.45Å; C222-Y337 VanDerWaalsContact SG-CD1 3.52Å
223P90.7Very high91.8Very high7 Ų735.8 Ų35.85%0.04520%0.2CC..THydrogen-bonded Turntrans-54.8-21.6-174.4-30.936.6000117.2L232 I234 W236 L237 Y337P223-L232 HydrophobicContact CB-CD2 4.05Å; P223-L232 HydrophobicContact CG-CD2 4.41Å; P223-I234 HydrophobicContact CB-CD1 3.93Å; P223-W236 HydrophobicContact CG-CZ3 4.09Å; P223-L237 HydrophobicContact CB-CD2 4.19Å; P223-L237 HydrophobicContact CG-CD2 4.5Å; P223-Y337 HydrophobicContact CG-CD2 4.4Å
224Y90.3Very high91.9Very high65 Ų6532.1 Ų32.126%0.25518%0.184SC..THydrogen-bonded Turntrans-107.8-1179.6-62.4-79.2000113.5C222 I234 L237 Q330C222-Y224 PolarHBondContact O-N 3.16Å; Y224-I234 HydrophobicContact CD1-CD1 3.84Å; Y224-I234 HydrophobicContact CD1-CG1 4.34Å; Y224-I234 HydrophobicContact CD2-CD1 4.37Å; Y224-I234 HydrophobicContact CE1-CD1 3.31Å; Y224-I234 HydrophobicContact CE1-CG1 3.57Å; Y224-I234 HydrophobicContact CE2-CD1 3.9Å; Y224-I234 HydrophobicContact CG-CD1 4.34Å; Y224-L237 HydrophobicContact CE2-CD2 3.83Å; Y224-Q330 HydrophobicContact CD1-CG 4.39Å; Y224-Q330 HydrophobicContact CD2-CB 4.14Å; Y224-Q330 HydrophobicContact CE1-CB 4.29Å; Y224-Q330 HydrophobicContact CE1-CG 3.75Å; Y224-Q330 HydrophobicContact CE2-CB 3.83Å; Y224-Q330 HydrophobicContact CE2-CG 4.04Å
225S90.3Very high92Very high22 Ų2231.7 Ų31.715%0.15418%0.18CC..  trans-82129.5-175.7-168.20000110.6Q219 C222 A227Q219-S225 VanDerWaalsContact O-CB 3.26Å; Q219-S225 WeakPolarHBondContact O-CB 3.43Å; Q219-S225 PolarHBondContact O-OG 3.48Å; C222-S225 WeakPolarHBondContact O-CB 3.3Å; C222-S225 PolarHBondContact O-N 3.04Å; S225-A227 VanDerWaalsContact C-N 3.29Å; S225-A227 WeakPolarHBondContact OG-CB 3.41Å; S225-A227 PolarHBondContact OG-N 2.87Å
226P88.4Confident92.2Very high79 Ų7928.8 Ų28.851%0.51316%0.161SC..  trans-87.4-1.2168.135.3-34.3000112.6G229 I231P226-G229 PolarHBondContact O-N 2.92Å; P226-I231 HydrophobicContact CB-CD1 4.44Å; P226-I231 HydrophobicContact CB-CG1 4.44Å
227A88.3Confident92.4Very high43 Ų4325.3 Ų25.336%0.35514%0.139SC..G310 helixtrans-63.7141.5-171.400000111.8I201 A220 S225 G229I201-A227 HydrophobicContact CD1-CB 4.19Å; A220-A227 HydrophobicContact CB-CB 3.85Å; S225-A227 VanDerWaalsContact C-N 3.29Å; S225-A227 WeakPolarHBondContact OG-CB 3.41Å; S225-A227 PolarHBondContact OG-N 2.87Å; A227-G229 VanDerWaalsContact C-N 3.26Å; A227-G229 PolarHBondContact O-N 3.39Å
228G84.8Confident92.6Very high11 Ų1125.3 Ų25.311%0.11314%0.139CC..G310 helixtrans778.1-179.800000115.2I201 W202 I230I201-G228 VanDerWaalsContact CD1-N 3.33Å; W202-G228 PolarHBondContact NE1-O 2.83Å; G228-I230 PolarHBondContact O-N 2.94Å
229G88.2Confident92.7Very high6 Ų625.3 Ų25.36%0.06214%0.139CC..G310 helixtrans71.815.4170.200000114.2Y194 G195 P226 A227Y194-G229 WeakPolarHBondContact CA-O 3.47Å; G195-G229 PolarHBondContact N-O 3.31Å; P226-G229 PolarHBondContact O-N 2.92Å; A227-G229 VanDerWaalsContact C-N 3.26Å; A227-G229 PolarHBondContact O-N 3.39Å
230I91.3Very high93Very high0 Ų022.6 Ų22.60%013%0.126CC..EExtended strand (participates in β ladder)trans-119.2122.9171-55.8179.1000106.6R29 L33 E36 Y192 Q193 Y194 W202 G228R29-I230 WeakPolarHBondContact O-CD1 3.47Å; L33-I230 HydrophobicContact CB-CD1 4.31Å; E36-I230 HydrophobicContact CG-CB 4.49Å; E36-I230 HydrophobicContact CG-CG2 4.09Å; Y192-I230 HydrophobicContact CD1-CG2 3.84Å; Y192-I230 HydrophobicContact CG-CG2 4.3Å; Q193-I230 WeakPolarHBondContact O-CA 3.37Å; Y194-I230 HydrophobicContact CD1-CG1 4.19Å; Y194-I230 HydrophobicContact CE1-CG1 4.18Å; W202-I230 HydrophobicContact CZ2-CB 4.24Å; W202-I230 HydrophobicContact CZ2-CD1 4.12Å; W202-I230 HydrophobicContact CZ2-CG1 4.28Å; G228-I230 PolarHBondContact O-N 2.94Å
231I92.1Very high93.2Very high59 Ų5922.5 Ų22.530%0.30313%0.126SC..EExtended strand (participates in β ladder)trans-118.5116.5-174.4-53.8176.3000108Y192 Q193 P226Y192-I231 CarbonylContact C-O 3.58Å; Y192-I231 WeakPolarHBondContact CA-O 3.17Å; Q193-I231 HydrophobicContact CB-CB 4.38Å; Q193-I231 PolarHBondContact N-O 3.19Å; Q193-I231 PolarHBondContact O-N 3.38Å; P226-I231 HydrophobicContact CB-CD1 4.44Å; P226-I231 HydrophobicContact CB-CG1 4.44Å
232L94.8Very high93.4Very high8 Ų822.7 Ų22.74%0.04213%0.127CC..EExtended strand (participates in β ladder)trans-71.9130.6172.5-177.766.6000110.3H40 P190 Y192 P223 I234 W236H40-L232 VanDerWaalsContact CE1-CD2 3.42Å; H40-L232 WeakPolarHBondContact CE1-CD2 3.36Å; P190-L232 HydrophobicContact CB-CD1 3.95Å; Y192-L232 HydrophobicContact CD1-CD1 4.06Å; Y192-L232 HydrophobicContact CE1-CD1 3.74Å; P223-L232 HydrophobicContact CB-CD2 4.05Å; P223-L232 HydrophobicContact CG-CD2 4.41Å; L232-I234 PolarHBondContact O-N 3.24Å; L232-W236 HydrophobicContact CD1-CB 4.11Å; L232-W236 HydrophobicContact CD1-CG 4.32Å; L232-W236 HydrophobicContact CD2-CB 4.33Å; L232-W236 HydrophobicContact CD2-CD2 3.96Å; L232-W236 HydrophobicContact CD2-CE3 3.4Å; L232-W236 VanDerWaalsContact CD2-CE3 3.4Å; L232-W236 HydrophobicContact CD2-CG 4.36Å; L232-W236 HydrophobicContact CD2-CZ3 3.96Å; L232-W236 HydrophobicContact CG-CB 4.35Å
233K94.8Very high93.5Very high75 Ų7522.4 Ų22.433%0.32613%0.125SC..  trans-69.6121.9168.5-68.6-164.6-174.6172.90110.4Q191 Q193 K235 W236Q191-K233 HydrophobicContact CB-CB 4.18Å; Q191-K233 HydrophobicContact CB-CD 3.88Å; Q191-K233 HydrophobicContact CB-CG 4.07Å; Q191-K233 PolarHBondContact O-N 2.98Å; Q193-K233 HydrophobicContact CG-CG 4.26Å; Q193-K233 VanDerWaalsContact NE2-CE 3.28Å; K233-K235 PolarHBondContact O-N 3Å; K233-W236 WeakPolarHBondContact O-CB 3.35Å; K233-W236 PolarHBondContact O-N 3.44Å
234I94.8Very high93.8Very high47 Ų4722.2 Ų22.224%0.24112%0.124CC..THydrogen-bonded Turntrans-61.5-18.5-172.4-160.159.7000115.2P223 Y224 L232 W236 L237 E238P223-I234 HydrophobicContact CB-CD1 3.93Å; Y224-I234 HydrophobicContact CD1-CD1 3.84Å; Y224-I234 HydrophobicContact CD1-CG1 4.34Å; Y224-I234 HydrophobicContact CD2-CD1 4.37Å; Y224-I234 HydrophobicContact CE1-CD1 3.31Å; Y224-I234 HydrophobicContact CE1-CG1 3.57Å; Y224-I234 HydrophobicContact CE2-CD1 3.9Å; Y224-I234 HydrophobicContact CG-CD1 4.34Å; L232-I234 PolarHBondContact O-N 3.24Å; I234-W236 PolarHBondContact O-N 3.07Å; I234-L237 HydrophobicContact CD1-CB 3.79Å; I234-L237 HydrophobicContact CD1-CD2 3.72Å; I234-L237 HydrophobicContact CD1-CG 4.43Å; I234-L237 HydrophobicContact CG1-CB 4.39Å; I234-L237 WeakPolarHBondContact O-CB 3.42Å; I234-L237 PolarHBondContact O-N 3.14Å; I234-E238 PolarHBondContact O-N 2.86Å
235K95.6Very high94.2Very high36 Ų3619.1 Ų19.116%0.15711%0.112CC..Hα-helixtrans-52.3-26.4170.1-70.8-71168.5-161.90113.3K233 E238 G239 K315 E316 S320K233-K235 PolarHBondContact O-N 3Å; K235-E238 WeakPolarHBondContact CD-OE1 3.36Å; K235-E238 WeakPolarHBondContact CE-OE1 3.39Å; K235-E238 IonicContact NZ-OE1 3.95Å; K235-E238 PolarHBondContact NZ-OE1 3.21Å; K235-E238 IonicContact NZ-OE2 2.7Å; K235-G239 PolarHBondContact O-N 2.9Å; K235-K315 PolarHBondContact NZ-O 3.26Å; K235-E316 VanDerWaalsContact CE-OE1 3.31Å; K235-E316 WeakPolarHBondContact CE-OE1 3.19Å; K235-E316 IonicContact NZ-OE1 3.33Å; K235-E316 PolarHBondContact NZ-OE1 2.87Å; K235-E316 IonicContact NZ-OE2 4Å; K235-S320 PolarHBondContact NZ-OG 3.09Å
236W96.5Very high94.5Very high3 Ų318.1 Ų18.11%0.01110%0.104CC..Hα-helixtrans-61.6-46.8171.6174.379.7000112.1H40 F43 F44 Y167 P190 P223 L232 K233 I234 E238 G239 V240H40-W236 HydrophobicContact CB-CH2 3.82Å; H40-W236 HydrophobicContact CB-CZ2 3.6Å; H40-W236 WeakPolarHBondContact O-CZ2 3.42Å; F43-W236 AromaticContact CD1-CH2 3.84Å; F43-W236 HydrophobicContact CD1-CH2 3.84Å; F43-W236 HydrophobicContact CD1-CZ3 4.47Å; F44-W236 HydrophobicContact CB-CZ2 4.4Å; Y167-W236 AromaticContact CE2-NE1 3.64Å; Y167-W236 AromaticContact CZ-NE1 3.58Å; Y167-W236 PolarHBondContact OH-NE1 3.42Å; P190-W236 HydrophobicContact CB-CG 4.17Å; P223-W236 HydrophobicContact CG-CZ3 4.09Å; L232-W236 HydrophobicContact CD1-CB 4.11Å; L232-W236 HydrophobicContact CD1-CG 4.32Å; L232-W236 HydrophobicContact CD2-CB 4.33Å; L232-W236 HydrophobicContact CD2-CD2 3.96Å; L232-W236 HydrophobicContact CD2-CE3 3.4Å; L232-W236 VanDerWaalsContact CD2-CE3 3.4Å; L232-W236 HydrophobicContact CD2-CG 4.36Å; L232-W236 HydrophobicContact CD2-CZ3 3.96Å; L232-W236 HydrophobicContact CG-CB 4.35Å; K233-W236 WeakPolarHBondContact O-CB 3.35Å; K233-W236 PolarHBondContact O-N 3.44Å; I234-W236 PolarHBondContact O-N 3.07Å; W236-E238 VanDerWaalsContact C-N 3.32Å; W236-E238 PolarHBondContact O-N 3.13Å; W236-G239 CarbonylContact O-C 3.34Å; W236-G239 WeakPolarHBondContact O-CA 3.39Å; W236-G239 PolarHBondContact O-N 3.42Å; W236-V240 HydrophobicContact CD2-CG2 4.1Å; W236-V240 HydrophobicContact CE3-CG2 4.28Å; W236-V240 HydrophobicContact CH2-CG2 4.01Å; W236-V240 HydrophobicContact CZ2-CG2 3.7Å; W236-V240 HydrophobicContact CZ3-CG2 4.26Å; W236-V240 WeakPolarHBondContact O-CG2 3.41Å; W236-V240 PolarHBondContact O-N 2.98Å
237L96.4Very high94.9Very high2 Ų215.2 Ų15.21%0.018%0.084CC..Hα-helixtrans-64.5-39.3-179.9-172.160.1000110.8F43 P223 Y224 I234 G239 V240 F241 L333F43-L237 HydrophobicContact CE1-CD1 4.43Å; P223-L237 HydrophobicContact CB-CD2 4.19Å; P223-L237 HydrophobicContact CG-CD2 4.5Å; Y224-L237 HydrophobicContact CE2-CD2 3.83Å; I234-L237 HydrophobicContact CD1-CB 3.79Å; I234-L237 HydrophobicContact CD1-CD2 3.72Å; I234-L237 HydrophobicContact CD1-CG 4.43Å; I234-L237 HydrophobicContact CG1-CB 4.39Å; I234-L237 WeakPolarHBondContact O-CB 3.42Å; I234-L237 PolarHBondContact O-N 3.14Å; L237-G239 VanDerWaalsContact C-N 3.33Å; L237-G239 PolarHBondContact O-N 3.41Å; L237-V240 WeakPolarHBondContact O-CB 3.41Å; L237-V240 PolarHBondContact O-N 2.96Å; L237-V240 VanDerWaalsContact O-N 3.15Å; L237-F241 HydrophobicContact CD1-CE2 4.45Å; L237-F241 HydrophobicContact CG-CE2 4.44Å; L237-F241 WeakPolarHBondContact O-CD2 3.08Å; L237-F241 PolarHBondContact O-N 2.9Å; L237-L333 HydrophobicContact CD2-CB 4.43Å; L237-L333 HydrophobicContact CD2-CD1 3.79Å
238E96.1Very high95.2Very high3 Ų313.1 Ų13.11%0.0147%0.067CC..Hα-helixtrans-55.8-49.7169.4-61.4-175.9-135.300111I234 K235 W236 V240 F241 Y242 V312 T317 F319 S320 L323I234-E238 PolarHBondContact O-N 2.86Å; K235-E238 WeakPolarHBondContact CD-OE1 3.36Å; K235-E238 WeakPolarHBondContact CE-OE1 3.39Å; K235-E238 IonicContact NZ-OE1 3.95Å; K235-E238 PolarHBondContact NZ-OE1 3.21Å; K235-E238 IonicContact NZ-OE2 2.7Å; W236-E238 VanDerWaalsContact C-N 3.32Å; W236-E238 PolarHBondContact O-N 3.13Å; E238-V240 PolarHBondContact O-N 3.26Å; E238-F241 WeakPolarHBondContact O-CB 3.37Å; E238-F241 PolarHBondContact O-N 3.45Å; E238-Y242 VanDerWaalsContact O-CD2 3.28Å; E238-Y242 WeakPolarHBondContact O-CD2 3.48Å; E238-Y242 PolarHBondContact O-N 3.3Å; E238-V312 HydrophobicContact CB-CG1 4.17Å; E238-T317 PolarHBondContact OE2-OG1 3.24Å; E238-F319 HydrophobicContact CB-CD1 4.38Å; E238-F319 HydrophobicContact CG-CD1 4.14Å; E238-S320 WeakPolarHBondContact OE1-CA 3.43Å; E238-S320 VanDerWaalsContact OE1-CB 3.24Å; E238-S320 WeakPolarHBondContact OE1-CB 3.4Å; E238-S320 PolarHBondContact OE1-OG 2.91Å; E238-S320 PolarHBondContact OE2-OG 2.96Å; E238-L323 HydrophobicContact CG-CD1 3.65Å
239G97.9Very high95.7Very high0 Ų013.6 Ų13.60%07%0.068CC..Hα-helixtrans-55.5-35176.700000113.8K235 W236 L237 A243K235-G239 PolarHBondContact O-N 2.9Å; W236-G239 CarbonylContact O-C 3.34Å; W236-G239 WeakPolarHBondContact O-CA 3.39Å; W236-G239 PolarHBondContact O-N 3.42Å; L237-G239 VanDerWaalsContact C-N 3.33Å; L237-G239 PolarHBondContact O-N 3.41Å; G239-A243 VanDerWaalsContact O-CB 3.27Å; G239-A243 WeakPolarHBondContact O-CB 3.48Å; G239-A243 PolarHBondContact O-N 3.13Å
240V98.2Very high96Very high2 Ų215.9 Ų15.91%0.0129%0.087CC..Hα-helixtrans-63.1-45.5174.3173.10000111.6F44 L47 L188 W236 L237 E238 A243 A244 F266F44-V240 HydrophobicContact CD2-CB 4.33Å; F44-V240 HydrophobicContact CD2-CG1 3.99Å; F44-V240 HydrophobicContact CD2-CG2 3.8Å; F44-V240 HydrophobicContact CE2-CG1 4.41Å; F44-V240 HydrophobicContact CE2-CG2 4.32Å; L47-V240 HydrophobicContact CD1-CG1 3.54Å; L188-V240 HydrophobicContact CD2-CG2 4.01Å; W236-V240 HydrophobicContact CD2-CG2 4.1Å; W236-V240 HydrophobicContact CE3-CG2 4.28Å; W236-V240 HydrophobicContact CH2-CG2 4.01Å; W236-V240 HydrophobicContact CZ2-CG2 3.7Å; W236-V240 HydrophobicContact CZ3-CG2 4.26Å; W236-V240 WeakPolarHBondContact O-CG2 3.41Å; W236-V240 PolarHBondContact O-N 2.98Å; L237-V240 WeakPolarHBondContact O-CB 3.41Å; L237-V240 PolarHBondContact O-N 2.96Å; L237-V240 VanDerWaalsContact O-N 3.15Å; E238-V240 PolarHBondContact O-N 3.26Å; V240-A243 PolarHBondContact O-N 3.19Å; V240-A244 PolarHBondContact O-N 3.39Å; V240-A244 VanDerWaalsContact O-N 3.15Å; V240-F266 HydrophobicContact CG1-CE1 4.28Å; V240-F266 HydrophobicContact CG1-CZ 4.22Å
241F97.9Very high96Very high0 Ų018.7 Ų18.70%010%0.097CC..Hα-helixtrans-62.9-48.4176.3-87-98.2000112.1L237 E238 A243 A244 L245 F266 F284 F289 F319 L333L237-F241 HydrophobicContact CD1-CE2 4.45Å; L237-F241 HydrophobicContact CG-CE2 4.44Å; L237-F241 WeakPolarHBondContact O-CD2 3.08Å; L237-F241 PolarHBondContact O-N 2.9Å; E238-F241 WeakPolarHBondContact O-CB 3.37Å; E238-F241 PolarHBondContact O-N 3.45Å; F241-A243 VanDerWaalsContact C-N 3.26Å; F241-A243 PolarHBondContact O-N 2.93Å; F241-A244 WeakPolarHBondContact O-CB 3.4Å; F241-A244 PolarHBondContact O-N 2.88Å; F241-A244 VanDerWaalsContact O-N 3.15Å; F241-L245 PolarHBondContact O-N 3.4Å; F241-F266 HydrophobicContact CD1-CD2 4.09Å; F241-F266 AromaticContact CD1-CE2 3.96Å; F241-F266 HydrophobicContact CD1-CE2 3.96Å; F241-F266 HydrophobicContact CD1-CG 4.44Å; F241-F266 HydrophobicContact CD1-CZ 4.19Å; F241-F266 HydrophobicContact CD2-CD1 4.41Å; F241-F266 AromaticContact CD2-CE1 3.98Å; F241-F266 HydrophobicContact CD2-CE1 3.98Å; F241-F266 HydrophobicContact CD2-CZ 4.15Å; F241-F266 HydrophobicContact CE1-CB 4.03Å; F241-F266 AromaticContact CE1-CD1 3.87Å; F241-F266 HydrophobicContact CE1-CD1 3.87Å; F241-F266 AromaticContact CE1-CD2 3.51Å; F241-F266 HydrophobicContact CE1-CD2 3.51Å; F241-F266 HydrophobicContact CE1-CE1 4.16Å; F241-F266 AromaticContact CE1-CE2 3.85Å; F241-F266 HydrophobicContact CE1-CE2 3.85Å; F241-F266 AromaticContact CE1-CG 3.53Å; F241-F266 HydrophobicContact CE1-CG 3.53Å; F241-F266 HydrophobicContact CE1-CZ 4.15Å; F241-F266 AromaticContact CE2-CD1 3.59Å; F241-F266 HydrophobicContact CE2-CD1 3.59Å; F241-F266 AromaticContact CE2-CE1 3.57Å; F241-F266 HydrophobicContact CE2-CE1 3.57Å; F241-F266 HydrophobicContact CE2-CG 4.14Å; F241-F266 HydrophobicContact CE2-CZ 4.12Å; F241-F266 HydrophobicContact CG-CE1 4.46Å; F241-F266 HydrophobicContact CG-CE2 4.41Å; F241-F266 HydrophobicContact CG-CZ 4.2Å; F241-F266 HydrophobicContact CZ-CB 3.8Å; F241-F266 AromaticContact CZ-CD1 3.27Å; F241-F266 HydrophobicContact CZ-CD1 3.27Å; F241-F266 AromaticContact CZ-CD2 3.84Å; F241-F266 HydrophobicContact CZ-CD2 3.84Å; F241-F266 AromaticContact CZ-CE1 3.67Å; F241-F266 HydrophobicContact CZ-CE1 3.67Å; F241-F266 HydrophobicContact CZ-CE2 4.2Å; F241-F266 AromaticContact CZ-CG 3.35Å; F241-F266 HydrophobicContact CZ-CG 3.35Å; F241-F266 HydrophobicContact CZ-CZ 4.12Å; F241-F284 AromaticContact CE1-CE1 3.94Å; F241-F284 HydrophobicContact CE1-CE1 3.94Å; F241-F284 HydrophobicContact CE1-CE2 4.07Å; F241-F284 AromaticContact CE1-CZ 3.51Å; F241-F284 HydrophobicContact CE1-CZ 3.51Å; F241-F284 HydrophobicContact CZ-CE1 4.46Å; F241-F284 AromaticContact CZ-CZ 3.93Å; F241-F284 HydrophobicContact CZ-CZ 3.93Å; F241-F289 HydrophobicContact CB-CE1 4.36Å; F241-F289 AromaticContact CD1-CE1 3.98Å; F241-F289 HydrophobicContact CD1-CE1 3.98Å; F241-F289 HydrophobicContact CD1-CZ 4.14Å; F241-F319 HydrophobicContact CB-CD1 4.35Å; F241-F319 HydrophobicContact CB-CE1 3.86Å; F241-F319 HydrophobicContact CB-CZ 4.41Å; F241-F319 AromaticContact CD1-CE1 3.95Å; F241-F319 HydrophobicContact CD1-CE1 3.95Å; F241-F319 HydrophobicContact CD1-CE2 4.41Å; F241-F319 AromaticContact CD1-CZ 3.64Å; F241-F319 HydrophobicContact CD1-CZ 3.64Å; F241-F319 AromaticContact CD2-CE1 3.53Å; F241-F319 HydrophobicContact CD2-CE1 3.53Å; F241-F319 AromaticContact CD2-CZ 3.84Å; F241-F319 HydrophobicContact CD2-CZ 3.84Å; F241-F319 HydrophobicContact CE1-CE1 4.37Å; F241-F319 HydrophobicContact CE1-CE2 4.5Å; F241-F319 AromaticContact CE1-CZ 3.72Å; F241-F319 HydrophobicContact CE1-CZ 3.72Å; F241-F319 AromaticContact CE2-CE1 3.99Å; F241-F319 HydrophobicContact CE2-CE1 3.99Å; F241-F319 AromaticContact CE2-CZ 3.91Å; F241-F319 HydrophobicContact CE2-CZ 3.91Å; F241-F319 HydrophobicContact CG-CD1 4.43Å; F241-F319 AromaticContact CG-CE1 3.5Å; F241-F319 HydrophobicContact CG-CE1 3.5Å; F241-F319 VanDerWaalsContact CG-CE1 3.5Å; F241-F319 AromaticContact CG-CZ 3.69Å; F241-F319 HydrophobicContact CG-CZ 3.69Å; F241-F319 HydrophobicContact CZ-CE1 4.38Å; F241-F319 AromaticContact CZ-CZ 3.84Å; F241-F319 HydrophobicContact CZ-CZ 3.84Å; F241-L333 HydrophobicContact CE2-CD1 4.09Å; F241-L333 HydrophobicContact CE2-CD2 3.95Å; F241-L333 HydrophobicContact CZ-CD1 4.27Å; F241-L333 HydrophobicContact CZ-CD2 3.7Å
242Y98.3Very high96.1Very high3 Ų321.7 Ų21.71%0.01211%0.114CC..Hα-helixtrans-67.2-27.6179.4-76.3-86.5000112.5E238 L245 N246 F289 F307 V312 T317 F319E238-Y242 VanDerWaalsContact O-CD2 3.28Å; E238-Y242 WeakPolarHBondContact O-CD2 3.48Å; E238-Y242 PolarHBondContact O-N 3.3Å; Y242-L245 HydrophobicContact CD1-CD1 3.86Å; Y242-L245 HydrophobicContact CE1-CD1 4.22Å; Y242-L245 HydrophobicContact CG-CD1 4.39Å; Y242-L245 PolarHBondContact O-N 3.45Å; Y242-N246 WeakPolarHBondContact O-CB 3.47Å; Y242-N246 PolarHBondContact O-N 2.92Å; Y242-F289 HydrophobicContact CE1-CB 4.42Å; Y242-F289 PolarHBondContact OH-O 3.31Å; Y242-F307 HydrophobicContact CD1-CB 3.87Å; Y242-F307 AromaticContact CD1-CD1 3.57Å; Y242-F307 HydrophobicContact CD1-CD1 3.57Å; Y242-F307 AromaticContact CD1-CD2 3.7Å; Y242-F307 HydrophobicContact CD1-CD2 3.7Å; Y242-F307 AromaticContact CD1-CE1 3.93Å; Y242-F307 HydrophobicContact CD1-CE1 3.93Å; Y242-F307 HydrophobicContact CD1-CE2 4.04Å; Y242-F307 AromaticContact CD1-CG 3.44Å; Y242-F307 HydrophobicContact CD1-CG 3.44Å; Y242-F307 VanDerWaalsContact CD1-CG 3.44Å; Y242-F307 HydrophobicContact CD1-CZ 4.14Å; Y242-F307 AromaticContact CE1-CD1 3.56Å; Y242-F307 HydrophobicContact CE1-CD1 3.56Å; Y242-F307 HydrophobicContact CE1-CD2 4.33Å; Y242-F307 AromaticContact CE1-CE1 3.57Å; Y242-F307 HydrophobicContact CE1-CE1 3.57Å; Y242-F307 HydrophobicContact CE1-CE2 4.32Å; Y242-F307 AromaticContact CE1-CG 3.95Å; Y242-F307 HydrophobicContact CE1-CG 3.95Å; Y242-F307 AromaticContact CE1-CZ 3.96Å; Y242-F307 HydrophobicContact CE1-CZ 3.96Å; Y242-V312 HydrophobicContact CD1-CG2 3.96Å; Y242-V312 HydrophobicContact CD2-CB 4.34Å; Y242-V312 HydrophobicContact CD2-CG1 3.38Å; Y242-V312 HydrophobicContact CD2-CG2 3.97Å; Y242-V312 HydrophobicContact CE1-CG2 4.34Å; Y242-V312 HydrophobicContact CE2-CG1 3.86Å; Y242-V312 HydrophobicContact CE2-CG2 4.35Å; Y242-V312 HydrophobicContact CG-CB 4.49Å; Y242-V312 HydrophobicContact CG-CG1 3.92Å; Y242-V312 HydrophobicContact CG-CG2 3.76Å; Y242-T317 HydrophobicContact CE2-CG2 4.38Å; Y242-T317 WeakPolarHBondContact OH-CB 3.36Å; Y242-T317 PolarHBondContact OH-OG1 3.12Å; Y242-F319 HydrophobicContact CE2-CB 3.9Å; Y242-F319 HydrophobicContact CE2-CD1 4.47Å
243A98.3Very high96Very high0 Ų022.3 Ų22.30%012%0.117CC..Hα-helixtrans-65.3-43.317100000111.7F44 I165 G239 V240 F241 L245 N246 I247 L309F44-A243 HydrophobicContact CE2-CB 4.06Å; F44-A243 HydrophobicContact CZ-CB 4.27Å; I165-A243 HydrophobicContact CD1-CB 4.14Å; G239-A243 VanDerWaalsContact O-CB 3.27Å; G239-A243 WeakPolarHBondContact O-CB 3.48Å; G239-A243 PolarHBondContact O-N 3.13Å; V240-A243 PolarHBondContact O-N 3.19Å; F241-A243 VanDerWaalsContact C-N 3.26Å; F241-A243 PolarHBondContact O-N 2.93Å; A243-L245 VanDerWaalsContact C-N 3.35Å; A243-N246 PolarHBondContact O-N 2.82Å; A243-I247 WeakPolarHBondContact O-CG1 3.43Å; A243-I247 PolarHBondContact O-N 3.24Å; A243-L309 HydrophobicContact CB-CD1 3.88Å
244A97.4Very high95.9Very high2 Ų219.4 Ų19.42%0.01711%0.107CC..Hα-helixtrans-61.5-42.6173.200000111.7L51 V240 F241 N246 I247 C248 L262 F266L51-A244 HydrophobicContact CD2-CB 3.9Å; V240-A244 PolarHBondContact O-N 3.39Å; V240-A244 VanDerWaalsContact O-N 3.15Å; F241-A244 WeakPolarHBondContact O-CB 3.4Å; F241-A244 PolarHBondContact O-N 2.88Å; F241-A244 VanDerWaalsContact O-N 3.15Å; A244-N246 VanDerWaalsContact C-N 3.35Å; A244-N246 PolarHBondContact O-N 3.48Å; A244-I247 PolarHBondContact O-N 2.89Å; A244-C248 PolarHBondContact O-N 3.32Å; A244-C248 PolarHBondContact O-SG 2.9Å; A244-C248 VanDerWaalsContact O-SG 3.36Å; A244-L262 HydrophobicContact CB-CD2 4.05Å; A244-F266 HydrophobicContact CB-CE2 4.48Å
245L97.3Very high95.8Very high0 Ų017.5 Ų17.50%010%0.097CC..Hα-helixtrans-59-43.3173.9-70.4176000112.5F241 Y242 A243 C248 T249 V258 L262 F289 F304 F307F241-L245 PolarHBondContact O-N 3.4Å; Y242-L245 HydrophobicContact CD1-CD1 3.86Å; Y242-L245 HydrophobicContact CE1-CD1 4.22Å; Y242-L245 HydrophobicContact CG-CD1 4.39Å; Y242-L245 PolarHBondContact O-N 3.45Å; A243-L245 VanDerWaalsContact C-N 3.35Å; L245-C248 PolarHBondContact O-N 3.29Å; L245-T249 VanDerWaalsContact O-CB 3.3Å; L245-T249 WeakPolarHBondContact O-CB 3.5Å; L245-T249 PolarHBondContact O-N 3.27Å; L245-T249 PolarHBondContact O-OG1 3.49Å; L245-V258 HydrophobicContact CD2-CG1 3.48Å; L245-V258 VanDerWaalsContact CD2-CG1 3.48Å; L245-L262 HydrophobicContact CD2-CD1 3.63Å; L245-L262 HydrophobicContact CG-CD1 4.29Å; L245-F289 HydrophobicContact CD1-CB 3.93Å; L245-F289 HydrophobicContact CD1-CD1 3.67Å; L245-F289 HydrophobicContact CD1-CD2 4.47Å; L245-F289 HydrophobicContact CD1-CE1 4.3Å; L245-F289 HydrophobicContact CD1-CG 3.77Å; L245-F304 HydrophobicContact CD2-CD2 3.73Å; L245-F304 HydrophobicContact CD2-CE2 3.88Å; L245-F304 HydrophobicContact CD2-CG 4.17Å; L245-F304 HydrophobicContact CD2-CZ 4.48Å; L245-F307 HydrophobicContact CB-CD2 4.11Å; L245-F307 HydrophobicContact CB-CE2 3.94Å; L245-F307 HydrophobicContact CD1-CD2 4.34Å; L245-F307 HydrophobicContact CD1-CE2 3.73Å; L245-F307 HydrophobicContact CD1-CZ 4.22Å; L245-F307 HydrophobicContact CG-CE2 4.43Å
246N97.8Very high95.6Very high1 Ų118.5 Ų18.51%0.00511%0.108CC..Hα-helixtrans-63.2-40177.6-82.3-7.9000112N186 Y242 A243 A244 T249 A250 W306 F307N186-N246 PolarHBondContact OD1-ND2 2.86Å; N186-N246 VanDerWaalsContact OD1-ND2 3.15Å; Y242-N246 WeakPolarHBondContact O-CB 3.47Å; Y242-N246 PolarHBondContact O-N 2.92Å; A243-N246 PolarHBondContact O-N 2.82Å; A244-N246 VanDerWaalsContact C-N 3.35Å; A244-N246 PolarHBondContact O-N 3.48Å; N246-T249 PolarHBondContact O-N 2.94Å; N246-A250 WeakPolarHBondContact O-CB 3.47Å; N246-A250 PolarHBondContact O-N 3.36Å; N246-W306 HydrophobicContact CB-CE3 4.1Å; N246-W306 HydrophobicContact CB-CH2 3.94Å; N246-W306 HydrophobicContact CB-CZ2 4.49Å; N246-W306 HydrophobicContact CB-CZ3 3.73Å; N246-W306 WeakPolarHBondContact O-CZ3 3.45Å; N246-F307 PolarHBondContact ND2-O 2.64Å; N246-F307 PolarHBondContact OD1-N 2.96Å
247I95.7Very high95.5Very high18 Ų1821.6 Ų21.69%0.09212%0.123CC..Hα-helixtrans-62.3-47.5175.1-69.8165.1000110.7L48 L51 L55 I165 A243 A244 T249 A250 R251L48-I247 HydrophobicContact CD1-CD1 4.07Å; L48-I247 HydrophobicContact CD2-CD1 3.45Å; L48-I247 VanDerWaalsContact CD2-CD1 3.45Å; L48-I247 HydrophobicContact CG-CD1 4.3Å; L51-I247 HydrophobicContact CD2-CB 4.04Å; L51-I247 HydrophobicContact CD2-CD1 4.02Å; L51-I247 HydrophobicContact CD2-CG2 3.88Å; L55-I247 HydrophobicContact CD1-CG2 4.08Å; I165-I247 HydrophobicContact CD1-CD1 3.91Å; I165-I247 HydrophobicContact CD1-CG1 4.36Å; A243-I247 WeakPolarHBondContact O-CG1 3.43Å; A243-I247 PolarHBondContact O-N 3.24Å; A244-I247 PolarHBondContact O-N 2.89Å; I247-T249 VanDerWaalsContact C-N 3.32Å; I247-T249 PolarHBondContact O-N 3.44Å; I247-A250 WeakPolarHBondContact O-CB 3.4Å; I247-A250 PolarHBondContact O-N 2.88Å; I247-R251 PolarHBondContact O-N 2.91Å
248C95.4Very high95.4Very high0 Ų021.5 Ų21.50%012%0.122CC..Hα-helixtrans-63-39.3177.1-670000112.5A244 L245 R251 N252 M253 V258A244-C248 PolarHBondContact O-N 3.32Å; A244-C248 PolarHBondContact O-SG 2.9Å; A244-C248 VanDerWaalsContact O-SG 3.36Å; L245-C248 PolarHBondContact O-N 3.29Å; C248-R251 CarbonylContact O-C 3.55Å; C248-R251 PolarHBondContact O-N 3.46Å; C248-N252 PolarHBondContact O-N 2.92Å; C248-M253 HydrophobicContact CB-CB 4.44Å; C248-M253 HydrophobicContact CB-CE 4.44Å; C248-M253 WeakPolarHBondContact O-CB 3.25Å; C248-M253 PolarHBondContact O-N 2.85Å; C248-M253 VanDerWaalsContact O-N 3.09Å; C248-V258 HydrophobicContact CB-CG1 4.04Å; C248-V258 HydrophobicContact CB-CG2 3.67Å
249T95.4Very high95.3Very high21 Ų2122.4 Ų22.413%0.12913%0.127CC..Hα-helixtrans-64.4-40.2176.5-610000111.4L245 N246 I247 R251 N252 P303 F304L245-T249 VanDerWaalsContact O-CB 3.3Å; L245-T249 WeakPolarHBondContact O-CB 3.5Å; L245-T249 PolarHBondContact O-N 3.27Å; L245-T249 PolarHBondContact O-OG1 3.49Å; N246-T249 PolarHBondContact O-N 2.94Å; I247-T249 VanDerWaalsContact C-N 3.32Å; I247-T249 PolarHBondContact O-N 3.44Å; T249-R251 PolarHBondContact O-N 3.2Å; T249-N252 WeakPolarHBondContact O-CA 3.36Å; T249-N252 PolarHBondContact O-N 3.44Å; T249-P303 HydrophobicContact CG2-CB 4.47Å; T249-F304 WeakPolarHBondContact CG2-O 3.31Å; T249-F304 PolarHBondContact OG1-O 2.82Å
250A94.4Very high95.1Very high54 Ų5428 Ų2845%0.44615%0.153SC..Hα-helixtrans-62.8-29.8175.600000112.7T163 N246 I247 N252 W306T163-A250 HydrophobicContact CG2-CB 3.56Å; N246-A250 WeakPolarHBondContact O-CB 3.47Å; N246-A250 PolarHBondContact O-N 3.36Å; I247-A250 WeakPolarHBondContact O-CB 3.4Å; I247-A250 PolarHBondContact O-N 2.88Å; A250-N252 PolarHBondContact O-N 3.06Å; A250-W306 HydrophobicContact CB-CZ3 4.45Å
251R91.9Very high94.9Very high59 Ų5928.1 Ų28.122%0.22315%0.154CC..THydrogen-bonded Turntrans-85.49.6171.9-64.9-162.6176.3-165.7-1.9113.7L55 N56 E75 I247 C248 T249 M253L55-R251 VanDerWaalsContact CB-NH1 3.3Å; N56-R251 PolarHBondContact OD1-NH1 3.32Å; E75-R251 IonicContact OE2-CZ 3.58Å; E75-R251 IonicContact OE2-NH2 2.73Å; E75-R251 PolarHBondContact OE2-NH2 3.05Å; I247-R251 PolarHBondContact O-N 2.91Å; C248-R251 CarbonylContact O-C 3.55Å; C248-R251 PolarHBondContact O-N 3.46Å; T249-R251 PolarHBondContact O-N 3.2Å; R251-M253 PolarHBondContact O-N 2.85Å
252N92.6Very high94.7Very high121 Ų12128.2 Ų28.265%0.64715%0.154SC*.THydrogen-bonded Turntrans53.335.6-179-16443.2000113.2C248 T249 A250C248-N252 PolarHBondContact O-N 2.92Å; T249-N252 WeakPolarHBondContact O-CA 3.36Å; T249-N252 PolarHBondContact O-N 3.44Å; A250-N252 PolarHBondContact O-N 3.06Å
253M93.1Very high94.5Very high22 Ų2229.7 Ų29.711%0.10817%0.165CC..  trans-79.2132.7-176.3-160.616791.500111.2L55 C248 R251 Q257 V258 L261 P303L55-M253 HydrophobicContact CD2-CE 4.31Å; L55-M253 HydrophobicContact CD2-SD 3.61Å; C248-M253 HydrophobicContact CB-CB 4.44Å; C248-M253 HydrophobicContact CB-CE 4.44Å; C248-M253 WeakPolarHBondContact O-CB 3.25Å; C248-M253 PolarHBondContact O-N 2.85Å; C248-M253 VanDerWaalsContact O-N 3.09Å; R251-M253 PolarHBondContact O-N 2.85Å; M253-Q257 HydrophobicContact CE-CB 4Å; M253-Q257 HydrophobicContact CG-CB 4.01Å; M253-Q257 HydrophobicContact SD-CB 4.31Å; M253-V258 HydrophobicContact CB-CG2 4Å; M253-V258 VanDerWaalsContact CE-CA 3.41Å; M253-V258 HydrophobicContact CE-CB 4.02Å; M253-V258 HydrophobicContact CE-CG2 3.5Å; M253-V258 VanDerWaalsContact CE-CG2 3.5Å; M253-V258 HydrophobicContact CG-CG2 4.18Å; M253-L261 HydrophobicContact CE-CB 4.07Å; M253-L261 HydrophobicContact CE-CD2 3.57Å; M253-L261 HydrophobicContact CE-CG 4.5Å; M253-L261 HydrophobicContact SD-CD2 4.42Å; M253-P303 VanDerWaalsContact O-CA 3.24Å; M253-P303 WeakPolarHBondContact O-CA 3.44Å; M253-P303 WeakPolarHBondContact O-CB 3.43Å
254A93.6Very high94.2Very high14 Ų1434.1 Ų34.112%0.11619%0.186CC..  trans-58.6136.3178.300000111.3S256 Q257 V258A254-S256 PolarHBondContact O-N 3.39Å; A254-S256 VanDerWaalsContact O-N 3.1Å; A254-Q257 HydrophobicContact CB-CG 4.46Å; A254-Q257 WeakPolarHBondContact O-CB 3.17Å; A254-Q257 PolarHBondContact O-N 3.35Å; A254-V258 WeakPolarHBondContact O-CG2 3.39Å; A254-V258 PolarHBondContact O-N 3.41Å; A254-V258 VanDerWaalsContact O-N 3.07Å
255H93.1Very high93.9Very high7 Ų734.7 Ų34.73%0.03219%0.188CC..Hα-helixtrans-59.6-29.4-172.467.2-101.8000113.9V258 L259 I286 L298 S299 Q300 R302 F304H255-V258 WeakPolarHBondContact O-CB 3.23Å; H255-V258 PolarHBondContact O-N 3.39Å; H255-L259 WeakPolarHBondContact O-CG 3.37Å; H255-L259 PolarHBondContact O-N 3.18Å; H255-I286 WeakPolarHBondContact CD2-CD1 3.48Å; H255-I286 WeakPolarHBondContact NE2-CD1 3.32Å; H255-L298 HydrophobicContact CB-CD2 4.12Å; H255-L298 WeakPolarHBondContact ND1-CD2 3.49Å; H255-S299 VanDerWaalsContact CE1-C 3.46Å; H255-S299 PolarHBondContact CE1-O 3.39Å; H255-S299 PolarHBondContact ND1-O 2.92Å; H255-Q300 WeakPolarHBondContact CE1-CA 3.28Å; H255-R302 PolarHBondContact N-O 3.1Å; H255-R302 PolarHBondContact ND1-O 3.01Å; H255-F304 HydrophobicContact CB-CD2 3.67Å; H255-F304 HydrophobicContact CB-CE2 3.53Å; H255-F304 HydrophobicContact CB-CG 4.28Å; H255-F304 HydrophobicContact CB-CZ 4.01Å
256S91.4Very high93.7Very high56 Ų5634.8 Ų34.839%0.39219%0.189SC..Hα-helixtrans-62.4-44175.6540000111.7A254 V258 L259 Q260A254-S256 PolarHBondContact O-N 3.39Å; A254-S256 VanDerWaalsContact O-N 3.1Å; S256-V258 VanDerWaalsContact C-N 3.31Å; S256-L259 PolarHBondContact O-N 2.89Å; S256-Q260 PolarHBondContact O-N 2.84Å
257Q92.9Very high93.4Very high69 Ų6935.3 Ų35.332%0.32219%0.191SC..Hα-helixtrans-66.3-36.1174.1-63.3174.4-3.300110.8M253 A254 Q260 L261M253-Q257 HydrophobicContact CE-CB 4Å; M253-Q257 HydrophobicContact CG-CB 4.01Å; M253-Q257 HydrophobicContact SD-CB 4.31Å; A254-Q257 HydrophobicContact CB-CG 4.46Å; A254-Q257 WeakPolarHBondContact O-CB 3.17Å; A254-Q257 PolarHBondContact O-N 3.35Å; Q257-Q260 PolarHBondContact O-N 3.27Å; Q257-L261 WeakPolarHBondContact O-CB 3.23Å; Q257-L261 PolarHBondContact O-N 3.06Å
258V94.8Very high92.9Very high0 Ų037.9 Ų37.90%021%0.211CC..Hα-helixtrans-64.6-43.4177.6-1800000111L245 C248 M253 A254 H255 S256 Q260 L261 L262 F304L245-V258 HydrophobicContact CD2-CG1 3.48Å; L245-V258 VanDerWaalsContact CD2-CG1 3.48Å; C248-V258 HydrophobicContact CB-CG1 4.04Å; C248-V258 HydrophobicContact CB-CG2 3.67Å; M253-V258 HydrophobicContact CB-CG2 4Å; M253-V258 VanDerWaalsContact CE-CA 3.41Å; M253-V258 HydrophobicContact CE-CB 4.02Å; M253-V258 HydrophobicContact CE-CG2 3.5Å; M253-V258 VanDerWaalsContact CE-CG2 3.5Å; M253-V258 HydrophobicContact CG-CG2 4.18Å; A254-V258 WeakPolarHBondContact O-CG2 3.39Å; A254-V258 PolarHBondContact O-N 3.41Å; A254-V258 VanDerWaalsContact O-N 3.07Å; H255-V258 WeakPolarHBondContact O-CB 3.23Å; H255-V258 PolarHBondContact O-N 3.39Å; S256-V258 VanDerWaalsContact C-N 3.31Å; V258-Q260 VanDerWaalsContact C-N 3.34Å; V258-Q260 PolarHBondContact O-N 3.36Å; V258-L261 PolarHBondContact O-N 3.33Å; V258-L262 HydrophobicContact CG1-CD1 4.24Å; V258-L262 HydrophobicContact CG1-CG 4.27Å; V258-L262 WeakPolarHBondContact O-CB 3.09Å; V258-L262 VanDerWaalsContact O-CG 3.3Å; V258-L262 WeakPolarHBondContact O-CG 3.44Å; V258-L262 PolarHBondContact O-N 3.14Å; V258-F304 HydrophobicContact CB-CD2 4.01Å; V258-F304 HydrophobicContact CB-CE2 3.91Å; V258-F304 HydrophobicContact CG1-CD2 3.87Å; V258-F304 HydrophobicContact CG1-CE2 3.85Å; V258-F304 HydrophobicContact CG2-CD2 4.31Å
259L94.8Very high92.2Very high21 Ų2139.8 Ų39.811%0.1122%0.223CC..Hα-helixtrans-64.7-38.3178.1-69.6173.9000112.5H255 S256 S263 F284 I286 F289 F304H255-L259 WeakPolarHBondContact O-CG 3.37Å; H255-L259 PolarHBondContact O-N 3.18Å; S256-L259 PolarHBondContact O-N 2.89Å; L259-S263 WeakPolarHBondContact O-CB 3.46Å; L259-S263 PolarHBondContact O-N 2.63Å; L259-S263 PolarHBondContact O-OG 3.45Å; L259-F284 HydrophobicContact CD2-CB 3.84Å; L259-I286 HydrophobicContact CD1-CG1 3.66Å; L259-F289 HydrophobicContact CD2-CD2 4.06Å; L259-F289 HydrophobicContact CD2-CE2 3.77Å; L259-F304 HydrophobicContact CD2-CE2 4.35Å; L259-F304 HydrophobicContact CD2-CZ 3.98Å; L259-F304 HydrophobicContact CG-CE2 4.3Å; L259-F304 HydrophobicContact CG-CZ 4.18Å
260Q92.6Very high91.5Very high118 Ų11843.4 Ų43.455%0.55124%0.238SC*.Hα-helixtrans-62.4-50.4173-178.5-180-12.200110.6S256 Q257 V258 L262 S263 E264S256-Q260 PolarHBondContact O-N 2.84Å; Q257-Q260 PolarHBondContact O-N 3.27Å; V258-Q260 VanDerWaalsContact C-N 3.34Å; V258-Q260 PolarHBondContact O-N 3.36Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; Q260-L262 PolarHBondContact O-N 2.82Å; Q260-S263 WeakPolarHBondContact O-CA 3.38Å; Q260-S263 WeakPolarHBondContact O-CB 3.41Å; Q260-S263 PolarHBondContact O-N 3.25Å; Q260-E264 WeakPolarHBondContact CG-OE1 3.31Å; Q260-E264 PolarHBondContact NE2-OE1 2.99Å; Q260-E264 WeakPolarHBondContact O-CG 3.26Å; Q260-E264 PolarHBondContact O-N 2.76Å
261L93.9Very high90.3Very high5 Ų542.4 Ų42.43%0.02622%0.224CC..Hα-helixtrans-61.3-39.4179.6-179.458.8000112.5L51 L55 M253 Q257 V258 S263 E264 L265L51-L261 HydrophobicContact CD1-CD1 4.38Å; L51-L261 HydrophobicContact CD1-CD2 3.45Å; L51-L261 VanDerWaalsContact CD1-CD2 3.45Å; L51-L261 HydrophobicContact CD1-CG 3.8Å; L55-L261 HydrophobicContact CD2-CD2 3.7Å; L55-L261 HydrophobicContact CG-CD2 4.07Å; M253-L261 HydrophobicContact CE-CB 4.07Å; M253-L261 HydrophobicContact CE-CD2 3.57Å; M253-L261 HydrophobicContact CE-CG 4.5Å; M253-L261 HydrophobicContact SD-CD2 4.42Å; Q257-L261 WeakPolarHBondContact O-CB 3.23Å; Q257-L261 PolarHBondContact O-N 3.06Å; V258-L261 PolarHBondContact O-N 3.33Å; L261-S263 VanDerWaalsContact C-N 3.32Å; L261-E264 PolarHBondContact O-N 3.07Å; L261-L265 VanDerWaalsContact O-CB 3.23Å; L261-L265 WeakPolarHBondContact O-CB 3.2Å; L261-L265 PolarHBondContact O-N 3.2Å
262L94.8Very high89Confident1 Ų146 Ų461%0.00524%0.243CC..Hα-helixtrans-64.5-38173.6-72.9-178.5000111.8A244 L245 V258 Q260 L265 F266 F284 F289A244-L262 HydrophobicContact CB-CD2 4.05Å; L245-L262 HydrophobicContact CD2-CD1 3.63Å; L245-L262 HydrophobicContact CG-CD1 4.29Å; V258-L262 HydrophobicContact CG1-CD1 4.24Å; V258-L262 HydrophobicContact CG1-CG 4.27Å; V258-L262 WeakPolarHBondContact O-CB 3.09Å; V258-L262 VanDerWaalsContact O-CG 3.3Å; V258-L262 WeakPolarHBondContact O-CG 3.44Å; V258-L262 PolarHBondContact O-N 3.14Å; Q260-L262 VanDerWaalsContact C-N 3.33Å; Q260-L262 PolarHBondContact O-N 2.82Å; L262-L265 PolarHBondContact O-N 3Å; L262-F266 HydrophobicContact CB-CD2 4.45Å; L262-F266 HydrophobicContact CD2-CD2 3.9Å; L262-F266 HydrophobicContact CD2-CE2 3.62Å; L262-F266 WeakPolarHBondContact O-CB 3.48Å; L262-F266 WeakPolarHBondContact O-CD2 3.33Å; L262-F266 PolarHBondContact O-N 3.13Å; L262-F284 HydrophobicContact CB-CD2 3.89Å; L262-F284 HydrophobicContact CB-CE2 4.28Å; L262-F289 HydrophobicContact CD1-CE2 3.88Å; L262-F289 HydrophobicContact CD1-CZ 3.77Å
263S93.1Very high87.6Confident35 Ų3543.9 Ų43.925%0.24523%0.232CC..Hα-helixtrans-65.1-44.6176.5-55.70000110.6L259 Q260 L261 L265 L267L259-S263 WeakPolarHBondContact O-CB 3.46Å; L259-S263 PolarHBondContact O-N 2.63Å; L259-S263 PolarHBondContact O-OG 3.45Å; Q260-S263 WeakPolarHBondContact O-CA 3.38Å; Q260-S263 WeakPolarHBondContact O-CB 3.41Å; Q260-S263 PolarHBondContact O-N 3.25Å; L261-S263 VanDerWaalsContact C-N 3.32Å; S263-L265 PolarHBondContact O-N 3.16Å; S263-L267 WeakPolarHBondContact O-CA 3.07Å; S263-L267 WeakPolarHBondContact O-CB 3.28Å; S263-L267 PolarHBondContact O-N 2.97Å
264E91.4Very high86.4Confident93 Ų9342.9 Ų42.944%0.43523%0.227SC..Hα-helixtrans-62.2-42.1175.1-69.2167-170.900111.9Q260 L261 S268Q260-E264 WeakPolarHBondContact CG-OE1 3.31Å; Q260-E264 PolarHBondContact NE2-OE1 2.99Å; Q260-E264 WeakPolarHBondContact O-CG 3.26Å; Q260-E264 PolarHBondContact O-N 2.76Å; L261-E264 PolarHBondContact O-N 3.07Å; E264-S268 WeakPolarHBondContact O-CB 3.42Å; E264-S268 PolarHBondContact O-OG 3.15Å; E264-S268 VanDerWaalsContact O-OG 3.12Å
265L92.9Very high84.9Confident14 Ų1444.8 Ų44.87%0.07325%0.248CC..Hα-helixtrans-73.3-42.3-177.1-175.562.3000113L47 N50 L51 L261 L262 S263L47-L265 HydrophobicContact CD2-CD1 3.99Å; L47-L265 HydrophobicContact CD2-CD2 4.5Å; L47-L265 HydrophobicContact CD2-CG 4Å; N50-L265 HydrophobicContact CB-CD1 3.66Å; L51-L265 HydrophobicContact CB-CD2 4Å; L51-L265 HydrophobicContact CD1-CD2 4.08Å; L261-L265 VanDerWaalsContact O-CB 3.23Å; L261-L265 WeakPolarHBondContact O-CB 3.2Å; L261-L265 PolarHBondContact O-N 3.2Å; L262-L265 PolarHBondContact O-N 3Å; S263-L265 PolarHBondContact O-N 3.16Å
266F92.9Very high83.5Confident1 Ų152.5 Ų52.50%0.00428%0.281CS..Hα-helixtrans-103.1-17.3-170.6-70.9-82.8000114.7L47 V240 F241 A244 L262 F284 L333 L336L47-F266 HydrophobicContact CD1-CE1 3.57Å; L47-F266 HydrophobicContact CD1-CZ 3.98Å; L47-F266 HydrophobicContact CD2-CD1 4.44Å; L47-F266 HydrophobicContact CD2-CE1 4.11Å; L47-F266 HydrophobicContact CD2-CZ 4.49Å; L47-F266 HydrophobicContact CG-CE1 4.48Å; V240-F266 HydrophobicContact CG1-CE1 4.28Å; V240-F266 HydrophobicContact CG1-CZ 4.22Å; F241-F266 HydrophobicContact CD1-CD2 4.09Å; F241-F266 AromaticContact CD1-CE2 3.96Å; F241-F266 HydrophobicContact CD1-CE2 3.96Å; F241-F266 HydrophobicContact CD1-CG 4.44Å; F241-F266 HydrophobicContact CD1-CZ 4.19Å; F241-F266 HydrophobicContact CD2-CD1 4.41Å; F241-F266 AromaticContact CD2-CE1 3.98Å; F241-F266 HydrophobicContact CD2-CE1 3.98Å; F241-F266 HydrophobicContact CD2-CZ 4.15Å; F241-F266 HydrophobicContact CE1-CB 4.03Å; F241-F266 AromaticContact CE1-CD1 3.87Å; F241-F266 HydrophobicContact CE1-CD1 3.87Å; F241-F266 AromaticContact CE1-CD2 3.51Å; F241-F266 HydrophobicContact CE1-CD2 3.51Å; F241-F266 HydrophobicContact CE1-CE1 4.16Å; F241-F266 AromaticContact CE1-CE2 3.85Å; F241-F266 HydrophobicContact CE1-CE2 3.85Å; F241-F266 AromaticContact CE1-CG 3.53Å; F241-F266 HydrophobicContact CE1-CG 3.53Å; F241-F266 HydrophobicContact CE1-CZ 4.15Å; F241-F266 AromaticContact CE2-CD1 3.59Å; F241-F266 HydrophobicContact CE2-CD1 3.59Å; F241-F266 AromaticContact CE2-CE1 3.57Å; F241-F266 HydrophobicContact CE2-CE1 3.57Å; F241-F266 HydrophobicContact CE2-CG 4.14Å; F241-F266 HydrophobicContact CE2-CZ 4.12Å; F241-F266 HydrophobicContact CG-CE1 4.46Å; F241-F266 HydrophobicContact CG-CE2 4.41Å; F241-F266 HydrophobicContact CG-CZ 4.2Å; F241-F266 HydrophobicContact CZ-CB 3.8Å; F241-F266 AromaticContact CZ-CD1 3.27Å; F241-F266 HydrophobicContact CZ-CD1 3.27Å; F241-F266 AromaticContact CZ-CD2 3.84Å; F241-F266 HydrophobicContact CZ-CD2 3.84Å; F241-F266 AromaticContact CZ-CE1 3.67Å; F241-F266 HydrophobicContact CZ-CE1 3.67Å; F241-F266 HydrophobicContact CZ-CE2 4.2Å; F241-F266 AromaticContact CZ-CG 3.35Å; F241-F266 HydrophobicContact CZ-CG 3.35Å; F241-F266 HydrophobicContact CZ-CZ 4.12Å; A244-F266 HydrophobicContact CB-CE2 4.48Å; L262-F266 HydrophobicContact CB-CD2 4.45Å; L262-F266 HydrophobicContact CD2-CD2 3.9Å; L262-F266 HydrophobicContact CD2-CE2 3.62Å; L262-F266 WeakPolarHBondContact O-CB 3.48Å; L262-F266 WeakPolarHBondContact O-CD2 3.33Å; L262-F266 PolarHBondContact O-N 3.13Å; F266-F284 HydrophobicContact CB-CE2 4.04Å; F266-F284 HydrophobicContact CB-CZ 4.2Å; F266-L333 HydrophobicContact CB-CD2 4.1Å; F266-L333 HydrophobicContact CD1-CD2 3.93Å; F266-L333 HydrophobicContact CG-CD2 4.46Å; F266-L336 HydrophobicContact CB-CD2 4.35Å; F266-L336 HydrophobicContact CD1-CD2 3.92Å; F266-L336 HydrophobicContact CG-CD2 4.5Å
267L90.3Very high82.2Confident12 Ų1253.9 Ų53.96%0.06328%0.284CS..Hα-helixtrans-121.111.5-174.9-49.8176.3000113S263 V269 H270 P282 F284 L329 H332S263-L267 WeakPolarHBondContact O-CA 3.07Å; S263-L267 WeakPolarHBondContact O-CB 3.28Å; S263-L267 PolarHBondContact O-N 2.97Å; L267-V269 PolarHBondContact O-N 3.26Å; L267-H270 PolarHBondContact O-NE2 2.96Å; L267-P282 HydrophobicContact CD1-CB 4.44Å; L267-P282 HydrophobicContact CD1-CG 4.04Å; L267-P282 WeakPolarHBondContact CD1-O 3.28Å; L267-P282 HydrophobicContact CD2-CG 3.71Å; L267-P282 HydrophobicContact CG-CG 4.49Å; L267-F284 HydrophobicContact CD1-CD2 4.09Å; L267-F284 HydrophobicContact CD1-CE2 3.67Å; L267-F284 HydrophobicContact CD1-CZ 4.09Å; L267-F284 HydrophobicContact CD2-CE2 4.23Å; L267-F284 HydrophobicContact CD2-CZ 4.04Å; L267-F284 HydrophobicContact CG-CE2 3.73Å; L267-F284 HydrophobicContact CG-CZ 4.06Å; L267-L329 HydrophobicContact CD2-CD1 3.72Å; L267-H332 HydrophobicContact CD2-CB 4Å
268S84.6Confident80.9Confident73 Ų7356 Ų5651%0.5130%0.302SS..SBendtrans-64.6-23.5177.842.70000114.2E264E264-S268 WeakPolarHBondContact O-CB 3.42Å; E264-S268 PolarHBondContact O-OG 3.15Å; E264-S268 VanDerWaalsContact O-OG 3.12Å
269V81.9Confident79.6Confident40 Ų4059.8 Ų59.824%0.24233%0.333CS..SBendtrans-99.1119178.1-1760000108.8L267 H332 H335 L336 A339L267-V269 PolarHBondContact O-N 3.26Å; V269-H332 PolarHBondContact O-CE1 2.95Å; V269-H332 PolarHBondContact O-ND1 3.33Å; V269-H335 HydrophobicContact CG1-CB 3.92Å; V269-L336 HydrophobicContact CG2-CD1 3.95Å; V269-A339 HydrophobicContact CG1-CB 4.14Å; V269-A339 HydrophobicContact CG2-CB 3.88Å
270H79.5Confident78.6Confident97 Ų9761.4 Ų61.445%0.44935%0.347SS..  trans-105.9140.6178.2-63.1-90.9000110.5L267 C281 H332L267-H270 PolarHBondContact O-NE2 2.96Å; H270-C281 PolarHBondContact ND1-SG 3.3Å; H270-H332 AromaticContact ND1-CE1 3.51Å
271F70.6Confident78Confident32 Ų3256.6 Ų56.614%0.1433%0.326CS..  trans-86.9160.5167.865.9-80.7000110.5D273 C274 G275 V328 D331 H332F271-D273 HydrophobicContact CD2-CB 4.08Å; F271-D273 HydrophobicContact CE2-CB 3.76Å; F271-D273 PolarHBondContact O-N 3.01Å; F271-C274 HydrophobicContact CD1-CB 3.88Å; F271-C274 HydrophobicContact CE1-CB 3.64Å; F271-C274 HydrophobicContact CE2-CB 4.46Å; F271-C274 HydrophobicContact CG-CB 4.38Å; F271-C274 HydrophobicContact CZ-CB 3.95Å; F271-C274 PolarHBondContact O-N 3.33Å; F271-G275 PolarHBondContact O-N 3.43Å; F271-G275 VanDerWaalsContact O-N 3.07Å; F271-V328 HydrophobicContact CE1-CG1 4.06Å; F271-V328 HydrophobicContact CZ-CG1 4.11Å; F271-D331 HydrophobicContact CD1-CB 4.48Å; F271-D331 HydrophobicContact CE1-CB 4.36Å; F271-H332 AromaticContact CE1-CD2 3.82Å; F271-H332 AromaticContact CE1-NE2 3.77Å
272E64.8Low77.7Confident135 Ų13557.3 Ų57.363%0.63133%0.331SS*.THydrogen-bonded Turntrans-53.7-33.5-167.4-69.2-172.116100115.2
273D62.9Low77.5Confident77 Ų7764.2 Ų64.241%0.41236%0.361SS..THydrogen-bonded Turntrans-79.6-33.6-180-55.5-31.3000111.9F271 K347F271-D273 HydrophobicContact CD2-CB 4.08Å; F271-D273 HydrophobicContact CE2-CB 3.76Å; F271-D273 PolarHBondContact O-N 3.01Å; D273-K347 VanDerWaalsContact CG-NZ 3.31Å; D273-K347 IonicContact OD1-NZ 3.24Å; D273-K347 PolarHBondContact OD1-NZ 3.25Å; D273-K347 IonicContact OD2-NZ 3.53Å; D273-K347 PolarHBondContact OD2-NZ 3.29Å
274C68.1Low77.5Confident0 Ų063.1 Ų63.10%035%0.352CS..G310 helixtrans-71.3-35.7175.6-145.70000111.9F271 K276 D277 C281 H332F271-C274 HydrophobicContact CD1-CB 3.88Å; F271-C274 HydrophobicContact CE1-CB 3.64Å; F271-C274 HydrophobicContact CE2-CB 4.46Å; F271-C274 HydrophobicContact CG-CB 4.38Å; F271-C274 HydrophobicContact CZ-CB 3.95Å; F271-C274 PolarHBondContact O-N 3.33Å; C274-K276 PolarHBondContact O-N 3.3Å; C274-K276 VanDerWaalsContact O-N 3.14Å; C274-D277 CarbonylContact O-C 3.55Å; C274-D277 PolarHBondContact O-N 3.13Å; C274-C281 WeakPolarHBondContact CB-SG 3.38Å; C274-C281 PolarHBondContact O-SG 3.47Å; C274-C281 WeakPolarHBondContact SG-CA 3.36Å; C274-C281 WeakPolarHBondContact SG-CB 3.27Å; C274-C281 CovalentContact SG-SG 2.06Å; C274-C281 PolarHBondContact SG-SG 2.58Å; C274-H332 PolarHBondContact SG-NE2 3.18Å
275G60.9Low77.6Confident54 Ų5464.3 Ų64.356%0.55736%0.357SS*.G310 helixtrans-63.2-18.7-179.700000114.1F271F271-G275 PolarHBondContact O-N 3.43Å; F271-G275 VanDerWaalsContact O-N 3.07Å
276K63.7Low77.6Confident169 Ų16965.3 Ų65.374%0.73536%0.362SS*.G310 helixtrans-89.3-26178.5-65.8173.9-172.7167.90113.2C274C274-K276 PolarHBondContact O-N 3.3Å; C274-K276 VanDerWaalsContact O-N 3.14Å
277D65.1Low77.7Confident85 Ų8567.7 Ų67.746%0.45538%0.377SS..  trans-134.996.3178.5-177.710.1000111.3C274 A279 S280C274-D277 CarbonylContact O-C 3.55Å; C274-D277 PolarHBondContact O-N 3.13Å; D277-A279 PolarHBondContact O-N 2.79Å; D277-A279 VanDerWaalsContact O-N 3.12Å; D277-A279 VanDerWaalsContact OD1-CB 3.28Å; D277-A279 WeakPolarHBondContact OD1-CB 3.42Å; D277-A279 PolarHBondContact OD1-N 3.01Å; D277-S280 WeakPolarHBondContact O-CB 3.13Å; D277-S280 PolarHBondContact O-N 3.19Å; D277-S280 PolarHBondContact O-OG 3.16Å
278T64.7Low77.9Confident113 Ų11368 Ų6869%0.69338%0.379SS*.THydrogen-bonded Turntrans-62.3-17.2178.254.70000113.9S280T278-S280 VanDerWaalsContact C-N 3.31Å
279A68.3Low78.5Confident80 Ų8064.7 Ų64.766%0.66136%0.355SS*.THydrogen-bonded Turntrans-74.5-24174.600000112.5D277D277-A279 PolarHBondContact O-N 2.79Å; D277-A279 VanDerWaalsContact O-N 3.12Å; D277-A279 VanDerWaalsContact OD1-CB 3.28Å; D277-A279 WeakPolarHBondContact OD1-CB 3.42Å; D277-A279 PolarHBondContact OD1-N 3.01Å
280S73.2Confident79.1Confident56 Ų5663.2 Ų63.239%0.39235%0.346SS..THydrogen-bonded Turntrans-79.7-18.4179.174.60000113.6D277 T278D277-S280 WeakPolarHBondContact O-CB 3.13Å; D277-S280 PolarHBondContact O-N 3.19Å; D277-S280 PolarHBondContact O-OG 3.16Å; T278-S280 VanDerWaalsContact C-N 3.31Å
281C81.4Confident79.7Confident17 Ų1761.7 Ų61.712%0.11535%0.346CS..SBendtrans-73138.5-177.7-61.80000111.3H270 C274H270-C281 PolarHBondContact ND1-SG 3.3Å; C274-C281 WeakPolarHBondContact CB-SG 3.38Å; C274-C281 PolarHBondContact O-SG 3.47Å; C274-C281 WeakPolarHBondContact SG-CA 3.36Å; C274-C281 WeakPolarHBondContact SG-CB 3.27Å; C274-C281 CovalentContact SG-SG 2.06Å; C274-C281 PolarHBondContact SG-SG 2.58Å
282P86.6Confident80.7Confident20 Ų2067.9 Ų67.913%0.1337%0.373CS..  trans-62.4153.7-175.526.3-32.9000110.5L267 L329 H332L267-P282 HydrophobicContact CD1-CB 4.44Å; L267-P282 HydrophobicContact CD1-CG 4.04Å; L267-P282 WeakPolarHBondContact CD1-O 3.28Å; L267-P282 HydrophobicContact CD2-CG 3.71Å; L267-P282 HydrophobicContact CG-CG 4.49Å; P282-L329 HydrophobicContact CB-CB 4.45Å; P282-L329 HydrophobicContact CB-CD1 4.37Å; P282-L329 HydrophobicContact CG-CD1 4.14Å; P282-H332 VanDerWaalsContact CD-CD2 3.42Å; P282-H332 WeakPolarHBondContact CD-CD2 3.42Å; P282-H332 WeakPolarHBondContact CD-NE2 3.28Å
283K89.8Confident81.9Confident146 Ų14664.6 Ų64.664%0.63537%0.369SS*.  trans-134.2134.7175.4-65.4-178.7-176.4176.20108.4
284F94.3Very high83.3Confident12 Ų1265.6 Ų65.65%0.05337%0.368CS..  trans-80.5132175.6-62.9-56.2000111.2F241 L259 L262 F266 L267 F289 F319 L329F241-F284 AromaticContact CE1-CE1 3.94Å; F241-F284 HydrophobicContact CE1-CE1 3.94Å; F241-F284 HydrophobicContact CE1-CE2 4.07Å; F241-F284 AromaticContact CE1-CZ 3.51Å; F241-F284 HydrophobicContact CE1-CZ 3.51Å; F241-F284 HydrophobicContact CZ-CE1 4.46Å; F241-F284 AromaticContact CZ-CZ 3.93Å; F241-F284 HydrophobicContact CZ-CZ 3.93Å; L259-F284 HydrophobicContact CD2-CB 3.84Å; L262-F284 HydrophobicContact CB-CD2 3.89Å; L262-F284 HydrophobicContact CB-CE2 4.28Å; F266-F284 HydrophobicContact CB-CE2 4.04Å; F266-F284 HydrophobicContact CB-CZ 4.2Å; L267-F284 HydrophobicContact CD1-CD2 4.09Å; L267-F284 HydrophobicContact CD1-CE2 3.67Å; L267-F284 HydrophobicContact CD1-CZ 4.09Å; L267-F284 HydrophobicContact CD2-CE2 4.23Å; L267-F284 HydrophobicContact CD2-CZ 4.04Å; L267-F284 HydrophobicContact CG-CE2 3.73Å; L267-F284 HydrophobicContact CG-CZ 4.06Å; F284-F289 HydrophobicContact CB-CE2 4.04Å; F284-F289 HydrophobicContact CB-CZ 4.43Å; F284-F289 HydrophobicContact CD1-CE2 4.31Å; F284-F289 AromaticContact CD1-CZ 3.93Å; F284-F289 HydrophobicContact CD1-CZ 3.93Å; F284-F289 HydrophobicContact CE1-CZ 4.49Å; F284-F289 HydrophobicContact CG-CE2 4.31Å; F284-F289 HydrophobicContact CG-CZ 4.2Å; F284-F319 HydrophobicContact CD1-CE2 4.37Å; F284-F319 HydrophobicContact CE1-CE2 4.01Å; F284-F319 HydrophobicContact CE1-CZ 4.33Å; F284-L329 HydrophobicContact CE1-CD1 4.08Å; F284-L329 HydrophobicContact CE1-CD2 4.21Å; F284-L329 HydrophobicContact CZ-CD1 4.04Å
285Q93.4Very high84.3Confident117 Ų11766.1 Ų66.155%0.54737%0.373SS..  trans-115.9159.1174.5-57.3-172.54.300110T287 D288Q285-T287 PolarHBondContact O-N 3.5Å; Q285-D288 PolarHBondContact N-OD2 3.17Å; Q285-D288 WeakPolarHBondContact O-CB 3.46Å; Q285-D288 PolarHBondContact O-N 2.94Å
286I93.6Very high85.6Confident35 Ų3572.3 Ų72.318%0.17939%0.385CS..G310 helixtrans-54.7-43.3176.9-60.4170.6000110.5H255 L259 D288 F289 V290 L298 F304H255-I286 WeakPolarHBondContact CD2-CD1 3.48Å; H255-I286 WeakPolarHBondContact NE2-CD1 3.32Å; L259-I286 HydrophobicContact CD1-CG1 3.66Å; I286-D288 PolarHBondContact O-N 2.83Å; I286-D288 VanDerWaalsContact O-N 3.13Å; I286-F289 PolarHBondContact O-N 3.41Å; I286-V290 HydrophobicContact CG2-CG2 3.42Å; I286-V290 VanDerWaalsContact CG2-CG2 3.42Å; I286-V290 VanDerWaalsContact O-CG2 3.27Å; I286-V290 WeakPolarHBondContact O-CG2 3.32Å; I286-V290 PolarHBondContact O-N 2.82Å; I286-V290 VanDerWaalsContact O-N 3.13Å; I286-L298 HydrophobicContact CG2-CD2 4.41Å; I286-F304 HydrophobicContact CG2-CE1 4.26Å
287T94.1Very high86.8Confident52 Ų5271 Ų7132%0.31939%0.386SS..G310 helixtrans-68.5-9.5-176.949.50000114.5Q285 F289 V290 K292 P318Q285-T287 PolarHBondContact O-N 3.5Å; T287-F289 VanDerWaalsContact C-N 3.28Å; T287-V290 CarbonylContact C-O 3.57Å; T287-V290 WeakPolarHBondContact CA-O 3.49Å; T287-K292 HydrophobicContact CG2-CG 4.23Å; T287-P318 WeakPolarHBondContact O-CB 3.49Å
288D95Very high87.8Confident18 Ų1867.9 Ų67.910%0.09637%0.369CS..G310 helixtrans-75.9-21.5172.9-57-29000111.3Q285 I286 P318 F319 H322Q285-D288 PolarHBondContact N-OD2 3.17Å; Q285-D288 WeakPolarHBondContact O-CB 3.46Å; Q285-D288 PolarHBondContact O-N 2.94Å; I286-D288 PolarHBondContact O-N 2.83Å; I286-D288 VanDerWaalsContact O-N 3.13Å; D288-P318 CarbonylContact O-C 3.56Å; D288-P318 VanDerWaalsContact O-C 3.28Å; D288-F319 HydrophobicContact CB-CD2 4.32Å; D288-F319 WeakPolarHBondContact O-CA 3.35Å; D288-F319 WeakPolarHBondContact O-CB 3.25Å; D288-F319 PolarHBondContact O-N 2.92Å; D288-H322 IonicContact OD1-CE1 2.89Å; D288-H322 IonicContact OD1-CG 3.43Å; D288-H322 IonicContact OD1-ND1 3.36Å
289F95.9Very high88.9Confident3 Ų365.5 Ų65.51%0.01336%0.357CS..THydrogen-bonded Turntrans-116.1-20.4-177.2-55.8-72.1000114F241 Y242 L245 L259 L262 F284 I286 T287 F304 F319F241-F289 HydrophobicContact CB-CE1 4.36Å; F241-F289 AromaticContact CD1-CE1 3.98Å; F241-F289 HydrophobicContact CD1-CE1 3.98Å; F241-F289 HydrophobicContact CD1-CZ 4.14Å; Y242-F289 HydrophobicContact CE1-CB 4.42Å; Y242-F289 PolarHBondContact OH-O 3.31Å; L245-F289 HydrophobicContact CD1-CB 3.93Å; L245-F289 HydrophobicContact CD1-CD1 3.67Å; L245-F289 HydrophobicContact CD1-CD2 4.47Å; L245-F289 HydrophobicContact CD1-CE1 4.3Å; L245-F289 HydrophobicContact CD1-CG 3.77Å; L259-F289 HydrophobicContact CD2-CD2 4.06Å; L259-F289 HydrophobicContact CD2-CE2 3.77Å; L262-F289 HydrophobicContact CD1-CE2 3.88Å; L262-F289 HydrophobicContact CD1-CZ 3.77Å; F284-F289 HydrophobicContact CB-CE2 4.04Å; F284-F289 HydrophobicContact CB-CZ 4.43Å; F284-F289 HydrophobicContact CD1-CE2 4.31Å; F284-F289 AromaticContact CD1-CZ 3.93Å; F284-F289 HydrophobicContact CD1-CZ 3.93Å; F284-F289 HydrophobicContact CE1-CZ 4.49Å; F284-F289 HydrophobicContact CG-CE2 4.31Å; F284-F289 HydrophobicContact CG-CZ 4.2Å; I286-F289 PolarHBondContact O-N 3.41Å; T287-F289 VanDerWaalsContact C-N 3.28Å; F289-F304 HydrophobicContact CB-CE1 4.18Å; F289-F304 HydrophobicContact CD2-CE1 4.49Å; F289-F304 HydrophobicContact CD2-CZ 4.27Å; F289-F319 HydrophobicContact CD1-CB 4.26Å; F289-F319 AromaticContact CD1-CD2 3.9Å; F289-F319 HydrophobicContact CD1-CD2 3.9Å; F289-F319 HydrophobicContact CD1-CE2 4.46Å; F289-F319 HydrophobicContact CD1-CG 4.06Å; F289-F319 HydrophobicContact CE1-CD1 4.33Å; F289-F319 AromaticContact CE1-CD2 3.45Å; F289-F319 HydrophobicContact CE1-CD2 3.45Å; F289-F319 VanDerWaalsContact CE1-CD2 3.45Å; F289-F319 HydrophobicContact CE1-CE1 4.41Å; F289-F319 AromaticContact CE1-CE2 3.57Å; F289-F319 HydrophobicContact CE1-CE2 3.57Å; F289-F319 AromaticContact CE1-CG 3.87Å; F289-F319 HydrophobicContact CE1-CG 3.87Å; F289-F319 HydrophobicContact CE1-CZ 4.07Å; F289-F319 HydrophobicContact CZ-CD2 4.1Å; F289-F319 AromaticContact CZ-CE2 3.92Å; F289-F319 HydrophobicContact CZ-CE2 3.92Å
290V94.4Very high89.4Confident10 Ų1069 Ų696%0.06136%0.36CS..SBendtrans-132.2161.5179.3-61.90000111.3I286 T287 Y294 F304 P305 F307I286-V290 HydrophobicContact CG2-CG2 3.42Å; I286-V290 VanDerWaalsContact CG2-CG2 3.42Å; I286-V290 VanDerWaalsContact O-CG2 3.27Å; I286-V290 WeakPolarHBondContact O-CG2 3.32Å; I286-V290 PolarHBondContact O-N 2.82Å; I286-V290 VanDerWaalsContact O-N 3.13Å; T287-V290 CarbonylContact C-O 3.57Å; T287-V290 WeakPolarHBondContact CA-O 3.49Å; V290-Y294 HydrophobicContact CB-CD1 3.92Å; V290-Y294 HydrophobicContact CB-CG 4.46Å; V290-Y294 HydrophobicContact CG1-CD1 4.09Å; V290-Y294 HydrophobicContact CG1-CE1 4.4Å; V290-Y294 HydrophobicContact CG2-CD1 3.86Å; V290-F304 HydrophobicContact CG1-CD1 4.12Å; V290-F304 HydrophobicContact CG1-CE1 4.37Å; V290-P305 HydrophobicContact CG1-CG 4.16Å; V290-F307 HydrophobicContact CG1-CE1 4.04Å; V290-F307 HydrophobicContact CG1-CZ 3.88Å
291S92.9Very high89.9Confident64 Ų6474.5 Ų74.545%0.44838%0.379SS..  trans-59.3150.1177.574.20000111.9A293 Y294 G295S291-A293 PolarHBondContact O-N 2.73Å; S291-Y294 PolarHBondContact O-N 3.49Å; S291-Y294 WeakPolarHBondContact OG-CB 3.18Å; S291-Y294 PolarHBondContact OG-N 3.43Å; S291-G295 PolarHBondContact O-N 2.9Å
292K90.9Very high90.4Very high162 Ų16281.5 Ų81.570%0.70440%0.403SS*.Hα-helixtrans-54.6-37.1176.3-66.3-177.8-179.7178.60112.6T287 K296T287-K292 HydrophobicContact CG2-CG 4.23Å; K292-K296 WeakPolarHBondContact O-CG 3.33Å; K292-K296 PolarHBondContact O-N 3.21Å
293A91.1Very high90.8Very high67 Ų6782 Ų8255%0.55441%0.406SS*.Hα-helixtrans-67-42177.600000111.9S291 N297S291-A293 PolarHBondContact O-N 2.73Å; A293-N297 PolarHBondContact O-ND2 2.64Å
294Y91.1Very high91.1Very high98 Ų9875.1 Ų75.138%0.38438%0.376SS..Hα-helixtrans-69.2-46.4177.3-171.6-84.9000111.5V290 S291 K296 N297 L298 P305V290-Y294 HydrophobicContact CB-CD1 3.92Å; V290-Y294 HydrophobicContact CB-CG 4.46Å; V290-Y294 HydrophobicContact CG1-CD1 4.09Å; V290-Y294 HydrophobicContact CG1-CE1 4.4Å; V290-Y294 HydrophobicContact CG2-CD1 3.86Å; S291-Y294 PolarHBondContact O-N 3.49Å; S291-Y294 WeakPolarHBondContact OG-CB 3.18Å; S291-Y294 PolarHBondContact OG-N 3.43Å; Y294-K296 VanDerWaalsContact C-N 3.29Å; Y294-K296 PolarHBondContact O-N 3.29Å; Y294-N297 PolarHBondContact O-N 2.89Å; Y294-L298 HydrophobicContact CE1-CB 4.37Å; Y294-L298 HydrophobicContact CE1-CD1 3.93Å; Y294-L298 HydrophobicContact CE1-CD2 4.12Å; Y294-L298 HydrophobicContact CE1-CG 4.37Å; Y294-L298 PolarHBondContact O-N 3.48Å; Y294-P305 HydrophobicContact CE1-CG 4.15Å
295G89.7Confident91.1Very high11 Ų1176.2 Ų76.211%0.11339%0.385CS..Hα-helixtrans-58.7-37.1-178.200000113.7S291 N297 L298S291-G295 PolarHBondContact O-N 2.9Å; G295-N297 VanDerWaalsContact C-N 3.26Å; G295-N297 PolarHBondContact O-N 2.68Å; G295-L298 PolarHBondContact O-N 3.41Å
296K89.1Confident91.3Very high184 Ų18474 Ų7480%0.837%0.371SS*.Hα-helixtrans-65.7-26.2175.5-75-179.5179.5-171.80114K292 Y294K292-K296 WeakPolarHBondContact O-CG 3.33Å; K292-K296 PolarHBondContact O-N 3.21Å; Y294-K296 VanDerWaalsContact C-N 3.29Å; Y294-K296 PolarHBondContact O-N 3.29Å
297N88.5Confident91.5Very high142 Ų14273.5 Ų73.576%0.75937%0.368SS*.Hα-helixtrans-99.1-4.1-176.5-68.9-54.3000112.9A293 Y294 G295 S299A293-N297 PolarHBondContact O-ND2 2.64Å; Y294-N297 PolarHBondContact O-N 2.89Å; G295-N297 VanDerWaalsContact C-N 3.26Å; G295-N297 PolarHBondContact O-N 2.68Å; N297-S299 PolarHBondContact O-N 3.18Å
298L86.9Confident91.7Very high19 Ų1973 Ų7310%0.09936%0.363CS..  trans-85.7112.3-179.3-169.266.5000109.9H255 I286 Y294 G295 R302H255-L298 HydrophobicContact CB-CD2 4.12Å; H255-L298 WeakPolarHBondContact ND1-CD2 3.49Å; I286-L298 HydrophobicContact CG2-CD2 4.41Å; Y294-L298 HydrophobicContact CE1-CB 4.37Å; Y294-L298 HydrophobicContact CE1-CD1 3.93Å; Y294-L298 HydrophobicContact CE1-CD2 4.12Å; Y294-L298 HydrophobicContact CE1-CG 4.37Å; Y294-L298 PolarHBondContact O-N 3.48Å; G295-L298 PolarHBondContact O-N 3.41Å; L298-R302 HydrophobicContact CD1-CB 3.74Å; L298-R302 HydrophobicContact CG-CB 4.43Å
299S86.1Confident91.8Very high62 Ų6272.1 Ų72.143%0.43436%0.358SS..  trans-68.3146.7176.163.70000111.6H255 N297 E301 R302H255-S299 VanDerWaalsContact CE1-C 3.46Å; H255-S299 PolarHBondContact CE1-O 3.39Å; H255-S299 PolarHBondContact ND1-O 2.92Å; N297-S299 PolarHBondContact O-N 3.18Å; S299-E301 PolarHBondContact O-N 3.28Å; S299-R302 PolarHBondContact O-N 2.82Å; S299-R302 WeakPolarHBondContact OG-CG 2.7Å
300Q78.4Confident91.9Very high153 Ų15372.1 Ų72.172%0.71536%0.359SS*.THydrogen-bonded Turntrans-52.4-32.8-171.6-73.8-172.7-9.200114.7H255H255-Q300 WeakPolarHBondContact CE1-CA 3.28Å
301E84.6Confident92Very high172 Ų17273.2 Ų73.280%0.80437%0.369SS*.THydrogen-bonded Turntrans-83.5-13.2-178-62.5-178.4168.500113.8S299S299-E301 PolarHBondContact O-N 3.28Å
302R92.6Very high92.2Very high165 Ų16570.6 Ų70.662%0.62335%0.35SS*.SBendtrans-81143.6-177.6-78.5-168.7-176.8-158.23.6112H255 L298 S299H255-R302 PolarHBondContact N-O 3.1Å; H255-R302 PolarHBondContact ND1-O 3.01Å; L298-R302 HydrophobicContact CD1-CB 3.74Å; L298-R302 HydrophobicContact CG-CB 4.43Å; S299-R302 PolarHBondContact O-N 2.82Å; S299-R302 WeakPolarHBondContact OG-CG 2.7Å
303P94.5Very high92.5Very high29 Ų2963.5 Ų63.519%0.18832%0.32CS..PPolyproline II helixtrans-68.3165.1172.332-37.4000111.4T249 M253T249-P303 HydrophobicContact CG2-CB 4.47Å; M253-P303 VanDerWaalsContact O-CA 3.24Å; M253-P303 WeakPolarHBondContact O-CA 3.44Å; M253-P303 WeakPolarHBondContact O-CB 3.43Å
304F95.6Very high92.7Very high3 Ų364.5 Ų64.51%0.01332%0.315CS..PPolyproline II helixtrans-59.6155.9163.7-80.7-79.1000110.7L245 T249 H255 V258 L259 I286 F289 V290 F307L245-F304 HydrophobicContact CD2-CD2 3.73Å; L245-F304 HydrophobicContact CD2-CE2 3.88Å; L245-F304 HydrophobicContact CD2-CG 4.17Å; L245-F304 HydrophobicContact CD2-CZ 4.48Å; T249-F304 WeakPolarHBondContact CG2-O 3.31Å; T249-F304 PolarHBondContact OG1-O 2.82Å; H255-F304 HydrophobicContact CB-CD2 3.67Å; H255-F304 HydrophobicContact CB-CE2 3.53Å; H255-F304 HydrophobicContact CB-CG 4.28Å; H255-F304 HydrophobicContact CB-CZ 4.01Å; V258-F304 HydrophobicContact CB-CD2 4.01Å; V258-F304 HydrophobicContact CB-CE2 3.91Å; V258-F304 HydrophobicContact CG1-CD2 3.87Å; V258-F304 HydrophobicContact CG1-CE2 3.85Å; V258-F304 HydrophobicContact CG2-CD2 4.31Å; L259-F304 HydrophobicContact CD2-CE2 4.35Å; L259-F304 HydrophobicContact CD2-CZ 3.98Å; L259-F304 HydrophobicContact CG-CE2 4.3Å; L259-F304 HydrophobicContact CG-CZ 4.18Å; I286-F304 HydrophobicContact CG2-CE1 4.26Å; F289-F304 HydrophobicContact CB-CE1 4.18Å; F289-F304 HydrophobicContact CD2-CE1 4.49Å; F289-F304 HydrophobicContact CD2-CZ 4.27Å; V290-F304 HydrophobicContact CG1-CD1 4.12Å; V290-F304 HydrophobicContact CG1-CE1 4.37Å; F304-F307 HydrophobicContact CB-CE2 3.95Å; F304-F307 HydrophobicContact CB-CZ 4.35Å; F304-F307 HydrophobicContact CD1-CE2 4.46Å; F304-F307 HydrophobicContact CD1-CZ 4.18Å; F304-F307 HydrophobicContact CG-CE2 4.48Å
305P95.4Very high92.9Very high35 Ų3566.6 Ų66.623%0.22733%0.326CS..PPolyproline II helixtrans-66.4158.9170.730.2-33.9000110.4V290 Y294 F307V290-P305 HydrophobicContact CG1-CG 4.16Å; Y294-P305 HydrophobicContact CE1-CG 4.15Å; P305-F307 HydrophobicContact CG-CE1 3.87Å; P305-F307 HydrophobicContact CG-CE2 4.33Å; P305-F307 HydrophobicContact CG-CZ 3.74Å; P305-F307 WeakPolarHBondContact O-CD2 3.34Å; P305-F307 WeakPolarHBondContact O-CE2 3.39Å; P305-F307 PolarHBondContact O-N 3.15Å
306W96.6Very high93.2Very high70 Ų7072 Ų7227%0.26535%0.348SS..PPolyproline II helixtrans-69.7129.6168.2-177.5-92.4000110.3K162 T185 N186 N246 A250K162-W306 HydrophobicContact CG-CH2 4.41Å; K162-W306 HydrophobicContact CG-CZ2 4.13Å; K162-W306 WeakPolarHBondContact O-CH2 3.33Å; K162-W306 VanDerWaalsContact O-CZ2 3.29Å; K162-W306 WeakPolarHBondContact O-CZ2 3.24Å; T185-W306 PolarHBondContact OG1-NE1 3.12Å; N186-W306 HydrophobicContact CB-CZ2 4.17Å; N246-W306 HydrophobicContact CB-CE3 4.1Å; N246-W306 HydrophobicContact CB-CH2 3.94Å; N246-W306 HydrophobicContact CB-CZ2 4.49Å; N246-W306 HydrophobicContact CB-CZ3 3.73Å; N246-W306 WeakPolarHBondContact O-CZ3 3.45Å; A250-W306 HydrophobicContact CB-CZ3 4.45Å
307F97.5Very high93.5Very high25 Ų2564 Ų6411%0.1132%0.315CS..PPolyproline II helixtrans-102.5134.9-178.7-59-83.9000111.7Y242 L245 N246 V290 F304 P305 L309 V312Y242-F307 HydrophobicContact CD1-CB 3.87Å; Y242-F307 AromaticContact CD1-CD1 3.57Å; Y242-F307 HydrophobicContact CD1-CD1 3.57Å; Y242-F307 AromaticContact CD1-CD2 3.7Å; Y242-F307 HydrophobicContact CD1-CD2 3.7Å; Y242-F307 AromaticContact CD1-CE1 3.93Å; Y242-F307 HydrophobicContact CD1-CE1 3.93Å; Y242-F307 HydrophobicContact CD1-CE2 4.04Å; Y242-F307 AromaticContact CD1-CG 3.44Å; Y242-F307 HydrophobicContact CD1-CG 3.44Å; Y242-F307 VanDerWaalsContact CD1-CG 3.44Å; Y242-F307 HydrophobicContact CD1-CZ 4.14Å; Y242-F307 AromaticContact CE1-CD1 3.56Å; Y242-F307 HydrophobicContact CE1-CD1 3.56Å; Y242-F307 HydrophobicContact CE1-CD2 4.33Å; Y242-F307 AromaticContact CE1-CE1 3.57Å; Y242-F307 HydrophobicContact CE1-CE1 3.57Å; Y242-F307 HydrophobicContact CE1-CE2 4.32Å; Y242-F307 AromaticContact CE1-CG 3.95Å; Y242-F307 HydrophobicContact CE1-CG 3.95Å; Y242-F307 AromaticContact CE1-CZ 3.96Å; Y242-F307 HydrophobicContact CE1-CZ 3.96Å; L245-F307 HydrophobicContact CB-CD2 4.11Å; L245-F307 HydrophobicContact CB-CE2 3.94Å; L245-F307 HydrophobicContact CD1-CD2 4.34Å; L245-F307 HydrophobicContact CD1-CE2 3.73Å; L245-F307 HydrophobicContact CD1-CZ 4.22Å; L245-F307 HydrophobicContact CG-CE2 4.43Å; N246-F307 PolarHBondContact ND2-O 2.64Å; N246-F307 PolarHBondContact OD1-N 2.96Å; V290-F307 HydrophobicContact CG1-CE1 4.04Å; V290-F307 HydrophobicContact CG1-CZ 3.88Å; F304-F307 HydrophobicContact CB-CE2 3.95Å; F304-F307 HydrophobicContact CB-CZ 4.35Å; F304-F307 HydrophobicContact CD1-CE2 4.46Å; F304-F307 HydrophobicContact CD1-CZ 4.18Å; F304-F307 HydrophobicContact CG-CE2 4.48Å; P305-F307 HydrophobicContact CG-CE1 3.87Å; P305-F307 HydrophobicContact CG-CE2 4.33Å; P305-F307 HydrophobicContact CG-CZ 3.74Å; P305-F307 WeakPolarHBondContact O-CD2 3.34Å; P305-F307 WeakPolarHBondContact O-CE2 3.39Å; P305-F307 PolarHBondContact O-N 3.15Å; F307-L309 PolarHBondContact O-N 2.9Å; F307-V312 HydrophobicContact CB-CG2 4.46Å
308D97.9Very high93.8Very high40 Ų4059.3 Ų59.321%0.21429%0.292CS..  trans-77.7102.3168.4-178.9-9.4000109.5K179 T185 T310 A311 V312K179-D308 IonicContact NZ-OD2 2.61Å; K179-D308 PolarHBondContact NZ-OD2 2.88Å; T185-D308 HydrophobicContact CG2-CB 4.43Å; D308-T310 PolarHBondContact O-N 2.92Å; D308-T310 WeakPolarHBondContact OD1-CB 3.42Å; D308-T310 PolarHBondContact OD1-N 3.47Å; D308-T310 PolarHBondContact OD1-OG1 3.33Å; D308-T310 PolarHBondContact OD2-OG1 3.02Å; D308-A311 HydrophobicContact CB-CB 4Å; D308-A311 WeakPolarHBondContact O-CB 3.46Å; D308-A311 PolarHBondContact O-N 3.44Å; D308-A311 PolarHBondContact OD1-N 3.22Å; D308-V312 WeakPolarHBondContact O-CG2 3.31Å; D308-V312 PolarHBondContact O-N 2.97Å
309L97.9Very high94.2Very high0 Ų058.4 Ų58.40%029%0.288CS..Hα-helixtrans-61.2-27-178.1-62.8-168.1000112.5T185 N186 A243 F307 A311 V312 Q313T185-L309 WeakPolarHBondContact O-CB 3.33Å; T185-L309 PolarHBondContact O-N 3.26Å; T185-L309 VanDerWaalsContact O-N 3.08Å; N186-L309 WeakPolarHBondContact OD1-CD1 3.39Å; N186-L309 WeakPolarHBondContact OD1-CG 3.26Å; A243-L309 HydrophobicContact CB-CD1 3.88Å; F307-L309 PolarHBondContact O-N 2.9Å; L309-A311 VanDerWaalsContact C-N 3.35Å; L309-V312 PolarHBondContact O-N 2.82Å; L309-Q313 WeakPolarHBondContact O-CG 3.4Å; L309-Q313 PolarHBondContact O-N 3.11Å; L309-Q313 VanDerWaalsContact O-N 3.14Å; L309-Q313 PolarHBondContact O-NE2 3.4Å
310T97.3Very high94.6Very high4 Ų455.5 Ų55.53%0.02527%0.267CS..Hα-helixtrans-68.6-38.4175.473.20000111L175 K179 I187 D308 L314L175-T310 HydrophobicContact CD2-CG2 4.42Å; K179-T310 HydrophobicContact CB-CG2 4.13Å; K179-T310 HydrophobicContact CD-CG2 4.48Å; K179-T310 WeakPolarHBondContact CD-OG1 3.41Å; K179-T310 HydrophobicContact CG-CG2 4.35Å; I187-T310 HydrophobicContact CB-CG2 3.99Å; I187-T310 HydrophobicContact CD1-CG2 4.18Å; I187-T310 HydrophobicContact CG1-CG2 4.39Å; D308-T310 PolarHBondContact O-N 2.92Å; D308-T310 WeakPolarHBondContact OD1-CB 3.42Å; D308-T310 PolarHBondContact OD1-N 3.47Å; D308-T310 PolarHBondContact OD1-OG1 3.33Å; D308-T310 PolarHBondContact OD2-OG1 3.02Å; T310-L314 WeakPolarHBondContact O-CB 3.38Å; T310-L314 VanDerWaalsContact O-CD1 3.31Å; T310-L314 WeakPolarHBondContact O-CD1 3.23Å; T310-L314 WeakPolarHBondContact O-CG 3.39Å; T310-L314 PolarHBondContact O-N 3.22Å
311A97.2Very high95.3Very high32 Ų3254.3 Ų54.326%0.26426%0.262SS..Hα-helixtrans-70-40.1176.100000111.5D308 L309 Q313 L314 K315D308-A311 HydrophobicContact CB-CB 4Å; D308-A311 WeakPolarHBondContact O-CB 3.46Å; D308-A311 PolarHBondContact O-N 3.44Å; D308-A311 PolarHBondContact OD1-N 3.22Å; L309-A311 VanDerWaalsContact C-N 3.35Å; A311-Q313 VanDerWaalsContact C-N 3.29Å; A311-Q313 PolarHBondContact O-N 3.12Å; A311-L314 PolarHBondContact O-N 3.18Å; A311-L314 VanDerWaalsContact O-N 3.13Å; A311-K315 WeakPolarHBondContact O-CB 3.3Å; A311-K315 PolarHBondContact O-N 2.69Å
312V97.3Very high95.7Very high9 Ų947.9 Ų47.96%0.05523%0.232CC..Hα-helixtrans-55.2-44.4175.2168.70000111.3E238 Y242 F307 D308 L309 L314 T317E238-V312 HydrophobicContact CB-CG1 4.17Å; Y242-V312 HydrophobicContact CD1-CG2 3.96Å; Y242-V312 HydrophobicContact CD2-CB 4.34Å; Y242-V312 HydrophobicContact CD2-CG1 3.38Å; Y242-V312 HydrophobicContact CD2-CG2 3.97Å; Y242-V312 HydrophobicContact CE1-CG2 4.34Å; Y242-V312 HydrophobicContact CE2-CG1 3.86Å; Y242-V312 HydrophobicContact CE2-CG2 4.35Å; Y242-V312 HydrophobicContact CG-CB 4.49Å; Y242-V312 HydrophobicContact CG-CG1 3.92Å; Y242-V312 HydrophobicContact CG-CG2 3.76Å; F307-V312 HydrophobicContact CB-CG2 4.46Å; D308-V312 WeakPolarHBondContact O-CG2 3.31Å; D308-V312 PolarHBondContact O-N 2.97Å; L309-V312 PolarHBondContact O-N 2.82Å; V312-L314 VanDerWaalsContact C-N 3.31Å; V312-L314 PolarHBondContact O-N 3.47Å; V312-T317 HydrophobicContact CB-CG2 4.49Å; V312-T317 HydrophobicContact CG1-CG2 4.3Å
313Q96.9Very high95.7Very high14 Ų1440.2 Ų40.27%0.06520%0.203CC..Hα-helixtrans-76-16.9-179.2-73.6165.896.400114.2L175 I187 R189 L309 A311L175-Q313 HydrophobicContact CD1-CB 3.55Å; L175-Q313 HydrophobicContact CD1-CG 4.29Å; I187-Q313 PolarHBondContact O-NE2 2.92Å; R189-Q313 PolarHBondContact O-OE1 2.87Å; L309-Q313 WeakPolarHBondContact O-CG 3.4Å; L309-Q313 PolarHBondContact O-N 3.11Å; L309-Q313 VanDerWaalsContact O-N 3.14Å; L309-Q313 PolarHBondContact O-NE2 3.4Å; A311-Q313 VanDerWaalsContact C-N 3.29Å; A311-Q313 PolarHBondContact O-N 3.12Å
314L96.1Very high95.6Very high87 Ų8743 Ų4346%0.45522%0.223SC..Hα-helixtrans-105.1-17.5-174.4-69.3172.4000113.7L175 P176 T310 A311 V312L175-L314 HydrophobicContact CB-CD1 4.24Å; L175-L314 HydrophobicContact CB-CD2 4.37Å; L175-L314 HydrophobicContact CB-CG 4.44Å; L175-L314 HydrophobicContact CD1-CD2 4.36Å; L175-L314 HydrophobicContact CD1-CG 4.33Å; P176-L314 HydrophobicContact CG-CD1 3.73Å; T310-L314 WeakPolarHBondContact O-CB 3.38Å; T310-L314 VanDerWaalsContact O-CD1 3.31Å; T310-L314 WeakPolarHBondContact O-CD1 3.23Å; T310-L314 WeakPolarHBondContact O-CG 3.39Å; T310-L314 PolarHBondContact O-N 3.22Å; A311-L314 PolarHBondContact O-N 3.18Å; A311-L314 VanDerWaalsContact O-N 3.13Å; V312-L314 VanDerWaalsContact C-N 3.31Å; V312-L314 PolarHBondContact O-N 3.47Å
315K95.5Very high95.4Very high143 Ų14347.1 Ų47.162%0.62225%0.252SS*.SBendtrans-126.5161.4-173.7-60.3-174.5-179.2-177.60111K235 A311K235-K315 PolarHBondContact NZ-O 3.26Å; A311-K315 WeakPolarHBondContact O-CB 3.3Å; A311-K315 PolarHBondContact O-N 2.69Å
316E95.1Very high95.2Very high124 Ų12446.5 Ų46.558%0.57925%0.249SC*.  trans-68.6134.2167.2-74.9-57.5111.300110.4K235 S320K235-E316 VanDerWaalsContact CE-OE1 3.31Å; K235-E316 WeakPolarHBondContact CE-OE1 3.19Å; K235-E316 IonicContact NZ-OE1 3.33Å; K235-E316 PolarHBondContact NZ-OE1 2.87Å; K235-E316 IonicContact NZ-OE2 4Å; E316-S320 WeakPolarHBondContact OE2-CB 3.44Å
317T95.4Very high95Very high16 Ų1647.1 Ų47.110%0.09826%0.262CS..  trans-118.9161.617679.10000109.2E238 Y242 V312 F319 S320 Q321E238-T317 PolarHBondContact OE2-OG1 3.24Å; Y242-T317 HydrophobicContact CE2-CG2 4.38Å; Y242-T317 WeakPolarHBondContact OH-CB 3.36Å; Y242-T317 PolarHBondContact OH-OG1 3.12Å; V312-T317 HydrophobicContact CB-CG2 4.49Å; V312-T317 HydrophobicContact CG1-CG2 4.3Å; T317-F319 PolarHBondContact O-N 3.27Å; T317-F319 PolarHBondContact OG1-N 3.22Å; T317-S320 PolarHBondContact N-OG 3.19Å; T317-S320 WeakPolarHBondContact O-CB 3.2Å; T317-S320 PolarHBondContact O-N 3.1Å; T317-S320 VanDerWaalsContact O-N 3.11Å; T317-S320 PolarHBondContact O-OG 2.93Å; T317-S320 PolarHBondContact OG1-N 3.11Å; T317-S320 VanDerWaalsContact OG1-N 3.13Å; T317-S320 PolarHBondContact OG1-OG 3.28Å; T317-Q321 PolarHBondContact O-N 2.86Å
318P95.4Very high94.6Very high44 Ų4448.5 Ų48.529%0.28627%0.272SS..Hα-helixtrans-53.6-34.1170.9-25.135.3000112T287 D288 Q321 H322T287-P318 WeakPolarHBondContact O-CB 3.49Å; D288-P318 CarbonylContact O-C 3.56Å; D288-P318 VanDerWaalsContact O-C 3.28Å; P318-Q321 PolarHBondContact O-N 3.33Å; P318-H322 PolarHBondContact O-N 3.24Å; P318-H322 VanDerWaalsContact O-N 3.08Å
319F96Very high94.3Very high0 Ų046.6 Ų46.60%026%0.262CS..Hα-helixtrans-72.5-33.3-179.6-163.3-121000112.4E238 F241 Y242 F284 D288 F289 T317 Q321 H322 L323 L329E238-F319 HydrophobicContact CB-CD1 4.38Å; E238-F319 HydrophobicContact CG-CD1 4.14Å; F241-F319 HydrophobicContact CB-CD1 4.35Å; F241-F319 HydrophobicContact CB-CE1 3.86Å; F241-F319 HydrophobicContact CB-CZ 4.41Å; F241-F319 AromaticContact CD1-CE1 3.95Å; F241-F319 HydrophobicContact CD1-CE1 3.95Å; F241-F319 HydrophobicContact CD1-CE2 4.41Å; F241-F319 AromaticContact CD1-CZ 3.64Å; F241-F319 HydrophobicContact CD1-CZ 3.64Å; F241-F319 AromaticContact CD2-CE1 3.53Å; F241-F319 HydrophobicContact CD2-CE1 3.53Å; F241-F319 AromaticContact CD2-CZ 3.84Å; F241-F319 HydrophobicContact CD2-CZ 3.84Å; F241-F319 HydrophobicContact CE1-CE1 4.37Å; F241-F319 HydrophobicContact CE1-CE2 4.5Å; F241-F319 AromaticContact CE1-CZ 3.72Å; F241-F319 HydrophobicContact CE1-CZ 3.72Å; F241-F319 AromaticContact CE2-CE1 3.99Å; F241-F319 HydrophobicContact CE2-CE1 3.99Å; F241-F319 AromaticContact CE2-CZ 3.91Å; F241-F319 HydrophobicContact CE2-CZ 3.91Å; F241-F319 HydrophobicContact CG-CD1 4.43Å; F241-F319 AromaticContact CG-CE1 3.5Å; F241-F319 HydrophobicContact CG-CE1 3.5Å; F241-F319 VanDerWaalsContact CG-CE1 3.5Å; F241-F319 AromaticContact CG-CZ 3.69Å; F241-F319 HydrophobicContact CG-CZ 3.69Å; F241-F319 HydrophobicContact CZ-CE1 4.38Å; F241-F319 AromaticContact CZ-CZ 3.84Å; F241-F319 HydrophobicContact CZ-CZ 3.84Å; Y242-F319 HydrophobicContact CE2-CB 3.9Å; Y242-F319 HydrophobicContact CE2-CD1 4.47Å; F284-F319 HydrophobicContact CD1-CE2 4.37Å; F284-F319 HydrophobicContact CE1-CE2 4.01Å; F284-F319 HydrophobicContact CE1-CZ 4.33Å; D288-F319 HydrophobicContact CB-CD2 4.32Å; D288-F319 WeakPolarHBondContact O-CA 3.35Å; D288-F319 WeakPolarHBondContact O-CB 3.25Å; D288-F319 PolarHBondContact O-N 2.92Å; F289-F319 HydrophobicContact CD1-CB 4.26Å; F289-F319 AromaticContact CD1-CD2 3.9Å; F289-F319 HydrophobicContact CD1-CD2 3.9Å; F289-F319 HydrophobicContact CD1-CE2 4.46Å; F289-F319 HydrophobicContact CD1-CG 4.06Å; F289-F319 HydrophobicContact CE1-CD1 4.33Å; F289-F319 AromaticContact CE1-CD2 3.45Å; F289-F319 HydrophobicContact CE1-CD2 3.45Å; F289-F319 VanDerWaalsContact CE1-CD2 3.45Å; F289-F319 HydrophobicContact CE1-CE1 4.41Å; F289-F319 AromaticContact CE1-CE2 3.57Å; F289-F319 HydrophobicContact CE1-CE2 3.57Å; F289-F319 AromaticContact CE1-CG 3.87Å; F289-F319 HydrophobicContact CE1-CG 3.87Å; F289-F319 HydrophobicContact CE1-CZ 4.07Å; F289-F319 HydrophobicContact CZ-CD2 4.1Å; F289-F319 AromaticContact CZ-CE2 3.92Å; F289-F319 HydrophobicContact CZ-CE2 3.92Å; T317-F319 PolarHBondContact O-N 3.27Å; T317-F319 PolarHBondContact OG1-N 3.22Å; F319-Q321 VanDerWaalsContact C-N 3.26Å; F319-Q321 PolarHBondContact O-N 3.26Å; F319-H322 HydrophobicContact CD2-CB 4.37Å; F319-H322 PolarHBondContact O-N 2.93Å; F319-L323 HydrophobicContact CD1-CD1 3.8Å; F319-L323 HydrophobicContact CD1-CG 4Å; F319-L323 HydrophobicContact CE1-CD1 3.6Å; F319-L323 HydrophobicContact CE1-CD2 3.88Å; F319-L323 HydrophobicContact CE1-CG 3.71Å; F319-L323 HydrophobicContact CE2-CD2 4.41Å; F319-L323 HydrophobicContact CE2-CG 4.43Å; F319-L323 HydrophobicContact CG-CG 4.48Å; F319-L323 HydrophobicContact CZ-CD1 4.31Å; F319-L323 HydrophobicContact CZ-CD2 3.74Å; F319-L323 HydrophobicContact CZ-CG 3.94Å; F319-L323 WeakPolarHBondContact O-CG 3.36Å; F319-L323 PolarHBondContact O-N 3.12Å; F319-L329 HydrophobicContact CE2-CD2 4.5Å
320S93.5Very high94Very high1 Ų148.9 Ų48.91%0.00727%0.273CS..Hα-helixtrans-56.2-44.6173-39.40000111.2K235 E238 E316 T317 S324K235-S320 PolarHBondContact NZ-OG 3.09Å; E238-S320 WeakPolarHBondContact OE1-CA 3.43Å; E238-S320 VanDerWaalsContact OE1-CB 3.24Å; E238-S320 WeakPolarHBondContact OE1-CB 3.4Å; E238-S320 PolarHBondContact OE1-OG 2.91Å; E238-S320 PolarHBondContact OE2-OG 2.96Å; E316-S320 WeakPolarHBondContact OE2-CB 3.44Å; T317-S320 PolarHBondContact N-OG 3.19Å; T317-S320 WeakPolarHBondContact O-CB 3.2Å; T317-S320 PolarHBondContact O-N 3.1Å; T317-S320 VanDerWaalsContact O-N 3.11Å; T317-S320 PolarHBondContact O-OG 2.93Å; T317-S320 PolarHBondContact OG1-N 3.11Å; T317-S320 VanDerWaalsContact OG1-N 3.13Å; T317-S320 PolarHBondContact OG1-OG 3.28Å; S320-S324 WeakPolarHBondContact O-CB 3.43Å; S320-S324 PolarHBondContact O-N 2.89Å; S320-S324 PolarHBondContact O-OG 3.47Å
321Q92.4Very high93.7Very high128 Ų12852.1 Ų52.160%0.59829%0.29SS*.Hα-helixtrans-67.5-43.8178.5-62.6178.1-3.400110.7T317 P318 F319 S324 S325T317-Q321 PolarHBondContact O-N 2.86Å; P318-Q321 PolarHBondContact O-N 3.33Å; F319-Q321 VanDerWaalsContact C-N 3.26Å; F319-Q321 PolarHBondContact O-N 3.26Å; Q321-S324 PolarHBondContact O-N 3.09Å; Q321-S325 VanDerWaalsContact O-CB 3.31Å; Q321-S325 WeakPolarHBondContact O-CB 3.44Å; Q321-S325 PolarHBondContact O-N 3.32Å; Q321-S325 PolarHBondContact O-OG 2.98Å; Q321-S325 VanDerWaalsContact O-OG 3.05Å
322H93.6Very high93.4Very high37 Ų3750.6 Ų50.617%0.17128%0.277CS..Hα-helixtrans-58.8-52.3177.6-173.571.4000111.9D288 P318 F319 S324 S325 S326 L329D288-H322 IonicContact OD1-CE1 2.89Å; D288-H322 IonicContact OD1-CG 3.43Å; D288-H322 IonicContact OD1-ND1 3.36Å; P318-H322 PolarHBondContact O-N 3.24Å; P318-H322 VanDerWaalsContact O-N 3.08Å; F319-H322 HydrophobicContact CD2-CB 4.37Å; F319-H322 PolarHBondContact O-N 2.93Å; H322-S324 VanDerWaalsContact C-N 3.31Å; H322-S324 PolarHBondContact O-N 3.05Å; H322-S325 PolarHBondContact O-N 3.12Å; H322-S325 PolarHBondContact O-OG 3.49Å; H322-S326 WeakPolarHBondContact O-CB 3.31Å; H322-S326 PolarHBondContact O-N 3.23Å; H322-S326 VanDerWaalsContact O-N 3.16Å; H322-L329 WeakPolarHBondContact CD2-CD2 3.25Å; H322-L329 WeakPolarHBondContact NE2-CD2 3.11Å
323L93.5Very high93.3Very high3 Ų350.4 Ų50.42%0.01628%0.276CS..Hα-helixtrans-56.1-45176.3-72.7177.7000111.8E238 F319 S325 L329 Q330 L333E238-L323 HydrophobicContact CG-CD1 3.65Å; F319-L323 HydrophobicContact CD1-CD1 3.8Å; F319-L323 HydrophobicContact CD1-CG 4Å; F319-L323 HydrophobicContact CE1-CD1 3.6Å; F319-L323 HydrophobicContact CE1-CD2 3.88Å; F319-L323 HydrophobicContact CE1-CG 3.71Å; F319-L323 HydrophobicContact CE2-CD2 4.41Å; F319-L323 HydrophobicContact CE2-CG 4.43Å; F319-L323 HydrophobicContact CG-CG 4.48Å; F319-L323 HydrophobicContact CZ-CD1 4.31Å; F319-L323 HydrophobicContact CZ-CD2 3.74Å; F319-L323 HydrophobicContact CZ-CG 3.94Å; F319-L323 WeakPolarHBondContact O-CG 3.36Å; F319-L323 PolarHBondContact O-N 3.12Å; L323-S325 VanDerWaalsContact C-N 3.31Å; L323-S325 PolarHBondContact O-N 3.5Å; L323-L329 HydrophobicContact CD2-CD2 3.69Å; L323-L329 HydrophobicContact CD2-CG 4.13Å; L323-Q330 PolarHBondContact O-NE2 3.2Å; L323-L333 HydrophobicContact CD2-CD1 3.71Å
324S91.8Very high93.1Very high88 Ų8851 Ų5162%0.61528%0.28SS*.Hα-helixtrans-68-31.3-178.5-56.60000112.7S320 Q321 H322S320-S324 WeakPolarHBondContact O-CB 3.43Å; S320-S324 PolarHBondContact O-N 2.89Å; S320-S324 PolarHBondContact O-OG 3.47Å; Q321-S324 PolarHBondContact O-N 3.09Å; H322-S324 VanDerWaalsContact C-N 3.31Å; H322-S324 PolarHBondContact O-N 3.05Å
325S91.8Very high92.9Very high89 Ų8948.8 Ų48.862%0.62227%0.268SS*.Hα-helixtrans-87.6-9.6-177.368.70000114.9Q321 H322 L323 P327Q321-S325 VanDerWaalsContact O-CB 3.31Å; Q321-S325 WeakPolarHBondContact O-CB 3.44Å; Q321-S325 PolarHBondContact O-N 3.32Å; Q321-S325 PolarHBondContact O-OG 2.98Å; Q321-S325 VanDerWaalsContact O-OG 3.05Å; H322-S325 PolarHBondContact O-N 3.12Å; H322-S325 PolarHBondContact O-OG 3.49Å; L323-S325 VanDerWaalsContact C-N 3.31Å; L323-S325 PolarHBondContact O-N 3.5Å; S325-P327 WeakPolarHBondContact O-CD 3.47Å
326S91.4Very high92.9Very high23 Ų2342.6 Ų42.616%0.16124%0.241CC..  trans-124.787.4-170.9-174.20000112.2H322 V328 L329 Q330H322-S326 WeakPolarHBondContact O-CB 3.31Å; H322-S326 PolarHBondContact O-N 3.23Å; H322-S326 VanDerWaalsContact O-N 3.16Å; S326-V328 PolarHBondContact O-N 3.16Å; S326-L329 PolarHBondContact O-N 3.1Å; S326-L329 VanDerWaalsContact O-N 3.12Å; S326-L329 WeakPolarHBondContact OG-CB 3.27Å; S326-L329 PolarHBondContact OG-N 3.48Å; S326-Q330 WeakPolarHBondContact O-CG 3.42Å; S326-Q330 PolarHBondContact O-N 2.89Å
327P90.6Very high92.9Very high82 Ų8236.7 Ų36.753%0.53221%0.214SC..Hα-helixtrans-56.4-38.3174.5-25.434.6000112.6S325 L329 Q330 D331S325-P327 WeakPolarHBondContact O-CD 3.47Å; P327-L329 VanDerWaalsContact C-N 3.28Å; P327-L329 PolarHBondContact O-N 3.01Å; P327-Q330 WeakPolarHBondContact O-CA 3.32Å; P327-Q330 WeakPolarHBondContact O-CB 3.45Å; P327-Q330 PolarHBondContact O-N 3.3Å; P327-D331 PolarHBondContact O-N 3.21Å
328V89.8Confident92.9Very high54 Ų5436 Ų3633%0.32721%0.21SC..Hα-helixtrans-58.8-40.6177.6-179.20000111.4F271 S326 D331 H332F271-V328 HydrophobicContact CE1-CG1 4.06Å; F271-V328 HydrophobicContact CZ-CG1 4.11Å; S326-V328 PolarHBondContact O-N 3.16Å; V328-D331 PolarHBondContact O-N 3.29Å; V328-H332 PolarHBondContact O-CD2 3.32Å; V328-H332 VanDerWaalsContact O-CD2 3.29Å; V328-H332 PolarHBondContact O-N 2.72Å
329L91.6Very high92.8Very high0 Ų035.8 Ų35.80%021%0.211CC..Hα-helixtrans-66.7-40.9174.9178.359.1000111.3L267 P282 F284 F319 H322 L323 S326 P327 D331 H332 L333L267-L329 HydrophobicContact CD2-CD1 3.72Å; P282-L329 HydrophobicContact CB-CB 4.45Å; P282-L329 HydrophobicContact CB-CD1 4.37Å; P282-L329 HydrophobicContact CG-CD1 4.14Å; F284-L329 HydrophobicContact CE1-CD1 4.08Å; F284-L329 HydrophobicContact CE1-CD2 4.21Å; F284-L329 HydrophobicContact CZ-CD1 4.04Å; F319-L329 HydrophobicContact CE2-CD2 4.5Å; H322-L329 WeakPolarHBondContact CD2-CD2 3.25Å; H322-L329 WeakPolarHBondContact NE2-CD2 3.11Å; L323-L329 HydrophobicContact CD2-CD2 3.69Å; L323-L329 HydrophobicContact CD2-CG 4.13Å; S326-L329 PolarHBondContact O-N 3.1Å; S326-L329 VanDerWaalsContact O-N 3.12Å; S326-L329 WeakPolarHBondContact OG-CB 3.27Å; S326-L329 PolarHBondContact OG-N 3.48Å; P327-L329 VanDerWaalsContact C-N 3.28Å; P327-L329 PolarHBondContact O-N 3.01Å; L329-D331 VanDerWaalsContact C-N 3.28Å; L329-D331 PolarHBondContact O-N 2.96Å; L329-H332 WeakPolarHBondContact O-CB 3.39Å; L329-H332 PolarHBondContact O-N 2.9Å; L329-L333 HydrophobicContact CD1-CD1 4.1Å; L329-L333 HydrophobicContact CD1-CD2 4.45Å; L329-L333 HydrophobicContact CD1-CG 4.1Å; L329-L333 HydrophobicContact CG-CD1 4.01Å; L329-L333 HydrophobicContact CG-CG 4.42Å; L329-L333 VanDerWaalsContact O-CG 3.25Å; L329-L333 WeakPolarHBondContact O-CG 3.35Å; L329-L333 PolarHBondContact O-N 2.92Å
330Q92.6Very high92.8Very high48 Ų4837.3 Ų37.322%0.22422%0.222CC..Hα-helixtrans-60.8-40176.4-5718012.900111.4Y224 L323 S326 P327 L333 T334Y224-Q330 HydrophobicContact CD1-CG 4.39Å; Y224-Q330 HydrophobicContact CD2-CB 4.14Å; Y224-Q330 HydrophobicContact CE1-CB 4.29Å; Y224-Q330 HydrophobicContact CE1-CG 3.75Å; Y224-Q330 HydrophobicContact CE2-CB 3.83Å; Y224-Q330 HydrophobicContact CE2-CG 4.04Å; L323-Q330 PolarHBondContact O-NE2 3.2Å; S326-Q330 WeakPolarHBondContact O-CG 3.42Å; S326-Q330 PolarHBondContact O-N 2.89Å; P327-Q330 WeakPolarHBondContact O-CA 3.32Å; P327-Q330 WeakPolarHBondContact O-CB 3.45Å; P327-Q330 PolarHBondContact O-N 3.3Å; Q330-L333 PolarHBondContact O-N 3.39Å; Q330-T334 WeakPolarHBondContact O-CB 3.46Å; Q330-T334 PolarHBondContact O-N 3.03Å; Q330-T334 PolarHBondContact O-OG1 3.34Å
331D90.1Very high92.9Very high73 Ų7338.5 Ų38.539%0.3923%0.227SC..Hα-helixtrans-63.5-47175.6-69.3-27.8000111.3F271 P327 V328 L329 L333 T334 H335F271-D331 HydrophobicContact CD1-CB 4.48Å; F271-D331 HydrophobicContact CE1-CB 4.36Å; P327-D331 PolarHBondContact O-N 3.21Å; V328-D331 PolarHBondContact O-N 3.29Å; L329-D331 VanDerWaalsContact C-N 3.28Å; L329-D331 PolarHBondContact O-N 2.96Å; D331-L333 VanDerWaalsContact C-N 3.32Å; D331-L333 PolarHBondContact O-N 3.03Å; D331-T334 PolarHBondContact O-N 3.18Å; D331-H335 PolarHBondContact O-N 3.39Å; D331-H335 PolarHBondContact O-ND1 3.26Å
332H91.4Very high92.8Very high0 Ų035.7 Ų35.70%023%0.232CC..Hα-helixtrans-55.3-46.9174.4-92.7-80000112.3L267 V269 H270 F271 C274 P282 V328 L329 T334 H335 L336L267-H332 HydrophobicContact CD2-CB 4Å; V269-H332 PolarHBondContact O-CE1 2.95Å; V269-H332 PolarHBondContact O-ND1 3.33Å; H270-H332 AromaticContact ND1-CE1 3.51Å; F271-H332 AromaticContact CE1-CD2 3.82Å; F271-H332 AromaticContact CE1-NE2 3.77Å; C274-H332 PolarHBondContact SG-NE2 3.18Å; P282-H332 VanDerWaalsContact CD-CD2 3.42Å; P282-H332 WeakPolarHBondContact CD-CD2 3.42Å; P282-H332 WeakPolarHBondContact CD-NE2 3.28Å; V328-H332 PolarHBondContact O-CD2 3.32Å; V328-H332 VanDerWaalsContact O-CD2 3.29Å; V328-H332 PolarHBondContact O-N 2.72Å; L329-H332 WeakPolarHBondContact O-CB 3.39Å; L329-H332 PolarHBondContact O-N 2.9Å; H332-T334 VanDerWaalsContact C-N 3.31Å; H332-T334 PolarHBondContact O-N 3.36Å; H332-H335 PolarHBondContact O-N 2.76Å; H332-L336 VanDerWaalsContact O-CB 3.32Å; H332-L336 WeakPolarHBondContact O-CB 3.48Å; H332-L336 PolarHBondContact O-N 3.24Å
333L94.2Very high92.5Very high5 Ų535 Ų353%0.02623%0.23CC..Hα-helixtrans-68-33.8-178.9-62.5174.5000111.9L237 F241 F266 L323 L329 Q330 D331 Y337L237-L333 HydrophobicContact CD2-CB 4.43Å; L237-L333 HydrophobicContact CD2-CD1 3.79Å; F241-L333 HydrophobicContact CE2-CD1 4.09Å; F241-L333 HydrophobicContact CE2-CD2 3.95Å; F241-L333 HydrophobicContact CZ-CD1 4.27Å; F241-L333 HydrophobicContact CZ-CD2 3.7Å; F266-L333 HydrophobicContact CB-CD2 4.1Å; F266-L333 HydrophobicContact CD1-CD2 3.93Å; F266-L333 HydrophobicContact CG-CD2 4.46Å; L323-L333 HydrophobicContact CD2-CD1 3.71Å; L329-L333 HydrophobicContact CD1-CD1 4.1Å; L329-L333 HydrophobicContact CD1-CD2 4.45Å; L329-L333 HydrophobicContact CD1-CG 4.1Å; L329-L333 HydrophobicContact CG-CD1 4.01Å; L329-L333 HydrophobicContact CG-CG 4.42Å; L329-L333 VanDerWaalsContact O-CG 3.25Å; L329-L333 WeakPolarHBondContact O-CG 3.35Å; L329-L333 PolarHBondContact O-N 2.92Å; Q330-L333 PolarHBondContact O-N 3.39Å; D331-L333 VanDerWaalsContact C-N 3.32Å; D331-L333 PolarHBondContact O-N 3.03Å; L333-Y337 VanDerWaalsContact O-CB 3.28Å; L333-Y337 WeakPolarHBondContact O-CB 3.38Å; L333-Y337 PolarHBondContact O-N 3.45Å
334T93.6Very high91.9Very high25 Ų2540 Ų4015%0.15327%0.265CS..Hα-helixtrans-68.2-44.1174.7-59.10000111.4C222 Q330 D331 H332 Y337 C338 L345C222-T334 HydrophobicContact CB-CG2 4.22Å; Q330-T334 WeakPolarHBondContact O-CB 3.46Å; Q330-T334 PolarHBondContact O-N 3.03Å; Q330-T334 PolarHBondContact O-OG1 3.34Å; D331-T334 PolarHBondContact O-N 3.18Å; H332-T334 VanDerWaalsContact C-N 3.31Å; H332-T334 PolarHBondContact O-N 3.36Å; T334-Y337 WeakPolarHBondContact O-CB 3.29Å; T334-Y337 PolarHBondContact O-N 2.97Å; T334-C338 PolarHBondContact O-N 3.09Å; T334-L345 HydrophobicContact CG2-CD1 3.92Å
335H92.2Very high91Very high41 Ų4137.8 Ų37.819%0.1925%0.246CC..Hα-helixtrans-66.1-43.1176.2-73.579.2000111.8V269 D331 H332 Y337 C338 A339V269-H335 HydrophobicContact CG1-CB 3.92Å; D331-H335 PolarHBondContact O-N 3.39Å; D331-H335 PolarHBondContact O-ND1 3.26Å; H332-H335 PolarHBondContact O-N 2.76Å; H335-Y337 VanDerWaalsContact C-N 3.3Å; H335-Y337 PolarHBondContact O-N 3.29Å; H335-C338 PolarHBondContact O-N 3.02Å; H335-A339 WeakPolarHBondContact O-CB 3.34Å; H335-A339 PolarHBondContact O-N 3.16Å
336L94.6Very high89.6Confident14 Ų1438.5 Ų38.57%0.07325%0.247CC..Hα-helixtrans-57.7-45.4173.3177.272.7000111.1F43 L47 F266 V269 H332 A339 S340F43-L336 HydrophobicContact CE2-CD2 4.37Å; F43-L336 HydrophobicContact CE2-CG 4.27Å; F43-L336 HydrophobicContact CZ-CD2 4.13Å; F43-L336 HydrophobicContact CZ-CG 4.49Å; L47-L336 HydrophobicContact CD2-CD2 4.25Å; F266-L336 HydrophobicContact CB-CD2 4.35Å; F266-L336 HydrophobicContact CD1-CD2 3.92Å; F266-L336 HydrophobicContact CG-CD2 4.5Å; V269-L336 HydrophobicContact CG2-CD1 3.95Å; H332-L336 VanDerWaalsContact O-CB 3.32Å; H332-L336 WeakPolarHBondContact O-CB 3.48Å; H332-L336 PolarHBondContact O-N 3.24Å; L336-A339 PolarHBondContact O-N 3.21Å; L336-S340 WeakPolarHBondContact O-CB 3.32Å; L336-S340 PolarHBondContact O-N 3.09Å
337Y96.3Very high87.5Confident0 Ų044.5 Ų44.50%027%0.27CS..Hα-helixtrans-56.7-55.5178.1-176.6-90.5000110.6A39 H40 F43 L218 T221 C222 P223 L333 T334 H335 A339 S340 F341A39-Y337 WeakPolarHBondContact CB-OH 3.49Å; H40-Y337 PolarHBondContact CD2-OH 2.95Å; F43-Y337 HydrophobicContact CB-CD2 3.94Å; F43-Y337 HydrophobicContact CB-CE2 3.65Å; F43-Y337 AromaticContact CD1-CD2 3.86Å; F43-Y337 HydrophobicContact CD1-CD2 3.86Å; F43-Y337 HydrophobicContact CD1-CE2 4.2Å; F43-Y337 AromaticContact CD2-CD2 3.56Å; F43-Y337 HydrophobicContact CD2-CD2 3.56Å; F43-Y337 HydrophobicContact CD2-CE2 4.18Å; F43-Y337 HydrophobicContact CD2-CG 4.31Å; F43-Y337 HydrophobicContact CE1-CD2 4.17Å; F43-Y337 AromaticContact CE2-CD2 3.94Å; F43-Y337 HydrophobicContact CE2-CD2 3.94Å; F43-Y337 HydrophobicContact CE2-CG 4.47Å; F43-Y337 AromaticContact CG-CD2 3.5Å; F43-Y337 HydrophobicContact CG-CD2 3.5Å; F43-Y337 VanDerWaalsContact CG-CD2 3.5Å; F43-Y337 AromaticContact CG-CE2 3.75Å; F43-Y337 HydrophobicContact CG-CE2 3.75Å; F43-Y337 HydrophobicContact CZ-CD2 4.21Å; L218-Y337 HydrophobicContact CD1-CE1 4.01Å; L218-Y337 HydrophobicContact CG-CE1 4.37Å; T221-Y337 WeakPolarHBondContact CB-OH 3.45Å; T221-Y337 PolarHBondContact O-OH 2.8Å; T221-Y337 WeakPolarHBondContact OG1-CE1 3.43Å; T221-Y337 PolarHBondContact OG1-OH 2.77Å; C222-Y337 HydrophobicContact CB-CD1 4.45Å; C222-Y337 VanDerWaalsContact SG-CD1 3.52Å; P223-Y337 HydrophobicContact CG-CD2 4.4Å; L333-Y337 VanDerWaalsContact O-CB 3.28Å; L333-Y337 WeakPolarHBondContact O-CB 3.38Å; L333-Y337 PolarHBondContact O-N 3.45Å; T334-Y337 WeakPolarHBondContact O-CB 3.29Å; T334-Y337 PolarHBondContact O-N 2.97Å; H335-Y337 VanDerWaalsContact C-N 3.3Å; H335-Y337 PolarHBondContact O-N 3.29Å; Y337-A339 PolarHBondContact O-N 3.44Å; Y337-S340 WeakPolarHBondContact O-CB 3.29Å; Y337-S340 PolarHBondContact O-N 3.46Å; Y337-S340 PolarHBondContact O-OG 3.12Å; Y337-F341 HydrophobicContact CD1-CE2 4.47Å; Y337-F341 HydrophobicContact CE1-CD2 4.47Å; Y337-F341 HydrophobicContact CE1-CE2 4.06Å; Y337-F341 HydrophobicContact CE2-CE2 4.09Å; Y337-F341 AromaticContact CZ-CE2 3.86Å; Y337-F341 VanDerWaalsContact O-CD2 3.26Å; Y337-F341 WeakPolarHBondContact O-CD2 3.45Å
338C94.8Very high84.9Confident1 Ų149.2 Ų49.21%0.00729%0.285CS..Hα-helixtrans-60.9-45.7178.6-690000113L218 T334 H335 S340 F341 G342 I343 L345L218-C338 HydrophobicContact CD2-CB 4.46Å; T334-C338 PolarHBondContact O-N 3.09Å; H335-C338 PolarHBondContact O-N 3.02Å; C338-S340 PolarHBondContact O-N 3.5Å; C338-F341 PolarHBondContact O-N 3.27Å; C338-G342 PolarHBondContact O-N 3.24Å; C338-I343 CarbonylContact C-O 3.59Å; C338-I343 VanDerWaalsContact CB-O 3.31Å; C338-I343 WeakPolarHBondContact CB-O 3.41Å; C338-I343 PolarHBondContact O-N 3.48Å; C338-I343 VanDerWaalsContact O-N 3.12Å; C338-L345 HydrophobicContact CB-CD1 4.18Å; C338-L345 HydrophobicContact CB-CG 4.01Å
339A93.8Very high82.5Confident39 Ų3951 Ų5132%0.32229%0.29SS..Hα-helixtrans-60.6-33.7179.200000111.8V269 H335 L336 Y337 F341 G342 I343V269-A339 HydrophobicContact CG1-CB 4.14Å; V269-A339 HydrophobicContact CG2-CB 3.88Å; H335-A339 WeakPolarHBondContact O-CB 3.34Å; H335-A339 PolarHBondContact O-N 3.16Å; L336-A339 PolarHBondContact O-N 3.21Å; Y337-A339 PolarHBondContact O-N 3.44Å; A339-F341 PolarHBondContact O-N 3.18Å; A339-F341 VanDerWaalsContact O-N 3.15Å; A339-G342 PolarHBondContact O-N 3.3Å; A339-I343 PolarHBondContact N-O 2.73Å
340S94.9Very high79.8Confident32 Ų3256.4 Ų56.422%0.22433%0.325CS..Hα-helixtrans-60.8-24.4175.983.60000112.7F43 K46 L336 Y337 C338F43-S340 WeakPolarHBondContact CD2-OG 3.31Å; K46-S340 WeakPolarHBondContact CD-O 3.41Å; K46-S340 WeakPolarHBondContact CE-O 3.31Å; K46-S340 PolarHBondContact NZ-O 3.35Å; L336-S340 WeakPolarHBondContact O-CB 3.32Å; L336-S340 PolarHBondContact O-N 3.09Å; Y337-S340 WeakPolarHBondContact O-CB 3.29Å; Y337-S340 PolarHBondContact O-N 3.46Å; Y337-S340 PolarHBondContact O-OG 3.12Å; C338-S340 PolarHBondContact O-N 3.5Å
341F95.3Very high77Confident26 Ų2660.2 Ų60.211%0.11435%0.351CS..THydrogen-bonded Turntrans-98.56174.2-66-92.8000113.4A39 T42 F43 L98 L212 L218 Y337 C338 A339A39-F341 HydrophobicContact CB-CZ 4.38Å; A39-F341 WeakPolarHBondContact O-CZ 3.28Å; T42-F341 HydrophobicContact CG2-CE1 3.64Å; T42-F341 HydrophobicContact CG2-CZ 3.97Å; F43-F341 HydrophobicContact CB-CE2 4.22Å; F43-F341 HydrophobicContact CB-CZ 4.38Å; L98-F341 HydrophobicContact CD1-CD1 4.03Å; L98-F341 HydrophobicContact CD1-CE1 4Å; L212-F341 HydrophobicContact CB-CD1 4.47Å; L212-F341 HydrophobicContact CD1-CE1 4.19Å; L218-F341 HydrophobicContact CD1-CB 4.15Å; L218-F341 HydrophobicContact CD1-CD1 4.03Å; L218-F341 HydrophobicContact CD1-CD2 3.61Å; L218-F341 HydrophobicContact CD1-CE1 4.35Å; L218-F341 HydrophobicContact CD1-CE2 3.97Å; L218-F341 HydrophobicContact CD1-CG 3.67Å; L218-F341 HydrophobicContact CD1-CZ 4.33Å; L218-F341 HydrophobicContact CD2-CB 3.52Å; L218-F341 HydrophobicContact CD2-CD2 4.03Å; L218-F341 HydrophobicContact CD2-CG 3.94Å; L218-F341 HydrophobicContact CG-CD2 4.4Å; L218-F341 HydrophobicContact CG-CG 4.48Å; Y337-F341 HydrophobicContact CD1-CE2 4.47Å; Y337-F341 HydrophobicContact CE1-CD2 4.47Å; Y337-F341 HydrophobicContact CE1-CE2 4.06Å; Y337-F341 HydrophobicContact CE2-CE2 4.09Å; Y337-F341 AromaticContact CZ-CE2 3.86Å; Y337-F341 VanDerWaalsContact O-CD2 3.26Å; Y337-F341 WeakPolarHBondContact O-CD2 3.45Å; C338-F341 PolarHBondContact O-N 3.27Å; A339-F341 PolarHBondContact O-N 3.18Å; A339-F341 VanDerWaalsContact O-N 3.15Å
342G91Very high74.3Confident69 Ų6962.9 Ų62.971%0.71137%0.37SS*.THydrogen-bonded Turntrans79.618.5-179.200000114.3C338 A339C338-G342 PolarHBondContact O-N 3.24Å; A339-G342 PolarHBondContact O-N 3.3Å
343I86.4Confident71.3Confident22 Ų2268 Ų6811%0.11341%0.405CS..  trans-108.8123.3178.5-54.6-165.5000109.4P215 L218 C338 A339P215-I343 HydrophobicContact CB-CD1 4.29Å; P215-I343 HydrophobicContact CB-CG2 4Å; P215-I343 HydrophobicContact CG-CD1 4.15Å; P215-I343 HydrophobicContact CG-CG2 4.29Å; L218-I343 HydrophobicContact CB-CD1 4Å; L218-I343 HydrophobicContact CD2-CB 3.92Å; L218-I343 HydrophobicContact CD2-CD1 3.48Å; L218-I343 VanDerWaalsContact CD2-CD1 3.48Å; L218-I343 HydrophobicContact CD2-CG1 3.76Å; L218-I343 HydrophobicContact CG-CD1 4.37Å; C338-I343 CarbonylContact C-O 3.59Å; C338-I343 VanDerWaalsContact CB-O 3.31Å; C338-I343 WeakPolarHBondContact CB-O 3.41Å; C338-I343 PolarHBondContact O-N 3.48Å; C338-I343 VanDerWaalsContact O-N 3.12Å; A339-I343 PolarHBondContact N-O 2.73Å
344S80.9Confident68.4Low108 Ų10873.7 Ų73.776%0.75544%0.441SS*.PPolyproline II helixtrans-93.1128.5173-60.80000110.1
345L74.6Confident65.3Low42 Ų4275.8 Ų75.822%0.2247%0.468CS..PPolyproline II helixtrans-81.6125.2172.3-66.3170.8000109.3Q219 T334 C338Q219-L345 HydrophobicContact CG-CD2 4.39Å; T334-L345 HydrophobicContact CG2-CD1 3.92Å; C338-L345 HydrophobicContact CB-CD1 4.18Å; C338-L345 HydrophobicContact CB-CG 4.01Å
346T60.6Low62.2Low104 Ų10478.6 Ų78.664%0.63849%0.492SS*.PPolyproline II helixtrans-103.8147.6164.450.20000109.3E348T346-E348 PolarHBondContact O-N 3.44Å
347K48.1Very low59.1Low149 Ų14984.3 Ų84.365%0.64853%0.53SS*.THydrogen-bonded Turntrans-57.9-5.2-172.2-111.6177.6-179.2173.10116.2D273D273-K347 VanDerWaalsContact CG-NZ 3.31Å; D273-K347 IonicContact OD1-NZ 3.24Å; D273-K347 PolarHBondContact OD1-NZ 3.25Å; D273-K347 IonicContact OD2-NZ 3.53Å; D273-K347 PolarHBondContact OD2-NZ 3.29Å
348E35.3Very low56Low181 Ų18189.6 Ų89.685%0.84657%0.567SS**THydrogen-bonded Turntrans-93.313.4-169.2-70.4-167.8161.300115.8T346T346-E348 PolarHBondContact O-N 3.44Å
349Q41.1Very low53.1Low91 Ų91102.5 Ų102.543%0.42563%0.627SS.*SBendtrans-104.8118.9170.2-72.9-177-1800110V351Q349-V351 PolarHBondContact O-N 2.92Å; Q349-V351 VanDerWaalsContact O-N 3.13Å
350P33.3Very low51Low114 Ų114105.7 Ų105.774%0.7464%0.642SS**  trans-64.2121.1-167.424.2-31.1000109.6V352P350-V352 PolarHBondContact O-N 3.09Å
351V34.8Very low48.7Very low128 Ų128109.6 Ų109.678%0.77666%0.664SS**  trans-52110.9153.2178.40000105.3Q349 S353Q349-V351 PolarHBondContact O-N 2.92Å; Q349-V351 VanDerWaalsContact O-N 3.13Å; V351-S353 VanDerWaalsContact C-N 3.26Å; V351-S353 PolarHBondContact O-N 3.23Å
352V33.1Very low46.1Very low129 Ų129114.2 Ų114.278%0.78270%0.695SS**  trans-62.999170.31760000105.5P350 T354P350-V352 PolarHBondContact O-N 3.09Å; V352-T354 PolarHBondContact O-N 3.16Å
353S28Very low43.5Very low107 Ų107116.9 Ų116.975%0.74869%0.694SS**  trans-52.8110.7177.4-63.70000109.1V351 G355V351-S353 VanDerWaalsContact C-N 3.26Å; V351-S353 PolarHBondContact O-N 3.23Å; S353-G355 VanDerWaalsContact C-N 3.27Å; S353-G355 PolarHBondContact O-N 3.28Å
354T34.2Very low40.8Very low125 Ų125122.8 Ų122.877%0.76773%0.73SS**  trans-6992.2162.4500000107.2V352 S356V352-T354 PolarHBondContact O-N 3.16Å; T354-S356 PolarHBondContact O-N 2.99Å
355G27.2Very low38.1Very low70 Ų70123.8 Ų123.872%0.72273%0.729SS**  trans-65.7110.3164.900000108.7S353S353-G355 VanDerWaalsContact C-N 3.27Å; S353-G355 PolarHBondContact O-N 3.28Å
356S27.4Very low35.5Very low100 Ų100129.6 Ų129.670%0.69977%0.765SS**  trans-58.2130.3164.3-54.10000109T354 S358T354-S356 PolarHBondContact O-N 2.99Å; S356-S358 PolarHBondContact O-N 3.33Å; S356-S358 VanDerWaalsContact O-N 3.13Å
357P30.9Very low33.6Very low133 Ų133131.6 Ų131.686%0.86478%0.775SS**  trans-68116.8169.526.6-28.3000107.9Q359P357-Q359 PolarHBondContact O-N 3.1Å
358S30.8Very low32.4Very low112 Ų112130.2 Ų130.278%0.78379%0.785SS**  trans-82.9110.6170.1-51.50000107.5S356S356-S358 PolarHBondContact O-N 3.33Å; S356-S358 VanDerWaalsContact O-N 3.13Å
359Q32.6Very low32.1Very low272 Ų272125.5 Ų125.5100%1.27178%0.78SS**  trans57.80167.1-69.2-173.7-8.700119.2P357P357-Q359 PolarHBondContact O-N 3.1Å

Retrieved 359 of 359 residues in 73.3 ms (Link to these results)

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