A0A3Q0KGP3_SCHMA Loading...

Putative ral AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KGP3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 203 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	64.4	Low	89.4	Confident	242 Å²	242	74.5 Å²	74.5	100%	1.192	36%	0.363	S	S	*	.				0	134.7	0	-79.5	-178.2	-115.4	0	0	108.4	Q3	M1-Q3 PolarHBondContact O-N 2.78Å
2	Q	74.7	Confident	89.8	Confident	144 Å²	144	68.3 Å²	68.3	67%	0.673	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-64.2	131	173.7	-172.3	177.2	24.5	0	0	109	P53	Q2-P53 HydrophobicContact CB-CG 4.16Å; Q2-P53 HydrophobicContact CG-CG 4.14Å
3	Q	86	Confident	90	Very high	173 Å²	173	63 Å²	63	81%	0.808	31%	0.307	S	S	*	.	P	Polyproline II helix	trans	-67.1	136.7	174.6	-73	-172.4	-12.4	0	0	109.3	M1	M1-Q3 PolarHBondContact O-N 2.78Å
4	P	90.1	Very high	90.1	Very high	42 Å²	42	59.8 Å²	59.8	27%	0.273	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-67.3	140.7	-179.2	27.7	-33.7	0	0	0	110.8	I6 P53 Q55	P4-I6 PolarHBondContact O-N 2.83Å; P4-P53 CarbonylContact C-O 3.58Å; P4-P53 VanDerWaalsContact CA-O 3.24Å; P4-P53 WeakPolarHBondContact CA-O 3.39Å; P4-P53 HydrophobicContact CB-CB 4.15Å; P4-Q55 HydrophobicContact CB-CB 4.19Å; P4-Q55 HydrophobicContact CG-CB 4.3Å
5	T	92.3	Very high	90.1	Very high	59 Å²	59	57.9 Å²	57.9	36%	0.362	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	121	167.8	-58.4	0	0	0	0	108.4	L7 P53 L54 Q55	T5-L7 HydrophobicContact CG2-CD2 4.13Å; T5-P53 PolarHBondContact N-O 3.02Å; T5-L54 WeakPolarHBondContact O-CA 3.46Å; T5-Q55 PolarHBondContact O-N 3.44Å
6	I	95.2	Very high	90	Very high	61 Å²	61	56.2 Å²	56.2	31%	0.313	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	131.6	178.5	-57.6	174.2	0	0	0	108.7	P4 R8 Q55 D57	P4-I6 PolarHBondContact O-N 2.83Å; I6-R8 HydrophobicContact CG2-CG 4.24Å; I6-Q55 CarbonylContact C-O 3.56Å; I6-Q55 WeakPolarHBondContact CA-O 3.37Å; I6-Q55 HydrophobicContact CG1-CB 4.32Å; I6-D57 HydrophobicContact CG2-CB 4.22Å
7	L	96.5	Very high	90.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113.5	174.9	-53.6	179.4	0	0	0	108.1	T5 L54 Q55 F56 D57 E79 I177 R178	T5-L7 HydrophobicContact CG2-CD2 4.13Å; L7-L54 HydrophobicContact CD1-CD1 4.13Å; L7-L54 HydrophobicContact CD1-CD2 4.36Å; L7-Q55 PolarHBondContact N-O 3.42Å; L7-F56 HydrophobicContact CD1-CD1 4.47Å; L7-F56 HydrophobicContact CD1-CE1 3.93Å; L7-F56 HydrophobicContact CD1-CZ 3.97Å; L7-D57 PolarHBondContact O-N 3.09Å; L7-E79 WeakPolarHBondContact CA-OE2 3.24Å; L7-I177 HydrophobicContact CB-CD1 4.46Å; L7-I177 HydrophobicContact CD2-CB 4.44Å; L7-I177 HydrophobicContact CD2-CG2 3.82Å; L7-R178 HydrophobicContact CD2-CG 4.06Å
8	R	96.7	Very high	90.2	Very high	96 Å²	96	50.7 Å²	50.7	36%	0.362	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	116.3	-179.8	-61.6	-177.7	-175.6	91.1	-0.5	110.1	I6 D57 I77 S78 E79 G80	I6-R8 HydrophobicContact CG2-CG 4.24Å; R8-D57 WeakPolarHBondContact CA-O 3.39Å; R8-D57 HydrophobicContact CG-CB 4.31Å; R8-I77 WeakPolarHBondContact CD-O 3.36Å; R8-S78 CarbonylContact O-C 3.6Å; R8-E79 HydrophobicContact CB-CG 4.36Å; R8-E79 PolarHBondContact N-OE2 3.1Å; R8-E79 IonicContact NH1-OE1 2.97Å; R8-E79 PolarHBondContact NH1-OE1 3.06Å; R8-E79 WeakPolarHBondContact O-CA 3.26Å; R8-E79 PolarHBondContact O-N 2.95Å; R8-G80 PolarHBondContact O-N 3.36Å; R8-G80 VanDerWaalsContact O-N 3.16Å
9	I	97	Very high	90.4	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	133.2	-176.8	-62.3	159.6	0	0	0	109.1	F56 D57 L59 G80 I82 F170 I173 I177	I9-F56 HydrophobicContact CD1-CD1 3.57Å; I9-F56 HydrophobicContact CD1-CE1 4.09Å; I9-D57 PolarHBondContact N-O 3.38Å; I9-L59 PolarHBondContact O-N 3Å; I9-G80 WeakPolarHBondContact CA-O 3.45Å; I9-I82 HydrophobicContact CG2-CD1 3.8Å; I9-I82 HydrophobicContact CG2-CG1 3.94Å; I9-F170 HydrophobicContact CD1-CD1 4.39Å; I9-I173 HydrophobicContact CD1-CG2 3.67Å; I9-I173 HydrophobicContact CG1-CG2 4.25Å; I9-I173 HydrophobicContact CG2-CG2 4.44Å; I9-I177 HydrophobicContact CD1-CD1 4.35Å; I9-I177 HydrophobicContact CG1-CD1 3.63Å
10	A	95.3	Very high	90.4	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.2	164.8	0	0	0	0	0	110.7	V12 L59 S78 G80 F81 I82	A10-V12 HydrophobicContact CB-CG1 4.35Å; A10-L59 WeakPolarHBondContact CA-O 3.19Å; A10-L59 HydrophobicContact CB-CD2 4.22Å; A10-S78 VanDerWaalsContact CB-OG 3.28Å; A10-S78 WeakPolarHBondContact CB-OG 3.43Å; A10-G80 PolarHBondContact N-O 2.95Å; A10-F81 HydrophobicContact CB-CD1 3.75Å; A10-F81 HydrophobicContact CB-CE1 3.91Å; A10-F81 VanDerWaalsContact O-CA 3.29Å; A10-F81 WeakPolarHBondContact O-CA 3.31Å; A10-I82 PolarHBondContact O-N 3.31Å
11	I	95.1	Very high	90.4	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	123.9	168.8	-47.2	-165.3	0	0	0	108.2	K19 T23 I58 L59 T61 I82 V84 F170	I11-K19 HydrophobicContact CB-CB 4.44Å; I11-K19 HydrophobicContact CG2-CB 3.75Å; I11-K19 HydrophobicContact CG2-CD 4.13Å; I11-K19 HydrophobicContact CG2-CG 3.82Å; I11-T23 WeakPolarHBondContact CD1-OG1 3.48Å; I11-I58 HydrophobicContact CD1-CG2 3.88Å; I11-I58 HydrophobicContact CG1-CG2 3.93Å; I11-L59 PolarHBondContact N-O 3.41Å; I11-T61 WeakPolarHBondContact O-CB 3.36Å; I11-T61 WeakPolarHBondContact O-CG2 3.42Å; I11-T61 PolarHBondContact O-OG1 2.73Å; I11-I82 HydrophobicContact CD1-CD1 4.24Å; I11-I82 HydrophobicContact CG1-CB 4.4Å; I11-I82 HydrophobicContact CG1-CD1 4.21Å; I11-I82 HydrophobicContact CG2-CB 4.33Å; I11-I82 HydrophobicContact CG2-CG2 4.45Å; I11-V84 HydrophobicContact CG2-CG2 3.45Å; I11-V84 VanDerWaalsContact CG2-CG2 3.45Å; I11-F170 HydrophobicContact CD1-CE1 3.82Å; I11-F170 HydrophobicContact CD1-CZ 3.56Å
12	V	93.7	Very high	91.7	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	155.2	-174	-58.6	0	0	0	0	110.8	A10 T61 F75 F81 I82 L83 V84 F99 I103	A10-V12 HydrophobicContact CB-CG1 4.35Å; V12-T61 HydrophobicContact CG1-CG2 4.48Å; V12-F75 HydrophobicContact CG1-CD1 4.45Å; V12-F75 HydrophobicContact CG1-CE1 3.44Å; V12-F75 VanDerWaalsContact CG1-CE1 3.44Å; V12-F75 HydrophobicContact CG1-CZ 3.72Å; V12-F81 HydrophobicContact CG1-CD1 4.34Å; V12-I82 PolarHBondContact N-O 2.77Å; V12-L83 HydrophobicContact CG2-CB 4.48Å; V12-L83 HydrophobicContact CG2-CD1 4.09Å; V12-L83 HydrophobicContact CG2-CG 3.84Å; V12-V84 PolarHBondContact O-N 3.04Å; V12-F99 HydrophobicContact CB-CD1 4.31Å; V12-F99 HydrophobicContact CG2-CB 4.38Å; V12-I103 HydrophobicContact CG2-CD1 3.93Å
13	G	93.4	Very high	92.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	17%	0.165	C	C	.	.			trans	145.6	165.9	-175.1	0	0	0	0	0	111.6	K19 G63 V84	G13-K19 WeakPolarHBondContact O-CE 3.43Å; G13-K19 PolarHBondContact O-NZ 3.19Å; G13-G63 WeakPolarHBondContact O-CA 3.36Å; G13-V84 WeakPolarHBondContact CA-O 3.45Å
14	S	91.6	Very high	92.6	Very high	18 Å²	18	21 Å²	21	13%	0.126	13%	0.132	C	C	.	.	S	Bend	trans	-57.7	167.2	-176.8	-57.3	0	0	0	0	113.5	V17 K19 S95	S14-V17 VanDerWaalsContact O-CG2 3.3Å; S14-V17 WeakPolarHBondContact O-CG2 3.46Å; S14-K19 PolarHBondContact O-NZ 3.17Å; S14-S95 WeakPolarHBondContact OG-CB 3.39Å; S14-S95 PolarHBondContact OG-OG 3.12Å
15	G	88.9	Confident	92.5	Very high	32 Å²	32	19 Å²	19	33%	0.33	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	147.9	173.2	0	0	0	0	0	111.7	V17	G15-V17 PolarHBondContact O-N 3.07Å
16	G	89	Confident	92.4	Very high	30 Å²	30	16.2 Å²	16.2	31%	0.309	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	0.9	173.3	0	0	0	0	0	117.4	G18 Y35 K120	G16-G18 PolarHBondContact O-N 3.49Å; G16-Y35 PolarHBondContact N-OH 3.06Å; G16-K120 VanDerWaalsContact O-CE 3.24Å; G16-K120 WeakPolarHBondContact O-CE 3.35Å; G16-K120 PolarHBondContact O-NZ 3.31Å
17	V	92.3	Very high	92.1	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-74.5	-8.9	-180	-54.8	0	0	0	0	114.2	S14 G15 K19 V84 A86 N119	S14-V17 VanDerWaalsContact O-CG2 3.3Å; S14-V17 WeakPolarHBondContact O-CG2 3.46Å; G15-V17 PolarHBondContact O-N 3.07Å; V17-K19 HydrophobicContact CG2-CD 4.31Å; V17-K19 HydrophobicContact CG2-CG 3.62Å; V17-V84 HydrophobicContact CB-CG1 4.27Å; V17-V84 HydrophobicContact CG2-CB 4.01Å; V17-V84 HydrophobicContact CG2-CG1 3.8Å; V17-A86 HydrophobicContact CB-CB 4.05Å; V17-A86 HydrophobicContact CG1-CB 4.26Å; V17-N119 PolarHBondContact O-ND2 3.35Å
18	G	91.8	Very high	91.7	Very high	14 Å²	14	20.3 Å²	20.3	14%	0.144	12%	0.116	C	C	.	.	S	Bend	trans	93.2	24.8	176.9	0	0	0	0	0	116.3	G16 S20 S21 L22	G16-G18 PolarHBondContact O-N 3.49Å; G18-S20 PolarHBondContact O-N 3.14Å; G18-S21 PolarHBondContact O-N 2.97Å; G18-L22 WeakPolarHBondContact O-CG 3.32Å; G18-L22 PolarHBondContact O-N 3.28Å
19	K	92.6	Very high	91	Very high	10 Å²	10	19.1 Å²	19.1	4%	0.043	12%	0.123	C	C	.	.	H	α-helix	trans	-54.4	-49.8	175	-57.3	-174.3	-63.4	-72.1	0	112.7	I11 G13 S14 V17 L22 T23 D60 T61 V84	I11-K19 HydrophobicContact CB-CB 4.44Å; I11-K19 HydrophobicContact CG2-CB 3.75Å; I11-K19 HydrophobicContact CG2-CD 4.13Å; I11-K19 HydrophobicContact CG2-CG 3.82Å; G13-K19 WeakPolarHBondContact O-CE 3.43Å; G13-K19 PolarHBondContact O-NZ 3.19Å; S14-K19 PolarHBondContact O-NZ 3.17Å; V17-K19 HydrophobicContact CG2-CD 4.31Å; V17-K19 HydrophobicContact CG2-CG 3.62Å; K19-L22 PolarHBondContact O-N 3.19Å; K19-T23 PolarHBondContact O-N 3.17Å; K19-T23 PolarHBondContact O-OG1 2.79Å; K19-D60 WeakPolarHBondContact CB-OD1 3.27Å; K19-T61 WeakPolarHBondContact CE-O 3.36Å; K19-V84 HydrophobicContact CG-CB 4.23Å; K19-V84 HydrophobicContact CG-CG2 4.36Å
20	S	90.7	Very high	90	Very high	24 Å²	24	24.3 Å²	24.3	17%	0.168	15%	0.147	C	C	.	.	H	α-helix	trans	-64.4	-42	178.3	-50.1	0	0	0	0	111.4	G18 L22 T23 L24 T38 D60	G18-S20 PolarHBondContact O-N 3.14Å; S20-L22 PolarHBondContact O-N 3.28Å; S20-T23 WeakPolarHBondContact O-CB 3.44Å; S20-T23 PolarHBondContact O-N 2.92Å; S20-T23 VanDerWaalsContact O-N 3.15Å; S20-L24 WeakPolarHBondContact O-CB 3.3Å; S20-L24 WeakPolarHBondContact O-CG 3.09Å; S20-L24 PolarHBondContact O-N 3.32Å; S20-T38 PolarHBondContact OG-OG1 2.74Å; S20-D60 VanDerWaalsContact CA-OD2 3.31Å; S20-D60 WeakPolarHBondContact CA-OD2 3.38Å; S20-D60 WeakPolarHBondContact CB-OD2 3.4Å; S20-D60 PolarHBondContact OG-OD1 3.16Å; S20-D60 PolarHBondContact OG-OD2 2.6Å
21	S	90.7	Very high	89	Confident	28 Å²	28	28.1 Å²	28.1	20%	0.196	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-43.5	176.7	-47	0	0	0	0	112.1	G18 T23 Q25	G18-S21 PolarHBondContact O-N 2.97Å; S21-T23 VanDerWaalsContact C-N 3.34Å; S21-Q25 VanDerWaalsContact O-CB 3.23Å; S21-Q25 WeakPolarHBondContact O-CB 3.47Å; S21-Q25 WeakPolarHBondContact O-CG 3.38Å; S21-Q25 PolarHBondContact O-N 3.27Å
22	L	91.3	Very high	88.1	Confident	2 Å²	2	32 Å²	32	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-63.1	-40.7	173.8	-71	171.4	0	0	0	112	G18 K19 S20 F26 V84 V117 N119 T149 A151 F166	G18-L22 WeakPolarHBondContact O-CG 3.32Å; G18-L22 PolarHBondContact O-N 3.28Å; K19-L22 PolarHBondContact O-N 3.19Å; S20-L22 PolarHBondContact O-N 3.28Å; L22-F26 WeakPolarHBondContact O-CB 3.46Å; L22-F26 PolarHBondContact O-N 3.43Å; L22-V84 HydrophobicContact CD1-CG1 4.03Å; L22-V84 HydrophobicContact CD1-CG2 4.14Å; L22-V117 HydrophobicContact CD1-CG1 4.13Å; L22-N119 HydrophobicContact CD1-CB 4.33Å; L22-T149 HydrophobicContact CD1-CG2 4.41Å; L22-T149 HydrophobicContact CD2-CG2 3.72Å; L22-A151 HydrophobicContact CD2-CB 3.9Å; L22-A151 HydrophobicContact CG-CB 4.17Å; L22-F166 HydrophobicContact CD2-CB 3.88Å
23	T	91.7	Very high	86.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63.9	-50.7	178.6	-56.2	0	0	0	0	111.4	I11 K19 S20 S21 F26 V27 Y43 I58 D60	I11-T23 WeakPolarHBondContact CD1-OG1 3.48Å; K19-T23 PolarHBondContact O-N 3.17Å; K19-T23 PolarHBondContact O-OG1 2.79Å; S20-T23 WeakPolarHBondContact O-CB 3.44Å; S20-T23 PolarHBondContact O-N 2.92Å; S20-T23 VanDerWaalsContact O-N 3.15Å; S21-T23 VanDerWaalsContact C-N 3.34Å; T23-F26 PolarHBondContact O-N 3.47Å; T23-V27 HydrophobicContact CG2-CG2 4.17Å; T23-V27 WeakPolarHBondContact O-CB 3.37Å; T23-V27 WeakPolarHBondContact O-CG2 3.28Å; T23-V27 PolarHBondContact O-N 3.43Å; T23-Y43 HydrophobicContact CG2-CD2 3.33Å; T23-Y43 HydrophobicContact CG2-CE2 3.83Å; T23-Y43 HydrophobicContact CG2-CG 3.84Å; T23-I58 HydrophobicContact CG2-CB 4.3Å; T23-I58 HydrophobicContact CG2-CG2 3.69Å; T23-D60 HydrophobicContact CG2-CB 4.48Å
24	L	89.2	Confident	85.9	Confident	22 Å²	22	46.2 Å²	46.2	12%	0.115	25%	0.254	C	S	.	.	H	α-helix	trans	-67.8	-37.8	-178.1	-66.3	174.8	0	0	0	111.7	S20 F26 V27 Y28 S29 E30 I32 Y43	S20-L24 WeakPolarHBondContact O-CB 3.3Å; S20-L24 WeakPolarHBondContact O-CG 3.09Å; S20-L24 PolarHBondContact O-N 3.32Å; L24-F26 VanDerWaalsContact C-N 3.31Å; L24-F26 PolarHBondContact O-N 3.17Å; L24-V27 PolarHBondContact O-N 3.5Å; L24-Y28 HydrophobicContact CD2-CD2 3.77Å; L24-Y28 HydrophobicContact CD2-CE2 3.92Å; L24-Y28 WeakPolarHBondContact O-CA 2.94Å; L24-Y28 PolarHBondContact O-N 2.9Å; L24-S29 PolarHBondContact O-N 3.45Å; L24-E30 CarbonylContact C-O 3.56Å; L24-I32 HydrophobicContact CD1-CD1 3.71Å; L24-I32 HydrophobicContact CD1-CG1 4.16Å; L24-Y43 HydrophobicContact CD2-CD1 4.29Å; L24-Y43 HydrophobicContact CD2-CE1 3.58Å
25	Q	88.2	Confident	84.6	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.009	27%	0.274	C	S	.	.	H	α-helix	trans	-59.1	-45	171.3	-82.6	-72.1	17.6	0	0	111.8	S21 S29 E30 A151 Y154 F166	S21-Q25 VanDerWaalsContact O-CB 3.23Å; S21-Q25 WeakPolarHBondContact O-CB 3.47Å; S21-Q25 WeakPolarHBondContact O-CG 3.38Å; S21-Q25 PolarHBondContact O-N 3.27Å; Q25-S29 WeakPolarHBondContact O-CA 3.5Å; Q25-S29 PolarHBondContact O-N 3.11Å; Q25-E30 PolarHBondContact N-O 3.37Å; Q25-A151 WeakPolarHBondContact CG-O 3.12Å; Q25-A151 PolarHBondContact NE2-O 2.72Å; Q25-Y154 PolarHBondContact OE1-OH 2.78Å; Q25-Y154 VanDerWaalsContact OE1-OH 3.12Å; Q25-F166 HydrophobicContact CB-CD1 4.33Å; Q25-F166 HydrophobicContact CB-CD2 4.01Å; Q25-F166 HydrophobicContact CB-CE1 4.26Å; Q25-F166 HydrophobicContact CB-CE2 3.96Å; Q25-F166 HydrophobicContact CB-CG 4.21Å; Q25-F166 HydrophobicContact CB-CZ 4.08Å; Q25-F166 HydrophobicContact CG-CE1 4.46Å
26	F	89.7	Confident	83.7	Confident	0 Å²	0	58 Å²	58	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-68.8	-41.6	176.5	175.9	-100.4	0	0	0	112.3	L22 T23 L24 R45 M47 F56 I58 L167 F170	L22-F26 WeakPolarHBondContact O-CB 3.46Å; L22-F26 PolarHBondContact O-N 3.43Å; T23-F26 PolarHBondContact O-N 3.47Å; L24-F26 VanDerWaalsContact C-N 3.31Å; L24-F26 PolarHBondContact O-N 3.17Å; F26-R45 HydrophobicContact CD1-CB 4.33Å; F26-R45 HydrophobicContact CE1-CB 3.75Å; F26-R45 HydrophobicContact CE1-CG 4.19Å; F26-R45 HydrophobicContact CZ-CB 4.43Å; F26-R45 HydrophobicContact CZ-CG 4.48Å; F26-R45 WeakPolarHBondContact O-CD 3.47Å; F26-R45 PolarHBondContact O-NE 3.27Å; F26-R45 PolarHBondContact O-NH1 3.07Å; F26-M47 HydrophobicContact CE1-CE 4.33Å; F26-M47 HydrophobicContact CE2-CE 3.52Å; F26-M47 HydrophobicContact CZ-CE 3.31Å; F26-F56 HydrophobicContact CE1-CB 3.91Å; F26-F56 HydrophobicContact CE1-CD1 4.42Å; F26-F56 HydrophobicContact CE1-CG 4.03Å; F26-F56 HydrophobicContact CZ-CB 4.25Å; F26-F56 HydrophobicContact CZ-CD1 4.1Å; F26-F56 HydrophobicContact CZ-CD2 4.05Å; F26-F56 HydrophobicContact CZ-CE2 4.49Å; F26-F56 AromaticContact CZ-CG 3.85Å; F26-F56 HydrophobicContact CZ-CG 3.85Å; F26-I58 HydrophobicContact CD1-CD1 3.24Å; F26-I58 HydrophobicContact CE1-CD1 3.4Å; F26-I58 HydrophobicContact CG-CD1 4.38Å; F26-L167 HydrophobicContact CD2-CD1 4.02Å; F26-L167 HydrophobicContact CE2-CD1 3.7Å; F26-F170 HydrophobicContact CB-CD2 3.45Å; F26-F170 VanDerWaalsContact CB-CD2 3.45Å; F26-F170 HydrophobicContact CB-CE2 3.25Å; F26-F170 HydrophobicContact CB-CG 4.25Å; F26-F170 HydrophobicContact CB-CZ 3.89Å; F26-F170 HydrophobicContact CD1-CB 4.47Å; F26-F170 HydrophobicContact CD1-CD1 4Å; F26-F170 AromaticContact CD1-CD2 3.94Å; F26-F170 HydrophobicContact CD1-CD2 3.94Å; F26-F170 HydrophobicContact CD1-CE1 4.2Å; F26-F170 HydrophobicContact CD1-CE2 4.17Å; F26-F170 AromaticContact CD1-CG 3.87Å; F26-F170 HydrophobicContact CD1-CG 3.87Å; F26-F170 HydrophobicContact CD1-CZ 4.28Å; F26-F170 HydrophobicContact CD2-CB 3.65Å; F26-F170 HydrophobicContact CD2-CD1 4.48Å; F26-F170 AromaticContact CD2-CD2 3.3Å; F26-F170 HydrophobicContact CD2-CD2 3.3Å; F26-F170 HydrophobicContact CD2-CE2 4.07Å; F26-F170 AromaticContact CD2-CG 3.56Å; F26-F170 HydrophobicContact CD2-CG 3.56Å; F26-F170 HydrophobicContact CE1-CB 4.19Å; F26-F170 HydrophobicContact CE1-CD1 4.07Å; F26-F170 HydrophobicContact CE1-CD2 4.48Å; F26-F170 AromaticContact CE1-CG 3.99Å; F26-F170 HydrophobicContact CE1-CG 3.99Å; F26-F170 HydrophobicContact CE2-CB 3.3Å; F26-F170 AromaticContact CE2-CD2 3.93Å; F26-F170 HydrophobicContact CE2-CD2 3.93Å; F26-F170 AromaticContact CE2-CG 3.69Å; F26-F170 HydrophobicContact CE2-CG 3.69Å; F26-F170 HydrophobicContact CG-CB 4.2Å; F26-F170 HydrophobicContact CG-CD1 4.18Å; F26-F170 AromaticContact CG-CD2 3.27Å; F26-F170 HydrophobicContact CG-CD2 3.27Å; F26-F170 HydrophobicContact CG-CE1 4.41Å; F26-F170 AromaticContact CG-CE2 3.59Å; F26-F170 HydrophobicContact CG-CE2 3.59Å; F26-F170 AromaticContact CG-CG 3.62Å; F26-F170 HydrophobicContact CG-CG 3.62Å; F26-F170 HydrophobicContact CG-CZ 4.14Å; F26-F170 HydrophobicContact CZ-CB 3.58Å; F26-F170 HydrophobicContact CZ-CD1 4.31Å; F26-F170 HydrophobicContact CZ-CD2 4.46Å; F26-F170 AromaticContact CZ-CG 3.88Å; F26-F170 HydrophobicContact CZ-CG 3.88Å
27	V	89.3	Confident	82.9	Confident	18 Å²	18	60.4 Å²	60.4	11%	0.109	30%	0.304	C	S	.	.	H	α-helix	trans	-80.4	-41.3	-171.6	179.1	0	0	0	0	111.9	T23 L24 Y43 I58	T23-V27 HydrophobicContact CG2-CG2 4.17Å; T23-V27 WeakPolarHBondContact O-CB 3.37Å; T23-V27 WeakPolarHBondContact O-CG2 3.28Å; T23-V27 PolarHBondContact O-N 3.43Å; L24-V27 PolarHBondContact O-N 3.5Å; V27-Y43 HydrophobicContact CG2-CG 4.48Å; V27-I58 HydrophobicContact CG2-CD1 3.92Å
28	Y	86.6	Confident	81.8	Confident	128 Å²	128	61.6 Å²	61.6	50%	0.502	31%	0.311	S	S	.	.	H	α-helix	trans	-121.9	-4.5	-170.1	-56.2	-60.4	0	0	0	114.1	L24 E30 Y43	L24-Y28 HydrophobicContact CD2-CD2 3.77Å; L24-Y28 HydrophobicContact CD2-CE2 3.92Å; L24-Y28 WeakPolarHBondContact O-CA 2.94Å; L24-Y28 PolarHBondContact O-N 2.9Å; Y28-E30 PolarHBondContact O-N 3.24Å; Y28-Y43 AromaticContact CE2-CD1 3.79Å; Y28-Y43 HydrophobicContact CE2-CD1 3.79Å; Y28-Y43 HydrophobicContact CE2-CE1 4.05Å
29	S	82.6	Confident	80.6	Confident	72 Å²	72	67.8 Å²	67.8	50%	0.503	33%	0.334	S	S	.	.	S	Bend	trans	57.7	35.1	-170.7	-52.4	0	0	0	0	112.5	L24 Q25	L24-S29 PolarHBondContact O-N 3.45Å; Q25-S29 WeakPolarHBondContact O-CA 3.5Å; Q25-S29 PolarHBondContact O-N 3.11Å
30	E	76.1	Confident	79.7	Confident	109 Å²	109	68.7 Å²	68.7	51%	0.509	34%	0.344	S	S	.	.			trans	-117.9	135.3	-178.7	-70.4	-175.7	170.8	0	0	111.3	L24 Q25 Y28	L24-E30 CarbonylContact C-O 3.56Å; Q25-E30 PolarHBondContact N-O 3.37Å; Y28-E30 PolarHBondContact O-N 3.24Å
31	F	74.8	Confident	79.5	Confident	80 Å²	80	71 Å²	71	35%	0.351	35%	0.354	S	S	.	.			trans	-106.7	114.7	167.5	-174.6	-108.5	0	0	0	109.8	Q33 A151 K152	F31-Q33 HydrophobicContact CE1-CB 4.03Å; F31-Q33 HydrophobicContact CE1-CG 4.46Å; F31-A151 HydrophobicContact CD2-CB 4.33Å; F31-A151 WeakPolarHBondContact CD2-O 3.34Å; F31-A151 HydrophobicContact CE2-CB 4.18Å; F31-K152 HydrophobicContact CE1-CB 4.33Å; F31-K152 HydrophobicContact CE1-CG 4.01Å; F31-K152 HydrophobicContact CE2-CB 4.03Å; F31-K152 HydrophobicContact CZ-CB 3.9Å; F31-K152 HydrophobicContact CZ-CG 4.06Å
32	I	75.2	Confident	79.3	Confident	84 Å²	84	73.4 Å²	73.4	43%	0.431	37%	0.371	S	S	.	.			trans	-95.6	119	170.7	-54.3	-177.4	0	0	0	107.8	L24 D34	L24-I32 HydrophobicContact CD1-CD1 3.71Å; L24-I32 HydrophobicContact CD1-CG1 4.16Å; I32-D34 HydrophobicContact CG2-CB 4.47Å
33	Q	70.2	Confident	79.4	Confident	158 Å²	158	75.1 Å²	75.1	74%	0.738	38%	0.378	S	S	*	.			trans	-77.1	-33.4	-179.5	-175.8	171.4	-6.1	0	0	112.1	F31 Y35	F31-Q33 HydrophobicContact CE1-CB 4.03Å; F31-Q33 HydrophobicContact CE1-CG 4.46Å; Q33-Y35 PolarHBondContact O-N 3.28Å
34	D	72.5	Confident	79.6	Confident	139 Å²	139	83 Å²	83	74%	0.743	41%	0.407	S	S	*	.	S	Bend	trans	-72.6	127.1	178.9	-64.4	-32.2	0	0	0	110.3	I32	I32-D34 HydrophobicContact CG2-CB 4.47Å
35	Y	64.2	Low	79.8	Confident	136 Å²	136	85.2 Å²	85.2	53%	0.533	41%	0.414	S	S	.	.			trans	-95.7	118.4	-179	174.8	-101.8	0	0	0	110.7	G16 Q33 P37	G16-Y35 PolarHBondContact N-OH 3.06Å; Q33-Y35 PolarHBondContact O-N 3.28Å; Y35-P37 HydrophobicContact CE1-CG 3.92Å
36	E	69.4	Low	80	Confident	163 Å²	163	92.3 Å²	92.3	76%	0.762	45%	0.445	S	S	*	.			trans	-111.7	133.1	163.7	-65.5	-166.8	157.3	0	0	110	T38	E36-T38 PolarHBondContact O-N 2.95Å; E36-T38 VanDerWaalsContact O-N 3.14Å
37	P	72.3	Confident	80.1	Confident	80 Å²	80	94 Å²	94	52%	0.519	45%	0.453	S	S	.	.			trans	-58.7	117.1	173.3	-25.4	34.2	0	0	0	112.6	Y35	Y35-P37 HydrophobicContact CE1-CG 3.92Å
38	T	68.3	Low	80	Confident	25 Å²	25	98.1 Å²	98.1	15%	0.153	48%	0.478	C	S	.	.			trans	-73.1	134.1	176.6	-57.7	0	0	0	0	111.5	S20 E36 N41 A62	S20-T38 PolarHBondContact OG-OG1 2.74Å; E36-T38 PolarHBondContact O-N 2.95Å; E36-T38 VanDerWaalsContact O-N 3.14Å; T38-N41 HydrophobicContact CG2-CB 4.46Å; T38-A62 VanDerWaalsContact O-CA 3.29Å; T38-A62 WeakPolarHBondContact O-CA 3.49Å; T38-A62 WeakPolarHBondContact O-CB 3.32Å
39	K	68	Low	79.9	Confident	143 Å²	143	92.8 Å²	92.8	62%	0.622	46%	0.459	S	S	*	.	S	Bend	trans	-79.1	-61.5	168.5	-63.6	-172.2	176.1	176.4	0	111.1	A62 Y67	K39-A62 WeakPolarHBondContact O-CB 3.48Å; K39-A62 PolarHBondContact O-N 3.48Å; K39-Y67 HydrophobicContact CB-CE1 4.09Å; K39-Y67 HydrophobicContact CD-CE1 4.41Å; K39-Y67 HydrophobicContact CG-CE1 4.08Å
40	A	73.5	Confident	79.9	Confident	29 Å²	29	95.9 Å²	95.9	24%	0.24	47%	0.469	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	134.4	162.7	0	0	0	0	0	106.6	D60 F74	A40-D60 CarbonylContact C-O 3.46Å; A40-D60 WeakPolarHBondContact CA-O 3.38Å; A40-F74 HydrophobicContact CB-CD2 4.4Å; A40-F74 HydrophobicContact CB-CE2 3.51Å; A40-F74 HydrophobicContact CB-CZ 4.13Å
41	N	85	Confident	80.4	Confident	73 Å²	73	93.6 Å²	93.6	39%	0.39	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	145.8	178.2	-74.6	-42.2	0	0	0	109.9	T38 Y43 D60	T38-N41 HydrophobicContact CG2-CB 4.46Å; N41-Y43 HydrophobicContact CB-CD2 4.27Å; N41-Y43 HydrophobicContact CB-CE2 3.47Å; N41-Y43 VanDerWaalsContact CB-CE2 3.47Å; N41-D60 PolarHBondContact N-O 2.85Å; N41-D60 PolarHBondContact O-N 2.81Å
42	S	88.1	Confident	81.1	Confident	78 Å²	78	91.6 Å²	91.6	55%	0.545	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.8	174.1	-177.4	0	0	0	0	109.5	I58	S42-I58 CarbonylContact C-O 3.59Å; S42-I58 WeakPolarHBondContact CA-O 3.48Å
43	Y	92.9	Very high	81.9	Confident	39 Å²	39	88.9 Å²	88.9	15%	0.153	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	156.7	177.9	-57.9	-88	0	0	0	109.9	T23 L24 V27 Y28 N41 I58 D60	T23-Y43 HydrophobicContact CG2-CD2 3.33Å; T23-Y43 HydrophobicContact CG2-CE2 3.83Å; T23-Y43 HydrophobicContact CG2-CG 3.84Å; L24-Y43 HydrophobicContact CD2-CD1 4.29Å; L24-Y43 HydrophobicContact CD2-CE1 3.58Å; V27-Y43 HydrophobicContact CG2-CG 4.48Å; Y28-Y43 AromaticContact CE2-CD1 3.79Å; Y28-Y43 HydrophobicContact CE2-CD1 3.79Å; Y28-Y43 HydrophobicContact CE2-CE1 4.05Å; N41-Y43 HydrophobicContact CB-CD2 4.27Å; N41-Y43 HydrophobicContact CB-CE2 3.47Å; N41-Y43 VanDerWaalsContact CB-CE2 3.47Å; Y43-I58 PolarHBondContact N-O 3.03Å; Y43-I58 PolarHBondContact O-N 3.34Å; Y43-D60 HydrophobicContact CD2-CB 4.27Å; Y43-D60 HydrophobicContact CE2-CB 3.9Å
44	R	94.6	Very high	83.1	Confident	164 Å²	164	81.3 Å²	81.3	62%	0.619	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.1	132.9	178.8	-56.9	-172.7	-169.2	154	5.6	111.2	F56 D57	R44-F56 CarbonylContact C-O 3.55Å; R44-F56 VanDerWaalsContact CA-O 3.24Å; R44-F56 WeakPolarHBondContact CA-O 3.23Å; R44-D57 WeakPolarHBondContact CD-OD1 3Å; R44-D57 WeakPolarHBondContact CG-OD1 3.27Å; R44-D57 IonicContact NE-OD1 3.82Å
45	R	93.7	Very high	84.2	Confident	69 Å²	69	75.7 Å²	75.7	26%	0.26	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	125.5	170	-176.2	169.2	-176.1	-168.2	3.9	110.5	F26 M47 F56	F26-R45 HydrophobicContact CD1-CB 4.33Å; F26-R45 HydrophobicContact CE1-CB 3.75Å; F26-R45 HydrophobicContact CE1-CG 4.19Å; F26-R45 HydrophobicContact CZ-CB 4.43Å; F26-R45 HydrophobicContact CZ-CG 4.48Å; F26-R45 WeakPolarHBondContact O-CD 3.47Å; F26-R45 PolarHBondContact O-NE 3.27Å; F26-R45 PolarHBondContact O-NH1 3.07Å; R45-M47 HydrophobicContact CG-CE 4.01Å; R45-F56 PolarHBondContact N-O 2.9Å; R45-F56 PolarHBondContact O-N 3.25Å
46	K	93.4	Very high	85.7	Confident	152 Å²	152	69.2 Å²	69.2	66%	0.661	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.1	139.1	171	-67.3	179.8	179.3	177	0	109.7	L54 Q55	K46-L54 WeakPolarHBondContact CA-O 3.47Å; K46-Q55 HydrophobicContact CG-CB 4.24Å; K46-Q55 HydrophobicContact CG-CG 4.06Å
47	M	90.8	Very high	87	Confident	36 Å²	36	62.8 Å²	62.8	18%	0.177	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	167.2	172.9	62.1	176.8	68.2	0	0	110.9	F26 R45 L54 F56 L167 L171	F26-M47 HydrophobicContact CE1-CE 4.33Å; F26-M47 HydrophobicContact CE2-CE 3.52Å; F26-M47 HydrophobicContact CZ-CE 3.31Å; R45-M47 HydrophobicContact CG-CE 4.01Å; M47-L54 PolarHBondContact N-O 3.4Å; M47-L54 PolarHBondContact O-N 2.95Å; M47-L54 VanDerWaalsContact O-O 3.08Å; M47-F56 HydrophobicContact CE-CD2 4.09Å; M47-F56 HydrophobicContact CE-CE2 4.02Å; M47-F56 HydrophobicContact CG-CD2 3.99Å; M47-F56 HydrophobicContact CG-CE2 3.58Å; M47-F56 HydrophobicContact SD-CD2 4.09Å; M47-F56 HydrophobicContact SD-CE2 3.45Å; M47-F56 WeakPolarHBondContact SD-CE2 3.31Å; M47-F56 HydrophobicContact SD-CZ 4.17Å; M47-L167 HydrophobicContact CE-CD1 4.43Å; M47-L171 HydrophobicContact SD-CD2 3.67Å
48	T	87.9	Confident	88.1	Confident	103 Å²	103	59 Å²	59	63%	0.632	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	122.8	173.1	-57.3	0	0	0	0	108.4	V52	T48-V52 WeakPolarHBondContact CA-O 3.42Å
49	L	83.9	Confident	89.2	Confident	17 Å²	17	58.3 Å²	58.3	9%	0.089	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	121.9	176.5	-176.4	68.3	0	0	0	108.5	G51 V52 L54 L171	L49-G51 PolarHBondContact O-N 3.23Å; L49-V52 PolarHBondContact N-O 2.99Å; L49-V52 WeakPolarHBondContact O-CB 3.5Å; L49-V52 PolarHBondContact O-N 2.88Å; L49-L54 HydrophobicContact CB-CD1 3.69Å; L49-L54 HydrophobicContact CB-CG 4.45Å; L49-L54 HydrophobicContact CD2-CD1 3.96Å; L49-L54 HydrophobicContact CG-CD1 4.48Å; L49-L171 HydrophobicContact CD1-CD2 4.18Å; L49-L171 HydrophobicContact CD2-CD2 4.17Å
50	D	83.9	Confident	90.2	Very high	136 Å²	136	51.5 Å²	51.5	73%	0.727	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	40.5	-178.5	-49.9	-39.8	0	0	0	113.2	V52	D50-V52 PolarHBondContact O-N 2.84Å
51	G	86.7	Confident	90.7	Very high	62 Å²	62	50.2 Å²	50.2	64%	0.639	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.8	-3.7	-176.8	0	0	0	0	0	115.1	L49	L49-G51 PolarHBondContact O-N 3.23Å
52	V	87.6	Confident	90.4	Very high	38 Å²	38	46.9 Å²	46.9	23%	0.23	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	121	178.7	-176.3	0	0	0	0	109.9	T48 L49 D50 L54	T48-V52 WeakPolarHBondContact CA-O 3.42Å; L49-V52 PolarHBondContact N-O 2.99Å; L49-V52 WeakPolarHBondContact O-CB 3.5Å; L49-V52 PolarHBondContact O-N 2.88Å; D50-V52 PolarHBondContact O-N 2.84Å; V52-L54 HydrophobicContact CG1-CD2 3.93Å; V52-L54 PolarHBondContact O-N 3.01Å
53	P	93.1	Very high	89.1	Confident	26 Å²	26	44 Å²	44	17%	0.169	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126	173.4	28.5	-32.8	0	0	0	110.1	Q2 P4 T5	Q2-P53 HydrophobicContact CB-CG 4.16Å; Q2-P53 HydrophobicContact CG-CG 4.14Å; P4-P53 CarbonylContact C-O 3.58Å; P4-P53 VanDerWaalsContact CA-O 3.24Å; P4-P53 WeakPolarHBondContact CA-O 3.39Å; P4-P53 HydrophobicContact CB-CB 4.15Å; T5-P53 PolarHBondContact N-O 3.02Å
54	L	94.6	Very high	87.9	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.3	-180	-59.7	-178.9	0	0	0	110.7	T5 L7 K46 M47 L49 V52 F56	T5-L54 WeakPolarHBondContact O-CA 3.46Å; L7-L54 HydrophobicContact CD1-CD1 4.13Å; L7-L54 HydrophobicContact CD1-CD2 4.36Å; K46-L54 WeakPolarHBondContact CA-O 3.47Å; M47-L54 PolarHBondContact N-O 3.4Å; M47-L54 PolarHBondContact O-N 2.95Å; M47-L54 VanDerWaalsContact O-O 3.08Å; L49-L54 HydrophobicContact CB-CD1 3.69Å; L49-L54 HydrophobicContact CB-CG 4.45Å; L49-L54 HydrophobicContact CD2-CD1 3.96Å; L49-L54 HydrophobicContact CG-CD1 4.48Å; V52-L54 HydrophobicContact CG1-CD2 3.93Å; V52-L54 PolarHBondContact O-N 3.01Å; L54-F56 HydrophobicContact CB-CD2 4.44Å; L54-F56 HydrophobicContact CB-CE2 3.93Å; L54-F56 HydrophobicContact CD1-CE2 4.07Å; L54-F56 HydrophobicContact CD1-CZ 4.14Å
55	Q	96	Very high	86.3	Confident	21 Å²	21	42.7 Å²	42.7	10%	0.098	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	116.2	166.3	-176.9	180	-71.3	0	0	108.8	P4 T5 I6 L7 K46 D57	P4-Q55 HydrophobicContact CB-CB 4.19Å; P4-Q55 HydrophobicContact CG-CB 4.3Å; T5-Q55 PolarHBondContact O-N 3.44Å; I6-Q55 CarbonylContact C-O 3.56Å; I6-Q55 WeakPolarHBondContact CA-O 3.37Å; I6-Q55 HydrophobicContact CG1-CB 4.32Å; L7-Q55 PolarHBondContact N-O 3.42Å; K46-Q55 HydrophobicContact CG-CB 4.24Å; K46-Q55 HydrophobicContact CG-CG 4.06Å; Q55-D57 WeakPolarHBondContact CG-OD1 3.44Å; Q55-D57 PolarHBondContact NE2-OD1 2.78Å; Q55-D57 PolarHBondContact O-N 3.23Å
56	F	96.5	Very high	84.7	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	109.6	172.6	-68.7	-98.9	0	0	0	108.1	L7 I9 F26 R44 R45 M47 L54 I58 F170 L171	L7-F56 HydrophobicContact CD1-CD1 4.47Å; L7-F56 HydrophobicContact CD1-CE1 3.93Å; L7-F56 HydrophobicContact CD1-CZ 3.97Å; I9-F56 HydrophobicContact CD1-CD1 3.57Å; I9-F56 HydrophobicContact CD1-CE1 4.09Å; F26-F56 HydrophobicContact CE1-CB 3.91Å; F26-F56 HydrophobicContact CE1-CD1 4.42Å; F26-F56 HydrophobicContact CE1-CG 4.03Å; F26-F56 HydrophobicContact CZ-CB 4.25Å; F26-F56 HydrophobicContact CZ-CD1 4.1Å; F26-F56 HydrophobicContact CZ-CD2 4.05Å; F26-F56 HydrophobicContact CZ-CE2 4.49Å; F26-F56 AromaticContact CZ-CG 3.85Å; F26-F56 HydrophobicContact CZ-CG 3.85Å; R44-F56 CarbonylContact C-O 3.55Å; R44-F56 VanDerWaalsContact CA-O 3.24Å; R44-F56 WeakPolarHBondContact CA-O 3.23Å; R45-F56 PolarHBondContact N-O 2.9Å; R45-F56 PolarHBondContact O-N 3.25Å; M47-F56 HydrophobicContact CE-CD2 4.09Å; M47-F56 HydrophobicContact CE-CE2 4.02Å; M47-F56 HydrophobicContact CG-CD2 3.99Å; M47-F56 HydrophobicContact CG-CE2 3.58Å; M47-F56 HydrophobicContact SD-CD2 4.09Å; M47-F56 HydrophobicContact SD-CE2 3.45Å; M47-F56 WeakPolarHBondContact SD-CE2 3.31Å; M47-F56 HydrophobicContact SD-CZ 4.17Å; L54-F56 HydrophobicContact CB-CD2 4.44Å; L54-F56 HydrophobicContact CB-CE2 3.93Å; L54-F56 HydrophobicContact CD1-CE2 4.07Å; L54-F56 HydrophobicContact CD1-CZ 4.14Å; F56-I58 HydrophobicContact CB-CD1 4.32Å; F56-I58 HydrophobicContact CB-CG1 4.24Å; F56-F170 HydrophobicContact CE1-CB 4.46Å; F56-F170 VanDerWaalsContact CE1-O 3.28Å; F56-F170 WeakPolarHBondContact CE1-O 3.36Å; F56-L171 HydrophobicContact CZ-CD2 4.16Å
57	D	96	Very high	83.2	Confident	27 Å²	27	42 Å²	42	14%	0.144	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	99.7	169.6	-79.9	9.9	0	0	0	107.3	I6 L7 R8 I9 R44 Q55	I6-D57 HydrophobicContact CG2-CB 4.22Å; L7-D57 PolarHBondContact O-N 3.09Å; R8-D57 WeakPolarHBondContact CA-O 3.39Å; R8-D57 HydrophobicContact CG-CB 4.31Å; I9-D57 PolarHBondContact N-O 3.38Å; R44-D57 WeakPolarHBondContact CD-OD1 3Å; R44-D57 WeakPolarHBondContact CG-OD1 3.27Å; R44-D57 IonicContact NE-OD1 3.82Å; Q55-D57 WeakPolarHBondContact CG-OD1 3.44Å; Q55-D57 PolarHBondContact NE2-OD1 2.78Å; Q55-D57 PolarHBondContact O-N 3.23Å
58	I	95	Very high	82	Confident	0 Å²	0	47 Å²	47	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124	-174.3	-59.9	162.1	0	0	0	108.8	I11 T23 F26 V27 S42 Y43 F56 F170	I11-I58 HydrophobicContact CD1-CG2 3.88Å; I11-I58 HydrophobicContact CG1-CG2 3.93Å; T23-I58 HydrophobicContact CG2-CB 4.3Å; T23-I58 HydrophobicContact CG2-CG2 3.69Å; F26-I58 HydrophobicContact CD1-CD1 3.24Å; F26-I58 HydrophobicContact CE1-CD1 3.4Å; F26-I58 HydrophobicContact CG-CD1 4.38Å; V27-I58 HydrophobicContact CG2-CD1 3.92Å; S42-I58 CarbonylContact C-O 3.59Å; S42-I58 WeakPolarHBondContact CA-O 3.48Å; Y43-I58 PolarHBondContact N-O 3.03Å; Y43-I58 PolarHBondContact O-N 3.34Å; F56-I58 HydrophobicContact CB-CD1 4.32Å; F56-I58 HydrophobicContact CB-CG1 4.24Å; I58-F170 HydrophobicContact CD1-CD1 3.7Å; I58-F170 HydrophobicContact CD1-CE1 3.33Å; I58-F170 HydrophobicContact CD1-CZ 4.03Å; I58-F170 HydrophobicContact CG1-CD1 4.18Å; I58-F170 HydrophobicContact CG1-CE1 3.8Å; I58-F170 HydrophobicContact CG2-CE1 4.11Å
59	L	92.7	Very high	81.2	Confident	12 Å²	12	45 Å²	45	6%	0.063	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	114	169.1	-178.8	82.5	0	0	0	109.6	I9 A10 I11 T61 F74	I9-L59 PolarHBondContact O-N 3Å; A10-L59 WeakPolarHBondContact CA-O 3.19Å; A10-L59 HydrophobicContact CB-CD2 4.22Å; I11-L59 PolarHBondContact N-O 3.41Å; L59-T61 HydrophobicContact CD2-CG2 3.64Å; L59-T61 HydrophobicContact CG-CG2 4.01Å; L59-F74 HydrophobicContact CD1-CD1 3.59Å; L59-F74 HydrophobicContact CD1-CD2 4.02Å; L59-F74 HydrophobicContact CD1-CE1 3.47Å; L59-F74 VanDerWaalsContact CD1-CE1 3.47Å; L59-F74 HydrophobicContact CD1-CE2 3.87Å; L59-F74 HydrophobicContact CD1-CG 3.91Å; L59-F74 HydrophobicContact CD1-CZ 3.63Å; L59-F74 HydrophobicContact CD2-CB 3.15Å; L59-F74 HydrophobicContact CD2-CD1 3.45Å; L59-F74 VanDerWaalsContact CD2-CD1 3.45Å; L59-F74 HydrophobicContact CD2-CD2 3.61Å; L59-F74 HydrophobicContact CD2-CE1 4.22Å; L59-F74 HydrophobicContact CD2-CE2 4.31Å; L59-F74 HydrophobicContact CD2-CG 3.11Å; L59-F74 HydrophobicContact CG-CD1 4.14Å; L59-F74 HydrophobicContact CG-CD2 4.35Å; L59-F74 HydrophobicContact CG-CE1 4.48Å; L59-F74 HydrophobicContact CG-CG 4.11Å
60	D	88.9	Confident	80.7	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	115	170.1	-176.8	25.4	0	0	0	109.3	K19 S20 T23 A40 N41 Y43	K19-D60 WeakPolarHBondContact CB-OD1 3.27Å; S20-D60 VanDerWaalsContact CA-OD2 3.31Å; S20-D60 WeakPolarHBondContact CA-OD2 3.38Å; S20-D60 WeakPolarHBondContact CB-OD2 3.4Å; S20-D60 PolarHBondContact OG-OD1 3.16Å; S20-D60 PolarHBondContact OG-OD2 2.6Å; T23-D60 HydrophobicContact CG2-CB 4.48Å; A40-D60 CarbonylContact C-O 3.46Å; A40-D60 WeakPolarHBondContact CA-O 3.38Å; N41-D60 PolarHBondContact N-O 2.85Å; N41-D60 PolarHBondContact O-N 2.81Å; Y43-D60 HydrophobicContact CD2-CB 4.27Å; Y43-D60 HydrophobicContact CE2-CB 3.9Å
61	T	82.8	Confident	80.4	Confident	2 Å²	2	42.4 Å²	42.4	1%	0.012	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	149.8	-171.6	67.4	0	0	0	0	112.6	I11 V12 K19 L59 G63	I11-T61 WeakPolarHBondContact O-CB 3.36Å; I11-T61 WeakPolarHBondContact O-CG2 3.42Å; I11-T61 PolarHBondContact O-OG1 2.73Å; V12-T61 HydrophobicContact CG1-CG2 4.48Å; K19-T61 WeakPolarHBondContact CE-O 3.36Å; L59-T61 HydrophobicContact CD2-CG2 3.64Å; L59-T61 HydrophobicContact CG-CG2 4.01Å; T61-G63 PolarHBondContact O-N 3.16Å
62	A	78.4	Confident	80.3	Confident	2 Å²	2	42.1 Å²	42.1	2%	0.017	22%	0.224	C	C	.	.			trans	-57.3	134.3	164.1	0	0	0	0	0	110.7	T38 K39 Q64 Y67	T38-A62 VanDerWaalsContact O-CA 3.29Å; T38-A62 WeakPolarHBondContact O-CA 3.49Å; T38-A62 WeakPolarHBondContact O-CB 3.32Å; K39-A62 WeakPolarHBondContact O-CB 3.48Å; K39-A62 PolarHBondContact O-N 3.48Å; A62-Q64 PolarHBondContact O-N 2.67Å; A62-Y67 HydrophobicContact CB-CD2 3.47Å; A62-Y67 VanDerWaalsContact CB-CD2 3.47Å; A62-Y67 HydrophobicContact CB-CE2 4.23Å; A62-Y67 HydrophobicContact CB-CG 3.82Å
63	G	62.6	Low	80.3	Confident	17 Å²	17	47.2 Å²	47.2	18%	0.175	24%	0.24	C	C	.	.	S	Bend	trans	-76.2	-9.2	170.1	0	0	0	0	0	114	G13 T61	G13-G63 WeakPolarHBondContact O-CA 3.36Å; T61-G63 PolarHBondContact O-N 3.16Å
64	Q	65.8	Low	79.9	Confident	92 Å²	92	47.9 Å²	47.9	43%	0.43	24%	0.24	S	C	.	.	S	Bend	trans	-92.8	147.8	-174.3	-66.1	179.9	-8.6	0	0	112.5	A62 D66 Y67 R71	A62-Q64 PolarHBondContact O-N 2.67Å; Q64-D66 VanDerWaalsContact C-N 3.29Å; Q64-D66 PolarHBondContact O-N 2.94Å; Q64-Y67 HydrophobicContact CB-CD2 4.36Å; Q64-R71 PolarHBondContact O-NH1 3.17Å
65	E	61.5	Low	79.8	Confident	85 Å²	85	47.9 Å²	47.9	40%	0.397	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-70	-19.9	-177.7	-70.3	-56.9	111.2	0	0	114.5	Y67 R68 R71	E65-Y67 PolarHBondContact O-N 2.84Å; E65-Y67 VanDerWaalsContact O-N 3.15Å; E65-R68 WeakPolarHBondContact O-CB 3.24Å; E65-R68 WeakPolarHBondContact O-CG 3.32Å; E65-R68 PolarHBondContact O-N 3.47Å; E65-R68 VanDerWaalsContact O-N 3.16Å; E65-R68 PolarHBondContact O-NE 3.46Å; E65-R68 VanDerWaalsContact OE2-CD 3.26Å; E65-R68 WeakPolarHBondContact OE2-CD 3.15Å; E65-R68 IonicContact OE2-NE 2.94Å; E65-R68 IonicContact OE2-NH1 2.81Å; E65-R71 IonicContact OE1-CZ 3.23Å; E65-R71 IonicContact OE1-NH1 2.93Å; E65-R71 PolarHBondContact OE1-NH1 2.92Å; E65-R71 IonicContact OE1-NH2 3Å; E65-R71 PolarHBondContact OE1-NH2 3.02Å; E65-R71 IonicContact OE2-NH2 3.34Å; E65-R71 PolarHBondContact OE2-NH2 3.43Å
66	D	60	Low	79.6	Confident	142 Å²	142	54.1 Å²	54.1	76%	0.759	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-64.5	-20.3	-179.1	-63.1	-31.8	0	0	0	112.9	Q64	Q64-D66 VanDerWaalsContact C-N 3.29Å; Q64-D66 PolarHBondContact O-N 2.94Å
67	Y	62.4	Low	79.4	Confident	63 Å²	63	57.4 Å²	57.4	25%	0.247	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-96.2	14.7	-180	-61.8	-81.4	0	0	0	113.6	K39 A62 Q64 E65 G69 I70 R71	K39-Y67 HydrophobicContact CB-CE1 4.09Å; K39-Y67 HydrophobicContact CD-CE1 4.41Å; K39-Y67 HydrophobicContact CG-CE1 4.08Å; A62-Y67 HydrophobicContact CB-CD2 3.47Å; A62-Y67 VanDerWaalsContact CB-CD2 3.47Å; A62-Y67 HydrophobicContact CB-CE2 4.23Å; A62-Y67 HydrophobicContact CB-CG 3.82Å; Q64-Y67 HydrophobicContact CB-CD2 4.36Å; E65-Y67 PolarHBondContact O-N 2.84Å; E65-Y67 VanDerWaalsContact O-N 3.15Å; Y67-G69 PolarHBondContact O-N 3.21Å; Y67-I70 HydrophobicContact CD1-CD1 4.3Å; Y67-I70 PolarHBondContact O-N 2.93Å; Y67-I70 VanDerWaalsContact O-N 3.09Å; Y67-R71 WeakPolarHBondContact O-CG 3.49Å; Y67-R71 PolarHBondContact O-N 3Å
68	R	64.9	Low	79.4	Confident	142 Å²	142	56.2 Å²	56.2	54%	0.536	28%	0.278	S	S	.	.	H	α-helix	trans	-44.7	-54.8	-178.2	-93.2	-179	-68.2	-170.3	8.8	114.5	E65 I70 R71 D72	E65-R68 WeakPolarHBondContact O-CB 3.24Å; E65-R68 WeakPolarHBondContact O-CG 3.32Å; E65-R68 PolarHBondContact O-N 3.47Å; E65-R68 VanDerWaalsContact O-N 3.16Å; E65-R68 PolarHBondContact O-NE 3.46Å; E65-R68 VanDerWaalsContact OE2-CD 3.26Å; E65-R68 WeakPolarHBondContact OE2-CD 3.15Å; E65-R68 IonicContact OE2-NE 2.94Å; E65-R68 IonicContact OE2-NH1 2.81Å; R68-I70 VanDerWaalsContact C-N 3.26Å; R68-I70 PolarHBondContact O-N 3.04Å; R68-R71 WeakPolarHBondContact O-CA 3.28Å; R68-R71 WeakPolarHBondContact O-CB 3.45Å; R68-R71 PolarHBondContact O-N 3.03Å; R68-D72 PolarHBondContact O-N 3Å; R68-D72 VanDerWaalsContact O-OD1 3.1Å
69	G	71.7	Confident	79.5	Confident	61 Å²	61	58.4 Å²	58.4	63%	0.629	29%	0.288	S	S	*	.	H	α-helix	trans	-61.5	-32.9	-176.6	0	0	0	0	0	114	Y67	Y67-G69 PolarHBondContact O-N 3.21Å
70	I	73.3	Confident	79.7	Confident	92 Å²	92	57.8 Å²	57.8	47%	0.472	29%	0.285	S	S	.	.	H	α-helix	trans	-73.7	-39	175.1	-69	169.1	0	0	0	110.2	Y67 R68 D72 Y73 F74	Y67-I70 HydrophobicContact CD1-CD1 4.3Å; Y67-I70 PolarHBondContact O-N 2.93Å; Y67-I70 VanDerWaalsContact O-N 3.09Å; R68-I70 VanDerWaalsContact C-N 3.26Å; R68-I70 PolarHBondContact O-N 3.04Å; I70-D72 VanDerWaalsContact C-N 3.32Å; I70-D72 PolarHBondContact O-N 3.09Å; I70-Y73 PolarHBondContact O-N 3.47Å; I70-F74 HydrophobicContact CG2-CD2 3.57Å; I70-F74 HydrophobicContact CG2-CE2 3.14Å; I70-F74 HydrophobicContact CG2-CZ 4.06Å; I70-F74 WeakPolarHBondContact O-CD2 3.21Å; I70-F74 WeakPolarHBondContact O-CG 3.49Å; I70-F74 PolarHBondContact O-N 3.23Å
71	R	77.6	Confident	80.1	Confident	6 Å²	6	57.8 Å²	57.8	2%	0.023	29%	0.285	C	S	.	.	H	α-helix	trans	-60.2	-39	175.5	-65.8	-173.1	-52.5	-169.4	10.1	112.1	Q64 E65 Y67 R68 Y73 F74 F75	Q64-R71 PolarHBondContact O-NH1 3.17Å; E65-R71 IonicContact OE1-CZ 3.23Å; E65-R71 IonicContact OE1-NH1 2.93Å; E65-R71 PolarHBondContact OE1-NH1 2.92Å; E65-R71 IonicContact OE1-NH2 3Å; E65-R71 PolarHBondContact OE1-NH2 3.02Å; E65-R71 IonicContact OE2-NH2 3.34Å; E65-R71 PolarHBondContact OE2-NH2 3.43Å; Y67-R71 WeakPolarHBondContact O-CG 3.49Å; Y67-R71 PolarHBondContact O-N 3Å; R68-R71 WeakPolarHBondContact O-CA 3.28Å; R68-R71 WeakPolarHBondContact O-CB 3.45Å; R68-R71 PolarHBondContact O-N 3.03Å; R71-Y73 PolarHBondContact O-N 2.85Å; R71-F74 CarbonylContact O-C 3.57Å; R71-F74 WeakPolarHBondContact O-CB 3.34Å; R71-F74 PolarHBondContact O-N 3.38Å; R71-F74 VanDerWaalsContact O-N 3.16Å; R71-F75 HydrophobicContact CB-CE1 4.23Å; R71-F75 HydrophobicContact CB-CZ 4.25Å; R71-F75 WeakPolarHBondContact O-CB 3.29Å; R71-F75 VanDerWaalsContact O-CD1 3.23Å; R71-F75 WeakPolarHBondContact O-CD1 3.48Å; R71-F75 VanDerWaalsContact O-CG 3.27Å; R71-F75 WeakPolarHBondContact O-CG 3.43Å; R71-F75 PolarHBondContact O-N 2.96Å
72	D	85.9	Confident	80.9	Confident	56 Å²	56	57.8 Å²	57.8	30%	0.299	29%	0.285	S	S	.	.	H	α-helix	trans	-63.1	-44.4	-178.5	-67.7	8.8	0	0	0	112.2	R68 I70 F74 F75 K76 H102 I106	R68-D72 PolarHBondContact O-N 3Å; R68-D72 VanDerWaalsContact O-OD1 3.1Å; I70-D72 VanDerWaalsContact C-N 3.32Å; I70-D72 PolarHBondContact O-N 3.09Å; D72-F74 VanDerWaalsContact C-N 3.27Å; D72-F74 PolarHBondContact O-N 2.85Å; D72-F75 PolarHBondContact O-N 2.77Å; D72-K76 WeakPolarHBondContact O-CB 3.21Å; D72-K76 PolarHBondContact O-N 2.85Å; D72-H102 IonicContact OD1-CE1 3.19Å; D72-H102 PolarHBondContact OD1-CE1 2.98Å; D72-H102 IonicContact OD1-NE2 2.84Å; D72-H102 PolarHBondContact OD1-NE2 3.24Å; D72-I106 HydrophobicContact CB-CD1 4.12Å
73	Y	86.3	Confident	81.8	Confident	145 Å²	145	57.7 Å²	57.7	57%	0.569	28%	0.284	S	S	*	.	H	α-helix	trans	-58.8	-44.1	174.5	171.9	-102.9	0	0	0	111	I70 R71 K76 I77	I70-Y73 PolarHBondContact O-N 3.47Å; R71-Y73 PolarHBondContact O-N 2.85Å; Y73-K76 WeakPolarHBondContact O-CB 3.29Å; Y73-K76 PolarHBondContact O-N 2.84Å; Y73-I77 HydrophobicContact CE1-CD1 4.02Å; Y73-I77 HydrophobicContact CE2-CG2 4.18Å; Y73-I77 PolarHBondContact O-N 3.4Å
74	F	85.8	Confident	83.4	Confident	40 Å²	40	56.9 Å²	56.9	18%	0.175	28%	0.276	C	S	.	.	H	α-helix	trans	-65.5	-44.5	178.8	-78.5	-38.2	0	0	0	113.4	A40 L59 I70 R71 D72 K76 I77 S78	A40-F74 HydrophobicContact CB-CD2 4.4Å; A40-F74 HydrophobicContact CB-CE2 3.51Å; A40-F74 HydrophobicContact CB-CZ 4.13Å; L59-F74 HydrophobicContact CD1-CD1 3.59Å; L59-F74 HydrophobicContact CD1-CD2 4.02Å; L59-F74 HydrophobicContact CD1-CE1 3.47Å; L59-F74 VanDerWaalsContact CD1-CE1 3.47Å; L59-F74 HydrophobicContact CD1-CE2 3.87Å; L59-F74 HydrophobicContact CD1-CG 3.91Å; L59-F74 HydrophobicContact CD1-CZ 3.63Å; L59-F74 HydrophobicContact CD2-CB 3.15Å; L59-F74 HydrophobicContact CD2-CD1 3.45Å; L59-F74 VanDerWaalsContact CD2-CD1 3.45Å; L59-F74 HydrophobicContact CD2-CD2 3.61Å; L59-F74 HydrophobicContact CD2-CE1 4.22Å; L59-F74 HydrophobicContact CD2-CE2 4.31Å; L59-F74 HydrophobicContact CD2-CG 3.11Å; L59-F74 HydrophobicContact CG-CD1 4.14Å; L59-F74 HydrophobicContact CG-CD2 4.35Å; L59-F74 HydrophobicContact CG-CE1 4.48Å; L59-F74 HydrophobicContact CG-CG 4.11Å; I70-F74 HydrophobicContact CG2-CD2 3.57Å; I70-F74 HydrophobicContact CG2-CE2 3.14Å; I70-F74 HydrophobicContact CG2-CZ 4.06Å; I70-F74 WeakPolarHBondContact O-CD2 3.21Å; I70-F74 WeakPolarHBondContact O-CG 3.49Å; I70-F74 PolarHBondContact O-N 3.23Å; R71-F74 CarbonylContact O-C 3.57Å; R71-F74 WeakPolarHBondContact O-CB 3.34Å; R71-F74 PolarHBondContact O-N 3.38Å; R71-F74 VanDerWaalsContact O-N 3.16Å; D72-F74 VanDerWaalsContact C-N 3.27Å; D72-F74 PolarHBondContact O-N 2.85Å; F74-K76 PolarHBondContact O-N 3.44Å; F74-I77 HydrophobicContact CD1-CD1 4.22Å; F74-I77 VanDerWaalsContact O-CG1 3.31Å; F74-I77 WeakPolarHBondContact O-CG1 3.45Å; F74-I77 PolarHBondContact O-N 2.83Å; F74-I77 VanDerWaalsContact O-N 3.17Å; F74-S78 PolarHBondContact O-N 2.99Å; F74-S78 PolarHBondContact O-OG 2.97Å
75	F	91.6	Very high	84.9	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.7	-36.8	174.8	-69	4.8	0	0	0	110.6	V12 R71 D72 I77 F81 H102 I103 I106 K107	V12-F75 HydrophobicContact CG1-CD1 4.45Å; V12-F75 HydrophobicContact CG1-CE1 3.44Å; V12-F75 VanDerWaalsContact CG1-CE1 3.44Å; V12-F75 HydrophobicContact CG1-CZ 3.72Å; R71-F75 HydrophobicContact CB-CE1 4.23Å; R71-F75 HydrophobicContact CB-CZ 4.25Å; R71-F75 WeakPolarHBondContact O-CB 3.29Å; R71-F75 VanDerWaalsContact O-CD1 3.23Å; R71-F75 WeakPolarHBondContact O-CD1 3.48Å; R71-F75 VanDerWaalsContact O-CG 3.27Å; R71-F75 WeakPolarHBondContact O-CG 3.43Å; R71-F75 PolarHBondContact O-N 2.96Å; D72-F75 PolarHBondContact O-N 2.77Å; F75-I77 VanDerWaalsContact C-N 3.35Å; F75-I77 PolarHBondContact O-N 2.81Å; F75-F81 HydrophobicContact CB-CE1 4.06Å; F75-F81 HydrophobicContact CB-CZ 4.22Å; F75-F81 AromaticContact CD1-CE1 3.76Å; F75-F81 HydrophobicContact CD1-CE1 3.76Å; F75-F81 HydrophobicContact CE1-CE1 4.42Å; F75-F81 AromaticContact CG-CE1 3.94Å; F75-F81 HydrophobicContact CG-CE1 3.94Å; F75-F81 WeakPolarHBondContact O-CZ 3.4Å; F75-H102 AromaticContact CE2-ND1 3.66Å; F75-I103 HydrophobicContact CD2-CG1 3.87Å; F75-I103 HydrophobicContact CE2-CG1 3.85Å; F75-I103 HydrophobicContact CG-CG1 4.34Å; F75-I103 HydrophobicContact CZ-CG1 4.32Å; F75-I106 HydrophobicContact CB-CB 4.3Å; F75-I106 HydrophobicContact CB-CG2 3.88Å; F75-I106 HydrophobicContact CD2-CG1 4.5Å; F75-K107 WeakPolarHBondContact O-CE 3.37Å; F75-K107 PolarHBondContact O-NZ 3.27Å
76	K	92.4	Very high	86.4	Confident	152 Å²	152	48.4 Å²	48.4	66%	0.661	24%	0.236	S	C	*	.	H	α-helix	trans	-60.5	-42.5	176.1	-171.9	176.7	179.8	179.1	0	112	D72 Y73 F74 I106 K107	D72-K76 WeakPolarHBondContact O-CB 3.21Å; D72-K76 PolarHBondContact O-N 2.85Å; Y73-K76 WeakPolarHBondContact O-CB 3.29Å; Y73-K76 PolarHBondContact O-N 2.84Å; F74-K76 PolarHBondContact O-N 3.44Å; K76-I106 HydrophobicContact CB-CG2 4.15Å; K76-K107 PolarHBondContact O-NZ 2.81Å
77	I	91.7	Very high	88	Confident	69 Å²	69	42 Å²	42	35%	0.354	20%	0.202	S	C	.	.	H	α-helix	trans	-86.5	-21.4	-176.8	67.3	169.7	0	0	0	114.9	R8 Y73 F74 F75	R8-I77 WeakPolarHBondContact CD-O 3.36Å; Y73-I77 HydrophobicContact CE1-CD1 4.02Å; Y73-I77 HydrophobicContact CE2-CG2 4.18Å; Y73-I77 PolarHBondContact O-N 3.4Å; F74-I77 HydrophobicContact CD1-CD1 4.22Å; F74-I77 VanDerWaalsContact O-CG1 3.31Å; F74-I77 WeakPolarHBondContact O-CG1 3.45Å; F74-I77 PolarHBondContact O-N 2.83Å; F74-I77 VanDerWaalsContact O-N 3.17Å; F75-I77 VanDerWaalsContact C-N 3.35Å; F75-I77 PolarHBondContact O-N 2.81Å
78	S	95.7	Very high	89.3	Confident	3 Å²	3	42.8 Å²	42.8	2%	0.021	21%	0.21	C	C	.	.			trans	-72.4	134	-178.1	-66.3	0	0	0	0	113	R8 A10 F74 K107	R8-S78 CarbonylContact O-C 3.6Å; A10-S78 VanDerWaalsContact CB-OG 3.28Å; A10-S78 WeakPolarHBondContact CB-OG 3.43Å; F74-S78 PolarHBondContact O-N 2.99Å; F74-S78 PolarHBondContact O-OG 2.97Å; S78-K107 WeakPolarHBondContact O-CE 3.31Å; S78-K107 PolarHBondContact O-NZ 3.23Å
79	E	96.7	Very high	90.6	Very high	45 Å²	45	38.2 Å²	38.2	21%	0.21	20%	0.197	C	C	.	.	S	Bend	trans	-87.4	-24.6	-179.7	-68	154.7	169.7	0	0	112.4	L7 R8 P113 I177 H181	L7-E79 WeakPolarHBondContact CA-OE2 3.24Å; R8-E79 HydrophobicContact CB-CG 4.36Å; R8-E79 PolarHBondContact N-OE2 3.1Å; R8-E79 IonicContact NH1-OE1 2.97Å; R8-E79 PolarHBondContact NH1-OE1 3.06Å; R8-E79 WeakPolarHBondContact O-CA 3.26Å; R8-E79 PolarHBondContact O-N 2.95Å; E79-P113 WeakPolarHBondContact O-CD 3.34Å; E79-P113 WeakPolarHBondContact O-CG 3.39Å; E79-I177 HydrophobicContact CB-CD1 4.33Å; E79-I177 HydrophobicContact CB-CG1 4.36Å; E79-I177 HydrophobicContact CB-CG2 3.79Å; E79-H181 IonicContact OE2-CE1 3.92Å
80	G	98	Very high	91.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	165.9	171.3	0	0	0	0	0	113.4	R8 I9 A10 P113	R8-G80 PolarHBondContact O-N 3.36Å; R8-G80 VanDerWaalsContact O-N 3.16Å; I9-G80 WeakPolarHBondContact CA-O 3.45Å; A10-G80 PolarHBondContact N-O 2.95Å; G80-P113 CarbonylContact C-O 3.35Å; G80-P113 WeakPolarHBondContact CA-O 3.48Å
81	F	98	Very high	92.2	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.3	-173.8	-57.3	-101	0	0	0	112.1	A10 V12 F75 L83 I103 K107 V112 P113 M114 L115	A10-F81 HydrophobicContact CB-CD1 3.75Å; A10-F81 HydrophobicContact CB-CE1 3.91Å; A10-F81 VanDerWaalsContact O-CA 3.29Å; A10-F81 WeakPolarHBondContact O-CA 3.31Å; V12-F81 HydrophobicContact CG1-CD1 4.34Å; F75-F81 HydrophobicContact CB-CE1 4.06Å; F75-F81 HydrophobicContact CB-CZ 4.22Å; F75-F81 AromaticContact CD1-CE1 3.76Å; F75-F81 HydrophobicContact CD1-CE1 3.76Å; F75-F81 HydrophobicContact CE1-CE1 4.42Å; F75-F81 AromaticContact CG-CE1 3.94Å; F75-F81 HydrophobicContact CG-CE1 3.94Å; F75-F81 WeakPolarHBondContact O-CZ 3.4Å; F81-L83 HydrophobicContact CB-CD1 3.84Å; F81-I103 HydrophobicContact CB-CD1 3.98Å; F81-I103 HydrophobicContact CD1-CD1 3.45Å; F81-I103 VanDerWaalsContact CD1-CD1 3.45Å; F81-I103 HydrophobicContact CD1-CG1 3.77Å; F81-I103 HydrophobicContact CD1-CG2 4.19Å; F81-I103 HydrophobicContact CD2-CD1 4.47Å; F81-I103 HydrophobicContact CD2-CG2 3.67Å; F81-I103 HydrophobicContact CE1-CD1 4.02Å; F81-I103 HydrophobicContact CE1-CG1 3.78Å; F81-I103 HydrophobicContact CE1-CG2 4.02Å; F81-I103 HydrophobicContact CE2-CG2 3.51Å; F81-I103 HydrophobicContact CG-CD1 3.72Å; F81-I103 HydrophobicContact CG-CG1 4.26Å; F81-I103 HydrophobicContact CG-CG2 4.02Å; F81-I103 HydrophobicContact CZ-CG1 4.29Å; F81-I103 HydrophobicContact CZ-CG2 3.69Å; F81-K107 HydrophobicContact CE2-CG 4.29Å; F81-K107 HydrophobicContact CZ-CG 4.47Å; F81-V112 HydrophobicContact CD2-CG1 3.59Å; F81-V112 HydrophobicContact CE2-CG1 3.57Å; F81-P113 PolarHBondContact N-O 2.9Å; F81-M114 HydrophobicContact CB-CG 4.14Å; F81-M114 HydrophobicContact CD2-CG 4.45Å; F81-M114 VanDerWaalsContact O-CA 3.31Å; F81-M114 WeakPolarHBondContact O-CA 3.48Å; F81-L115 PolarHBondContact O-N 3.18Å
82	I	98.3	Very high	93	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.3	169.4	-59.3	167.4	0	0	0	107.3	I9 A10 I11 V12 V84 V117 V169 F170 I173	I9-I82 HydrophobicContact CG2-CD1 3.8Å; I9-I82 HydrophobicContact CG2-CG1 3.94Å; A10-I82 PolarHBondContact O-N 3.31Å; I11-I82 HydrophobicContact CD1-CD1 4.24Å; I11-I82 HydrophobicContact CG1-CB 4.4Å; I11-I82 HydrophobicContact CG1-CD1 4.21Å; I11-I82 HydrophobicContact CG2-CB 4.33Å; I11-I82 HydrophobicContact CG2-CG2 4.45Å; V12-I82 PolarHBondContact N-O 2.77Å; I82-V84 HydrophobicContact CG2-CG2 3.77Å; I82-V117 HydrophobicContact CG2-CB 4.16Å; I82-V117 HydrophobicContact CG2-CG2 3.48Å; I82-V117 VanDerWaalsContact CG2-CG2 3.48Å; I82-V169 HydrophobicContact CD1-CG1 3.75Å; I82-V169 HydrophobicContact CG1-CG1 4.22Å; I82-V169 HydrophobicContact CG2-CG1 3.9Å; I82-F170 HydrophobicContact CD1-CD1 3.83Å; I82-F170 HydrophobicContact CD1-CE1 3.66Å; I82-F170 HydrophobicContact CD1-CG 4.46Å; I82-F170 HydrophobicContact CD1-CZ 4.15Å; I82-I173 HydrophobicContact CD1-CG2 4.02Å; I82-I173 HydrophobicContact CG1-CB 4.28Å; I82-I173 HydrophobicContact CG1-CG1 4.31Å; I82-I173 HydrophobicContact CG1-CG2 4.05Å
83	L	97.8	Very high	93.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	105.7	-179.5	-80.9	74.3	0	0	0	108.8	V12 F81 L96 R100 I103 M114 L115 I116 V117	V12-L83 HydrophobicContact CG2-CB 4.48Å; V12-L83 HydrophobicContact CG2-CD1 4.09Å; V12-L83 HydrophobicContact CG2-CG 3.84Å; F81-L83 HydrophobicContact CB-CD1 3.84Å; L83-L96 HydrophobicContact CB-CD2 4.14Å; L83-R100 HydrophobicContact CD2-CB 4.02Å; L83-I103 HydrophobicContact CD1-CD1 4.28Å; L83-M114 HydrophobicContact CD1-CB 4.16Å; L83-M114 HydrophobicContact CD1-CG 4.11Å; L83-M114 HydrophobicContact CD1-SD 4.08Å; L83-L115 PolarHBondContact N-O 2.87Å; L83-I116 HydrophobicContact CB-CG1 4.48Å; L83-I116 WeakPolarHBondContact O-CA 3.02Å; L83-V117 PolarHBondContact O-N 3.15Å
84	V	96.9	Very high	93.8	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	128.9	-172.5	-170.4	0	0	0	0	110.6	I11 V12 G13 V17 K19 L22 I82 V117 N119	I11-V84 HydrophobicContact CG2-CG2 3.45Å; I11-V84 VanDerWaalsContact CG2-CG2 3.45Å; V12-V84 PolarHBondContact O-N 3.04Å; G13-V84 WeakPolarHBondContact CA-O 3.45Å; V17-V84 HydrophobicContact CB-CG1 4.27Å; V17-V84 HydrophobicContact CG2-CB 4.01Å; V17-V84 HydrophobicContact CG2-CG1 3.8Å; K19-V84 HydrophobicContact CG-CB 4.23Å; K19-V84 HydrophobicContact CG-CG2 4.36Å; L22-V84 HydrophobicContact CD1-CG1 4.03Å; L22-V84 HydrophobicContact CD1-CG2 4.14Å; I82-V84 HydrophobicContact CG2-CG2 3.77Å; V84-V117 WeakPolarHBondContact CA-O 3.2Å; V84-V117 HydrophobicContact CG2-CB 4.33Å; V84-N119 HydrophobicContact CG1-CB 3.86Å
85	F	96.5	Very high	94.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	164.2	162.3	77.2	-82.2	0	0	0	109.2	I87 S92 V93 L96 I116 V117 A118 N119 F146	F85-I87 HydrophobicContact CE2-CG2 4.47Å; F85-S92 WeakPolarHBondContact CB-OG 3.18Å; F85-V93 HydrophobicContact CB-CB 4.26Å; F85-V93 HydrophobicContact CD2-CB 3.67Å; F85-V93 HydrophobicContact CD2-CG2 4.15Å; F85-V93 HydrophobicContact CE2-CB 4.08Å; F85-V93 HydrophobicContact CE2-CG2 4.17Å; F85-V93 HydrophobicContact CG-CB 3.97Å; F85-V93 HydrophobicContact CG-CG2 4.31Å; F85-V93 HydrophobicContact CZ-CG2 4.35Å; F85-L96 HydrophobicContact CB-CD1 4.22Å; F85-L96 HydrophobicContact CB-CD2 4.2Å; F85-L96 HydrophobicContact CB-CG 4.31Å; F85-L96 HydrophobicContact CD1-CD1 3.68Å; F85-L96 HydrophobicContact CE1-CD1 4.35Å; F85-L96 HydrophobicContact CG-CD1 4.22Å; F85-I116 HydrophobicContact CD1-CG2 4.21Å; F85-I116 HydrophobicContact CE1-CG2 3.99Å; F85-V117 WeakPolarHBondContact CD1-O 3.23Å; F85-V117 PolarHBondContact N-O 2.83Å; F85-A118 HydrophobicContact CD1-CB 4.33Å; F85-A118 HydrophobicContact CE1-CB 3.49Å; F85-A118 VanDerWaalsContact CE1-CB 3.49Å; F85-A118 HydrophobicContact CE2-CB 4Å; F85-A118 HydrophobicContact CZ-CB 3.31Å; F85-N119 PolarHBondContact O-N 3.04Å; F85-F146 AromaticContact CE1-CE2 3.75Å; F85-F146 HydrophobicContact CE1-CE2 3.75Å; F85-F146 HydrophobicContact CE1-CZ 4.35Å; F85-F146 AromaticContact CZ-CE2 3.96Å; F85-F146 HydrophobicContact CZ-CE2 3.96Å; F85-F146 HydrophobicContact CZ-CZ 4.2Å
86	A	93.9	Very high	94.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	139.7	176	0	0	0	0	0	110.6	V17 D88 D89 S92 K120	V17-A86 HydrophobicContact CB-CB 4.05Å; V17-A86 HydrophobicContact CG1-CB 4.26Å; A86-D88 WeakPolarHBondContact CB-OD1 3.41Å; A86-D88 PolarHBondContact O-N 2.93Å; A86-D88 VanDerWaalsContact O-N 3.1Å; A86-D89 HydrophobicContact CB-CB 4.46Å; A86-D89 PolarHBondContact O-N 3Å; A86-S92 PolarHBondContact N-OG 3.28Å; A86-S92 PolarHBondContact O-OG 3.23Å; A86-K120 HydrophobicContact CB-CD 3.93Å; A86-K120 HydrophobicContact CB-CG 4.06Å
87	I	92.2	Very high	94.5	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.031	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-8.1	-176.6	63.5	152.7	0	0	0	114.1	F85 A118 N119 K120 L123 R128 Y131 I132	F85-I87 HydrophobicContact CE2-CG2 4.47Å; I87-A118 HydrophobicContact CG2-CB 4.13Å; I87-N119 PolarHBondContact N-O 2.66Å; I87-K120 WeakPolarHBondContact CD1-O 3.29Å; I87-K120 HydrophobicContact CG1-CB 4.34Å; I87-K120 VanDerWaalsContact CG1-O 3.23Å; I87-K120 WeakPolarHBondContact CG1-O 3.21Å; I87-L123 HydrophobicContact CD1-CB 4.25Å; I87-L123 VanDerWaalsContact CD1-O 3.27Å; I87-L123 WeakPolarHBondContact CD1-O 3.41Å; I87-R128 HydrophobicContact CB-CG 4.4Å; I87-R128 HydrophobicContact CD1-CB 4.37Å; I87-R128 HydrophobicContact CD1-CG 3.76Å; I87-R128 VanDerWaalsContact CD1-NH1 3.25Å; I87-Y131 WeakPolarHBondContact O-CD2 3.4Å; I87-I132 HydrophobicContact CG2-CD1 4.14Å; I87-I132 HydrophobicContact CG2-CG1 3.87Å
88	D	90.6	Very high	94.6	Very high	81 Å²	81	28.6 Å²	28.6	43%	0.433	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	0.6	175.3	65.2	-22.3	0	0	0	113	A86 K120 L123	A86-D88 WeakPolarHBondContact CB-OD1 3.41Å; A86-D88 PolarHBondContact O-N 2.93Å; A86-D88 VanDerWaalsContact O-N 3.1Å; D88-K120 VanDerWaalsContact CG-NZ 3.25Å; D88-K120 WeakPolarHBondContact OD1-CD 3.48Å; D88-K120 IonicContact OD1-NZ 3.35Å; D88-K120 PolarHBondContact OD1-NZ 3.28Å; D88-K120 IonicContact OD2-NZ 2.66Å; D88-K120 PolarHBondContact OD2-NZ 3.12Å; D88-L123 HydrophobicContact CB-CD1 3.83Å; D88-L123 WeakPolarHBondContact OD2-CD1 3.3Å
89	D	91	Very high	94.5	Very high	46 Å²	46	29.1 Å²	29.1	25%	0.246	16%	0.162	C	C	.	.			trans	-132.1	104.7	-175.8	178.6	-7.9	0	0	0	110.8	A86 E91 S92	A86-D89 HydrophobicContact CB-CB 4.46Å; A86-D89 PolarHBondContact O-N 3Å; D89-E91 PolarHBondContact O-N 2.92Å; D89-E91 PolarHBondContact OD1-N 2.97Å; D89-S92 PolarHBondContact O-N 3.33Å; D89-S92 PolarHBondContact O-OG 3.16Å; D89-S92 PolarHBondContact OD1-N 3.31Å; D89-S92 WeakPolarHBondContact OD2-CB 2.97Å
90	S	88.2	Confident	94.4	Very high	47 Å²	47	29.5 Å²	29.5	33%	0.329	16%	0.162	S	C	.	.	H	α-helix	trans	-68.7	-30.6	179.7	56.9	0	0	0	0	113.8	S92 V93 N94	S90-S92 VanDerWaalsContact C-N 3.25Å; S90-S92 PolarHBondContact O-N 3.36Å; S90-V93 WeakPolarHBondContact O-CG1 3.47Å; S90-N94 PolarHBondContact O-N 2.81Å; S90-N94 PolarHBondContact O-ND2 3.03Å
91	E	91.6	Very high	94.3	Very high	144 Å²	144	34 Å²	34	67%	0.673	18%	0.183	S	C	*	.	H	α-helix	trans	-70.6	-31.1	178.5	-65	-175	177.4	0	0	110.3	D89 V93 N94 S95	D89-E91 PolarHBondContact O-N 2.92Å; D89-E91 PolarHBondContact OD1-N 2.97Å; E91-V93 PolarHBondContact O-N 3.21Å; E91-N94 PolarHBondContact O-N 2.94Å; E91-S95 WeakPolarHBondContact O-CB 3.12Å; E91-S95 PolarHBondContact O-N 3.18Å; E91-S95 PolarHBondContact O-OG 3.5Å
92	S	94.3	Very high	94	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-39.1	178.1	76.1	0	0	0	0	113.8	F85 A86 D89 S90 S95	F85-S92 WeakPolarHBondContact CB-OG 3.18Å; A86-S92 PolarHBondContact N-OG 3.28Å; A86-S92 PolarHBondContact O-OG 3.23Å; D89-S92 PolarHBondContact O-N 3.33Å; D89-S92 PolarHBondContact O-OG 3.16Å; D89-S92 PolarHBondContact OD1-N 3.31Å; D89-S92 WeakPolarHBondContact OD2-CB 2.97Å; S90-S92 VanDerWaalsContact C-N 3.25Å; S90-S92 PolarHBondContact O-N 3.36Å; S92-S95 PolarHBondContact O-N 3.08Å
93	V	95.1	Very high	93.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-70.7	-41	176.9	62.4	0	0	0	0	111.3	F85 S90 E91 S95 L96 Y131 Q134 Y138	F85-V93 HydrophobicContact CB-CB 4.26Å; F85-V93 HydrophobicContact CD2-CB 3.67Å; F85-V93 HydrophobicContact CD2-CG2 4.15Å; F85-V93 HydrophobicContact CE2-CB 4.08Å; F85-V93 HydrophobicContact CE2-CG2 4.17Å; F85-V93 HydrophobicContact CG-CB 3.97Å; F85-V93 HydrophobicContact CG-CG2 4.31Å; F85-V93 HydrophobicContact CZ-CG2 4.35Å; S90-V93 WeakPolarHBondContact O-CG1 3.47Å; E91-V93 PolarHBondContact O-N 3.21Å; V93-S95 VanDerWaalsContact C-N 3.26Å; V93-S95 PolarHBondContact O-N 3.32Å; V93-L96 HydrophobicContact CG2-CD1 4.29Å; V93-L96 VanDerWaalsContact O-CB 3.31Å; V93-L96 WeakPolarHBondContact O-CB 3.23Å; V93-L96 VanDerWaalsContact O-CG 3.26Å; V93-L96 WeakPolarHBondContact O-CG 3.24Å; V93-L96 PolarHBondContact O-N 3.27Å; V93-Y131 HydrophobicContact CG1-CD1 4.43Å; V93-Q134 VanDerWaalsContact CG1-OE1 3.23Å; V93-Q134 HydrophobicContact CG2-CB 4.27Å; V93-Q134 HydrophobicContact CG2-CG 4.07Å; V93-Y138 HydrophobicContact CG2-CD2 4.4Å; V93-Y138 HydrophobicContact CG2-CE2 4.3Å; V93-Y138 WeakPolarHBondContact O-CE2 3.29Å
94	N	93.9	Very high	93.8	Very high	79 Å²	79	37 Å²	37	42%	0.422	20%	0.197	S	C	.	.	H	α-helix	trans	-63.2	-34.7	176.8	-68.6	-33.5	0	0	0	112.1	S90 E91 L96 Q134	S90-N94 PolarHBondContact O-N 2.81Å; S90-N94 PolarHBondContact O-ND2 3.03Å; E91-N94 PolarHBondContact O-N 2.94Å; N94-L96 PolarHBondContact O-N 3.07Å; N94-Q134 PolarHBondContact OD1-NE2 2.95Å
95	S	93.4	Very high	93.7	Very high	35 Å²	35	44.6 Å²	44.6	25%	0.245	23%	0.226	C	C	.	.	H	α-helix	trans	-67.3	-19.1	-179.8	-61.2	0	0	0	0	113.2	S14 E91 S92 V93 A97 T98 F99	S14-S95 WeakPolarHBondContact OG-CB 3.39Å; S14-S95 PolarHBondContact OG-OG 3.12Å; E91-S95 WeakPolarHBondContact O-CB 3.12Å; E91-S95 PolarHBondContact O-N 3.18Å; E91-S95 PolarHBondContact O-OG 3.5Å; S92-S95 PolarHBondContact O-N 3.08Å; V93-S95 VanDerWaalsContact C-N 3.26Å; V93-S95 PolarHBondContact O-N 3.32Å; S95-A97 VanDerWaalsContact C-N 3.28Å; S95-A97 PolarHBondContact O-N 3.29Å; S95-T98 WeakPolarHBondContact O-CB 3.33Å; S95-T98 PolarHBondContact O-N 2.93Å; S95-T98 VanDerWaalsContact O-N 3.12Å; S95-F99 WeakPolarHBondContact O-CD2 3.41Å; S95-F99 PolarHBondContact O-N 3.27Å; S95-F99 VanDerWaalsContact O-N 3.08Å
96	L	95.8	Very high	93.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.1	-39.3	-179.1	-63.4	-176.1	0	0	0	112.8	L83 F85 V93 N94 T98 F99 R100 I116 Y138 W142	L83-L96 HydrophobicContact CB-CD2 4.14Å; F85-L96 HydrophobicContact CB-CD1 4.22Å; F85-L96 HydrophobicContact CB-CD2 4.2Å; F85-L96 HydrophobicContact CB-CG 4.31Å; F85-L96 HydrophobicContact CD1-CD1 3.68Å; F85-L96 HydrophobicContact CE1-CD1 4.35Å; F85-L96 HydrophobicContact CG-CD1 4.22Å; V93-L96 HydrophobicContact CG2-CD1 4.29Å; V93-L96 VanDerWaalsContact O-CB 3.31Å; V93-L96 WeakPolarHBondContact O-CB 3.23Å; V93-L96 VanDerWaalsContact O-CG 3.26Å; V93-L96 WeakPolarHBondContact O-CG 3.24Å; V93-L96 PolarHBondContact O-N 3.27Å; N94-L96 PolarHBondContact O-N 3.07Å; L96-T98 VanDerWaalsContact C-N 3.31Å; L96-T98 PolarHBondContact O-N 2.93Å; L96-F99 PolarHBondContact O-N 2.81Å; L96-R100 WeakPolarHBondContact O-CB 3.35Å; L96-R100 PolarHBondContact O-N 3.29Å; L96-I116 HydrophobicContact CD1-CG2 4Å; L96-Y138 HydrophobicContact CD1-CD2 4.47Å; L96-W142 HydrophobicContact CB-CH2 4.19Å; L96-W142 HydrophobicContact CB-CZ3 4.32Å
97	A	95.8	Very high	93.5	Very high	25 Å²	25	49.5 Å²	49.5	21%	0.207	25%	0.249	C	C	.	.	H	α-helix	trans	-60.3	-44	178.1	0	0	0	0	0	111	S95 R100 E101 W142	S95-A97 VanDerWaalsContact C-N 3.28Å; S95-A97 PolarHBondContact O-N 3.29Å; A97-R100 PolarHBondContact O-N 2.81Å; A97-E101 WeakPolarHBondContact O-CG 3.49Å; A97-E101 PolarHBondContact O-N 2.61Å; A97-W142 HydrophobicContact CB-CH2 4.12Å; A97-W142 HydrophobicContact CB-CZ2 4.02Å
98	T	93.5	Very high	93.6	Very high	89 Å²	89	57 Å²	57	55%	0.546	28%	0.284	S	S	.	.	H	α-helix	trans	-62.7	-45.4	177.1	-57.4	0	0	0	0	111.4	S95 L96 H102	S95-T98 WeakPolarHBondContact O-CB 3.33Å; S95-T98 PolarHBondContact O-N 2.93Å; S95-T98 VanDerWaalsContact O-N 3.12Å; L96-T98 VanDerWaalsContact C-N 3.31Å; L96-T98 PolarHBondContact O-N 2.93Å; T98-H102 WeakPolarHBondContact O-CB 3.46Å; T98-H102 PolarHBondContact O-N 3.36Å
99	F	92.9	Very high	93.7	Very high	14 Å²	14	54 Å²	54	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-61.9	-46.4	176.5	-75.1	-66	0	0	0	111.8	V12 S95 L96 H102 I103	V12-F99 HydrophobicContact CB-CD1 4.31Å; V12-F99 HydrophobicContact CG2-CB 4.38Å; S95-F99 WeakPolarHBondContact O-CD2 3.41Å; S95-F99 PolarHBondContact O-N 3.27Å; S95-F99 VanDerWaalsContact O-N 3.08Å; L96-F99 PolarHBondContact O-N 2.81Å; F99-H102 PolarHBondContact O-N 3.22Å; F99-I103 VanDerWaalsContact O-CG1 3.31Å; F99-I103 WeakPolarHBondContact O-CG1 3.5Å; F99-I103 PolarHBondContact O-N 3.4Å
100	R	95.5	Very high	93.6	Very high	53 Å²	53	58.3 Å²	58.3	20%	0.2	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-52	178.6	177.8	174.7	175.2	-85.1	2.7	111.5	L83 L96 A97 H102 I103 L104 M114 W142	L83-R100 HydrophobicContact CD2-CB 4.02Å; L96-R100 WeakPolarHBondContact O-CB 3.35Å; L96-R100 PolarHBondContact O-N 3.29Å; A97-R100 PolarHBondContact O-N 2.81Å; R100-H102 PolarHBondContact O-N 3.42Å; R100-I103 PolarHBondContact O-N 2.87Å; R100-L104 HydrophobicContact CG-CD1 3.97Å; R100-L104 HydrophobicContact CG-CG 4.33Å; R100-L104 WeakPolarHBondContact O-CG 3.33Å; R100-L104 PolarHBondContact O-N 3.28Å; R100-M114 HydrophobicContact CG-CE 4.1Å; R100-M114 HydrophobicContact CG-SD 4.19Å; R100-W142 HydrophobicContact CB-CZ3 4.39Å; R100-W142 VanDerWaalsContact NE-CG 3.32Å
101	E	94.8	Very high	93.7	Very high	95 Å²	95	63.7 Å²	63.7	44%	0.444	31%	0.312	S	S	.	.	H	α-helix	trans	-58.4	-38.9	179	-75.2	-179.9	-167.9	0	0	112.2	A97 R105	A97-E101 WeakPolarHBondContact O-CG 3.49Å; A97-E101 PolarHBondContact O-N 2.61Å; E101-R105 WeakPolarHBondContact O-CB 3.2Å; E101-R105 VanDerWaalsContact O-CG 3.27Å; E101-R105 WeakPolarHBondContact O-CG 3.31Å; E101-R105 PolarHBondContact O-N 3.06Å; E101-R105 PolarHBondContact O-NE 2.99Å; E101-R105 IonicContact OE2-NH2 3.93Å; E101-R105 PolarHBondContact OE2-NH2 3.37Å
102	H	92.5	Very high	93.9	Very high	37 Å²	37	57.5 Å²	57.5	17%	0.171	28%	0.284	C	S	.	.	H	α-helix	trans	-66.5	-44.2	178.2	-169.2	-160.4	0	0	0	111.5	D72 F75 T98 F99 R100 L104 R105 I106	D72-H102 IonicContact OD1-CE1 3.19Å; D72-H102 PolarHBondContact OD1-CE1 2.98Å; D72-H102 IonicContact OD1-NE2 2.84Å; D72-H102 PolarHBondContact OD1-NE2 3.24Å; F75-H102 AromaticContact CE2-ND1 3.66Å; T98-H102 WeakPolarHBondContact O-CB 3.46Å; T98-H102 PolarHBondContact O-N 3.36Å; F99-H102 PolarHBondContact O-N 3.22Å; R100-H102 PolarHBondContact O-N 3.42Å; H102-L104 PolarHBondContact O-N 2.98Å; H102-R105 PolarHBondContact O-N 2.54Å; H102-I106 WeakPolarHBondContact O-CG1 2.88Å; H102-I106 PolarHBondContact O-N 3.26Å
103	I	94.4	Very high	94.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-57.4	-50.8	174.7	-71.4	162.4	0	0	0	110.8	V12 F75 F81 L83 F99 R100 R105 I106 K107 V112 M114	V12-I103 HydrophobicContact CG2-CD1 3.93Å; F75-I103 HydrophobicContact CD2-CG1 3.87Å; F75-I103 HydrophobicContact CE2-CG1 3.85Å; F75-I103 HydrophobicContact CG-CG1 4.34Å; F75-I103 HydrophobicContact CZ-CG1 4.32Å; F81-I103 HydrophobicContact CB-CD1 3.98Å; F81-I103 HydrophobicContact CD1-CD1 3.45Å; F81-I103 VanDerWaalsContact CD1-CD1 3.45Å; F81-I103 HydrophobicContact CD1-CG1 3.77Å; F81-I103 HydrophobicContact CD1-CG2 4.19Å; F81-I103 HydrophobicContact CD2-CD1 4.47Å; F81-I103 HydrophobicContact CD2-CG2 3.67Å; F81-I103 HydrophobicContact CE1-CD1 4.02Å; F81-I103 HydrophobicContact CE1-CG1 3.78Å; F81-I103 HydrophobicContact CE1-CG2 4.02Å; F81-I103 HydrophobicContact CE2-CG2 3.51Å; F81-I103 HydrophobicContact CG-CD1 3.72Å; F81-I103 HydrophobicContact CG-CG1 4.26Å; F81-I103 HydrophobicContact CG-CG2 4.02Å; F81-I103 HydrophobicContact CZ-CG1 4.29Å; F81-I103 HydrophobicContact CZ-CG2 3.69Å; L83-I103 HydrophobicContact CD1-CD1 4.28Å; F99-I103 VanDerWaalsContact O-CG1 3.31Å; F99-I103 WeakPolarHBondContact O-CG1 3.5Å; F99-I103 PolarHBondContact O-N 3.4Å; R100-I103 PolarHBondContact O-N 2.87Å; I103-R105 VanDerWaalsContact C-N 3.31Å; I103-R105 PolarHBondContact O-N 2.86Å; I103-I106 PolarHBondContact O-N 3.5Å; I103-K107 HydrophobicContact CG2-CG 4.23Å; I103-K107 VanDerWaalsContact O-CB 3.31Å; I103-K107 WeakPolarHBondContact O-CB 3.44Å; I103-K107 WeakPolarHBondContact O-CG 3.39Å; I103-K107 PolarHBondContact O-N 2.89Å; I103-V112 HydrophobicContact CG2-CG1 4.1Å; I103-M114 HydrophobicContact CG2-SD 4.26Å
104	L	96.4	Very high	94.2	Very high	26 Å²	26	58.7 Å²	58.7	14%	0.136	29%	0.291	C	S	.	.	H	α-helix	trans	-60.9	-40.8	-179.4	-65.7	175.7	0	0	0	111.6	R100 H102 K107 Q108 S109 V112 M114	R100-L104 HydrophobicContact CG-CD1 3.97Å; R100-L104 HydrophobicContact CG-CG 4.33Å; R100-L104 WeakPolarHBondContact O-CG 3.33Å; R100-L104 PolarHBondContact O-N 3.28Å; H102-L104 PolarHBondContact O-N 2.98Å; L104-K107 PolarHBondContact O-N 3.22Å; L104-Q108 PolarHBondContact O-N 3.45Å; L104-S109 WeakPolarHBondContact CD2-O 3.21Å; L104-V112 HydrophobicContact CD2-CB 4.32Å; L104-V112 HydrophobicContact CD2-CG2 3.93Å; L104-M114 HydrophobicContact CD2-CE 3.88Å; L104-M114 HydrophobicContact CG-CE 4.44Å
105	R	94.7	Very high	94.4	Very high	160 Å²	160	54.9 Å²	54.9	60%	0.604	27%	0.271	S	S	*	.	H	α-helix	trans	-61.6	-46.3	175.4	-79.9	-178.1	-99.9	174.8	-13.1	112.5	E101 H102 I103	E101-R105 WeakPolarHBondContact O-CB 3.2Å; E101-R105 VanDerWaalsContact O-CG 3.27Å; E101-R105 WeakPolarHBondContact O-CG 3.31Å; E101-R105 PolarHBondContact O-N 3.06Å; E101-R105 PolarHBondContact O-NE 2.99Å; E101-R105 IonicContact OE2-NH2 3.93Å; E101-R105 PolarHBondContact OE2-NH2 3.37Å; H102-R105 PolarHBondContact O-N 2.54Å; I103-R105 VanDerWaalsContact C-N 3.31Å; I103-R105 PolarHBondContact O-N 2.86Å
106	I	93	Very high	94.7	Very high	48 Å²	48	53.2 Å²	53.2	25%	0.246	26%	0.259	C	S	.	.	H	α-helix	trans	-68.2	-38.6	178.4	-65.2	-64.8	0	0	0	111.2	D72 F75 K76 H102 I103	D72-I106 HydrophobicContact CB-CD1 4.12Å; F75-I106 HydrophobicContact CB-CB 4.3Å; F75-I106 HydrophobicContact CB-CG2 3.88Å; F75-I106 HydrophobicContact CD2-CG1 4.5Å; K76-I106 HydrophobicContact CB-CG2 4.15Å; H102-I106 WeakPolarHBondContact O-CG1 2.88Å; H102-I106 PolarHBondContact O-N 3.26Å; I103-I106 PolarHBondContact O-N 3.5Å
107	K	94.4	Very high	94.7	Very high	54 Å²	54	53.2 Å²	53.2	24%	0.235	26%	0.259	C	S	.	.	H	α-helix	trans	-75.6	-22.2	179.6	-73.9	-53.5	-160.5	-177	0	114.5	F75 K76 S78 F81 I103 L104 S109 V112	F75-K107 WeakPolarHBondContact O-CE 3.37Å; F75-K107 PolarHBondContact O-NZ 3.27Å; K76-K107 PolarHBondContact O-NZ 2.81Å; S78-K107 WeakPolarHBondContact O-CE 3.31Å; S78-K107 PolarHBondContact O-NZ 3.23Å; F81-K107 HydrophobicContact CE2-CG 4.29Å; F81-K107 HydrophobicContact CZ-CG 4.47Å; I103-K107 HydrophobicContact CG2-CG 4.23Å; I103-K107 VanDerWaalsContact O-CB 3.31Å; I103-K107 WeakPolarHBondContact O-CB 3.44Å; I103-K107 WeakPolarHBondContact O-CG 3.39Å; I103-K107 PolarHBondContact O-N 2.89Å; L104-K107 PolarHBondContact O-N 3.22Å; K107-S109 PolarHBondContact O-N 3.37Å; K107-V112 HydrophobicContact CB-CG2 3.67Å; K107-V112 HydrophobicContact CG-CG1 4.19Å; K107-V112 HydrophobicContact CG-CG2 3.83Å
108	Q	94.5	Very high	94.7	Very high	165 Å²	165	52 Å²	52	77%	0.771	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	41.6	-174.9	-54.9	178.2	16.6	0	0	111.4	L104	L104-Q108 PolarHBondContact O-N 3.45Å
109	S	92.3	Very high	94.7	Very high	16 Å²	16	47.9 Å²	47.9	11%	0.112	22%	0.224	C	C	.	.			trans	-150	131.4	-177.7	-173	0	0	0	0	108.4	L104 K107 H111 V112 R189	L104-S109 WeakPolarHBondContact CD2-O 3.21Å; K107-S109 PolarHBondContact O-N 3.37Å; S109-H111 VanDerWaalsContact C-N 3.25Å; S109-H111 PolarHBondContact OG-N 2.63Å; S109-H111 PolarHBondContact OG-O 2.82Å; S109-V112 WeakPolarHBondContact O-CG2 3.32Å; S109-R189 PolarHBondContact OG-NH2 3.12Å
110	D	89.1	Confident	94.6	Very high	137 Å²	137	49.6 Å²	49.6	73%	0.733	23%	0.231	S	C	*	.	S	Bend	trans	-75.3	-21.5	173.2	-58.7	-44.5	0	0	0	111.9
111	H	90.1	Very high	94.2	Very high	160 Å²	160	48.6 Å²	48.6	74%	0.741	23%	0.232	S	C	*	.			trans	-106.3	99	178.7	-58.3	82.8	0	0	0	108.4	S109	S109-H111 VanDerWaalsContact C-N 3.25Å; S109-H111 PolarHBondContact OG-N 2.63Å; S109-H111 PolarHBondContact OG-O 2.82Å
112	V	95.8	Very high	93.8	Very high	15 Å²	15	46 Å²	46	9%	0.091	22%	0.222	C	C	.	.			trans	-128	128.6	175.3	179.6	0	0	0	0	107.1	F81 I103 L104 K107 S109 M114	F81-V112 HydrophobicContact CD2-CG1 3.59Å; F81-V112 HydrophobicContact CE2-CG1 3.57Å; I103-V112 HydrophobicContact CG2-CG1 4.1Å; L104-V112 HydrophobicContact CD2-CB 4.32Å; L104-V112 HydrophobicContact CD2-CG2 3.93Å; K107-V112 HydrophobicContact CB-CG2 3.67Å; K107-V112 HydrophobicContact CG-CG1 4.19Å; K107-V112 HydrophobicContact CG-CG2 3.83Å; S109-V112 WeakPolarHBondContact O-CG2 3.32Å; V112-M114 HydrophobicContact CB-CE 4.31Å; V112-M114 HydrophobicContact CB-CG 4.44Å; V112-M114 HydrophobicContact CG1-CG 4.25Å; V112-M114 WeakPolarHBondContact O-CG 3.19Å; V112-M114 PolarHBondContact O-N 2.88Å
113	P	98	Very high	93.4	Very high	20 Å²	20	47.4 Å²	47.4	13%	0.13	23%	0.23	C	C	.	.			trans	-54.4	113.9	174.5	-27.4	35.7	0	0	0	111	E79 G80 F81 I173 K176 I177	E79-P113 WeakPolarHBondContact O-CD 3.34Å; E79-P113 WeakPolarHBondContact O-CG 3.39Å; G80-P113 CarbonylContact C-O 3.35Å; G80-P113 WeakPolarHBondContact CA-O 3.48Å; F81-P113 PolarHBondContact N-O 2.9Å; P113-I173 HydrophobicContact CB-CD1 4.16Å; P113-K176 HydrophobicContact CB-CB 4.03Å; P113-I177 HydrophobicContact CB-CG1 3.87Å; P113-I177 HydrophobicContact CG-CG1 4.22Å
114	M	98.3	Very high	92.4	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.02	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	149.6	-178.8	-68.7	-172.5	-75	0	0	110.3	F81 L83 R100 I103 L104 V112 L144	F81-M114 HydrophobicContact CB-CG 4.14Å; F81-M114 HydrophobicContact CD2-CG 4.45Å; F81-M114 VanDerWaalsContact O-CA 3.31Å; F81-M114 WeakPolarHBondContact O-CA 3.48Å; L83-M114 HydrophobicContact CD1-CB 4.16Å; L83-M114 HydrophobicContact CD1-CG 4.11Å; L83-M114 HydrophobicContact CD1-SD 4.08Å; R100-M114 HydrophobicContact CG-CE 4.1Å; R100-M114 HydrophobicContact CG-SD 4.19Å; I103-M114 HydrophobicContact CG2-SD 4.26Å; L104-M114 HydrophobicContact CD2-CE 3.88Å; L104-M114 HydrophobicContact CG-CE 4.44Å; V112-M114 HydrophobicContact CB-CE 4.31Å; V112-M114 HydrophobicContact CB-CG 4.44Å; V112-M114 HydrophobicContact CG1-CG 4.25Å; V112-M114 WeakPolarHBondContact O-CG 3.19Å; V112-M114 PolarHBondContact O-N 2.88Å; M114-L144 HydrophobicContact CB-CD1 3.75Å; M114-L144 HydrophobicContact CB-CD2 3.82Å; M114-L144 HydrophobicContact CB-CG 4.42Å; M114-L144 HydrophobicContact CE-CD1 4.4Å; M114-L144 HydrophobicContact CE-CD2 4.43Å
115	L	98.1	Very high	90.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	132.2	176.1	169.9	68	0	0	0	108.8	F81 L83 V117 D145 I147 V169 E172 I173	F81-L115 PolarHBondContact O-N 3.18Å; L83-L115 PolarHBondContact N-O 2.87Å; L115-V117 HydrophobicContact CD2-CG2 4.18Å; L115-V117 HydrophobicContact CG-CG2 4.14Å; L115-D145 HydrophobicContact CD1-CB 3.47Å; L115-D145 VanDerWaalsContact CD1-CB 3.47Å; L115-D145 WeakPolarHBondContact CD1-O 3.33Å; L115-I147 HydrophobicContact CD1-CD1 4Å; L115-I147 HydrophobicContact CD1-CG1 4.01Å; L115-I147 HydrophobicContact CD2-CD1 4Å; L115-V169 HydrophobicContact CD2-CB 4.27Å; L115-V169 HydrophobicContact CD2-CG1 3.81Å; L115-V169 WeakPolarHBondContact CD2-O 3.39Å; L115-E172 HydrophobicContact CD2-CB 4.44Å; L115-I173 HydrophobicContact CB-CD1 4.27Å
116	I	98.5	Very high	89.2	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	134.6	173.9	-58.6	-178.9	0	0	0	109.4	L83 F85 L96 A139 W142 L144 D145 F146 I147	L83-I116 HydrophobicContact CB-CG1 4.48Å; L83-I116 WeakPolarHBondContact O-CA 3.02Å; F85-I116 HydrophobicContact CD1-CG2 4.21Å; F85-I116 HydrophobicContact CE1-CG2 3.99Å; L96-I116 HydrophobicContact CD1-CG2 4Å; I116-A139 HydrophobicContact CD1-CB 4.06Å; I116-W142 HydrophobicContact CD1-CE3 3.81Å; I116-W142 HydrophobicContact CD1-CZ3 3.86Å; I116-L144 HydrophobicContact CD1-CD1 4.33Å; I116-L144 HydrophobicContact CG1-CB 4.49Å; I116-L144 HydrophobicContact CG1-CD1 4.11Å; I116-D145 PolarHBondContact N-O 2.84Å; I116-F146 HydrophobicContact CB-CD2 4.12Å; I116-F146 HydrophobicContact CG2-CD2 3.72Å; I116-F146 HydrophobicContact CG2-CE2 4.06Å; I116-F146 WeakPolarHBondContact O-CA 3.17Å; I116-I147 PolarHBondContact O-N 2.89Å
117	V	97.2	Very high	87.9	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119.9	179.4	177.8	0	0	0	0	110.4	L22 I82 L83 V84 F85 L115 I147 T149 V169	L22-V117 HydrophobicContact CD1-CG1 4.13Å; I82-V117 HydrophobicContact CG2-CB 4.16Å; I82-V117 HydrophobicContact CG2-CG2 3.48Å; I82-V117 VanDerWaalsContact CG2-CG2 3.48Å; L83-V117 PolarHBondContact O-N 3.15Å; V84-V117 WeakPolarHBondContact CA-O 3.2Å; V84-V117 HydrophobicContact CG2-CB 4.33Å; F85-V117 WeakPolarHBondContact CD1-O 3.23Å; F85-V117 PolarHBondContact N-O 2.83Å; L115-V117 HydrophobicContact CD2-CG2 4.18Å; L115-V117 HydrophobicContact CG-CG2 4.14Å; V117-I147 CarbonylContact C-O 3.58Å; V117-I147 VanDerWaalsContact CA-O 3.32Å; V117-I147 WeakPolarHBondContact CA-O 3.31Å; V117-T149 HydrophobicContact CG1-CG2 3.37Å; V117-V169 HydrophobicContact CG1-CG2 4.32Å; V117-V169 HydrophobicContact CG2-CB 4.41Å; V117-V169 HydrophobicContact CG2-CG1 3.65Å; V117-V169 HydrophobicContact CG2-CG2 3.83Å
118	A	94.9	Very high	87	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	101.4	168.8	0	0	0	0	0	109.2	F85 I87 F146 I147 E148 T149	F85-A118 HydrophobicContact CD1-CB 4.33Å; F85-A118 HydrophobicContact CE1-CB 3.49Å; F85-A118 VanDerWaalsContact CE1-CB 3.49Å; F85-A118 HydrophobicContact CE2-CB 4Å; F85-A118 HydrophobicContact CZ-CB 3.31Å; I87-A118 HydrophobicContact CG2-CB 4.13Å; A118-F146 HydrophobicContact CB-CE1 4.31Å; A118-F146 HydrophobicContact CB-CE2 4.02Å; A118-F146 HydrophobicContact CB-CZ 3.53Å; A118-I147 PolarHBondContact N-O 3.04Å; A118-E148 HydrophobicContact CB-CG 4.3Å; A118-E148 WeakPolarHBondContact O-CA 3.13Å; A118-T149 PolarHBondContact O-N 3Å
119	N	93.4	Very high	86.2	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.011	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	170.1	-177.6	-167.4	30.1	0	0	0	112.7	V17 L22 V84 F85 I87 C121 T149 A151	V17-N119 PolarHBondContact O-ND2 3.35Å; L22-N119 HydrophobicContact CD1-CB 4.33Å; V84-N119 HydrophobicContact CG1-CB 3.86Å; F85-N119 PolarHBondContact O-N 3.04Å; I87-N119 PolarHBondContact N-O 2.66Å; N119-C121 VanDerWaalsContact C-N 3.28Å; N119-C121 PolarHBondContact O-N 3.43Å; N119-T149 CarbonylContact C-O 3.58Å; N119-T149 VanDerWaalsContact CA-O 3.26Å; N119-T149 WeakPolarHBondContact CA-O 3.45Å; N119-T149 HydrophobicContact CB-CG2 4.45Å; N119-T149 PolarHBondContact OD1-O 3.08Å; N119-A151 PolarHBondContact OD1-N 3.35Å
120	K	90.6	Very high	85.8	Confident	49 Å²	49	59.7 Å²	59.7	21%	0.213	32%	0.324	C	S	.	.			trans	62.7	32.2	-177.3	-49	-169.8	-161.6	155.8	0	113.1	G16 A86 I87 D88 D122 L123 T149	G16-K120 VanDerWaalsContact O-CE 3.24Å; G16-K120 WeakPolarHBondContact O-CE 3.35Å; G16-K120 PolarHBondContact O-NZ 3.31Å; A86-K120 HydrophobicContact CB-CD 3.93Å; A86-K120 HydrophobicContact CB-CG 4.06Å; I87-K120 WeakPolarHBondContact CD1-O 3.29Å; I87-K120 HydrophobicContact CG1-CB 4.34Å; I87-K120 VanDerWaalsContact CG1-O 3.23Å; I87-K120 WeakPolarHBondContact CG1-O 3.21Å; D88-K120 VanDerWaalsContact CG-NZ 3.25Å; D88-K120 WeakPolarHBondContact OD1-CD 3.48Å; D88-K120 IonicContact OD1-NZ 3.35Å; D88-K120 PolarHBondContact OD1-NZ 3.28Å; D88-K120 IonicContact OD2-NZ 2.66Å; D88-K120 PolarHBondContact OD2-NZ 3.12Å; K120-D122 VanDerWaalsContact C-OD1 3.27Å; K120-D122 WeakPolarHBondContact CA-OD1 3.46Å; K120-D122 PolarHBondContact O-N 3.35Å; K120-L123 HydrophobicContact CB-CD1 3.79Å; K120-L123 HydrophobicContact CB-CG 4.08Å; K120-L123 HydrophobicContact CD-CD1 3.81Å; K120-L123 HydrophobicContact CG-CD1 4.48Å; K120-L123 WeakPolarHBondContact O-CB 3.31Å; K120-L123 PolarHBondContact O-N 3.4Å; K120-T149 PolarHBondContact N-O 3.3Å; K120-T149 VanDerWaalsContact N-O 3.12Å
121	C	87.4	Confident	85.7	Confident	32 Å²	32	55.4 Å²	55.4	22%	0.216	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	0.4	-179	85.7	0	0	0	0	113.7	N119 R128 E148 T149 S150	N119-C121 VanDerWaalsContact C-N 3.28Å; N119-C121 PolarHBondContact O-N 3.43Å; C121-R128 VanDerWaalsContact C-NH1 3.29Å; C121-R128 PolarHBondContact O-NH1 2.93Å; C121-R128 PolarHBondContact O-NH2 2.86Å; C121-E148 HydrophobicContact CB-CB 4.4Å; C121-T149 VanDerWaalsContact CB-O 3.26Å; C121-T149 WeakPolarHBondContact CB-O 3.26Å; C121-T149 PolarHBondContact N-O 2.88Å; C121-T149 PolarHBondContact SG-O 3.28Å; C121-S150 PolarHBondContact SG-N 2.92Å
122	D	85.2	Confident	85.7	Confident	42 Å²	42	48.2 Å²	48.2	23%	0.225	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-24.6	166.9	60	-67.5	0	0	0	112.8	K120 K124 S150 T153	K120-D122 VanDerWaalsContact C-OD1 3.27Å; K120-D122 WeakPolarHBondContact CA-OD1 3.46Å; K120-D122 PolarHBondContact O-N 3.35Å; D122-K124 PolarHBondContact O-N 2.84Å; D122-S150 VanDerWaalsContact OD1-CB 3.3Å; D122-S150 WeakPolarHBondContact OD1-CB 3.42Å; D122-S150 PolarHBondContact OD1-OG 3.39Å; D122-T153 HydrophobicContact CB-CG2 3.45Å; D122-T153 VanDerWaalsContact CB-CG2 3.45Å
123	L	84.5	Confident	85.5	Confident	65 Å²	65	51 Å²	51	34%	0.34	28%	0.284	S	S	.	.			trans	-70.9	126.8	178.6	-58	-179	0	0	0	110	I87 D88 K120 R128	I87-L123 HydrophobicContact CD1-CB 4.25Å; I87-L123 VanDerWaalsContact CD1-O 3.27Å; I87-L123 WeakPolarHBondContact CD1-O 3.41Å; D88-L123 HydrophobicContact CB-CD1 3.83Å; D88-L123 WeakPolarHBondContact OD2-CD1 3.3Å; K120-L123 HydrophobicContact CB-CD1 3.79Å; K120-L123 HydrophobicContact CB-CG 4.08Å; K120-L123 HydrophobicContact CD-CD1 3.81Å; K120-L123 HydrophobicContact CG-CD1 4.48Å; K120-L123 WeakPolarHBondContact O-CB 3.31Å; K120-L123 PolarHBondContact O-N 3.4Å; L123-R128 PolarHBondContact O-NH1 3.21Å; L123-R128 VanDerWaalsContact O-NH1 3.15Å
124	K	73.2	Confident	85.3	Confident	206 Å²	206	52.3 Å²	52.3	90%	0.896	29%	0.289	S	S	*	.			trans	-93.4	125.9	172.6	-63.1	-176.8	-179.5	-179.7	0	108.1	D122	D122-K124 PolarHBondContact O-N 2.84Å
125	G	66.7	Low	85.1	Confident	46 Å²	46	52.1 Å²	52.1	47%	0.474	29%	0.288	S	S	.	.			trans	-162.1	147.7	177.7	0	0	0	0	0	111.7	T127 R128	G125-T127 PolarHBondContact O-N 3.23Å; G125-R128 VanDerWaalsContact O-CB 3.23Å; G125-R128 WeakPolarHBondContact O-CB 3.43Å; G125-R128 PolarHBondContact O-N 3.41Å
126	C	58.3	Low	85	Confident	133 Å²	133	56.2 Å²	56.2	90%	0.899	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-28.4	-174.3	-56.8	0	0	0	0	113.3
127	T	65.7	Low	85	Confident	67 Å²	67	61.4 Å²	61.4	41%	0.411	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-9.2	-177.6	52.1	0	0	0	0	114.1	G125 N129 N130 Y131	G125-T127 PolarHBondContact O-N 3.23Å; T127-N129 PolarHBondContact O-N 3.01Å; T127-N129 VanDerWaalsContact O-N 3.16Å; T127-N130 PolarHBondContact O-N 3.14Å; T127-N130 VanDerWaalsContact O-N 3.08Å; T127-Y131 PolarHBondContact O-N 3.15Å; T127-Y131 WeakPolarHBondContact OG1-CE2 3.36Å
128	R	74.6	Confident	85	Confident	50 Å²	50	63.5 Å²	63.5	19%	0.189	34%	0.338	C	S	.	.	H	α-helix	trans	-47.1	-47.4	178.8	173.5	-171	179.4	119.1	0.2	112.3	I87 C121 L123 G125 N130 Y131 I132 E148	I87-R128 HydrophobicContact CB-CG 4.4Å; I87-R128 HydrophobicContact CD1-CB 4.37Å; I87-R128 HydrophobicContact CD1-CG 3.76Å; I87-R128 VanDerWaalsContact CD1-NH1 3.25Å; C121-R128 VanDerWaalsContact C-NH1 3.29Å; C121-R128 PolarHBondContact O-NH1 2.93Å; C121-R128 PolarHBondContact O-NH2 2.86Å; L123-R128 PolarHBondContact O-NH1 3.21Å; L123-R128 VanDerWaalsContact O-NH1 3.15Å; G125-R128 VanDerWaalsContact O-CB 3.23Å; G125-R128 WeakPolarHBondContact O-CB 3.43Å; G125-R128 PolarHBondContact O-N 3.41Å; R128-N130 VanDerWaalsContact C-N 3.27Å; R128-N130 PolarHBondContact O-N 3.25Å; R128-Y131 PolarHBondContact O-N 3.44Å; R128-I132 HydrophobicContact CG-CD1 3.45Å; R128-I132 VanDerWaalsContact CG-CD1 3.45Å; R128-I132 HydrophobicContact CG-CG1 4.22Å; R128-I132 VanDerWaalsContact NE-CD1 3.28Å; R128-I132 WeakPolarHBondContact O-CB 3.48Å; R128-I132 WeakPolarHBondContact O-CG1 3.42Å; R128-I132 PolarHBondContact O-N 3.32Å; R128-E148 IonicContact NH2-OE2 2.91Å; R128-E148 PolarHBondContact NH2-OE2 3.46Å
129	N	78.8	Confident	85.1	Confident	115 Å²	115	63.6 Å²	63.6	62%	0.615	34%	0.339	S	S	*	.	H	α-helix	trans	-63.1	-35.2	-173.3	-68.6	-15.5	0	0	0	112	T127 S133	T127-N129 PolarHBondContact O-N 3.01Å; T127-N129 VanDerWaalsContact O-N 3.16Å; N129-S133 WeakPolarHBondContact O-CB 3.38Å; N129-S133 PolarHBondContact O-N 2.96Å
130	N	83.3	Confident	85.3	Confident	111 Å²	111	69 Å²	69	59%	0.594	37%	0.368	S	S	*	.	H	α-helix	trans	-69.3	-44.4	-179.7	-66.7	-6	0	0	0	111.2	T127 R128 S133 Q134	T127-N130 PolarHBondContact O-N 3.14Å; T127-N130 VanDerWaalsContact O-N 3.08Å; R128-N130 VanDerWaalsContact C-N 3.27Å; R128-N130 PolarHBondContact O-N 3.25Å; N130-S133 WeakPolarHBondContact O-CB 3.32Å; N130-S133 PolarHBondContact O-N 3.28Å; N130-Q134 WeakPolarHBondContact O-CB 3.31Å; N130-Q134 PolarHBondContact O-N 2.83Å
131	Y	87.7	Confident	85.6	Confident	47 Å²	47	71.3 Å²	71.3	18%	0.184	38%	0.382	C	S	.	.	H	α-helix	trans	-74.1	-35	-177.8	-49.1	-36.8	0	0	0	112.4	I87 V93 T127 R128 Q134 G135	I87-Y131 WeakPolarHBondContact O-CD2 3.4Å; V93-Y131 HydrophobicContact CG1-CD1 4.43Å; T127-Y131 PolarHBondContact O-N 3.15Å; T127-Y131 WeakPolarHBondContact OG1-CE2 3.36Å; R128-Y131 PolarHBondContact O-N 3.44Å; Y131-Q134 PolarHBondContact O-N 3.45Å; Y131-G135 PolarHBondContact O-N 3.38Å
132	I	89.3	Confident	86	Confident	9 Å²	9	71.7 Å²	71.7	5%	0.046	38%	0.379	C	S	.	.	H	α-helix	trans	-63.9	-44.7	170.8	-69.2	176.6	0	0	0	110.2	I87 R128 Q134 G135 K136 F146 E148	I87-I132 HydrophobicContact CG2-CD1 4.14Å; I87-I132 HydrophobicContact CG2-CG1 3.87Å; R128-I132 HydrophobicContact CG-CD1 3.45Å; R128-I132 VanDerWaalsContact CG-CD1 3.45Å; R128-I132 HydrophobicContact CG-CG1 4.22Å; R128-I132 VanDerWaalsContact NE-CD1 3.28Å; R128-I132 WeakPolarHBondContact O-CB 3.48Å; R128-I132 WeakPolarHBondContact O-CG1 3.42Å; R128-I132 PolarHBondContact O-N 3.32Å; I132-Q134 VanDerWaalsContact C-N 3.29Å; I132-Q134 PolarHBondContact O-N 2.97Å; I132-G135 PolarHBondContact O-N 2.96Å; I132-K136 HydrophobicContact CG2-CD 4.02Å; I132-K136 HydrophobicContact CG2-CG 4.45Å; I132-K136 WeakPolarHBondContact O-CB 3.43Å; I132-K136 WeakPolarHBondContact O-CG 3.4Å; I132-K136 PolarHBondContact O-N 3.42Å; I132-F146 HydrophobicContact CG2-CE1 4.21Å; I132-F146 HydrophobicContact CG2-CZ 4.1Å; I132-E148 WeakPolarHBondContact CD1-OE2 3.24Å; I132-E148 WeakPolarHBondContact CG2-OE1 3.4Å
133	S	92	Very high	86.6	Confident	73 Å²	73	77.9 Å²	77.9	51%	0.51	41%	0.407	S	S	.	.	H	α-helix	trans	-59.1	-42.7	176.8	-173.3	0	0	0	0	111.4	N129 N130 K136 Q137	N129-S133 WeakPolarHBondContact O-CB 3.38Å; N129-S133 PolarHBondContact O-N 2.96Å; N130-S133 WeakPolarHBondContact O-CB 3.32Å; N130-S133 PolarHBondContact O-N 3.28Å; S133-K136 PolarHBondContact O-N 3.32Å; S133-Q137 WeakPolarHBondContact O-CB 3.26Å; S133-Q137 PolarHBondContact O-N 3.17Å
134	Q	93.3	Very high	87.1	Confident	47 Å²	47	76 Å²	76	22%	0.22	40%	0.397	C	S	.	.	H	α-helix	trans	-65.9	-44	176.9	-173.9	178.8	13.3	0	0	112.3	V93 N94 N130 Y131 I132 K136 Q137 Y138	V93-Q134 VanDerWaalsContact CG1-OE1 3.23Å; V93-Q134 HydrophobicContact CG2-CB 4.27Å; V93-Q134 HydrophobicContact CG2-CG 4.07Å; N94-Q134 PolarHBondContact OD1-NE2 2.95Å; N130-Q134 WeakPolarHBondContact O-CB 3.31Å; N130-Q134 PolarHBondContact O-N 2.83Å; Y131-Q134 PolarHBondContact O-N 3.45Å; I132-Q134 VanDerWaalsContact C-N 3.29Å; I132-Q134 PolarHBondContact O-N 2.97Å; Q134-K136 VanDerWaalsContact C-N 3.31Å; Q134-K136 PolarHBondContact O-N 3.47Å; Q134-Q137 WeakPolarHBondContact O-CB 3.47Å; Q134-Q137 PolarHBondContact O-N 3.18Å; Q134-Y138 HydrophobicContact CG-CE2 4.2Å; Q134-Y138 PolarHBondContact NE2-OH 2.82Å; Q134-Y138 PolarHBondContact O-N 3Å
135	G	95.2	Very high	88.2	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-63.1	-37	176.5	0	0	0	0	0	112.8	Y131 I132 Y138 A139 F146	Y131-G135 PolarHBondContact O-N 3.38Å; I132-G135 PolarHBondContact O-N 2.96Å; G135-Y138 PolarHBondContact O-N 2.87Å; G135-A139 PolarHBondContact O-N 2.89Å; G135-F146 VanDerWaalsContact C-CE2 3.47Å
136	K	95.7	Very high	89.6	Confident	87 Å²	87	68.8 Å²	68.8	38%	0.378	36%	0.355	S	S	.	.	H	α-helix	trans	-65.8	-43.4	172.5	-74.9	176.7	-177.3	168.5	0	111.7	I132 S133 Q134 Y138 A139 D140 F146 E148	I132-K136 HydrophobicContact CG2-CD 4.02Å; I132-K136 HydrophobicContact CG2-CG 4.45Å; I132-K136 WeakPolarHBondContact O-CB 3.43Å; I132-K136 WeakPolarHBondContact O-CG 3.4Å; I132-K136 PolarHBondContact O-N 3.42Å; S133-K136 PolarHBondContact O-N 3.32Å; Q134-K136 VanDerWaalsContact C-N 3.31Å; Q134-K136 PolarHBondContact O-N 3.47Å; K136-Y138 VanDerWaalsContact C-N 3.32Å; K136-Y138 PolarHBondContact O-N 3.38Å; K136-A139 WeakPolarHBondContact O-CA 3.31Å; K136-A139 VanDerWaalsContact O-CB 3.31Å; K136-A139 WeakPolarHBondContact O-CB 3.36Å; K136-A139 PolarHBondContact O-N 3.37Å; K136-D140 PolarHBondContact O-N 3.38Å; K136-F146 HydrophobicContact CD-CD1 4.36Å; K136-F146 HydrophobicContact CD-CE1 4.18Å; K136-F146 HydrophobicContact CG-CD1 3.62Å; K136-F146 HydrophobicContact CG-CD2 4.21Å; K136-F146 HydrophobicContact CG-CE1 3.62Å; K136-F146 HydrophobicContact CG-CE2 4.2Å; K136-F146 HydrophobicContact CG-CG 3.93Å; K136-F146 HydrophobicContact CG-CZ 3.92Å; K136-E148 WeakPolarHBondContact CE-OE1 3.29Å; K136-E148 IonicContact NZ-OE1 3.12Å; K136-E148 PolarHBondContact NZ-OE1 2.94Å
137	Q	96.9	Very high	91.3	Very high	108 Å²	108	63.8 Å²	63.8	51%	0.505	32%	0.319	S	S	.	.	H	α-helix	trans	-57.9	-44.7	174.9	-176.4	-180	7.5	0	0	111.7	S133 Q134 A139 D140 D141	S133-Q137 WeakPolarHBondContact O-CB 3.26Å; S133-Q137 PolarHBondContact O-N 3.17Å; Q134-Q137 WeakPolarHBondContact O-CB 3.47Å; Q134-Q137 PolarHBondContact O-N 3.18Å; Q137-A139 VanDerWaalsContact C-N 3.3Å; Q137-A139 PolarHBondContact O-N 2.8Å; Q137-D140 PolarHBondContact O-N 2.74Å; Q137-D141 WeakPolarHBondContact O-CB 3.43Å; Q137-D141 VanDerWaalsContact O-CG 3.22Å; Q137-D141 PolarHBondContact O-N 3.3Å
138	Y	97.4	Very high	92.6	Very high	44 Å²	44	63.4 Å²	63.4	17%	0.173	31%	0.313	C	S	.	.	H	α-helix	trans	-62.1	-37.2	173.6	-73.6	-25.1	0	0	0	113.3	V93 L96 Q134 G135 K136 W142	V93-Y138 HydrophobicContact CG2-CD2 4.4Å; V93-Y138 HydrophobicContact CG2-CE2 4.3Å; V93-Y138 WeakPolarHBondContact O-CE2 3.29Å; L96-Y138 HydrophobicContact CD1-CD2 4.47Å; Q134-Y138 HydrophobicContact CG-CE2 4.2Å; Q134-Y138 PolarHBondContact NE2-OH 2.82Å; Q134-Y138 PolarHBondContact O-N 3Å; G135-Y138 PolarHBondContact O-N 2.87Å; K136-Y138 VanDerWaalsContact C-N 3.32Å; K136-Y138 PolarHBondContact O-N 3.38Å; Y138-W142 AromaticContact CD1-CH2 3.99Å; Y138-W142 HydrophobicContact CD1-CH2 3.99Å; Y138-W142 AromaticContact CD1-CZ2 3.65Å; Y138-W142 HydrophobicContact CD1-CZ2 3.65Å; Y138-W142 AromaticContact CD2-CH2 3.75Å; Y138-W142 HydrophobicContact CD2-CH2 3.75Å; Y138-W142 HydrophobicContact CD2-CZ2 4.26Å; Y138-W142 HydrophobicContact CD2-CZ3 4.3Å; Y138-W142 HydrophobicContact CE1-CZ2 4.12Å; Y138-W142 HydrophobicContact CE2-CH2 4.31Å; Y138-W142 AromaticContact CG-CH2 3.57Å; Y138-W142 HydrophobicContact CG-CH2 3.57Å; Y138-W142 AromaticContact CG-CZ2 3.73Å; Y138-W142 HydrophobicContact CG-CZ2 3.73Å; Y138-W142 HydrophobicContact CG-CZ3 4.06Å; Y138-W142 WeakPolarHBondContact O-CB 3.15Å; Y138-W142 VanDerWaalsContact O-CD2 3.24Å; Y138-W142 PolarHBondContact O-N 3.25Å
139	A	97.6	Very high	93.3	Very high	3 Å²	3	61 Å²	61	3%	0.025	30%	0.304	C	S	.	.	H	α-helix	trans	-62.9	-45.4	175.8	0	0	0	0	0	111.1	I116 G135 K136 Q137 W142 H143 L144 F146	I116-A139 HydrophobicContact CD1-CB 4.06Å; G135-A139 PolarHBondContact O-N 2.89Å; K136-A139 WeakPolarHBondContact O-CA 3.31Å; K136-A139 VanDerWaalsContact O-CB 3.31Å; K136-A139 WeakPolarHBondContact O-CB 3.36Å; K136-A139 PolarHBondContact O-N 3.37Å; Q137-A139 VanDerWaalsContact C-N 3.3Å; Q137-A139 PolarHBondContact O-N 2.8Å; A139-W142 PolarHBondContact O-N 2.96Å; A139-H143 CarbonylContact O-C 3.59Å; A139-H143 WeakPolarHBondContact O-CA 3.23Å; A139-H143 PolarHBondContact O-N 2.98Å; A139-L144 WeakPolarHBondContact CB-O 3.4Å; A139-L144 PolarHBondContact O-N 3.06Å; A139-F146 HydrophobicContact CB-CB 3.69Å; A139-F146 HydrophobicContact CB-CD2 4.38Å; A139-F146 HydrophobicContact CB-CG 4.45Å
140	D	97.8	Very high	93.8	Very high	116 Å²	116	55.6 Å²	55.6	62%	0.62	28%	0.275	S	S	*	.	H	α-helix	trans	-63.6	-50	177.6	-65.2	-26.6	0	0	0	111.5	K136 Q137 W142 H143	K136-D140 PolarHBondContact O-N 3.38Å; Q137-D140 PolarHBondContact O-N 2.74Å; D140-W142 VanDerWaalsContact C-N 3.26Å; D140-W142 PolarHBondContact O-N 3.2Å; D140-H143 PolarHBondContact O-N 3.34Å; D140-H143 PolarHBondContact O-ND1 2.96Å
141	D	97	Very high	93.8	Very high	96 Å²	96	50.5 Å²	50.5	51%	0.513	25%	0.248	S	C	.	.	H	α-helix	trans	-62.1	-32.5	-179.3	-72.6	-17.1	0	0	0	112.5	Q137	Q137-D141 WeakPolarHBondContact O-CB 3.43Å; Q137-D141 VanDerWaalsContact O-CG 3.22Å; Q137-D141 PolarHBondContact O-N 3.3Å
142	W	96.5	Very high	93.5	Very high	40 Å²	40	53.8 Å²	53.8	15%	0.152	26%	0.264	C	S	.	.	H	α-helix	trans	-100.8	1.7	-177.9	-56.6	-18.9	0	0	0	113.6	L96 A97 R100 I116 Y138 A139 D140 L144	L96-W142 HydrophobicContact CB-CH2 4.19Å; L96-W142 HydrophobicContact CB-CZ3 4.32Å; A97-W142 HydrophobicContact CB-CH2 4.12Å; A97-W142 HydrophobicContact CB-CZ2 4.02Å; R100-W142 HydrophobicContact CB-CZ3 4.39Å; R100-W142 VanDerWaalsContact NE-CG 3.32Å; I116-W142 HydrophobicContact CD1-CE3 3.81Å; I116-W142 HydrophobicContact CD1-CZ3 3.86Å; Y138-W142 AromaticContact CD1-CH2 3.99Å; Y138-W142 HydrophobicContact CD1-CH2 3.99Å; Y138-W142 AromaticContact CD1-CZ2 3.65Å; Y138-W142 HydrophobicContact CD1-CZ2 3.65Å; Y138-W142 AromaticContact CD2-CH2 3.75Å; Y138-W142 HydrophobicContact CD2-CH2 3.75Å; Y138-W142 HydrophobicContact CD2-CZ2 4.26Å; Y138-W142 HydrophobicContact CD2-CZ3 4.3Å; Y138-W142 HydrophobicContact CE1-CZ2 4.12Å; Y138-W142 HydrophobicContact CE2-CH2 4.31Å; Y138-W142 AromaticContact CG-CH2 3.57Å; Y138-W142 HydrophobicContact CG-CH2 3.57Å; Y138-W142 AromaticContact CG-CZ2 3.73Å; Y138-W142 HydrophobicContact CG-CZ2 3.73Å; Y138-W142 HydrophobicContact CG-CZ3 4.06Å; Y138-W142 WeakPolarHBondContact O-CB 3.15Å; Y138-W142 VanDerWaalsContact O-CD2 3.24Å; Y138-W142 PolarHBondContact O-N 3.25Å; A139-W142 PolarHBondContact O-N 2.96Å; D140-W142 VanDerWaalsContact C-N 3.26Å; D140-W142 PolarHBondContact O-N 3.2Å; W142-L144 VanDerWaalsContact C-N 3.28Å; W142-L144 HydrophobicContact CB-CD1 4.05Å; W142-L144 HydrophobicContact CB-CG 3.83Å; W142-L144 HydrophobicContact CE3-CD1 4.05Å; W142-L144 PolarHBondContact O-N 3.41Å
143	H	96	Very high	92.5	Very high	172 Å²	172	56 Å²	56	80%	0.796	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.8	44.8	-175.3	-51.2	-49.6	0	0	0	112.8	A139 D140	A139-H143 CarbonylContact O-C 3.59Å; A139-H143 WeakPolarHBondContact O-CA 3.23Å; A139-H143 PolarHBondContact O-N 2.98Å; D140-H143 PolarHBondContact O-N 3.34Å; D140-H143 PolarHBondContact O-ND1 2.96Å
144	L	96.9	Very high	91	Very high	25 Å²	25	57.3 Å²	57.3	13%	0.131	27%	0.272	C	S	.	.			trans	-109.6	157	177.2	-56.3	-175.2	0	0	0	110.2	M114 I116 A139 W142	M114-L144 HydrophobicContact CB-CD1 3.75Å; M114-L144 HydrophobicContact CB-CD2 3.82Å; M114-L144 HydrophobicContact CB-CG 4.42Å; M114-L144 HydrophobicContact CE-CD1 4.4Å; M114-L144 HydrophobicContact CE-CD2 4.43Å; I116-L144 HydrophobicContact CD1-CD1 4.33Å; I116-L144 HydrophobicContact CG1-CB 4.49Å; I116-L144 HydrophobicContact CG1-CD1 4.11Å; A139-L144 WeakPolarHBondContact CB-O 3.4Å; A139-L144 PolarHBondContact O-N 3.06Å; W142-L144 VanDerWaalsContact C-N 3.28Å; W142-L144 HydrophobicContact CB-CD1 4.05Å; W142-L144 HydrophobicContact CB-CG 3.83Å; W142-L144 HydrophobicContact CE3-CD1 4.05Å; W142-L144 PolarHBondContact O-N 3.41Å
145	D	96.3	Very high	89.1	Confident	61 Å²	61	57.4 Å²	57.4	33%	0.326	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	156.1	169.1	-66.2	-9.8	0	0	0	110.2	L115 I116 K176	L115-D145 HydrophobicContact CD1-CB 3.47Å; L115-D145 VanDerWaalsContact CD1-CB 3.47Å; L115-D145 WeakPolarHBondContact CD1-O 3.33Å; I116-D145 PolarHBondContact N-O 2.84Å; D145-K176 VanDerWaalsContact CG-CE 3.44Å; D145-K176 IonicContact OD1-NZ 2.89Å; D145-K176 PolarHBondContact OD1-NZ 3.39Å; D145-K176 WeakPolarHBondContact OD2-CE 3.49Å; D145-K176 IonicContact OD2-NZ 2.84Å; D145-K176 PolarHBondContact OD2-NZ 2.78Å
146	F	96.1	Very high	87	Confident	40 Å²	40	62.8 Å²	62.8	18%	0.175	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	127.2	178.3	179.6	-89.6	0	0	0	110.3	F85 I116 A118 I132 G135 K136 A139 E148	F85-F146 AromaticContact CE1-CE2 3.75Å; F85-F146 HydrophobicContact CE1-CE2 3.75Å; F85-F146 HydrophobicContact CE1-CZ 4.35Å; F85-F146 AromaticContact CZ-CE2 3.96Å; F85-F146 HydrophobicContact CZ-CE2 3.96Å; F85-F146 HydrophobicContact CZ-CZ 4.2Å; I116-F146 HydrophobicContact CB-CD2 4.12Å; I116-F146 HydrophobicContact CG2-CD2 3.72Å; I116-F146 HydrophobicContact CG2-CE2 4.06Å; I116-F146 WeakPolarHBondContact O-CA 3.17Å; A118-F146 HydrophobicContact CB-CE1 4.31Å; A118-F146 HydrophobicContact CB-CE2 4.02Å; A118-F146 HydrophobicContact CB-CZ 3.53Å; I132-F146 HydrophobicContact CG2-CE1 4.21Å; I132-F146 HydrophobicContact CG2-CZ 4.1Å; G135-F146 VanDerWaalsContact C-CE2 3.47Å; K136-F146 HydrophobicContact CD-CD1 4.36Å; K136-F146 HydrophobicContact CD-CE1 4.18Å; K136-F146 HydrophobicContact CG-CD1 3.62Å; K136-F146 HydrophobicContact CG-CD2 4.21Å; K136-F146 HydrophobicContact CG-CE1 3.62Å; K136-F146 HydrophobicContact CG-CE2 4.2Å; K136-F146 HydrophobicContact CG-CG 3.93Å; K136-F146 HydrophobicContact CG-CZ 3.92Å; A139-F146 HydrophobicContact CB-CB 3.69Å; A139-F146 HydrophobicContact CB-CD2 4.38Å; A139-F146 HydrophobicContact CB-CG 4.45Å; F146-E148 HydrophobicContact CD1-CG 4.39Å; F146-E148 HydrophobicContact CE1-CG 3.49Å; F146-E148 VanDerWaalsContact CE1-CG 3.49Å; F146-E148 HydrophobicContact CZ-CG 4.16Å
147	I	93.9	Very high	84.9	Confident	28 Å²	28	62 Å²	62	14%	0.144	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.1	178.1	-61.7	179	0	0	0	110.2	L115 I116 V117 A118 I168 V169 E172	L115-I147 HydrophobicContact CD1-CD1 4Å; L115-I147 HydrophobicContact CD1-CG1 4.01Å; L115-I147 HydrophobicContact CD2-CD1 4Å; I116-I147 PolarHBondContact O-N 2.89Å; V117-I147 CarbonylContact C-O 3.58Å; V117-I147 VanDerWaalsContact CA-O 3.32Å; V117-I147 WeakPolarHBondContact CA-O 3.31Å; A118-I147 PolarHBondContact N-O 3.04Å; I147-I168 HydrophobicContact CD1-CG2 4Å; I147-V169 HydrophobicContact CB-CG2 4.19Å; I147-V169 HydrophobicContact CD1-CG2 4.24Å; I147-V169 HydrophobicContact CG2-CG2 3.8Å; I147-E172 HydrophobicContact CD1-CB 4.36Å
148	E	91.4	Very high	82.7	Confident	60 Å²	60	58 Å²	58	28%	0.28	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	133.2	166.9	-57.5	-176.9	-147.8	0	0	109.3	A118 C121 R128 I132 K136 F146	A118-E148 HydrophobicContact CB-CG 4.3Å; A118-E148 WeakPolarHBondContact O-CA 3.13Å; C121-E148 HydrophobicContact CB-CB 4.4Å; R128-E148 IonicContact NH2-OE2 2.91Å; R128-E148 PolarHBondContact NH2-OE2 3.46Å; I132-E148 WeakPolarHBondContact CD1-OE2 3.24Å; I132-E148 WeakPolarHBondContact CG2-OE1 3.4Å; K136-E148 WeakPolarHBondContact CE-OE1 3.29Å; K136-E148 IonicContact NZ-OE1 3.12Å; K136-E148 PolarHBondContact NZ-OE1 2.94Å; F146-E148 HydrophobicContact CD1-CG 4.39Å; F146-E148 HydrophobicContact CE1-CG 3.49Å; F146-E148 VanDerWaalsContact CE1-CG 3.49Å; F146-E148 HydrophobicContact CZ-CG 4.16Å
149	T	90.3	Very high	80.4	Confident	0 Å²	0	64 Å²	64	0%	0	32%	0.32	C	S	.	.			trans	-149.1	163.9	179	-168.5	0	0	0	0	111.8	L22 V117 A118 N119 K120 C121 T165 F166	L22-T149 HydrophobicContact CD1-CG2 4.41Å; L22-T149 HydrophobicContact CD2-CG2 3.72Å; V117-T149 HydrophobicContact CG1-CG2 3.37Å; A118-T149 PolarHBondContact O-N 3Å; N119-T149 CarbonylContact C-O 3.58Å; N119-T149 VanDerWaalsContact CA-O 3.26Å; N119-T149 WeakPolarHBondContact CA-O 3.45Å; N119-T149 HydrophobicContact CB-CG2 4.45Å; N119-T149 PolarHBondContact OD1-O 3.08Å; K120-T149 PolarHBondContact N-O 3.3Å; K120-T149 VanDerWaalsContact N-O 3.12Å; C121-T149 VanDerWaalsContact CB-O 3.26Å; C121-T149 WeakPolarHBondContact CB-O 3.26Å; C121-T149 PolarHBondContact N-O 2.88Å; C121-T149 PolarHBondContact SG-O 3.28Å; T149-T165 WeakPolarHBondContact OG1-CB 3.26Å; T149-T165 PolarHBondContact OG1-OG1 2.86Å; T149-F166 PolarHBondContact OG1-N 3.12Å
150	S	88.6	Confident	78.2	Confident	0 Å²	0	69.7 Å²	69.7	0%	0	35%	0.354	C	S	.	.			trans	-130.1	124.5	166	173.4	0	0	0	0	108.1	C121 D122 K152 T153	C121-S150 PolarHBondContact SG-N 2.92Å; D122-S150 VanDerWaalsContact OD1-CB 3.3Å; D122-S150 WeakPolarHBondContact OD1-CB 3.42Å; D122-S150 PolarHBondContact OD1-OG 3.39Å; S150-K152 PolarHBondContact O-N 3.31Å; S150-K152 PolarHBondContact OG-N 3.39Å; S150-T153 WeakPolarHBondContact CB-OG1 3.45Å; S150-T153 PolarHBondContact OG-N 3.48Å; S150-T153 VanDerWaalsContact OG-N 3.14Å; S150-T153 PolarHBondContact OG-OG1 3.31Å
151	A	84.7	Confident	76	Confident	4 Å²	4	70.1 Å²	70.1	3%	0.033	36%	0.356	C	S	.	.	S	Bend	trans	-65.7	-18.9	168.7	0	0	0	0	0	112.7	L22 Q25 F31 N119	L22-A151 HydrophobicContact CD2-CB 3.9Å; L22-A151 HydrophobicContact CG-CB 4.17Å; Q25-A151 WeakPolarHBondContact CG-O 3.12Å; Q25-A151 PolarHBondContact NE2-O 2.72Å; F31-A151 HydrophobicContact CD2-CB 4.33Å; F31-A151 WeakPolarHBondContact CD2-O 3.34Å; F31-A151 HydrophobicContact CE2-CB 4.18Å; N119-A151 PolarHBondContact OD1-N 3.35Å
152	K	80.6	Confident	73.8	Confident	117 Å²	117	72.2 Å²	72.2	51%	0.509	37%	0.367	S	S	.	.	S	Bend	trans	-88.8	-46.2	-175.1	-175.4	-179.1	179.6	-177.2	0	112.3	F31 S150	F31-K152 HydrophobicContact CE1-CB 4.33Å; F31-K152 HydrophobicContact CE1-CG 4.01Å; F31-K152 HydrophobicContact CE2-CB 4.03Å; F31-K152 HydrophobicContact CZ-CB 3.9Å; F31-K152 HydrophobicContact CZ-CG 4.06Å; S150-K152 PolarHBondContact O-N 3.31Å; S150-K152 PolarHBondContact OG-N 3.39Å
153	T	68.4	Low	72.1	Confident	54 Å²	54	76.6 Å²	76.6	33%	0.331	38%	0.384	S	S	.	.			trans	-91.5	121.3	-173.5	54.6	0	0	0	0	111.4	D122 S150	D122-T153 HydrophobicContact CB-CG2 3.45Å; D122-T153 VanDerWaalsContact CB-CG2 3.45Å; S150-T153 WeakPolarHBondContact CB-OG1 3.45Å; S150-T153 PolarHBondContact OG-N 3.48Å; S150-T153 VanDerWaalsContact OG-N 3.14Å; S150-T153 PolarHBondContact OG-OG1 3.31Å
154	Y	60.6	Low	70.9	Confident	102 Å²	102	69 Å²	69	40%	0.4	35%	0.351	S	S	.	.			trans	-81.6	104.8	145	-72.6	-95.5	0	0	0	106.4	Q25 S164 F166	Q25-Y154 PolarHBondContact OE1-OH 2.78Å; Q25-Y154 VanDerWaalsContact OE1-OH 3.12Å; Y154-S164 WeakPolarHBondContact CD1-OG 3.49Å; Y154-S164 VanDerWaalsContact CE1-OG 3.23Å; Y154-S164 WeakPolarHBondContact CE1-OG 3.39Å; Y154-F166 HydrophobicContact CE1-CE1 4.19Å; Y154-F166 AromaticContact CE1-CZ 3.84Å; Y154-F166 HydrophobicContact CE1-CZ 3.84Å; Y154-F166 AromaticContact CZ-CZ 3.74Å
155	S	53	Low	70	Confident	48 Å²	48	69.6 Å²	69.6	34%	0.336	36%	0.355	S	S	.	.			trans	-66.2	142.7	168.9	64.3	0	0	0	0	109.2	A157 E158 R159	S155-A157 PolarHBondContact O-N 3.16Å; S155-A157 VanDerWaalsContact O-N 3.15Å; S155-E158 WeakPolarHBondContact CB-OE2 3.48Å; S155-E158 PolarHBondContact N-OE2 3.41Å; S155-E158 WeakPolarHBondContact O-CB 3.18Å; S155-E158 PolarHBondContact O-N 3.34Å; S155-E158 WeakPolarHBondContact OG-CG 3.45Å; S155-E158 PolarHBondContact OG-N 2.82Å; S155-E158 PolarHBondContact OG-OE2 2.81Å; S155-R159 PolarHBondContact O-N 3.49Å
156	D	52.1	Low	69.2	Low	113 Å²	113	67 Å²	67	60%	0.604	34%	0.341	S	S	*	.	H	α-helix	trans	-58.5	-27.5	175.6	-77	-54.3	0	0	0	112.1	R159 V160	D156-R159 WeakPolarHBondContact O-CB 3.4Å; D156-R159 PolarHBondContact O-N 3.36Å; D156-R159 WeakPolarHBondContact OD1-CD 3.35Å; D156-R159 IonicContact OD1-NH1 2.83Å; D156-R159 PolarHBondContact OD1-NH1 2.92Å; D156-R159 VanDerWaalsContact OD1-NH1 3.12Å; D156-V160 PolarHBondContact O-N 3.27Å
157	A	51.1	Low	68.7	Low	72 Å²	72	66.4 Å²	66.4	60%	0.595	34%	0.339	S	S	*	.	H	α-helix	trans	-64.4	-37.1	172.3	0	0	0	0	0	112.7	S155 R159 V160	S155-A157 PolarHBondContact O-N 3.16Å; S155-A157 VanDerWaalsContact O-N 3.15Å; A157-R159 VanDerWaalsContact C-N 3.32Å; A157-V160 PolarHBondContact O-N 3Å
158	E	51.1	Low	68.5	Low	23 Å²	23	68.4 Å²	68.4	11%	0.107	35%	0.35	C	S	.	.	H	α-helix	trans	-68.6	-30	173.6	-73.4	161.6	139.7	0	0	111.8	S155 V160 N161 N162 T165	S155-E158 WeakPolarHBondContact CB-OE2 3.48Å; S155-E158 PolarHBondContact N-OE2 3.41Å; S155-E158 WeakPolarHBondContact O-CB 3.18Å; S155-E158 PolarHBondContact O-N 3.34Å; S155-E158 WeakPolarHBondContact OG-CG 3.45Å; S155-E158 PolarHBondContact OG-N 2.82Å; S155-E158 PolarHBondContact OG-OE2 2.81Å; E158-V160 VanDerWaalsContact C-N 3.29Å; E158-V160 PolarHBondContact O-N 3.28Å; E158-N161 PolarHBondContact O-N 3.24Å; E158-N162 PolarHBondContact O-N 3Å; E158-T165 VanDerWaalsContact OE1-CB 3.29Å; E158-T165 WeakPolarHBondContact OE1-CB 3.45Å; E158-T165 WeakPolarHBondContact OE1-CG2 3.38Å; E158-T165 PolarHBondContact OE1-N 2.9Å; E158-T165 PolarHBondContact OE1-OG1 3.18Å
159	R	49.1	Very low	68.6	Low	171 Å²	171	65.6 Å²	65.6	65%	0.645	34%	0.337	S	S	*	.	H	α-helix	trans	-59.9	-39.1	174	-71.2	175.8	62.1	-153.6	-0.2	112.1	S155 D156 A157 N161 N162	S155-R159 PolarHBondContact O-N 3.49Å; D156-R159 WeakPolarHBondContact O-CB 3.4Å; D156-R159 PolarHBondContact O-N 3.36Å; D156-R159 WeakPolarHBondContact OD1-CD 3.35Å; D156-R159 IonicContact OD1-NH1 2.83Å; D156-R159 PolarHBondContact OD1-NH1 2.92Å; D156-R159 VanDerWaalsContact OD1-NH1 3.12Å; A157-R159 VanDerWaalsContact C-N 3.32Å; R159-N161 VanDerWaalsContact C-N 3.29Å; R159-N161 PolarHBondContact O-N 3.12Å; R159-N162 PolarHBondContact O-N 2.81Å
160	V	50.5	Low	68.8	Low	122 Å²	122	65.7 Å²	65.7	74%	0.739	34%	0.337	S	S	*	.	H	α-helix	trans	-62.8	-40.1	-177.3	178.4	0	0	0	0	110.9	D156 A157 E158	D156-V160 PolarHBondContact O-N 3.27Å; A157-V160 PolarHBondContact O-N 3Å; E158-V160 VanDerWaalsContact C-N 3.29Å; E158-V160 PolarHBondContact O-N 3.28Å
161	N	51.5	Low	69	Low	124 Å²	124	66 Å²	66	66%	0.663	34%	0.339	S	S	*	.	H	α-helix	trans	-90.3	-13.2	-179.2	-67.3	-31.4	0	0	0	113.1	E158 R159 W163	E158-N161 PolarHBondContact O-N 3.24Å; R159-N161 VanDerWaalsContact C-N 3.29Å; R159-N161 PolarHBondContact O-N 3.12Å; N161-W163 PolarHBondContact O-N 3.05Å
162	N	52.1	Low	69.5	Low	140 Å²	140	67.8 Å²	67.8	75%	0.749	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	11.3	-177.3	-125.7	7.9	0	0	0	114.8	E158 R159	E158-N162 PolarHBondContact O-N 3Å; R159-N162 PolarHBondContact O-N 2.81Å
163	W	59.4	Low	70.2	Confident	133 Å²	133	62.2 Å²	62.2	50%	0.504	32%	0.322	S	S	.	.			trans	-120.5	107.7	179.9	-65.1	54.2	0	0	0	108.3	N161 L167 L171	N161-W163 PolarHBondContact O-N 3.05Å; W163-L167 HydrophobicContact CB-CD2 4.43Å; W163-L167 HydrophobicContact CD2-CD2 4.06Å; W163-L167 HydrophobicContact CE3-CD2 4.01Å; W163-L167 HydrophobicContact CE3-CG 4.36Å; W163-L167 HydrophobicContact CG-CD2 4.27Å; W163-L171 HydrophobicContact CE3-CD1 3.7Å; W163-L171 HydrophobicContact CH2-CD1 3.84Å; W163-L171 HydrophobicContact CZ3-CD1 3.08Å
164	S	71.3	Confident	71.5	Confident	13 Å²	13	59.7 Å²	59.7	9%	0.091	31%	0.307	C	S	.	.			trans	-73.1	148.7	170.7	-46.4	0	0	0	0	110.3	Y154 F166 L167 I168	Y154-S164 WeakPolarHBondContact CD1-OG 3.49Å; Y154-S164 VanDerWaalsContact CE1-OG 3.23Å; Y154-S164 WeakPolarHBondContact CE1-OG 3.39Å; S164-F166 PolarHBondContact O-N 3.02Å; S164-F166 VanDerWaalsContact O-N 3.16Å; S164-F166 WeakPolarHBondContact OG-CZ 3.21Å; S164-L167 WeakPolarHBondContact O-CA 3.48Å; S164-L167 VanDerWaalsContact O-CB 3.29Å; S164-L167 WeakPolarHBondContact O-CB 3.14Å; S164-L167 PolarHBondContact O-N 3.03Å; S164-I168 PolarHBondContact O-N 2.87Å
165	T	78.6	Confident	73.1	Confident	37 Å²	37	58.7 Å²	58.7	23%	0.227	31%	0.305	C	S	.	.	H	α-helix	trans	-53.9	-35.5	177.4	42.4	0	0	0	0	113.1	T149 E158 L167 I168 V169	T149-T165 WeakPolarHBondContact OG1-CB 3.26Å; T149-T165 PolarHBondContact OG1-OG1 2.86Å; E158-T165 VanDerWaalsContact OE1-CB 3.29Å; E158-T165 WeakPolarHBondContact OE1-CB 3.45Å; E158-T165 WeakPolarHBondContact OE1-CG2 3.38Å; E158-T165 PolarHBondContact OE1-N 2.9Å; E158-T165 PolarHBondContact OE1-OG1 3.18Å; T165-L167 VanDerWaalsContact C-N 3.32Å; T165-L167 PolarHBondContact O-N 3.47Å; T165-I168 WeakPolarHBondContact O-CB 3.4Å; T165-I168 PolarHBondContact O-N 2.64Å; T165-V169 PolarHBondContact O-N 3.35Å
166	F	78.2	Confident	75.1	Confident	6 Å²	6	58.2 Å²	58.2	3%	0.026	30%	0.297	C	S	.	.	H	α-helix	trans	-66.1	-30.7	174.6	58.7	-101.9	0	0	0	113	L22 Q25 T149 Y154 S164 I168 V169 F170	L22-F166 HydrophobicContact CD2-CB 3.88Å; Q25-F166 HydrophobicContact CB-CD1 4.33Å; Q25-F166 HydrophobicContact CB-CD2 4.01Å; Q25-F166 HydrophobicContact CB-CE1 4.26Å; Q25-F166 HydrophobicContact CB-CE2 3.96Å; Q25-F166 HydrophobicContact CB-CG 4.21Å; Q25-F166 HydrophobicContact CB-CZ 4.08Å; Q25-F166 HydrophobicContact CG-CE1 4.46Å; T149-F166 PolarHBondContact OG1-N 3.12Å; Y154-F166 HydrophobicContact CE1-CE1 4.19Å; Y154-F166 AromaticContact CE1-CZ 3.84Å; Y154-F166 HydrophobicContact CE1-CZ 3.84Å; Y154-F166 AromaticContact CZ-CZ 3.74Å; S164-F166 PolarHBondContact O-N 3.02Å; S164-F166 VanDerWaalsContact O-N 3.16Å; S164-F166 WeakPolarHBondContact OG-CZ 3.21Å; F166-I168 VanDerWaalsContact C-N 3.33Å; F166-V169 WeakPolarHBondContact O-CB 3.39Å; F166-V169 PolarHBondContact O-N 2.95Å; F166-F170 VanDerWaalsContact O-CD2 3.23Å; F166-F170 WeakPolarHBondContact O-CD2 3.23Å; F166-F170 PolarHBondContact O-N 3.34Å
167	L	87	Confident	77.2	Confident	27 Å²	27	52.9 Å²	52.9	14%	0.141	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-41.5	172.5	177.1	59.8	0	0	0	110.5	F26 M47 W163 S164 T165 V169 F170 L171	F26-L167 HydrophobicContact CD2-CD1 4.02Å; F26-L167 HydrophobicContact CE2-CD1 3.7Å; M47-L167 HydrophobicContact CE-CD1 4.43Å; W163-L167 HydrophobicContact CB-CD2 4.43Å; W163-L167 HydrophobicContact CD2-CD2 4.06Å; W163-L167 HydrophobicContact CE3-CD2 4.01Å; W163-L167 HydrophobicContact CE3-CG 4.36Å; W163-L167 HydrophobicContact CG-CD2 4.27Å; S164-L167 WeakPolarHBondContact O-CA 3.48Å; S164-L167 VanDerWaalsContact O-CB 3.29Å; S164-L167 WeakPolarHBondContact O-CB 3.14Å; S164-L167 PolarHBondContact O-N 3.03Å; T165-L167 VanDerWaalsContact C-N 3.32Å; T165-L167 PolarHBondContact O-N 3.47Å; L167-V169 VanDerWaalsContact C-N 3.29Å; L167-V169 PolarHBondContact O-N 3.48Å; L167-F170 PolarHBondContact O-N 3.48Å; L167-L171 HydrophobicContact CD1-CD1 3.92Å; L167-L171 HydrophobicContact CD1-CG 4.03Å; L167-L171 HydrophobicContact CD2-CD1 4.41Å; L167-L171 HydrophobicContact CG-CD1 3.8Å; L167-L171 HydrophobicContact CG-CG 4.31Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 3.48Å
168	I	89.7	Confident	79.2	Confident	70 Å²	70	52.2 Å²	52.2	36%	0.359	25%	0.25	S	S	.	.	H	α-helix	trans	-59.1	-41.9	177.5	-58.3	175.7	0	0	0	110.5	I147 S164 T165 F166 F170 L171 E172	I147-I168 HydrophobicContact CD1-CG2 4Å; S164-I168 PolarHBondContact O-N 2.87Å; T165-I168 WeakPolarHBondContact O-CB 3.4Å; T165-I168 PolarHBondContact O-N 2.64Å; F166-I168 VanDerWaalsContact C-N 3.33Å; I168-F170 PolarHBondContact O-N 3.18Å; I168-L171 PolarHBondContact O-N 3.24Å; I168-E172 VanDerWaalsContact O-CB 3.31Å; I168-E172 WeakPolarHBondContact O-CB 3.38Å; I168-E172 PolarHBondContact O-N 3.44Å
169	V	93.8	Very high	81.1	Confident	2 Å²	2	56.7 Å²	56.7	1%	0.012	27%	0.271	C	S	.	.	H	α-helix	trans	-52.1	-51.9	176.2	169.4	0	0	0	0	111.9	I82 L115 V117 I147 T165 F166 L167 I173	I82-V169 HydrophobicContact CD1-CG1 3.75Å; I82-V169 HydrophobicContact CG1-CG1 4.22Å; I82-V169 HydrophobicContact CG2-CG1 3.9Å; L115-V169 HydrophobicContact CD2-CB 4.27Å; L115-V169 HydrophobicContact CD2-CG1 3.81Å; L115-V169 WeakPolarHBondContact CD2-O 3.39Å; V117-V169 HydrophobicContact CG1-CG2 4.32Å; V117-V169 HydrophobicContact CG2-CB 4.41Å; V117-V169 HydrophobicContact CG2-CG1 3.65Å; V117-V169 HydrophobicContact CG2-CG2 3.83Å; I147-V169 HydrophobicContact CB-CG2 4.19Å; I147-V169 HydrophobicContact CD1-CG2 4.24Å; I147-V169 HydrophobicContact CG2-CG2 3.8Å; T165-V169 PolarHBondContact O-N 3.35Å; F166-V169 WeakPolarHBondContact O-CB 3.39Å; F166-V169 PolarHBondContact O-N 2.95Å; L167-V169 VanDerWaalsContact C-N 3.29Å; L167-V169 PolarHBondContact O-N 3.48Å; V169-I173 WeakPolarHBondContact O-CG2 3.37Å; V169-I173 PolarHBondContact O-N 2.89Å
170	F	94	Very high	83.1	Confident	1 Å²	1	50.6 Å²	50.6	0%	0.004	25%	0.254	C	S	.	.	H	α-helix	trans	-71.9	-35.4	-177.2	-73.1	-83.1	0	0	0	112.8	I9 I11 F26 F56 I58 I82 F166 L167 I168 I173 G174	I9-F170 HydrophobicContact CD1-CD1 4.39Å; I11-F170 HydrophobicContact CD1-CE1 3.82Å; I11-F170 HydrophobicContact CD1-CZ 3.56Å; F26-F170 HydrophobicContact CB-CD2 3.45Å; F26-F170 VanDerWaalsContact CB-CD2 3.45Å; F26-F170 HydrophobicContact CB-CE2 3.25Å; F26-F170 HydrophobicContact CB-CG 4.25Å; F26-F170 HydrophobicContact CB-CZ 3.89Å; F26-F170 HydrophobicContact CD1-CB 4.47Å; F26-F170 HydrophobicContact CD1-CD1 4Å; F26-F170 AromaticContact CD1-CD2 3.94Å; F26-F170 HydrophobicContact CD1-CD2 3.94Å; F26-F170 HydrophobicContact CD1-CE1 4.2Å; F26-F170 HydrophobicContact CD1-CE2 4.17Å; F26-F170 AromaticContact CD1-CG 3.87Å; F26-F170 HydrophobicContact CD1-CG 3.87Å; F26-F170 HydrophobicContact CD1-CZ 4.28Å; F26-F170 HydrophobicContact CD2-CB 3.65Å; F26-F170 HydrophobicContact CD2-CD1 4.48Å; F26-F170 AromaticContact CD2-CD2 3.3Å; F26-F170 HydrophobicContact CD2-CD2 3.3Å; F26-F170 HydrophobicContact CD2-CE2 4.07Å; F26-F170 AromaticContact CD2-CG 3.56Å; F26-F170 HydrophobicContact CD2-CG 3.56Å; F26-F170 HydrophobicContact CE1-CB 4.19Å; F26-F170 HydrophobicContact CE1-CD1 4.07Å; F26-F170 HydrophobicContact CE1-CD2 4.48Å; F26-F170 AromaticContact CE1-CG 3.99Å; F26-F170 HydrophobicContact CE1-CG 3.99Å; F26-F170 HydrophobicContact CE2-CB 3.3Å; F26-F170 AromaticContact CE2-CD2 3.93Å; F26-F170 HydrophobicContact CE2-CD2 3.93Å; F26-F170 AromaticContact CE2-CG 3.69Å; F26-F170 HydrophobicContact CE2-CG 3.69Å; F26-F170 HydrophobicContact CG-CB 4.2Å; F26-F170 HydrophobicContact CG-CD1 4.18Å; F26-F170 AromaticContact CG-CD2 3.27Å; F26-F170 HydrophobicContact CG-CD2 3.27Å; F26-F170 HydrophobicContact CG-CE1 4.41Å; F26-F170 AromaticContact CG-CE2 3.59Å; F26-F170 HydrophobicContact CG-CE2 3.59Å; F26-F170 AromaticContact CG-CG 3.62Å; F26-F170 HydrophobicContact CG-CG 3.62Å; F26-F170 HydrophobicContact CG-CZ 4.14Å; F26-F170 HydrophobicContact CZ-CB 3.58Å; F26-F170 HydrophobicContact CZ-CD1 4.31Å; F26-F170 HydrophobicContact CZ-CD2 4.46Å; F26-F170 AromaticContact CZ-CG 3.88Å; F26-F170 HydrophobicContact CZ-CG 3.88Å; F56-F170 HydrophobicContact CE1-CB 4.46Å; F56-F170 VanDerWaalsContact CE1-O 3.28Å; F56-F170 WeakPolarHBondContact CE1-O 3.36Å; I58-F170 HydrophobicContact CD1-CD1 3.7Å; I58-F170 HydrophobicContact CD1-CE1 3.33Å; I58-F170 HydrophobicContact CD1-CZ 4.03Å; I58-F170 HydrophobicContact CG1-CD1 4.18Å; I58-F170 HydrophobicContact CG1-CE1 3.8Å; I58-F170 HydrophobicContact CG2-CE1 4.11Å; I82-F170 HydrophobicContact CD1-CD1 3.83Å; I82-F170 HydrophobicContact CD1-CE1 3.66Å; I82-F170 HydrophobicContact CD1-CG 4.46Å; I82-F170 HydrophobicContact CD1-CZ 4.15Å; F166-F170 VanDerWaalsContact O-CD2 3.23Å; F166-F170 WeakPolarHBondContact O-CD2 3.23Å; F166-F170 PolarHBondContact O-N 3.34Å; L167-F170 PolarHBondContact O-N 3.48Å; I168-F170 PolarHBondContact O-N 3.18Å; F170-I173 VanDerWaalsContact O-CG2 3.24Å; F170-I173 WeakPolarHBondContact O-CG2 3.3Å; F170-G174 PolarHBondContact O-N 3.38Å
171	L	93	Very high	85	Confident	8 Å²	8	47.5 Å²	47.5	4%	0.042	23%	0.232	C	C	.	.	H	α-helix	trans	-68.7	-38.8	177.2	-65.9	179	0	0	0	111.7	M47 L49 F56 W163 L167 I168 G174 K175	M47-L171 HydrophobicContact SD-CD2 3.67Å; L49-L171 HydrophobicContact CD1-CD2 4.18Å; L49-L171 HydrophobicContact CD2-CD2 4.17Å; F56-L171 HydrophobicContact CZ-CD2 4.16Å; W163-L171 HydrophobicContact CE3-CD1 3.7Å; W163-L171 HydrophobicContact CH2-CD1 3.84Å; W163-L171 HydrophobicContact CZ3-CD1 3.08Å; L167-L171 HydrophobicContact CD1-CD1 3.92Å; L167-L171 HydrophobicContact CD1-CG 4.03Å; L167-L171 HydrophobicContact CD2-CD1 4.41Å; L167-L171 HydrophobicContact CG-CD1 3.8Å; L167-L171 HydrophobicContact CG-CG 4.31Å; L167-L171 WeakPolarHBondContact O-CG 3.43Å; L167-L171 PolarHBondContact O-N 3.48Å; I168-L171 PolarHBondContact O-N 3.24Å; L171-G174 PolarHBondContact O-N 2.94Å; L171-K175 WeakPolarHBondContact O-CG 3.21Å; L171-K175 PolarHBondContact O-N 3.44Å
172	E	94.2	Very high	86.7	Confident	40 Å²	40	47.2 Å²	47.2	19%	0.187	23%	0.228	C	C	.	.	H	α-helix	trans	-69.3	-45.1	-179.4	-162.1	54.2	-137.7	0	0	111.9	L115 I147 I168 G174 K175 K176	L115-E172 HydrophobicContact CD2-CB 4.44Å; I147-E172 HydrophobicContact CD1-CB 4.36Å; I168-E172 VanDerWaalsContact O-CB 3.31Å; I168-E172 WeakPolarHBondContact O-CB 3.38Å; I168-E172 PolarHBondContact O-N 3.44Å; E172-G174 PolarHBondContact O-N 3.28Å; E172-K175 PolarHBondContact O-N 2.89Å; E172-K175 IonicContact OE2-NZ 3.62Å; E172-K175 PolarHBondContact OE2-NZ 2.99Å; E172-K176 WeakPolarHBondContact O-CG 3.36Å; E172-K176 PolarHBondContact O-N 2.9Å; E172-K176 VanDerWaalsContact O-N 3.08Å
173	I	96.2	Very high	88.3	Confident	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.9	-34.6	171.7	-168.3	60.8	0	0	0	111.4	I9 I82 P113 L115 V169 F170 K176 I177	I9-I173 HydrophobicContact CD1-CG2 3.67Å; I9-I173 HydrophobicContact CG1-CG2 4.25Å; I9-I173 HydrophobicContact CG2-CG2 4.44Å; I82-I173 HydrophobicContact CD1-CG2 4.02Å; I82-I173 HydrophobicContact CG1-CB 4.28Å; I82-I173 HydrophobicContact CG1-CG1 4.31Å; I82-I173 HydrophobicContact CG1-CG2 4.05Å; P113-I173 HydrophobicContact CB-CD1 4.16Å; L115-I173 HydrophobicContact CB-CD1 4.27Å; V169-I173 WeakPolarHBondContact O-CG2 3.37Å; V169-I173 PolarHBondContact O-N 2.89Å; F170-I173 VanDerWaalsContact O-CG2 3.24Å; F170-I173 WeakPolarHBondContact O-CG2 3.3Å; I173-K176 PolarHBondContact O-N 3.47Å; I173-I177 HydrophobicContact CG1-CD1 4.24Å; I173-I177 VanDerWaalsContact O-CG1 3.29Å; I173-I177 WeakPolarHBondContact O-CG1 3.49Å; I173-I177 PolarHBondContact O-N 3.43Å
174	G	95.1	Very high	89.2	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.01	21%	0.211	C	C	.	.	H	α-helix	trans	-62.8	-41.1	175.8	0	0	0	0	0	113	F170 L171 E172 R178	F170-G174 PolarHBondContact O-N 3.38Å; L171-G174 PolarHBondContact O-N 2.94Å; E172-G174 PolarHBondContact O-N 3.28Å; G174-R178 VanDerWaalsContact O-CG 3.3Å; G174-R178 WeakPolarHBondContact O-CG 3.2Å; G174-R178 PolarHBondContact O-N 3.03Å; G174-R178 VanDerWaalsContact O-N 3.09Å
175	K	94.2	Very high	89.6	Confident	81 Å²	81	45.7 Å²	45.7	35%	0.352	24%	0.24	S	C	.	.	H	α-helix	trans	-62.4	-49.3	173	-69.8	173.5	-164.7	161.6	0	111.2	L171 E172 I177 R178 E179	L171-K175 WeakPolarHBondContact O-CG 3.21Å; L171-K175 PolarHBondContact O-N 3.44Å; E172-K175 PolarHBondContact O-N 2.89Å; E172-K175 IonicContact OE2-NZ 3.62Å; E172-K175 PolarHBondContact OE2-NZ 2.99Å; K175-I177 VanDerWaalsContact C-N 3.31Å; K175-I177 PolarHBondContact O-N 3.41Å; K175-R178 WeakPolarHBondContact O-CB 3.49Å; K175-R178 PolarHBondContact O-N 3.37Å; K175-E179 WeakPolarHBondContact O-CG 3.34Å; K175-E179 PolarHBondContact O-N 3.29Å
176	K	95.4	Very high	89.1	Confident	39 Å²	39	50.4 Å²	50.4	17%	0.17	26%	0.259	C	S	.	.	H	α-helix	trans	-58.3	-40.7	178.6	-67.5	-175.3	-173.5	-59.8	0	112.8	P113 D145 E172 I173 S180	P113-K176 HydrophobicContact CB-CB 4.03Å; D145-K176 VanDerWaalsContact CG-CE 3.44Å; D145-K176 IonicContact OD1-NZ 2.89Å; D145-K176 PolarHBondContact OD1-NZ 3.39Å; D145-K176 WeakPolarHBondContact OD2-CE 3.49Å; D145-K176 IonicContact OD2-NZ 2.84Å; D145-K176 PolarHBondContact OD2-NZ 2.78Å; E172-K176 WeakPolarHBondContact O-CG 3.36Å; E172-K176 PolarHBondContact O-N 2.9Å; E172-K176 VanDerWaalsContact O-N 3.08Å; I173-K176 PolarHBondContact O-N 3.47Å; K176-S180 WeakPolarHBondContact O-CB 3.27Å; K176-S180 PolarHBondContact O-N 3.15Å
177	I	95.6	Very high	88.6	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-62.2	-47.6	174.7	-67.8	166.2	0	0	0	110.2	L7 I9 E79 P113 I173 K175 E179 S180 H181	L7-I177 HydrophobicContact CB-CD1 4.46Å; L7-I177 HydrophobicContact CD2-CB 4.44Å; L7-I177 HydrophobicContact CD2-CG2 3.82Å; I9-I177 HydrophobicContact CD1-CD1 4.35Å; I9-I177 HydrophobicContact CG1-CD1 3.63Å; E79-I177 HydrophobicContact CB-CD1 4.33Å; E79-I177 HydrophobicContact CB-CG1 4.36Å; E79-I177 HydrophobicContact CB-CG2 3.79Å; P113-I177 HydrophobicContact CB-CG1 3.87Å; P113-I177 HydrophobicContact CG-CG1 4.22Å; I173-I177 HydrophobicContact CG1-CD1 4.24Å; I173-I177 VanDerWaalsContact O-CG1 3.29Å; I173-I177 WeakPolarHBondContact O-CG1 3.49Å; I173-I177 PolarHBondContact O-N 3.43Å; K175-I177 VanDerWaalsContact C-N 3.31Å; K175-I177 PolarHBondContact O-N 3.41Å; I177-E179 PolarHBondContact O-N 3.48Å; I177-S180 WeakPolarHBondContact O-CB 3.45Å; I177-S180 PolarHBondContact O-N 3.39Å; I177-S180 VanDerWaalsContact O-N 3.17Å; I177-S180 PolarHBondContact O-OG 3.23Å; I177-H181 PolarHBondContact O-CD2 2.57Å; I177-H181 PolarHBondContact O-N 3.25Å
178	R	92.7	Very high	87.4	Confident	59 Å²	59	62.2 Å²	62.2	22%	0.223	32%	0.316	C	S	.	.	H	α-helix	trans	-62.6	-41.9	179.6	-71.8	174.3	64.5	-162.9	-0.8	112.2	L7 G174 K175 S180 H181 M182	L7-R178 HydrophobicContact CD2-CG 4.06Å; G174-R178 VanDerWaalsContact O-CG 3.3Å; G174-R178 WeakPolarHBondContact O-CG 3.2Å; G174-R178 PolarHBondContact O-N 3.03Å; G174-R178 VanDerWaalsContact O-N 3.09Å; K175-R178 WeakPolarHBondContact O-CB 3.49Å; K175-R178 PolarHBondContact O-N 3.37Å; R178-S180 VanDerWaalsContact C-N 3.31Å; R178-S180 PolarHBondContact O-N 3.14Å; R178-H181 WeakPolarHBondContact O-CB 3.48Å; R178-H181 PolarHBondContact O-N 2.76Å; R178-M182 WeakPolarHBondContact O-CG 3.48Å; R178-M182 PolarHBondContact O-N 2.77Å
179	E	92.1	Very high	85.8	Confident	116 Å²	116	67.6 Å²	67.6	54%	0.542	33%	0.332	S	S	.	.	H	α-helix	trans	-59.3	-43.4	173.7	-72.3	168	-175.1	0	0	111.2	K175 I177 H181 M182 A183	K175-E179 WeakPolarHBondContact O-CG 3.34Å; K175-E179 PolarHBondContact O-N 3.29Å; I177-E179 PolarHBondContact O-N 3.48Å; E179-H181 VanDerWaalsContact C-N 3.33Å; E179-H181 PolarHBondContact O-N 2.93Å; E179-M182 PolarHBondContact O-N 2.98Å; E179-A183 WeakPolarHBondContact O-CB 3.39Å; E179-A183 PolarHBondContact O-N 3.49Å
180	S	91.1	Very high	83.7	Confident	43 Å²	43	76.8 Å²	76.8	30%	0.301	37%	0.372	S	S	.	.	H	α-helix	trans	-63.1	-38.9	176	82.2	0	0	0	0	112.6	K176 I177 R178 S184	K176-S180 WeakPolarHBondContact O-CB 3.27Å; K176-S180 PolarHBondContact O-N 3.15Å; I177-S180 WeakPolarHBondContact O-CB 3.45Å; I177-S180 PolarHBondContact O-N 3.39Å; I177-S180 VanDerWaalsContact O-N 3.17Å; I177-S180 PolarHBondContact O-OG 3.23Å; R178-S180 VanDerWaalsContact C-N 3.31Å; R178-S180 PolarHBondContact O-N 3.14Å; S180-S184 PolarHBondContact O-N 3.1Å; S180-S184 VanDerWaalsContact O-N 3.07Å
181	H	89.9	Confident	81.5	Confident	57 Å²	57	82.9 Å²	82.9	26%	0.264	41%	0.409	S	S	.	.	H	α-helix	trans	-63.3	-46.3	174.3	-67.9	177	0	0	0	110.9	E79 I177 R178 E179 A183 S184 I185	E79-H181 IonicContact OE2-CE1 3.92Å; I177-H181 PolarHBondContact O-CD2 2.57Å; I177-H181 PolarHBondContact O-N 3.25Å; R178-H181 WeakPolarHBondContact O-CB 3.48Å; R178-H181 PolarHBondContact O-N 2.76Å; E179-H181 VanDerWaalsContact C-N 3.33Å; E179-H181 PolarHBondContact O-N 2.93Å; H181-A183 PolarHBondContact O-N 2.83Å; H181-S184 PolarHBondContact O-N 3.03Å; H181-S184 PolarHBondContact O-OG 3.5Å; H181-I185 WeakPolarHBondContact O-CG1 3.23Å; H181-I185 PolarHBondContact O-N 3.06Å
182	M	86.8	Confident	79.2	Confident	118 Å²	118	89.5 Å²	89.5	58%	0.581	44%	0.439	S	S	*	.	H	α-helix	trans	-63.6	-42	179	-67.4	179.2	100.6	0	0	112.3	R178 E179 S184 I185 Q186	R178-M182 WeakPolarHBondContact O-CG 3.48Å; R178-M182 PolarHBondContact O-N 2.77Å; E179-M182 PolarHBondContact O-N 2.98Å; M182-S184 VanDerWaalsContact C-N 3.32Å; M182-S184 PolarHBondContact O-N 3.19Å; M182-I185 PolarHBondContact O-N 2.91Å; M182-Q186 PolarHBondContact O-N 3.47Å; M182-Q186 VanDerWaalsContact O-N 3.11Å
183	A	85	Confident	76.7	Confident	52 Å²	52	94.7 Å²	94.7	43%	0.43	47%	0.469	S	S	.	.	H	α-helix	trans	-62.2	-39.2	176	0	0	0	0	0	112.1	E179 H181 I185 Q186 Y187	E179-A183 WeakPolarHBondContact O-CB 3.39Å; E179-A183 PolarHBondContact O-N 3.49Å; H181-A183 PolarHBondContact O-N 2.83Å; A183-I185 VanDerWaalsContact C-N 3.32Å; A183-I185 PolarHBondContact O-N 3.4Å; A183-Q186 PolarHBondContact O-N 2.93Å; A183-Y187 PolarHBondContact O-N 2.84Å
184	S	80.2	Confident	74.4	Confident	66 Å²	66	103.9 Å²	103.9	46%	0.462	51%	0.505	S	S	.	.	H	α-helix	trans	-68.3	-28.9	178.2	75.1	0	0	0	0	113.8	S180 H181 M182 Y187	S180-S184 PolarHBondContact O-N 3.1Å; S180-S184 VanDerWaalsContact O-N 3.07Å; H181-S184 PolarHBondContact O-N 3.03Å; H181-S184 PolarHBondContact O-OG 3.5Å; M182-S184 VanDerWaalsContact C-N 3.32Å; M182-S184 PolarHBondContact O-N 3.19Å; S184-Y187 CarbonylContact O-C 3.5Å
185	I	78	Confident	71.9	Confident	137 Å²	137	113.4 Å²	113.4	70%	0.703	55%	0.546	S	S	*	.	H	α-helix	trans	-74	-41.9	175.1	-67.2	165	0	0	0	110.3	H181 M182 A183	H181-I185 WeakPolarHBondContact O-CG1 3.23Å; H181-I185 PolarHBondContact O-N 3.06Å; M182-I185 PolarHBondContact O-N 2.91Å; A183-I185 VanDerWaalsContact C-N 3.32Å; A183-I185 PolarHBondContact O-N 3.4Å
186	Q	69.6	Low	69.3	Low	136 Å²	136	121.1 Å²	121.1	64%	0.636	57%	0.573	S	S	*	*	H	α-helix	trans	-70.6	-35.6	179.4	-70.6	-177.8	-1.9	0	0	112.5	M182 A183	M182-Q186 PolarHBondContact O-N 3.47Å; M182-Q186 VanDerWaalsContact O-N 3.11Å; A183-Q186 PolarHBondContact O-N 2.93Å
187	Y	66.4	Low	66.9	Low	177 Å²	177	130.7 Å²	130.7	69%	0.694	61%	0.608	S	S	*	*	S	Bend	trans	-129.4	80.7	-177.9	-61.2	-81.5	0	0	0	110.4	A183 S184 R189	A183-Y187 PolarHBondContact O-N 2.84Å; S184-Y187 CarbonylContact O-C 3.5Å; Y187-R189 PolarHBondContact O-N 3.41Å; Y187-R189 VanDerWaalsContact O-N 3.14Å
188	P	61.9	Low	64.4	Low	103 Å²	103	140.6 Å²	140.6	67%	0.669	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-59.8	121.9	177	22.9	-31.5	0	0	0	109.4	K190	P188-K190 PolarHBondContact O-N 3.34Å
189	R	55.9	Low	62	Low	183 Å²	183	147.3 Å²	147.3	69%	0.691	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-56.8	129.5	176.9	-69	-175.7	180	-173.1	-0.3	108.5	S109 Y187 V191	S109-R189 PolarHBondContact OG-NH2 3.12Å; Y187-R189 PolarHBondContact O-N 3.41Å; Y187-R189 VanDerWaalsContact O-N 3.14Å; R189-V191 PolarHBondContact O-N 2.95Å
190	K	50.4	Low	59.5	Low	196 Å²	196	147.4 Å²	147.4	85%	0.852	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-56.6	126.1	166.3	-78.9	-176.9	177.8	176.9	0	107.1	P188 E192	P188-K190 PolarHBondContact O-N 3.34Å; K190-E192 VanDerWaalsContact C-N 3.26Å; K190-E192 PolarHBondContact O-N 3.4Å
191	V	48.8	Very low	57.7	Low	129 Å²	129	150.9 Å²	150.9	78%	0.782	71%	0.713	S	S	*	*			trans	-63.7	94.9	169.3	-177.2	0	0	0	0	106.2	R189 N193	R189-V191 PolarHBondContact O-N 2.95Å; V191-N193 PolarHBondContact O-N 2.93Å
192	E	43.9	Very low	55.7	Low	146 Å²	146	155.6 Å²	155.6	68%	0.682	74%	0.739	S	S	*	*			trans	-65.4	108.5	170.7	-81.9	-170.6	157.6	0	0	107.3	K190 Y194	K190-E192 VanDerWaalsContact C-N 3.26Å; K190-E192 PolarHBondContact O-N 3.4Å; E192-Y194 HydrophobicContact CB-CD2 4.43Å; E192-Y194 HydrophobicContact CB-CE2 4.46Å; E192-Y194 PolarHBondContact O-N 3.4Å
193	N	42.2	Very low	54.1	Low	149 Å²	149	160.9 Å²	160.9	80%	0.797	77%	0.768	S	S	*	*			trans	-60.1	89.3	169.9	-79.2	-51.3	0	0	0	108.3	V191 K195	V191-N193 PolarHBondContact O-N 2.93Å; N193-K195 PolarHBondContact O-N 2.65Å
194	Y	47	Very low	52.5	Low	194 Å²	194	166.3 Å²	166.3	76%	0.761	79%	0.785	S	S	*	*			trans	-60.1	109.6	177.9	-99.3	-94.5	0	0	0	109	E192 R196	E192-Y194 HydrophobicContact CB-CD2 4.43Å; E192-Y194 HydrophobicContact CB-CE2 4.46Å; E192-Y194 PolarHBondContact O-N 3.4Å; Y194-R196 PolarHBondContact O-N 3.15Å
195	K	42	Very low	51.1	Low	201 Å²	201	171.6 Å²	171.6	87%	0.874	80%	0.802	S	S	*	*			trans	-50.2	115.2	172.5	-74.8	177	176.9	172.8	0	108.1	N193 R197	N193-K195 PolarHBondContact O-N 2.65Å; K195-R197 PolarHBondContact O-N 3.16Å; K195-R197 VanDerWaalsContact O-N 3.1Å
196	R	41.3	Very low	49.6	Very low	242 Å²	242	173.5 Å²	173.5	91%	0.913	81%	0.808	S	S	*	*			trans	-41.7	119.9	171.2	-84.1	178.3	170.2	176.6	-3	108.8	Y194 K198	Y194-R196 PolarHBondContact O-N 3.15Å; R196-K198 PolarHBondContact O-N 3.32Å
197	R	43.4	Very low	48.4	Very low	241 Å²	241	175.7 Å²	175.7	91%	0.909	82%	0.818	S	S	*	*			trans	-43.6	117.6	173.5	-81.2	177.9	157.9	-176.8	-6.8	108.7	K195 K199	K195-R197 PolarHBondContact O-N 3.16Å; K195-R197 VanDerWaalsContact O-N 3.1Å; R197-K199 PolarHBondContact O-N 3.02Å; R197-K199 VanDerWaalsContact O-N 3.12Å
198	K	44.1	Very low	47.3	Very low	207 Å²	207	175.6 Å²	175.6	90%	0.9	83%	0.825	S	S	*	*			trans	-56	118.9	169.9	-73	-175.2	176	-177.4	0	106.6	R196 C200	R196-K198 PolarHBondContact O-N 3.32Å; K198-C200 PolarHBondContact O-N 3.26Å
199	K	41.9	Very low	46.3	Very low	201 Å²	201	180.5 Å²	180.5	87%	0.874	84%	0.836	S	S	*	*			trans	-53.8	114.8	170.5	-77.7	-177.5	173.5	-177	0	106.9	R197 T201	R197-K199 PolarHBondContact O-N 3.02Å; R197-K199 VanDerWaalsContact O-N 3.12Å; K199-T201 PolarHBondContact O-N 3.33Å
200	C	38.7	Very low	45.6	Very low	117 Å²	117	180.3 Å²	180.3	79%	0.791	85%	0.846	S	S	*	*			trans	-71	105.7	168.4	-156	0	0	0	0	105.9	K198 I202	K198-C200 PolarHBondContact O-N 3.26Å; C200-I202 PolarHBondContact O-N 3.08Å
201	T	53.3	Low	45.3	Very low	117 Å²	117	179.1 Å²	179.1	72%	0.718	85%	0.846	S	S	*	*			trans	-74.1	108.9	168.6	-60.5	0	0	0	0	106.3	K199 L203	K199-T201 PolarHBondContact O-N 3.33Å; T201-L203 PolarHBondContact O-N 3.26Å
202	I	48.6	Very low	45	Very low	156 Å²	156	183.3 Å²	183.3	80%	0.8	85%	0.851	S	S	*	*			trans	-72.8	111.5	167.3	-57.3	169.2	0	0	0	105.1	C200	C200-I202 PolarHBondContact O-N 3.08Å
203	L	53.1	Low	45.1	Very low	228 Å²	228	186.6 Å²	186.6	100%	1.194	87%	0.866	S	S	*	*			trans	-82.6	0	156.2	-78.1	169.2	0	0	0	108.1	T201	T201-L203 PolarHBondContact O-N 3.26Å

Retrieved 203 of 203 residues in 240.5 ms (Link to these results)

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