A0A087YG56_POEFO Loading...

tRNA wybutosine-synthesizing protein 2 homolog

S-adenosyl-L-methionine-dependent transferase that acts as a component of the wybutosine biosynthesis pathway. Wybutosine is a hyper modified guanosine with a tricyclic base found at the 3'-position adjacent to the anticodon of eukaryotic phenylalanine tRNA. Catalyzes the transfer of the alpha-amino-alpha-carboxypropyl (acp) group from S-adenosyl-L-methionine to the C-7 position of 4-demethylwyosine (imG-14) to produce wybutosine-86.

AlphaFold DB , UniProt , Accession A0A087YG56, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 403 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure 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	T	35.3	Very low	44.2	Very low	195 Å²	195	125.8 Å²	125.8	100%	1.196	63%	0.627	S	S	*	*				0	89.3	0	30.4	0	0	0	0	109.5	R3	T1-R3 PolarHBondContact O-N 3.04Å
2	K	29.5	Very low	46.8	Very low	209 Å²	209	115.4 Å²	115.4	91%	0.909	58%	0.575	S	S	*	*			trans	-68.6	127.5	-179.2	-81.9	179.1	173.6	178.3	0	109.7	K4	K2-K4 PolarHBondContact O-N 3Å
3	R	30.3	Very low	48.9	Very low	236 Å²	236	106.6 Å²	106.6	89%	0.891	53%	0.531	S	S	*	.			trans	-60.1	123.2	172.1	-67.6	177.3	-158.9	-177.4	5.1	108.6	T1 S5	T1-R3 PolarHBondContact O-N 3.04Å; R3-S5 PolarHBondContact O-N 3.31Å
4	K	30.6	Very low	50.9	Low	199 Å²	199	101.6 Å²	101.6	87%	0.865	51%	0.507	S	S	*	.			trans	-70.7	78.8	164.5	-76.1	175.9	172.8	176.1	0	108.1	K2	K2-K4 PolarHBondContact O-N 3Å
5	S	38.1	Very low	52.5	Low	89 Å²	89	94.9 Å²	94.9	62%	0.622	47%	0.474	S	S	*	.			trans	-86.5	137	157.4	48.5	0	0	0	0	107.8	R3	R3-S5 PolarHBondContact O-N 3.31Å
6	D	35.2	Very low	54.1	Low	146 Å²	146	96.1 Å²	96.1	78%	0.781	48%	0.475	S	S	*	.			trans	91.2	59.3	173.3	-47.1	-22.5	0	0	0	116.8
7	L	40	Very low	55.2	Low	98 Å²	98	95.1 Å²	95.1	51%	0.513	47%	0.472	S	S	.	.			trans	-100.3	97	148.9	-84	154.8	0	0	0	107.6	I9 Q79	L7-I9 HydrophobicContact CB-CG1 4.25Å; L7-I9 WeakPolarHBondContact O-CG1 3.4Å; L7-I9 PolarHBondContact O-N 3.11Å; L7-Q79 HydrophobicContact CD2-CG 3.89Å
8	N	54.3	Low	56.2	Low	124 Å²	124	98.2 Å²	98.2	66%	0.663	49%	0.487	S	S	*	.			trans	-68.6	99.3	164	-77.4	-24.9	0	0	0	107.3	S80	N8-S80 VanDerWaalsContact CB-OG 3.32Å; N8-S80 WeakPolarHBondContact CB-OG 3.43Å; N8-S80 PolarHBondContact O-N 3.37Å; N8-S80 PolarHBondContact O-OG 2.86Å
9	I	59	Low	57.2	Low	79 Å²	79	96.1 Å²	96.1	41%	0.405	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	125.2	-179.9	-36.6	170.6	0	0	0	109	L7 P53 W77 S78	L7-I9 HydrophobicContact CB-CG1 4.25Å; L7-I9 WeakPolarHBondContact O-CG1 3.4Å; L7-I9 PolarHBondContact O-N 3.11Å; I9-P53 WeakPolarHBondContact O-CG 3.46Å; I9-W77 HydrophobicContact CB-CE3 4.04Å; I9-W77 HydrophobicContact CB-CZ3 4.43Å; I9-W77 HydrophobicContact CD1-CE3 4.44Å; I9-W77 HydrophobicContact CG2-CB 4.02Å; I9-W77 HydrophobicContact CG2-CD2 4.34Å; I9-W77 HydrophobicContact CG2-CE3 3.49Å; I9-W77 VanDerWaalsContact CG2-CE3 3.49Å; I9-W77 HydrophobicContact CG2-CZ3 4.34Å; I9-S78 WeakPolarHBondContact CG2-O 3.44Å
10	I	64.8	Low	58.1	Low	4 Å²	4	92.2 Å²	92.2	2%	0.021	46%	0.458	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	131	172.3	-60.5	178.9	0	0	0	106.9	V12 F37 P50 S78 S80 P81	I10-V12 HydrophobicContact CG2-CG2 4.03Å; I10-F37 HydrophobicContact CD1-CB 4.39Å; I10-F37 HydrophobicContact CD1-CD1 3.56Å; I10-F37 HydrophobicContact CD1-CD2 3.25Å; I10-F37 HydrophobicContact CD1-CE1 3.52Å; I10-F37 HydrophobicContact CD1-CE2 3.2Å; I10-F37 HydrophobicContact CD1-CG 3.43Å; I10-F37 VanDerWaalsContact CD1-CG 3.43Å; I10-F37 HydrophobicContact CD1-CZ 3.35Å; I10-F37 HydrophobicContact CG1-CD2 4.42Å; I10-F37 HydrophobicContact CG1-CE2 4.14Å; I10-F37 HydrophobicContact CG1-CZ 4.35Å; I10-P50 HydrophobicContact CG2-CB 3.92Å; I10-S78 PolarHBondContact N-O 3.02Å; I10-S78 PolarHBondContact O-N 3.46Å; I10-S78 VanDerWaalsContact O-N 3.13Å; I10-S80 WeakPolarHBondContact CD1-OG 3.33Å; I10-S80 WeakPolarHBondContact CG1-OG 3.25Å; I10-P81 HydrophobicContact CD1-CG 4.23Å
11	V	69.6	Low	59.1	Low	5 Å²	5	91.6 Å²	91.6	3%	0.03	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	129.3	170.2	178.6	0	0	0	0	107.7	I51 L56 F75 W77	V11-I51 VanDerWaalsContact O-CB 3.26Å; V11-I51 WeakPolarHBondContact O-CB 3.34Å; V11-I51 PolarHBondContact O-N 2.71Å; V11-L56 HydrophobicContact CB-CD2 3.78Å; V11-L56 HydrophobicContact CG1-CD2 3.88Å; V11-L56 HydrophobicContact CG2-CD1 3.83Å; V11-L56 HydrophobicContact CG2-CD2 3.53Å; V11-L56 HydrophobicContact CG2-CG 4.23Å; V11-F75 HydrophobicContact CG1-CD1 3.97Å; V11-W77 HydrophobicContact CG2-CD2 3.84Å; V11-W77 HydrophobicContact CG2-CE3 3.52Å; V11-W77 HydrophobicContact CG2-CH2 3.6Å; V11-W77 HydrophobicContact CG2-CZ2 3.87Å; V11-W77 HydrophobicContact CG2-CZ3 3.41Å; V11-W77 VanDerWaalsContact CG2-CZ3 3.41Å
12	V	74.8	Confident	61.1	Low	1 Å²	1	85.1 Å²	85.1	1%	0.006	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.5	-173.3	-174.1	0	0	0	0	109.3	I10 L48 L49 F75 T76	I10-V12 HydrophobicContact CG2-CG2 4.03Å; V12-L48 HydrophobicContact CB-CD2 4.08Å; V12-L48 HydrophobicContact CG1-CB 3.35Å; V12-L48 HydrophobicContact CG1-CD1 4.42Å; V12-L48 HydrophobicContact CG1-CD2 3.28Å; V12-L48 HydrophobicContact CG1-CG 3.78Å; V12-L49 WeakPolarHBondContact CA-O 3.02Å; V12-L49 WeakPolarHBondContact CG1-O 3.25Å; V12-F75 WeakPolarHBondContact O-CA 3.5Å; V12-T76 HydrophobicContact CB-CG2 4.26Å; V12-T76 PolarHBondContact N-O 3.48Å; V12-T76 PolarHBondContact O-N 2.99Å
13	S	74.6	Confident	63.3	Low	1 Å²	1	75.2 Å²	75.2	1%	0.007	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.5	168	168.5	0	0	0	0	108.8	L49 C73	S13-L49 PolarHBondContact N-O 3.28Å; S13-L49 VanDerWaalsContact N-O 3.08Å; S13-L49 PolarHBondContact O-N 3.29Å; S13-C73 PolarHBondContact OG-SG 3.2Å
14	L	76.6	Confident	65.8	Low	37 Å²	37	68.7 Å²	68.7	19%	0.194	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	126	172.2	-79.6	159.8	0	0	0	108.9	T46 V47 L48 C73 D74 T76	L14-T46 HydrophobicContact CD2-CG2 4.45Å; L14-T46 WeakPolarHBondContact CD2-OG1 3.49Å; L14-V47 WeakPolarHBondContact CA-O 3.02Å; L14-L48 HydrophobicContact CD2-CD2 3.23Å; L14-L48 HydrophobicContact CD2-CG 4.15Å; L14-L48 HydrophobicContact CG-CD2 3.65Å; L14-C73 VanDerWaalsContact O-CA 3.29Å; L14-C73 WeakPolarHBondContact O-CA 3.41Å; L14-D74 HydrophobicContact CB-CB 4.41Å; L14-D74 WeakPolarHBondContact CB-O 3.23Å; L14-D74 HydrophobicContact CD1-CB 4.32Å; L14-D74 PolarHBondContact N-O 2.76Å; L14-D74 PolarHBondContact O-N 3.18Å; L14-T76 HydrophobicContact CD1-CG2 4.02Å; L14-T76 HydrophobicContact CG-CG2 4.37Å
15	V	75.4	Confident	68.2	Low	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	141.6	174.9	-68.6	0	0	0	0	110.4	N17 T46 V47 L49 L68 V72	V15-N17 PolarHBondContact O-N 3.32Å; V15-T46 CarbonylContact O-C 3.59Å; V15-V47 HydrophobicContact CG2-CB 4.19Å; V15-V47 PolarHBondContact N-O 3.19Å; V15-V47 PolarHBondContact O-N 3.15Å; V15-L49 HydrophobicContact CG1-CD1 4.4Å; V15-L49 HydrophobicContact CG2-CD1 3.88Å; V15-L49 HydrophobicContact CG2-CD2 4.25Å; V15-L49 HydrophobicContact CG2-CG 3.9Å; V15-L68 HydrophobicContact CG1-CD1 3.91Å; V15-V72 WeakPolarHBondContact CA-O 3.37Å
16	K	76.9	Confident	70.3	Confident	115 Å²	115	62.3 Å²	62.3	50%	0.5	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	141	171.2	-74.3	-175.6	178.8	176.1	0	109.7	M18 H19 S20 V72	K16-M18 PolarHBondContact O-N 2.76Å; K16-H19 PolarHBondContact O-N 3.47Å; K16-S20 PolarHBondContact O-N 3.24Å; K16-V72 HydrophobicContact CB-CG1 3.96Å; K16-V72 HydrophobicContact CD-CG1 4.44Å; K16-V72 HydrophobicContact CG-CG1 4.13Å
17	N	73.6	Confident	72.4	Confident	78 Å²	78	55.4 Å²	55.4	42%	0.417	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-48	-40.6	-173.5	-172.2	20.5	0	0	0	114.1	V15 H19 S20 G45 V47	V15-N17 PolarHBondContact O-N 3.32Å; N17-H19 PolarHBondContact O-N 3.03Å; N17-S20 WeakPolarHBondContact O-CB 3.47Å; N17-S20 PolarHBondContact O-N 2.83Å; N17-S20 PolarHBondContact O-OG 2.91Å; N17-G45 WeakPolarHBondContact CB-O 3.39Å; N17-G45 PolarHBondContact N-O 3.03Å; N17-V47 HydrophobicContact CB-CG2 4.05Å
18	M	73.1	Confident	74.5	Confident	152 Å²	152	53.5 Å²	53.5	75%	0.749	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-62.3	-21.6	178.1	70.7	179.5	69	0	0	114.6	K16	K16-M18 PolarHBondContact O-N 2.76Å
19	H	74.4	Confident	75.8	Confident	58 Å²	58	51.9 Å²	51.9	27%	0.269	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-108	1.2	179.2	-58.4	-68.8	0	0	0	113.5	K16 N17 S21 S22 G23 V72	K16-H19 PolarHBondContact O-N 3.47Å; N17-H19 PolarHBondContact O-N 3.03Å; H19-S21 VanDerWaalsContact C-N 3.31Å; H19-S21 PolarHBondContact O-N 3.07Å; H19-S22 PolarHBondContact O-N 2.96Å; H19-G23 PolarHBondContact O-N 2.83Å; H19-V72 HydrophobicContact CB-CG1 4.37Å
20	S	75.2	Confident	76.7	Confident	18 Å²	18	55.9 Å²	55.9	13%	0.126	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-33.5	-175.3	65	0	0	0	0	114	K16 N17 R24	K16-S20 PolarHBondContact O-N 3.24Å; N17-S20 WeakPolarHBondContact O-CB 3.47Å; N17-S20 PolarHBondContact O-N 2.83Å; N17-S20 PolarHBondContact O-OG 2.91Å; S20-R24 VanDerWaalsContact O-CB 3.28Å; S20-R24 WeakPolarHBondContact O-CB 3.43Å; S20-R24 PolarHBondContact O-N 3.43Å
21	S	79.1	Confident	77.5	Confident	79 Å²	79	58.4 Å²	58.4	55%	0.552	31%	0.308	S	S	*	.	H	α-helix	trans	-65.9	-45.4	175.1	-61.4	0	0	0	0	112.2	H19 R24 M25	H19-S21 VanDerWaalsContact C-N 3.31Å; H19-S21 PolarHBondContact O-N 3.07Å; S21-R24 PolarHBondContact O-N 3.28Å; S21-M25 WeakPolarHBondContact O-CG 3.41Å; S21-M25 PolarHBondContact O-N 2.91Å
22	S	77.8	Confident	78.1	Confident	59 Å²	59	58.6 Å²	58.6	41%	0.413	31%	0.309	S	S	.	.	H	α-helix	trans	-67	-43.7	179.4	-54.3	0	0	0	0	111.6	H19 R24 M25 Y26	H19-S22 PolarHBondContact O-N 2.96Å; S22-R24 VanDerWaalsContact C-N 3.33Å; S22-R24 PolarHBondContact O-N 3.49Å; S22-M25 PolarHBondContact O-N 3.39Å; S22-Y26 PolarHBondContact O-N 2.65Å
23	G	76.9	Confident	78.5	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.01	31%	0.312	C	S	.	.	H	α-helix	trans	-62.6	-40.5	176.5	0	0	0	0	0	112.4	H19 Y26 L27	H19-G23 PolarHBondContact O-N 2.83Å; G23-Y26 PolarHBondContact O-N 3.44Å; G23-L27 WeakPolarHBondContact O-CG 3.32Å; G23-L27 PolarHBondContact O-N 3.33Å; G23-L27 VanDerWaalsContact O-N 3.08Å
24	R	82.4	Confident	78.8	Confident	99 Å²	99	60.5 Å²	60.5	37%	0.374	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-47.2	174.3	179	-179.3	173.9	-170.1	-2.1	112	S20 S21 S22 Y26 L27 Q28 F33	S20-R24 VanDerWaalsContact O-CB 3.28Å; S20-R24 WeakPolarHBondContact O-CB 3.43Å; S20-R24 PolarHBondContact O-N 3.43Å; S21-R24 PolarHBondContact O-N 3.28Å; S22-R24 VanDerWaalsContact C-N 3.33Å; S22-R24 PolarHBondContact O-N 3.49Å; R24-Y26 VanDerWaalsContact C-N 3.33Å; R24-Y26 PolarHBondContact O-N 3.32Å; R24-L27 PolarHBondContact O-N 2.82Å; R24-Q28 HydrophobicContact CG-CG 4.25Å; R24-Q28 WeakPolarHBondContact O-CB 3.47Å; R24-Q28 VanDerWaalsContact O-CG 3.23Å; R24-Q28 WeakPolarHBondContact O-CG 3.14Å; R24-Q28 PolarHBondContact O-N 3.46Å; R24-F33 HydrophobicContact CG-CD2 4.32Å; R24-F33 HydrophobicContact CG-CE2 4.11Å; R24-F33 HydrophobicContact CG-CZ 4.31Å
25	M	81.5	Confident	78.9	Confident	116 Å²	116	67 Å²	67	57%	0.571	34%	0.341	S	S	*	.	H	α-helix	trans	-60.6	-42.7	179.8	-79.6	-172	-78.6	0	0	111.7	S21 S22 Q28 S29	S21-M25 WeakPolarHBondContact O-CG 3.41Å; S21-M25 PolarHBondContact O-N 2.91Å; S22-M25 PolarHBondContact O-N 3.39Å; M25-Q28 PolarHBondContact O-N 3.22Å; M25-S29 WeakPolarHBondContact O-CB 3.28Å; M25-S29 PolarHBondContact O-N 2.99Å
26	Y	80.4	Confident	78.7	Confident	38 Å²	38	69.8 Å²	69.8	15%	0.149	36%	0.36	C	S	.	.	H	α-helix	trans	-58.6	-54	175	179.3	-86	0	0	0	111.7	S22 G23 R24 Q28 S29 R30 L64 T67	S22-Y26 PolarHBondContact O-N 2.65Å; G23-Y26 PolarHBondContact O-N 3.44Å; R24-Y26 VanDerWaalsContact C-N 3.33Å; R24-Y26 PolarHBondContact O-N 3.32Å; Y26-Q28 PolarHBondContact O-N 3.01Å; Y26-S29 PolarHBondContact O-N 3.44Å; Y26-S29 VanDerWaalsContact O-N 3.15Å; Y26-S29 PolarHBondContact O-OG 3.03Å; Y26-R30 HydrophobicContact CE1-CG 4.4Å; Y26-R30 PolarHBondContact O-N 3.03Å; Y26-L64 HydrophobicContact CD1-CD1 3.1Å; Y26-L64 HydrophobicContact CD1-CG 4.44Å; Y26-L64 HydrophobicContact CE1-CB 4.11Å; Y26-L64 HydrophobicContact CE1-CD1 3.29Å; Y26-L64 HydrophobicContact CE1-CG 4.28Å; Y26-L64 HydrophobicContact CG-CD1 3.82Å; Y26-T67 HydrophobicContact CD2-CG2 3.96Å
27	L	80.1	Confident	78.6	Confident	1 Å²	1	65.8 Å²	65.8	1%	0.005	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-33.4	-179.7	-67.7	173.1	0	0	0	112.1	G23 R24 G31 M32 F33 L49 I51 L64	G23-L27 WeakPolarHBondContact O-CG 3.32Å; G23-L27 PolarHBondContact O-N 3.33Å; G23-L27 VanDerWaalsContact O-N 3.08Å; R24-L27 PolarHBondContact O-N 2.82Å; L27-G31 PolarHBondContact O-N 3.16Å; L27-M32 HydrophobicContact CD2-CB 4.23Å; L27-M32 PolarHBondContact O-N 3.27Å; L27-F33 HydrophobicContact CB-CB 3.84Å; L27-F33 HydrophobicContact CB-CD2 4.44Å; L27-F33 PolarHBondContact O-N 2.75Å; L27-F33 VanDerWaalsContact O-N 3.13Å; L27-L49 HydrophobicContact CD1-CB 3.86Å; L27-L49 HydrophobicContact CD1-CD1 3.83Å; L27-I51 HydrophobicContact CD1-CD1 4.26Å; L27-I51 HydrophobicContact CD1-CG1 3.97Å; L27-I51 HydrophobicContact CD2-CD1 4.11Å; L27-I51 HydrophobicContact CD2-CG1 4.18Å; L27-L64 HydrophobicContact CD2-CD1 4.48Å
28	Q	84.9	Confident	78.6	Confident	58 Å²	58	63.2 Å²	63.2	27%	0.271	33%	0.331	S	S	.	.	H	α-helix	trans	-69.6	-42.8	175.2	-75.8	179.7	-30.1	0	0	112.5	R24 M25 Y26 R30 G31 F33	R24-Q28 HydrophobicContact CG-CG 4.25Å; R24-Q28 WeakPolarHBondContact O-CB 3.47Å; R24-Q28 VanDerWaalsContact O-CG 3.23Å; R24-Q28 WeakPolarHBondContact O-CG 3.14Å; R24-Q28 PolarHBondContact O-N 3.46Å; M25-Q28 PolarHBondContact O-N 3.22Å; Y26-Q28 PolarHBondContact O-N 3.01Å; Q28-R30 PolarHBondContact O-N 3.4Å; Q28-G31 PolarHBondContact O-N 3.47Å; Q28-F33 HydrophobicContact CG-CB 3.72Å; Q28-F33 HydrophobicContact CG-CD1 3.89Å; Q28-F33 HydrophobicContact CG-CG 3.89Å
29	S	80.8	Confident	79	Confident	91 Å²	91	59.2 Å²	59.2	64%	0.636	31%	0.312	S	S	*	.	H	α-helix	trans	-61.6	-28.1	178.7	73.8	0	0	0	0	112.9	M25 Y26	M25-S29 WeakPolarHBondContact O-CB 3.28Å; M25-S29 PolarHBondContact O-N 2.99Å; Y26-S29 PolarHBondContact O-N 3.44Å; Y26-S29 VanDerWaalsContact O-N 3.15Å; Y26-S29 PolarHBondContact O-OG 3.03Å
30	R	78.9	Confident	79.2	Confident	162 Å²	162	58.9 Å²	58.9	61%	0.611	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	3	177.7	-63.7	-69.5	-171.6	163.8	1.4	113.6	Y26 Q28 M32	Y26-R30 HydrophobicContact CE1-CG 4.4Å; Y26-R30 PolarHBondContact O-N 3.03Å; Q28-R30 PolarHBondContact O-N 3.4Å; R30-M32 HydrophobicContact CB-CG 3.71Å; R30-M32 HydrophobicContact CB-SD 3.95Å; R30-M32 WeakPolarHBondContact O-CG 3.27Å; R30-M32 PolarHBondContact O-N 3.3Å
31	G	80.1	Confident	79.6	Confident	57 Å²	57	65 Å²	65	59%	0.588	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	12.8	-179.1	0	0	0	0	0	115.1	L27 Q28	L27-G31 PolarHBondContact O-N 3.16Å; Q28-G31 PolarHBondContact O-N 3.47Å
32	M	82.5	Confident	79.6	Confident	10 Å²	10	64.8 Å²	64.8	5%	0.049	33%	0.329	C	S	.	.			trans	-92.1	-20.4	-172.3	-48.4	-172.5	90.8	0	0	112.8	L27 R30 D34 I51 S52 C55 Q58 L59	L27-M32 HydrophobicContact CD2-CB 4.23Å; L27-M32 PolarHBondContact O-N 3.27Å; R30-M32 HydrophobicContact CB-CG 3.71Å; R30-M32 HydrophobicContact CB-SD 3.95Å; R30-M32 WeakPolarHBondContact O-CG 3.27Å; R30-M32 PolarHBondContact O-N 3.3Å; M32-D34 PolarHBondContact O-N 2.8Å; M32-I51 HydrophobicContact CB-CG2 4.3Å; M32-I51 WeakPolarHBondContact O-CA 3.4Å; M32-S52 PolarHBondContact O-N 3.36Å; M32-C55 HydrophobicContact CB-CB 4.13Å; M32-C55 HydrophobicContact CE-CB 3.55Å; M32-C55 WeakPolarHBondContact CE-O 3.49Å; M32-C55 HydrophobicContact CG-CB 4.09Å; M32-Q58 HydrophobicContact CE-CB 4.21Å; M32-L59 HydrophobicContact CE-CB 3.61Å; M32-L59 HydrophobicContact CE-CD1 3.49Å; M32-L59 VanDerWaalsContact CE-CD1 3.49Å; M32-L59 HydrophobicContact CE-CG 3.92Å; M32-L59 HydrophobicContact SD-CD1 3.8Å; M32-L59 HydrophobicContact SD-CG 4.36Å
33	F	83.9	Confident	79.6	Confident	14 Å²	14	68.4 Å²	68.4	6%	0.061	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-70.7	116.9	179.4	-175.8	-99.9	0	0	0	111.7	R24 L27 Q28 R35 L39 L49 P50	R24-F33 HydrophobicContact CG-CD2 4.32Å; R24-F33 HydrophobicContact CG-CE2 4.11Å; R24-F33 HydrophobicContact CG-CZ 4.31Å; L27-F33 HydrophobicContact CB-CB 3.84Å; L27-F33 HydrophobicContact CB-CD2 4.44Å; L27-F33 PolarHBondContact O-N 2.75Å; L27-F33 VanDerWaalsContact O-N 3.13Å; Q28-F33 HydrophobicContact CG-CB 3.72Å; Q28-F33 HydrophobicContact CG-CD1 3.89Å; Q28-F33 HydrophobicContact CG-CG 3.89Å; F33-R35 HydrophobicContact CD1-CG 3.95Å; F33-R35 HydrophobicContact CE1-CG 4.32Å; F33-R35 PolarHBondContact O-N 2.85Å; F33-L39 HydrophobicContact CE2-CD2 3.95Å; F33-L39 HydrophobicContact CZ-CD2 4.09Å; F33-L39 HydrophobicContact CZ-CG 4.47Å; F33-L49 HydrophobicContact CE2-CB 4.46Å; F33-P50 HydrophobicContact CE2-CG 4.12Å; F33-P50 HydrophobicContact CZ-CG 4.27Å
34	D	80.4	Confident	79.7	Confident	27 Å²	27	74.1 Å²	74.1	14%	0.144	38%	0.381	C	S	.	.			trans	-78.9	108.5	178.1	-166.6	-27.9	0	0	0	111.1	M32 S36 F37 P50	M32-D34 PolarHBondContact O-N 2.8Å; D34-S36 VanDerWaalsContact C-N 3.28Å; D34-S36 PolarHBondContact O-N 2.9Å; D34-S36 VanDerWaalsContact OD1-CB 3.3Å; D34-S36 WeakPolarHBondContact OD1-CB 3.43Å; D34-S36 PolarHBondContact OD1-N 3.43Å; D34-S36 PolarHBondContact OD1-OG 3.2Å; D34-F37 HydrophobicContact CB-CD2 4.2Å; D34-F37 WeakPolarHBondContact OD2-CE2 3.44Å; D34-P50 HydrophobicContact CB-CB 4.31Å; D34-P50 PolarHBondContact N-O 3.35Å; D34-P50 WeakPolarHBondContact O-CG 3.42Å
35	R	79.4	Confident	79.4	Confident	175 Å²	175	71.1 Å²	71.1	66%	0.66	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-16.5	-176.4	-63	-177.9	-177.6	-166.2	0.8	113.5	F33 F37 K84	F33-R35 HydrophobicContact CD1-CG 3.95Å; F33-R35 HydrophobicContact CE1-CG 4.32Å; F33-R35 PolarHBondContact O-N 2.85Å; R35-F37 PolarHBondContact O-N 3.48Å; R35-K84 PolarHBondContact O-NZ 3.32Å
36	S	71.2	Confident	79.5	Confident	58 Å²	58	67 Å²	67	41%	0.406	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-20.3	-177.3	69.6	0	0	0	0	112.6	D34 K84	D34-S36 VanDerWaalsContact C-N 3.28Å; D34-S36 PolarHBondContact O-N 2.9Å; D34-S36 VanDerWaalsContact OD1-CB 3.3Å; D34-S36 WeakPolarHBondContact OD1-CB 3.43Å; D34-S36 PolarHBondContact OD1-N 3.43Å; D34-S36 PolarHBondContact OD1-OG 3.2Å; S36-K84 PolarHBondContact O-N 3.26Å
37	F	74.5	Confident	79.6	Confident	30 Å²	30	65.3 Å²	65.3	13%	0.132	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-105.6	156.8	179.3	-60	-75.5	0	0	0	112.5	I10 D34 R35 P50 P81 K84	I10-F37 HydrophobicContact CD1-CB 4.39Å; I10-F37 HydrophobicContact CD1-CD1 3.56Å; I10-F37 HydrophobicContact CD1-CD2 3.25Å; I10-F37 HydrophobicContact CD1-CE1 3.52Å; I10-F37 HydrophobicContact CD1-CE2 3.2Å; I10-F37 HydrophobicContact CD1-CG 3.43Å; I10-F37 VanDerWaalsContact CD1-CG 3.43Å; I10-F37 HydrophobicContact CD1-CZ 3.35Å; I10-F37 HydrophobicContact CG1-CD2 4.42Å; I10-F37 HydrophobicContact CG1-CE2 4.14Å; I10-F37 HydrophobicContact CG1-CZ 4.35Å; D34-F37 HydrophobicContact CB-CD2 4.2Å; D34-F37 WeakPolarHBondContact OD2-CE2 3.44Å; R35-F37 PolarHBondContact O-N 3.48Å; F37-P50 HydrophobicContact CB-CB 3.81Å; F37-P50 HydrophobicContact CB-CG 3.87Å; F37-P81 HydrophobicContact CB-CG 4.31Å; F37-P81 HydrophobicContact CD1-CG 4.42Å; F37-P81 WeakPolarHBondContact CD1-O 3.47Å; F37-P81 WeakPolarHBondContact CE1-O 3.49Å; F37-K84 WeakPolarHBondContact O-CE 3.24Å; F37-K84 PolarHBondContact O-NZ 3.03Å
38	S	73.3	Confident	79.9	Confident	24 Å²	24	66 Å²	66	17%	0.168	36%	0.359	C	S	.	.			trans	-90.5	150.6	175.3	-60.2	0	0	0	0	110.6	K84	S38-K84 VanDerWaalsContact OG-CG 3.25Å; S38-K84 WeakPolarHBondContact OG-CG 3.29Å
39	L	81.1	Confident	79.9	Confident	69 Å²	69	63.2 Å²	63.2	36%	0.361	35%	0.346	S	S	.	.			trans	-62.4	139.8	165.2	-60.7	161.6	0	0	0	109	F33 V47 L49	F33-L39 HydrophobicContact CE2-CD2 3.95Å; F33-L39 HydrophobicContact CZ-CD2 4.09Å; F33-L39 HydrophobicContact CZ-CG 4.47Å; L39-V47 HydrophobicContact CB-CG1 4.42Å; L39-V47 HydrophobicContact CD2-CG1 4.46Å; L39-L49 HydrophobicContact CD2-CD2 3.13Å; L39-L49 HydrophobicContact CD2-CG 4.4Å
40	V	79.6	Confident	80	Confident	51 Å²	51	58.9 Å²	58.9	31%	0.309	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	122.9	176.2	-178.7	0	0	0	0	108.9	V47 L48 P81	V40-V47 WeakPolarHBondContact O-CA 3.39Å; V40-L48 HydrophobicContact CB-CB 3.94Å; V40-L48 HydrophobicContact CB-CD1 3.98Å; V40-L48 HydrophobicContact CB-CG 4.4Å; V40-L48 HydrophobicContact CG1-CD1 4.19Å; V40-L48 PolarHBondContact N-O 3.34Å; V40-L48 WeakPolarHBondContact O-CB 3.42Å; V40-L48 PolarHBondContact O-N 3.06Å; V40-P81 HydrophobicContact CG2-CB 3.85Å
41	K	82.4	Confident	80.2	Confident	147 Å²	147	51.2 Å²	51.2	64%	0.639	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	129.4	173	-65.3	-172.5	173.5	-177	0	108.6	V47	K41-V47 HydrophobicContact CG-CG2 4.19Å
42	Q	79.4	Confident	79.8	Confident	74 Å²	74	49.9 Å²	49.9	35%	0.346	27%	0.269	S	S	.	.			trans	-92	156.2	176.4	-65.8	-66	-11	0	0	110.9	D44 G45 T46 L48	Q42-D44 WeakPolarHBondContact CB-OD1 3.48Å; Q42-D44 PolarHBondContact O-N 3.09Å; Q42-G45 PolarHBondContact O-N 3.32Å; Q42-G45 VanDerWaalsContact O-N 3.11Å; Q42-T46 VanDerWaalsContact CB-OG1 3.28Å; Q42-T46 WeakPolarHBondContact CB-OG1 3.25Å; Q42-T46 WeakPolarHBondContact CG-OG1 3.48Å; Q42-T46 PolarHBondContact N-O 2.66Å; Q42-L48 HydrophobicContact CG-CG 4.37Å
43	P	76.9	Confident	79.3	Confident	134 Å²	134	52.3 Å²	52.3	87%	0.87	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-27.6	178.6	-24.3	34.7	0	0	0	114.2	G45	P43-G45 PolarHBondContact O-N 3.06Å
44	D	79.2	Confident	78.7	Confident	121 Å²	121	56 Å²	56	65%	0.647	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	2.6	178.2	67.5	-0.4	0	0	0	113.8	Q42 T46	Q42-D44 WeakPolarHBondContact CB-OD1 3.48Å; Q42-D44 PolarHBondContact O-N 3.09Å; D44-T46 WeakPolarHBondContact OD1-CB 3.44Å; D44-T46 WeakPolarHBondContact OD1-CG2 3.45Å; D44-T46 PolarHBondContact OD1-N 3.16Å; D44-T46 PolarHBondContact OD1-OG1 2.76Å; D44-T46 PolarHBondContact OD2-OG1 2.68Å
45	G	77.8	Confident	78.2	Confident	36 Å²	36	55.4 Å²	55.4	37%	0.371	31%	0.311	S	S	.	.	S	Bend	trans	84.3	4.6	-179.4	0	0	0	0	0	114.6	N17 Q42 P43	N17-G45 WeakPolarHBondContact CB-O 3.39Å; N17-G45 PolarHBondContact N-O 3.03Å; Q42-G45 PolarHBondContact O-N 3.32Å; Q42-G45 VanDerWaalsContact O-N 3.11Å; P43-G45 PolarHBondContact O-N 3.06Å
46	T	82.6	Confident	77.8	Confident	29 Å²	29	49.9 Å²	49.9	18%	0.178	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	153.5	170.8	65.4	0	0	0	0	111.7	L14 V15 Q42 D44	L14-T46 HydrophobicContact CD2-CG2 4.45Å; L14-T46 WeakPolarHBondContact CD2-OG1 3.49Å; V15-T46 CarbonylContact O-C 3.59Å; Q42-T46 VanDerWaalsContact CB-OG1 3.28Å; Q42-T46 WeakPolarHBondContact CB-OG1 3.25Å; Q42-T46 WeakPolarHBondContact CG-OG1 3.48Å; Q42-T46 PolarHBondContact N-O 2.66Å; D44-T46 WeakPolarHBondContact OD1-CB 3.44Å; D44-T46 WeakPolarHBondContact OD1-CG2 3.45Å; D44-T46 PolarHBondContact OD1-N 3.16Å; D44-T46 PolarHBondContact OD1-OG1 2.76Å; D44-T46 PolarHBondContact OD2-OG1 2.68Å
47	V	82.8	Confident	77.6	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.024	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	128.1	178.8	-174.6	0	0	0	0	108.9	L14 V15 N17 L39 V40 K41 L49	L14-V47 WeakPolarHBondContact CA-O 3.02Å; V15-V47 HydrophobicContact CG2-CB 4.19Å; V15-V47 PolarHBondContact N-O 3.19Å; V15-V47 PolarHBondContact O-N 3.15Å; N17-V47 HydrophobicContact CB-CG2 4.05Å; L39-V47 HydrophobicContact CB-CG1 4.42Å; L39-V47 HydrophobicContact CD2-CG1 4.46Å; V40-V47 WeakPolarHBondContact O-CA 3.39Å; K41-V47 HydrophobicContact CG-CG2 4.19Å; V47-L49 HydrophobicContact CG1-CD2 4.12Å
48	L	85.4	Confident	77.3	Confident	14 Å²	14	58 Å²	58	7%	0.073	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	112.2	177.2	-74	-174.6	0	0	0	110.1	V12 L14 V40 Q42 T76	V12-L48 HydrophobicContact CB-CD2 4.08Å; V12-L48 HydrophobicContact CG1-CB 3.35Å; V12-L48 HydrophobicContact CG1-CD1 4.42Å; V12-L48 HydrophobicContact CG1-CD2 3.28Å; V12-L48 HydrophobicContact CG1-CG 3.78Å; L14-L48 HydrophobicContact CD2-CD2 3.23Å; L14-L48 HydrophobicContact CD2-CG 4.15Å; L14-L48 HydrophobicContact CG-CD2 3.65Å; V40-L48 HydrophobicContact CB-CB 3.94Å; V40-L48 HydrophobicContact CB-CD1 3.98Å; V40-L48 HydrophobicContact CB-CG 4.4Å; V40-L48 HydrophobicContact CG1-CD1 4.19Å; V40-L48 PolarHBondContact N-O 3.34Å; V40-L48 WeakPolarHBondContact O-CB 3.42Å; V40-L48 PolarHBondContact O-N 3.06Å; Q42-L48 HydrophobicContact CG-CG 4.37Å; L48-T76 HydrophobicContact CD2-CG2 4.16Å
49	L	85.1	Confident	77.1	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	113.6	173.8	-51.6	-173.5	0	0	0	110.4	V12 S13 V15 L27 F33 L39 V47	V12-L49 WeakPolarHBondContact CA-O 3.02Å; V12-L49 WeakPolarHBondContact CG1-O 3.25Å; S13-L49 PolarHBondContact N-O 3.28Å; S13-L49 VanDerWaalsContact N-O 3.08Å; S13-L49 PolarHBondContact O-N 3.29Å; V15-L49 HydrophobicContact CG1-CD1 4.4Å; V15-L49 HydrophobicContact CG2-CD1 3.88Å; V15-L49 HydrophobicContact CG2-CD2 4.25Å; V15-L49 HydrophobicContact CG2-CG 3.9Å; L27-L49 HydrophobicContact CD1-CB 3.86Å; L27-L49 HydrophobicContact CD1-CD1 3.83Å; F33-L49 HydrophobicContact CE2-CB 4.46Å; L39-L49 HydrophobicContact CD2-CD2 3.13Å; L39-L49 HydrophobicContact CD2-CG 4.4Å; V47-L49 HydrophobicContact CG1-CD2 4.12Å
50	P	84.1	Confident	76.7	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.006	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	131.4	-179.1	28	-34.7	0	0	0	111.9	I10 F33 D34 F37	I10-P50 HydrophobicContact CG2-CB 3.92Å; F33-P50 HydrophobicContact CE2-CG 4.12Å; F33-P50 HydrophobicContact CZ-CG 4.27Å; D34-P50 HydrophobicContact CB-CB 4.31Å; D34-P50 PolarHBondContact N-O 3.35Å; D34-P50 WeakPolarHBondContact O-CG 3.42Å; F37-P50 HydrophobicContact CB-CB 3.81Å; F37-P50 HydrophobicContact CB-CG 3.87Å
51	I	81.7	Confident	76	Confident	0 Å²	0	60 Å²	60	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	139.9	177.2	-60.5	166.8	0	0	0	109.3	V11 L27 M32 L59 F75	V11-I51 VanDerWaalsContact O-CB 3.26Å; V11-I51 WeakPolarHBondContact O-CB 3.34Å; V11-I51 PolarHBondContact O-N 2.71Å; L27-I51 HydrophobicContact CD1-CD1 4.26Å; L27-I51 HydrophobicContact CD1-CG1 3.97Å; L27-I51 HydrophobicContact CD2-CD1 4.11Å; L27-I51 HydrophobicContact CD2-CG1 4.18Å; M32-I51 HydrophobicContact CB-CG2 4.3Å; M32-I51 WeakPolarHBondContact O-CA 3.4Å; I51-L59 HydrophobicContact CD1-CD1 4.07Å; I51-L59 HydrophobicContact CG2-CD1 4.12Å; I51-F75 HydrophobicContact CD1-CD1 4.23Å; I51-F75 HydrophobicContact CD1-CE1 3.64Å
52	S	73.1	Confident	75.4	Confident	29 Å²	29	58.5 Å²	58.5	20%	0.203	34%	0.341	C	S	.	.			trans	-68.8	130	177.4	-165.5	0	0	0	0	110.8	M32 S54 C55	M32-S52 PolarHBondContact O-N 3.36Å; S52-S54 PolarHBondContact O-N 3.08Å; S52-S54 PolarHBondContact OG-OG 3.26Å; S52-C55 PolarHBondContact O-N 3.15Å
53	P	70.6	Confident	74.9	Confident	62 Å²	62	57 Å²	57	40%	0.403	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-58.8	-29.7	-179.5	-26.2	34.8	0	0	0	114	I9 C55 L56	I9-P53 WeakPolarHBondContact O-CG 3.46Å; P53-C55 PolarHBondContact O-N 3.24Å; P53-L56 HydrophobicContact CB-CD1 4.5Å; P53-L56 WeakPolarHBondContact O-CB 3.28Å; P53-L56 WeakPolarHBondContact O-CD1 3.48Å; P53-L56 WeakPolarHBondContact O-CG 3.25Å; P53-L56 PolarHBondContact O-N 3.49Å
54	S	71.6	Confident	74.5	Confident	90 Å²	90	50.7 Å²	50.7	63%	0.629	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-68.4	-17.7	178.4	52.7	0	0	0	0	113.6	S52	S52-S54 PolarHBondContact O-N 3.08Å; S52-S54 PolarHBondContact OG-OG 3.26Å
55	C	70.9	Confident	74.1	Confident	16 Å²	16	49.1 Å²	49.1	11%	0.108	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-93.3	-1	-178	-59.8	0	0	0	0	112.8	M32 S52 P53 S57 Q58 L59	M32-C55 HydrophobicContact CB-CB 4.13Å; M32-C55 HydrophobicContact CE-CB 3.55Å; M32-C55 WeakPolarHBondContact CE-O 3.49Å; M32-C55 HydrophobicContact CG-CB 4.09Å; S52-C55 PolarHBondContact O-N 3.15Å; P53-C55 PolarHBondContact O-N 3.24Å; C55-S57 PolarHBondContact O-N 3.46Å; C55-Q58 PolarHBondContact O-N 2.9Å; C55-Q58 VanDerWaalsContact O-N 3.09Å; C55-L59 PolarHBondContact O-N 2.9Å
56	L	69.6	Low	73.8	Confident	59 Å²	59	52.5 Å²	52.5	31%	0.309	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-60.7	-40	-173.4	-76.2	168.5	0	0	0	114	V11 P53 Q58 L59 W77	V11-L56 HydrophobicContact CB-CD2 3.78Å; V11-L56 HydrophobicContact CG1-CD2 3.88Å; V11-L56 HydrophobicContact CG2-CD1 3.83Å; V11-L56 HydrophobicContact CG2-CD2 3.53Å; V11-L56 HydrophobicContact CG2-CG 4.23Å; P53-L56 HydrophobicContact CB-CD1 4.5Å; P53-L56 WeakPolarHBondContact O-CB 3.28Å; P53-L56 WeakPolarHBondContact O-CD1 3.48Å; P53-L56 WeakPolarHBondContact O-CG 3.25Å; P53-L56 PolarHBondContact O-N 3.49Å; L56-Q58 PolarHBondContact O-N 3.33Å; L56-L59 WeakPolarHBondContact O-CB 3.36Å; L56-L59 PolarHBondContact O-N 3.08Å; L56-W77 HydrophobicContact CD1-CH2 3.76Å; L56-W77 HydrophobicContact CD1-CZ3 4.27Å
57	S	67.2	Low	73.1	Confident	113 Å²	113	54.8 Å²	54.8	79%	0.79	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-69.6	-15.3	179.3	54.5	0	0	0	0	113.7	C55	C55-S57 PolarHBondContact O-N 3.46Å
58	Q	69.2	Low	72.2	Confident	145 Å²	145	54.8 Å²	54.8	68%	0.678	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-102.4	1.7	-177.4	-59.9	176.8	5.5	0	0	112.2	M32 C55 L56 D60	M32-Q58 HydrophobicContact CE-CB 4.21Å; C55-Q58 PolarHBondContact O-N 2.9Å; C55-Q58 VanDerWaalsContact O-N 3.09Å; L56-Q58 PolarHBondContact O-N 3.33Å; Q58-D60 PolarHBondContact O-N 2.58Å
59	L	68.9	Low	70.9	Confident	29 Å²	29	57.5 Å²	57.5	15%	0.152	32%	0.323	C	S	.	.			trans	-87.2	104.5	-170.6	-161.7	120.7	0	0	0	110.8	M32 I51 C55 L56 L61 F75	M32-L59 HydrophobicContact CE-CB 3.61Å; M32-L59 HydrophobicContact CE-CD1 3.49Å; M32-L59 VanDerWaalsContact CE-CD1 3.49Å; M32-L59 HydrophobicContact CE-CG 3.92Å; M32-L59 HydrophobicContact SD-CD1 3.8Å; M32-L59 HydrophobicContact SD-CG 4.36Å; I51-L59 HydrophobicContact CD1-CD1 4.07Å; I51-L59 HydrophobicContact CG2-CD1 4.12Å; C55-L59 PolarHBondContact O-N 2.9Å; L56-L59 WeakPolarHBondContact O-CB 3.36Å; L56-L59 PolarHBondContact O-N 3.08Å; L59-L61 HydrophobicContact CD2-CD2 3.33Å; L59-L61 HydrophobicContact CD2-CG 3.95Å; L59-L61 PolarHBondContact O-N 3.41Å; L59-F75 HydrophobicContact CD1-CE1 4.49Å; L59-F75 HydrophobicContact CD2-CE1 3.67Å; L59-F75 HydrophobicContact CD2-CZ 3.61Å
60	D	71.7	Confident	69.4	Low	82 Å²	82	61.5 Å²	61.5	44%	0.439	35%	0.349	S	S	.	.			trans	-78.9	97.6	169.6	-178.6	-4.7	0	0	0	110.2	Q58 Q62 S63 L64	Q58-D60 PolarHBondContact O-N 2.58Å; D60-Q62 VanDerWaalsContact C-N 3.27Å; D60-Q62 PolarHBondContact O-N 3.2Å; D60-Q62 PolarHBondContact OD1-N 2.93Å; D60-S63 PolarHBondContact OD1-N 3Å; D60-S63 VanDerWaalsContact OD1-N 3.09Å; D60-S63 VanDerWaalsContact OD2-CB 3.22Å; D60-S63 WeakPolarHBondContact OD2-CB 3.46Å; D60-S63 PolarHBondContact OD2-OG 3.09Å; D60-L64 PolarHBondContact O-N 2.99Å
61	L	66.3	Low	68.2	Low	76 Å²	76	68.7 Å²	68.7	40%	0.398	39%	0.388	S	S	.	.	H	α-helix	trans	-61.3	-35	179.7	-68.4	170.1	0	0	0	112.6	L59 R65 F75	L59-L61 HydrophobicContact CD2-CD2 3.33Å; L59-L61 HydrophobicContact CD2-CG 3.95Å; L59-L61 PolarHBondContact O-N 3.41Å; L61-R65 WeakPolarHBondContact O-CG 3.41Å; L61-R65 PolarHBondContact O-N 2.8Å; L61-F75 HydrophobicContact CD2-CD1 4.5Å; L61-F75 HydrophobicContact CD2-CD2 3.53Å; L61-F75 HydrophobicContact CD2-CE1 4.13Å; L61-F75 HydrophobicContact CD2-CE2 3.1Å; L61-F75 HydrophobicContact CD2-CG 4.2Å; L61-F75 HydrophobicContact CD2-CZ 3.4Å; L61-F75 VanDerWaalsContact CD2-CZ 3.4Å
62	Q	68.9	Low	67.3	Low	114 Å²	114	69.7 Å²	69.7	53%	0.533	39%	0.394	S	S	.	.	H	α-helix	trans	-73.7	-44.2	-175.5	-160.3	70	20	0	0	110	D60 L64 R65 N66	D60-Q62 VanDerWaalsContact C-N 3.27Å; D60-Q62 PolarHBondContact O-N 3.2Å; D60-Q62 PolarHBondContact OD1-N 2.93Å; Q62-L64 VanDerWaalsContact C-N 3.33Å; Q62-L64 PolarHBondContact O-N 2.88Å; Q62-R65 PolarHBondContact O-N 3.13Å; Q62-N66 WeakPolarHBondContact O-CB 3.22Å; Q62-N66 PolarHBondContact O-N 2.97Å; Q62-N66 PolarHBondContact O-ND2 3.02Å; Q62-N66 PolarHBondContact O-OD1 3.12Å
63	S	70	Confident	67	Low	43 Å²	43	68.7 Å²	68.7	30%	0.301	39%	0.387	S	S	.	.	H	α-helix	trans	-61.7	-38.8	174.8	-73.7	0	0	0	0	112.8	D60 N66 T67	D60-S63 PolarHBondContact OD1-N 3Å; D60-S63 VanDerWaalsContact OD1-N 3.09Å; D60-S63 VanDerWaalsContact OD2-CB 3.22Å; D60-S63 WeakPolarHBondContact OD2-CB 3.46Å; D60-S63 PolarHBondContact OD2-OG 3.09Å; S63-N66 PolarHBondContact O-N 3.36Å; S63-T67 WeakPolarHBondContact O-CB 3.22Å; S63-T67 PolarHBondContact O-N 3.4Å; S63-T67 PolarHBondContact O-OG1 2.85Å
64	L	68.3	Low	67	Low	2 Å²	2	70.4 Å²	70.4	1%	0.01	39%	0.392	C	S	.	.	H	α-helix	trans	-66	-45.6	176.1	-175.1	74.7	0	0	0	111.7	Y26 L27 D60 Q62 N66 T67 L68 F75	Y26-L64 HydrophobicContact CD1-CD1 3.1Å; Y26-L64 HydrophobicContact CD1-CG 4.44Å; Y26-L64 HydrophobicContact CE1-CB 4.11Å; Y26-L64 HydrophobicContact CE1-CD1 3.29Å; Y26-L64 HydrophobicContact CE1-CG 4.28Å; Y26-L64 HydrophobicContact CG-CD1 3.82Å; L27-L64 HydrophobicContact CD2-CD1 4.48Å; D60-L64 PolarHBondContact O-N 2.99Å; Q62-L64 VanDerWaalsContact C-N 3.33Å; Q62-L64 PolarHBondContact O-N 2.88Å; L64-N66 VanDerWaalsContact C-N 3.33Å; L64-N66 PolarHBondContact O-N 3.11Å; L64-T67 WeakPolarHBondContact O-CB 3.45Å; L64-T67 PolarHBondContact O-N 3.32Å; L64-T67 VanDerWaalsContact O-N 3.16Å; L64-L68 HydrophobicContact CD1-CD1 3.76Å; L64-L68 HydrophobicContact CG-CD1 3.93Å; L64-L68 PolarHBondContact O-N 2.99Å; L64-F75 HydrophobicContact CD2-CE1 4.25Å; L64-F75 HydrophobicContact CD2-CE2 4.02Å; L64-F75 HydrophobicContact CD2-CZ 3.34Å
65	R	70.5	Confident	67.1	Low	87 Å²	87	68 Å²	68	33%	0.328	37%	0.371	S	S	.	.	H	α-helix	trans	-62	-39.9	176	-78	-179.1	179.2	163.3	-0.4	112.1	L61 Q62 T67 L68 T69	L61-R65 WeakPolarHBondContact O-CG 3.41Å; L61-R65 PolarHBondContact O-N 2.8Å; Q62-R65 PolarHBondContact O-N 3.13Å; R65-T67 VanDerWaalsContact C-N 3.27Å; R65-T67 PolarHBondContact O-N 3.34Å; R65-L68 PolarHBondContact O-N 3.33Å; R65-T69 CarbonylContact O-C 3.56Å; R65-T69 VanDerWaalsContact O-CA 3.27Å; R65-T69 WeakPolarHBondContact O-CA 3.49Å; R65-T69 PolarHBondContact O-N 2.88Å
66	N	71	Confident	67.1	Low	107 Å²	107	69.9 Å²	69.9	57%	0.572	38%	0.382	S	S	*	.	H	α-helix	trans	-64.4	-33.2	175.6	-68.7	-13.7	0	0	0	112.1	Q62 S63 L64	Q62-N66 WeakPolarHBondContact O-CB 3.22Å; Q62-N66 PolarHBondContact O-N 2.97Å; Q62-N66 PolarHBondContact O-ND2 3.02Å; Q62-N66 PolarHBondContact O-OD1 3.12Å; S63-N66 PolarHBondContact O-N 3.36Å; L64-N66 VanDerWaalsContact C-N 3.33Å; L64-N66 PolarHBondContact O-N 3.11Å
67	T	68.4	Low	67.2	Low	77 Å²	77	74.7 Å²	74.7	47%	0.472	40%	0.396	S	S	.	.	H	α-helix	trans	-74.3	-30.3	177.4	-55.1	0	0	0	0	112.6	Y26 S63 L64 R65	Y26-T67 HydrophobicContact CD2-CG2 3.96Å; S63-T67 WeakPolarHBondContact O-CB 3.22Å; S63-T67 PolarHBondContact O-N 3.4Å; S63-T67 PolarHBondContact O-OG1 2.85Å; L64-T67 WeakPolarHBondContact O-CB 3.45Å; L64-T67 PolarHBondContact O-N 3.32Å; L64-T67 VanDerWaalsContact O-N 3.16Å; R65-T67 VanDerWaalsContact C-N 3.27Å; R65-T67 PolarHBondContact O-N 3.34Å
68	L	64.4	Low	67.2	Low	5 Å²	5	71.2 Å²	71.2	3%	0.026	37%	0.371	C	S	.	.	H	α-helix	trans	-111.2	1.7	-171.2	-63.4	173.8	0	0	0	114.7	V15 L64 R65 C73	V15-L68 HydrophobicContact CG1-CD1 3.91Å; L64-L68 HydrophobicContact CD1-CD1 3.76Å; L64-L68 HydrophobicContact CG-CD1 3.93Å; L64-L68 PolarHBondContact O-N 2.99Å; R65-L68 PolarHBondContact O-N 3.33Å; L68-C73 HydrophobicContact CD1-CB 4.44Å
69	T	58.1	Low	67	Low	71 Å²	71	71.3 Å²	71.3	44%	0.436	37%	0.372	S	S	.	.			trans	70.8	141.1	-165.4	66.5	0	0	0	0	114.3	R65 D71 V72	R65-T69 CarbonylContact O-C 3.56Å; R65-T69 VanDerWaalsContact O-CA 3.27Å; R65-T69 WeakPolarHBondContact O-CA 3.49Å; R65-T69 PolarHBondContact O-N 2.88Å; T69-D71 VanDerWaalsContact C-N 3.31Å; T69-D71 PolarHBondContact O-N 3.3Å; T69-V72 PolarHBondContact O-N 3.29Å; T69-V72 VanDerWaalsContact OG1-CG2 3.23Å; T69-V72 WeakPolarHBondContact OG1-CG2 3.45Å
70	P	54	Low	66.6	Low	83 Å²	83	71.9 Å²	71.9	54%	0.539	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-29.7	-167.5	-24.7	34.5	0	0	0	115.8	V72	P70-V72 VanDerWaalsContact C-N 3.35Å; P70-V72 PolarHBondContact O-N 3.46Å
71	D	57.4	Low	66.1	Low	153 Å²	153	69 Å²	69	82%	0.818	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	10.3	-172	-56	-37.8	0	0	0	114	T69	T69-D71 VanDerWaalsContact C-N 3.31Å; T69-D71 PolarHBondContact O-N 3.3Å
72	V	63.8	Low	65.6	Low	21 Å²	21	70.1 Å²	70.1	13%	0.127	37%	0.367	C	S	.	.	S	Bend	trans	-124.2	-7.4	-165.7	-175.2	0	0	0	0	113.4	V15 K16 H19 T69 P70	V15-V72 WeakPolarHBondContact CA-O 3.37Å; K16-V72 HydrophobicContact CB-CG1 3.96Å; K16-V72 HydrophobicContact CD-CG1 4.44Å; K16-V72 HydrophobicContact CG-CG1 4.13Å; H19-V72 HydrophobicContact CB-CG1 4.37Å; T69-V72 PolarHBondContact O-N 3.29Å; T69-V72 VanDerWaalsContact OG1-CG2 3.23Å; T69-V72 WeakPolarHBondContact OG1-CG2 3.45Å; P70-V72 VanDerWaalsContact C-N 3.35Å; P70-V72 PolarHBondContact O-N 3.46Å
73	C	67.2	Low	65.1	Low	8 Å²	8	65.8 Å²	65.8	5%	0.054	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	117.1	-176.8	-172.7	0	0	0	0	113	S13 L14 L68	S13-C73 PolarHBondContact OG-SG 3.2Å; L14-C73 VanDerWaalsContact O-CA 3.29Å; L14-C73 WeakPolarHBondContact O-CA 3.41Å; L68-C73 HydrophobicContact CD1-CB 4.44Å
74	D	70.6	Confident	64.4	Low	97 Å²	97	68.6 Å²	68.6	52%	0.519	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	156.9	172.9	-157.6	6	0	0	0	111.8	L14	L14-D74 HydrophobicContact CB-CB 4.41Å; L14-D74 WeakPolarHBondContact CB-O 3.23Å; L14-D74 HydrophobicContact CD1-CB 4.32Å; L14-D74 PolarHBondContact N-O 2.76Å; L14-D74 PolarHBondContact O-N 3.18Å
75	F	72.4	Confident	63.6	Low	41 Å²	41	76.1 Å²	76.1	18%	0.18	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	122.6	-179.2	-71.7	-92	0	0	0	110.6	V11 V12 I51 L59 L61 L64	V11-F75 HydrophobicContact CG1-CD1 3.97Å; V12-F75 WeakPolarHBondContact O-CA 3.5Å; I51-F75 HydrophobicContact CD1-CD1 4.23Å; I51-F75 HydrophobicContact CD1-CE1 3.64Å; L59-F75 HydrophobicContact CD1-CE1 4.49Å; L59-F75 HydrophobicContact CD2-CE1 3.67Å; L59-F75 HydrophobicContact CD2-CZ 3.61Å; L61-F75 HydrophobicContact CD2-CD1 4.5Å; L61-F75 HydrophobicContact CD2-CD2 3.53Å; L61-F75 HydrophobicContact CD2-CE1 4.13Å; L61-F75 HydrophobicContact CD2-CE2 3.1Å; L61-F75 HydrophobicContact CD2-CG 4.2Å; L61-F75 HydrophobicContact CD2-CZ 3.4Å; L61-F75 VanDerWaalsContact CD2-CZ 3.4Å; L64-F75 HydrophobicContact CD2-CE1 4.25Å; L64-F75 HydrophobicContact CD2-CE2 4.02Å; L64-F75 HydrophobicContact CD2-CZ 3.34Å
76	T	70.9	Confident	62.6	Low	55 Å²	55	76.7 Å²	76.7	34%	0.337	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	144.5	173.5	-171.2	0	0	0	0	110.8	V12 L14 L48	V12-T76 HydrophobicContact CB-CG2 4.26Å; V12-T76 PolarHBondContact N-O 3.48Å; V12-T76 PolarHBondContact O-N 2.99Å; L14-T76 HydrophobicContact CD1-CG2 4.02Å; L14-T76 HydrophobicContact CG-CG2 4.37Å; L48-T76 HydrophobicContact CD2-CG2 4.16Å
77	W	72	Confident	61.4	Low	160 Å²	160	77.2 Å²	77.2	61%	0.606	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	128.3	164.5	-62.3	81	0	0	0	107.2	I9 V11 L56	I9-W77 HydrophobicContact CB-CE3 4.04Å; I9-W77 HydrophobicContact CB-CZ3 4.43Å; I9-W77 HydrophobicContact CD1-CE3 4.44Å; I9-W77 HydrophobicContact CG2-CB 4.02Å; I9-W77 HydrophobicContact CG2-CD2 4.34Å; I9-W77 HydrophobicContact CG2-CE3 3.49Å; I9-W77 VanDerWaalsContact CG2-CE3 3.49Å; I9-W77 HydrophobicContact CG2-CZ3 4.34Å; V11-W77 HydrophobicContact CG2-CD2 3.84Å; V11-W77 HydrophobicContact CG2-CE3 3.52Å; V11-W77 HydrophobicContact CG2-CH2 3.6Å; V11-W77 HydrophobicContact CG2-CZ2 3.87Å; V11-W77 HydrophobicContact CG2-CZ3 3.41Å; V11-W77 VanDerWaalsContact CG2-CZ3 3.41Å; L56-W77 HydrophobicContact CD1-CH2 3.76Å; L56-W77 HydrophobicContact CD1-CZ3 4.27Å
78	S	66.9	Low	60.5	Low	39 Å²	39	76 Å²	76	27%	0.273	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	148	177.6	-161.8	0	0	0	0	110	I9 I10 S80	I9-S78 WeakPolarHBondContact CG2-O 3.44Å; I10-S78 PolarHBondContact N-O 3.02Å; I10-S78 PolarHBondContact O-N 3.46Å; I10-S78 VanDerWaalsContact O-N 3.13Å; S78-S80 PolarHBondContact O-N 2.9Å
79	Q	65	Low	59.7	Low	147 Å²	147	84.3 Å²	84.3	69%	0.687	43%	0.427	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.4	134	162.9	-66.5	-168.8	-0.2	0	0	107.6	L7 P81	L7-Q79 HydrophobicContact CD2-CG 3.89Å; Q79-P81 WeakPolarHBondContact O-CD 3.46Å
80	S	60.8	Low	59	Low	41 Å²	41	88.8 Å²	88.8	29%	0.287	44%	0.441	S	S	.	.			trans	-40.9	114.9	-175.5	-73.2	0	0	0	0	112	N8 I10 S78	N8-S80 VanDerWaalsContact CB-OG 3.32Å; N8-S80 WeakPolarHBondContact CB-OG 3.43Å; N8-S80 PolarHBondContact O-N 3.37Å; N8-S80 PolarHBondContact O-OG 2.86Å; I10-S80 WeakPolarHBondContact CD1-OG 3.33Å; I10-S80 WeakPolarHBondContact CG1-OG 3.25Å; S78-S80 PolarHBondContact O-N 2.9Å
81	P	61.4	Low	58.6	Low	23 Å²	23	88.2 Å²	88.2	15%	0.149	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-48	150	161.8	12.8	-29.8	0	0	0	110.5	I10 F37 V40 Q79 S83	I10-P81 HydrophobicContact CD1-CG 4.23Å; F37-P81 HydrophobicContact CB-CG 4.31Å; F37-P81 HydrophobicContact CD1-CG 4.42Å; F37-P81 WeakPolarHBondContact CD1-O 3.47Å; F37-P81 WeakPolarHBondContact CE1-O 3.49Å; V40-P81 HydrophobicContact CG2-CB 3.85Å; Q79-P81 WeakPolarHBondContact O-CD 3.46Å; P81-S83 PolarHBondContact O-N 3.5Å
82	Q	56.3	Low	58.5	Low	98 Å²	98	82.3 Å²	82.3	46%	0.458	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-52.9	130.1	-179.8	-73.7	-179.1	-8.4	0	0	110.6
83	S	58.3	Low	59.1	Low	24 Å²	24	84.1 Å²	84.1	17%	0.168	43%	0.431	C	S	.	.	B	Isolated β-bridge	trans	-58.4	146.7	174.8	68.4	0	0	0	0	109.3	P81 K85 E86 K87	P81-S83 PolarHBondContact O-N 3.5Å; S83-K85 PolarHBondContact O-N 3.13Å; S83-K85 VanDerWaalsContact O-N 3.09Å; S83-E86 PolarHBondContact N-OE2 2.86Å; S83-E86 PolarHBondContact O-N 2.98Å; S83-E86 WeakPolarHBondContact OG-CB 3.44Å; S83-E86 WeakPolarHBondContact OG-CG 3.47Å; S83-E86 PolarHBondContact OG-N 3.46Å; S83-E86 PolarHBondContact OG-OE2 3.26Å; S83-K87 PolarHBondContact O-N 2.98Å
84	K	54.5	Low	60	Low	102 Å²	102	88.9 Å²	88.9	44%	0.443	45%	0.451	S	S	.	.	H	α-helix	trans	-54.7	-31.3	174.9	-76.5	174.8	-177.9	153.3	0	111.9	R35 S36 F37 S38 G88	R35-K84 PolarHBondContact O-NZ 3.32Å; S36-K84 PolarHBondContact O-N 3.26Å; F37-K84 WeakPolarHBondContact O-CE 3.24Å; F37-K84 PolarHBondContact O-NZ 3.03Å; S38-K84 VanDerWaalsContact OG-CG 3.25Å; S38-K84 WeakPolarHBondContact OG-CG 3.29Å; K84-G88 PolarHBondContact O-N 3.24Å; K84-G88 VanDerWaalsContact O-N 3.12Å
85	K	51.5	Low	61	Low	159 Å²	159	84.9 Å²	84.9	69%	0.691	43%	0.43	S	S	*	.	H	α-helix	trans	-70.3	-38.2	177.8	-162.8	174.2	-178.2	179.4	0	112.7	S83 R89	S83-K85 PolarHBondContact O-N 3.13Å; S83-K85 VanDerWaalsContact O-N 3.09Å; K85-R89 WeakPolarHBondContact O-CG 3.43Å; K85-R89 PolarHBondContact O-N 3.22Å
86	E	48.8	Very low	61.9	Low	99 Å²	99	83.5 Å²	83.5	46%	0.463	42%	0.424	S	S	.	.	H	α-helix	trans	-76	-37.3	173.8	-79.8	168	130.6	0	0	113	S83 G88 R89 K90	S83-E86 PolarHBondContact N-OE2 2.86Å; S83-E86 PolarHBondContact O-N 2.98Å; S83-E86 WeakPolarHBondContact OG-CB 3.44Å; S83-E86 WeakPolarHBondContact OG-CG 3.47Å; S83-E86 PolarHBondContact OG-N 3.46Å; S83-E86 PolarHBondContact OG-OE2 3.26Å; E86-G88 VanDerWaalsContact C-N 3.27Å; E86-G88 PolarHBondContact O-N 2.65Å; E86-R89 WeakPolarHBondContact O-CB 3.41Å; E86-R89 PolarHBondContact O-N 3.41Å; E86-K90 PolarHBondContact O-N 2.93Å
87	K	47	Very low	62.9	Low	118 Å²	118	87.2 Å²	87.2	51%	0.513	43%	0.432	S	S	.	.	H	α-helix	trans	-62.2	-38.3	176.4	-158.6	176.6	-173.6	179	0	111.3	S83 R89 A91	S83-K87 PolarHBondContact O-N 2.98Å; K87-R89 VanDerWaalsContact C-N 3.33Å; K87-A91 PolarHBondContact O-N 3.08Å
88	G	50.1	Low	64	Low	53 Å²	53	81.1 Å²	81.1	55%	0.546	41%	0.412	S	S	.	.	H	α-helix	trans	-75.9	-12	171.6	0	0	0	0	0	115.4	K84 E86	K84-G88 PolarHBondContact O-N 3.24Å; K84-G88 VanDerWaalsContact O-N 3.12Å; E86-G88 VanDerWaalsContact C-N 3.27Å; E86-G88 PolarHBondContact O-N 2.65Å
89	R	46.6	Very low	65.3	Low	179 Å²	179	79.3 Å²	79.3	68%	0.675	40%	0.399	S	S	*	.	H	α-helix	trans	-88	-33.4	173.4	-87	175	160.1	177.3	-7.7	112.9	K85 E86 K87	K85-R89 WeakPolarHBondContact O-CG 3.43Å; K85-R89 PolarHBondContact O-N 3.22Å; E86-R89 WeakPolarHBondContact O-CB 3.41Å; E86-R89 PolarHBondContact O-N 3.41Å; K87-R89 VanDerWaalsContact C-N 3.33Å
90	K	44.3	Very low	66.6	Low	165 Å²	165	74.3 Å²	74.3	72%	0.717	38%	0.376	S	S	*	.	H	α-helix	trans	-84.3	-33.4	-177.1	-76.9	-172.1	175.9	-177.8	0	113.9	E86	E86-K90 PolarHBondContact O-N 2.93Å
91	A	44.1	Very low	68.2	Low	71 Å²	71	77.4 Å²	77.4	59%	0.587	39%	0.386	S	S	*	.	S	Bend	trans	-96	102.2	164.6	0	0	0	0	0	105.8	K87	K87-A91 PolarHBondContact O-N 3.08Å
92	G	56.2	Low	69.7	Low	29 Å²	29	77.5 Å²	77.5	30%	0.299	39%	0.385	S	S	.	.			trans	-45.7	151.4	175	0	0	0	0	0	111.1	E96	G92-E96 WeakPolarHBondContact CA-OE2 3.27Å
93	S	76.2	Confident	71.5	Confident	58 Å²	58	72.8 Å²	72.8	41%	0.406	36%	0.363	S	S	.	.			trans	-55.7	152.3	-177.9	73.3	0	0	0	0	110.2	L95 E96 R97	S93-L95 PolarHBondContact O-N 3.32Å; S93-L95 VanDerWaalsContact O-N 3.09Å; S93-E96 WeakPolarHBondContact O-CA 3.48Å; S93-E96 VanDerWaalsContact O-CB 3.27Å; S93-E96 WeakPolarHBondContact O-CB 3.4Å; S93-E96 PolarHBondContact O-N 2.96Å; S93-E96 WeakPolarHBondContact OG-CB 3.48Å; S93-E96 PolarHBondContact OG-N 3.07Å; S93-R97 PolarHBondContact O-N 2.96Å
94	K	87	Confident	73.1	Confident	108 Å²	108	78 Å²	78	47%	0.47	39%	0.385	S	S	.	.	H	α-helix	trans	-55.8	-33.2	179.1	-165.9	170.8	162	-98.7	0	111.7	T98 E155	K94-T98 PolarHBondContact O-N 3.21Å; K94-T98 VanDerWaalsContact O-N 3.09Å; K94-T98 PolarHBondContact O-OG1 3.09Å; K94-E155 VanDerWaalsContact CB-OE1 3.25Å; K94-E155 WeakPolarHBondContact CB-OE1 3.45Å; K94-E155 WeakPolarHBondContact CD-OE1 3.02Å; K94-E155 WeakPolarHBondContact CE-OE1 3.5Å; K94-E155 WeakPolarHBondContact CE-OE2 3.41Å; K94-E155 VanDerWaalsContact CG-CD 3.45Å; K94-E155 WeakPolarHBondContact CG-OE1 3.49Å; K94-E155 IonicContact NZ-OE1 3.78Å; K94-E155 PolarHBondContact NZ-OE1 3.17Å; K94-E155 IonicContact NZ-OE2 2.76Å; K94-E155 PolarHBondContact NZ-OE2 2.89Å
95	L	90.2	Very high	75	Confident	13 Å²	13	76.9 Å²	76.9	7%	0.068	39%	0.39	C	S	.	.	H	α-helix	trans	-61	-47.3	169.6	-177	64.4	0	0	0	113.3	S93 R97 T98 I99 P119 V152 E155 L156	S93-L95 PolarHBondContact O-N 3.32Å; S93-L95 VanDerWaalsContact O-N 3.09Å; L95-R97 VanDerWaalsContact C-N 3.34Å; L95-R97 PolarHBondContact O-N 3.33Å; L95-T98 PolarHBondContact O-N 2.95Å; L95-I99 HydrophobicContact CD1-CD1 3.78Å; L95-I99 HydrophobicContact CD1-CG1 4.23Å; L95-I99 HydrophobicContact CD2-CD1 4.44Å; L95-I99 HydrophobicContact CG-CD1 3.72Å; L95-I99 HydrophobicContact CG-CG1 4.5Å; L95-I99 VanDerWaalsContact O-CG1 3.27Å; L95-I99 WeakPolarHBondContact O-CG1 3.45Å; L95-I99 PolarHBondContact O-N 3.09Å; L95-P119 HydrophobicContact CD2-CG 3.75Å; L95-V152 HydrophobicContact CD1-CB 4.41Å; L95-V152 HydrophobicContact CD1-CG1 4.41Å; L95-V152 HydrophobicContact CD1-CG2 4.17Å; L95-E155 HydrophobicContact CB-CG 4.02Å; L95-E155 HydrophobicContact CD1-CB 4.01Å; L95-E155 HydrophobicContact CD1-CG 4.09Å; L95-L156 HydrophobicContact CD2-CD2 4.48Å
96	E	92.6	Very high	76.8	Confident	12 Å²	12	73.9 Å²	73.9	6%	0.056	38%	0.378	C	S	.	.	H	α-helix	trans	-56.9	-48.4	176.8	-173.9	-172	149.2	0	0	111.4	G92 S93 T98 I99 Q100 W110 R115 L118	G92-E96 WeakPolarHBondContact CA-OE2 3.27Å; S93-E96 WeakPolarHBondContact O-CA 3.48Å; S93-E96 VanDerWaalsContact O-CB 3.27Å; S93-E96 WeakPolarHBondContact O-CB 3.4Å; S93-E96 PolarHBondContact O-N 2.96Å; S93-E96 WeakPolarHBondContact OG-CB 3.48Å; S93-E96 PolarHBondContact OG-N 3.07Å; E96-T98 PolarHBondContact O-N 3.28Å; E96-I99 PolarHBondContact O-N 3.06Å; E96-Q100 WeakPolarHBondContact O-CB 3.27Å; E96-Q100 WeakPolarHBondContact O-CG 3.42Å; E96-Q100 PolarHBondContact O-N 3.45Å; E96-Q100 PolarHBondContact OE1-NE2 3.02Å; E96-W110 HydrophobicContact CG-CH2 3.88Å; E96-W110 HydrophobicContact CG-CZ2 3.64Å; E96-R115 VanDerWaalsContact CD-NE 3.3Å; E96-R115 IonicContact OE1-CZ 2.62Å; E96-R115 IonicContact OE1-NE 3.33Å; E96-R115 PolarHBondContact OE1-NE 2.67Å; E96-R115 IonicContact OE1-NH2 3.72Å; E96-R115 PolarHBondContact OE1-NH2 3.34Å; E96-R115 IonicContact OE2-NE 2.72Å; E96-R115 PolarHBondContact OE2-NE 3.4Å; E96-L118 HydrophobicContact CB-CD1 3.76Å; E96-L118 HydrophobicContact CG-CD1 3.96Å
97	R	91.8	Very high	78.8	Confident	133 Å²	133	72.5 Å²	72.5	50%	0.502	39%	0.391	S	S	.	.	H	α-helix	trans	-61.8	-43.8	178.6	-174.6	-179.6	61	-177.2	1	111.9	S93 L95 I99 Q100 E101	S93-R97 PolarHBondContact O-N 2.96Å; L95-R97 VanDerWaalsContact C-N 3.34Å; L95-R97 PolarHBondContact O-N 3.33Å; R97-I99 VanDerWaalsContact C-N 3.3Å; R97-I99 PolarHBondContact O-N 2.84Å; R97-Q100 WeakPolarHBondContact O-CB 3.33Å; R97-Q100 PolarHBondContact O-N 2.86Å; R97-E101 WeakPolarHBondContact CG-OE1 3.35Å; R97-E101 IonicContact NE-OE1 2.68Å; R97-E101 WeakPolarHBondContact O-CG 3.23Å; R97-E101 PolarHBondContact O-N 3.12Å
98	T	93.5	Very high	81	Confident	33 Å²	33	69.2 Å²	69.2	20%	0.202	38%	0.377	C	S	.	.	H	α-helix	trans	-62.2	-37.9	177.1	-66.8	0	0	0	0	112.3	K94 L95 E96 L102 A151	K94-T98 PolarHBondContact O-N 3.21Å; K94-T98 VanDerWaalsContact O-N 3.09Å; K94-T98 PolarHBondContact O-OG1 3.09Å; L95-T98 PolarHBondContact O-N 2.95Å; E96-T98 PolarHBondContact O-N 3.28Å; T98-L102 WeakPolarHBondContact O-CB 3.19Å; T98-L102 PolarHBondContact O-N 3.44Å; T98-L102 VanDerWaalsContact O-N 3.08Å; T98-A151 HydrophobicContact CG2-CB 4.1Å
99	I	94.3	Very high	82.9	Confident	0 Å²	0	76.7 Å²	76.7	0%	0	39%	0.389	C	S	.	.	H	α-helix	trans	-74.1	-36	177.6	-64.1	167.2	0	0	0	111	L95 E96 R97 L102 L103 W110 L118 F136 W141 L148 V152	L95-I99 HydrophobicContact CD1-CD1 3.78Å; L95-I99 HydrophobicContact CD1-CG1 4.23Å; L95-I99 HydrophobicContact CD2-CD1 4.44Å; L95-I99 HydrophobicContact CG-CD1 3.72Å; L95-I99 HydrophobicContact CG-CG1 4.5Å; L95-I99 VanDerWaalsContact O-CG1 3.27Å; L95-I99 WeakPolarHBondContact O-CG1 3.45Å; L95-I99 PolarHBondContact O-N 3.09Å; E96-I99 PolarHBondContact O-N 3.06Å; R97-I99 VanDerWaalsContact C-N 3.3Å; R97-I99 PolarHBondContact O-N 2.84Å; I99-L102 PolarHBondContact O-N 3.44Å; I99-L103 HydrophobicContact CG2-CD1 4.17Å; I99-L103 WeakPolarHBondContact O-CB 3.37Å; I99-L103 PolarHBondContact O-N 3.29Å; I99-W110 HydrophobicContact CB-CZ3 4.47Å; I99-W110 HydrophobicContact CG2-CZ3 3.95Å; I99-L118 HydrophobicContact CD1-CD1 4.16Å; I99-L118 HydrophobicContact CD1-CD2 3.46Å; I99-L118 VanDerWaalsContact CD1-CD2 3.46Å; I99-L118 HydrophobicContact CD1-CG 4.47Å; I99-F136 HydrophobicContact CD1-CE1 3.8Å; I99-F136 HydrophobicContact CD1-CZ 3.84Å; I99-W141 HydrophobicContact CG2-CH2 3.96Å; I99-W141 HydrophobicContact CG2-CZ3 3.68Å; I99-L148 HydrophobicContact CG1-CD1 4.29Å; I99-L148 HydrophobicContact CG2-CD1 4.33Å; I99-V152 HydrophobicContact CD1-CG2 4.33Å
100	Q	93.7	Very high	85	Confident	43 Å²	43	70.2 Å²	70.2	20%	0.201	37%	0.365	C	S	.	.	H	α-helix	trans	-58.6	-52.5	172.3	-79.3	167.4	-8	0	0	111.3	E96 R97 L102 L103 E104 W110	E96-Q100 WeakPolarHBondContact O-CB 3.27Å; E96-Q100 WeakPolarHBondContact O-CG 3.42Å; E96-Q100 PolarHBondContact O-N 3.45Å; E96-Q100 PolarHBondContact OE1-NE2 3.02Å; R97-Q100 WeakPolarHBondContact O-CB 3.33Å; R97-Q100 PolarHBondContact O-N 2.86Å; Q100-L102 VanDerWaalsContact C-N 3.26Å; Q100-L102 PolarHBondContact O-N 3.04Å; Q100-L103 PolarHBondContact O-N 2.87Å; Q100-E104 WeakPolarHBondContact O-CG 3.2Å; Q100-E104 PolarHBondContact O-N 3.4Å; Q100-W110 HydrophobicContact CB-CE3 4.33Å; Q100-W110 HydrophobicContact CG-CB 4.33Å; Q100-W110 HydrophobicContact CG-CD2 3.36Å; Q100-W110 HydrophobicContact CG-CE3 3.35Å; Q100-W110 HydrophobicContact CG-CG 3.8Å; Q100-W110 HydrophobicContact CG-CH2 4.22Å; Q100-W110 HydrophobicContact CG-CZ2 4.2Å; Q100-W110 HydrophobicContact CG-CZ3 3.82Å
101	E	93.2	Very high	87.2	Confident	106 Å²	106	66.5 Å²	66.5	50%	0.495	35%	0.351	S	S	.	.	H	α-helix	trans	-58	-39.5	176.9	-70.8	166.3	-174	0	0	111.5	R97 S105	R97-E101 WeakPolarHBondContact CG-OE1 3.35Å; R97-E101 IonicContact NE-OE1 2.68Å; R97-E101 WeakPolarHBondContact O-CG 3.23Å; R97-E101 PolarHBondContact O-N 3.12Å; E101-S105 WeakPolarHBondContact O-CB 3.07Å; E101-S105 PolarHBondContact O-N 3.41Å
102	L	94.5	Very high	89.2	Confident	24 Å²	24	68.5 Å²	68.5	13%	0.126	35%	0.348	C	S	.	.	H	α-helix	trans	-65.5	-47.3	176.6	-179.5	62.2	0	0	0	112	T98 I99 Q100 S105 Q106 I144 Q147 L148 A151	T98-L102 WeakPolarHBondContact O-CB 3.19Å; T98-L102 PolarHBondContact O-N 3.44Å; T98-L102 VanDerWaalsContact O-N 3.08Å; I99-L102 PolarHBondContact O-N 3.44Å; Q100-L102 VanDerWaalsContact C-N 3.26Å; Q100-L102 PolarHBondContact O-N 3.04Å; L102-S105 PolarHBondContact O-N 3Å; L102-S105 PolarHBondContact O-OG 2.93Å; L102-Q106 WeakPolarHBondContact O-CG 3.34Å; L102-Q106 PolarHBondContact O-N 3.29Å; L102-I144 HydrophobicContact CD2-CG2 3.72Å; L102-I144 HydrophobicContact CG-CG2 4.09Å; L102-Q147 HydrophobicContact CD1-CB 4.4Å; L102-L148 HydrophobicContact CD2-CD1 4.42Å; L102-A151 HydrophobicContact CD2-CB 3.89Å
103	L	93.4	Very high	90.8	Very high	0 Å²	0	72.1 Å²	72.1	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-59.4	-47.1	177.2	-84.2	164.8	0	0	0	111.7	I99 Q100 S105 Q106 G107 E108 W110 M114 I140 W141 I144	I99-L103 HydrophobicContact CG2-CD1 4.17Å; I99-L103 WeakPolarHBondContact O-CB 3.37Å; I99-L103 PolarHBondContact O-N 3.29Å; Q100-L103 PolarHBondContact O-N 2.87Å; L103-S105 VanDerWaalsContact C-N 3.27Å; L103-S105 PolarHBondContact O-N 3.02Å; L103-Q106 CarbonylContact O-C 3.55Å; L103-Q106 WeakPolarHBondContact O-CA 2.93Å; L103-Q106 PolarHBondContact O-N 3.04Å; L103-G107 PolarHBondContact O-N 2.85Å; L103-E108 CarbonylContact C-O 3.54Å; L103-E108 HydrophobicContact CB-CB 4.26Å; L103-E108 HydrophobicContact CD2-CB 3.59Å; L103-E108 HydrophobicContact CD2-CG 4.25Å; L103-E108 PolarHBondContact O-N 3.06Å; L103-W110 HydrophobicContact CD1-CE3 3.46Å; L103-W110 VanDerWaalsContact CD1-CE3 3.46Å; L103-W110 HydrophobicContact CD1-CZ3 3.78Å; L103-M114 HydrophobicContact CD1-CE 4.46Å; L103-M114 HydrophobicContact CD1-SD 3.61Å; L103-I140 HydrophobicContact CD2-CG1 3.99Å; L103-W141 HydrophobicContact CD1-CH2 3.91Å; L103-W141 HydrophobicContact CD1-CZ3 3.73Å; L103-W141 HydrophobicContact CD2-CZ3 4.24Å; L103-W141 HydrophobicContact CG-CZ3 4.19Å; L103-I144 HydrophobicContact CD2-CD1 3.46Å; L103-I144 VanDerWaalsContact CD2-CD1 3.46Å; L103-I144 HydrophobicContact CD2-CG1 4.23Å; L103-I144 HydrophobicContact CG-CD1 3.88Å
104	E	92.4	Very high	91.6	Very high	132 Å²	132	69.5 Å²	69.5	62%	0.617	34%	0.339	S	S	*	.	H	α-helix	trans	-59.3	-40.2	178	-72.4	175.4	-178.2	0	0	111.4	Q100 Q106 G107	Q100-E104 WeakPolarHBondContact O-CG 3.2Å; Q100-E104 PolarHBondContact O-N 3.4Å; E104-Q106 PolarHBondContact O-N 3.09Å; E104-G107 PolarHBondContact O-N 3.25Å
105	S	92.6	Very high	91.8	Very high	80 Å²	80	68.6 Å²	68.6	56%	0.559	33%	0.332	S	S	*	.	H	α-helix	trans	-64.1	-22.5	175.9	80.4	0	0	0	0	114	E101 L102 L103	E101-S105 WeakPolarHBondContact O-CB 3.07Å; E101-S105 PolarHBondContact O-N 3.41Å; L102-S105 PolarHBondContact O-N 3Å; L102-S105 PolarHBondContact O-OG 2.93Å; L103-S105 VanDerWaalsContact C-N 3.27Å; L103-S105 PolarHBondContact O-N 3.02Å
106	Q	90.6	Very high	91.8	Very high	95 Å²	95	71.7 Å²	71.7	44%	0.444	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	6	176	-60.9	-57	-54.9	0	0	112.8	L102 L103 E104 E108	L102-Q106 WeakPolarHBondContact O-CG 3.34Å; L102-Q106 PolarHBondContact O-N 3.29Å; L103-Q106 CarbonylContact O-C 3.55Å; L103-Q106 WeakPolarHBondContact O-CA 2.93Å; L103-Q106 PolarHBondContact O-N 3.04Å; E104-Q106 PolarHBondContact O-N 3.09Å; Q106-E108 VanDerWaalsContact C-N 3.26Å; Q106-E108 HydrophobicContact CB-CG 4.41Å; Q106-E108 PolarHBondContact O-N 3.26Å
107	G	91.1	Very high	91.8	Very high	70 Å²	70	71.6 Å²	71.6	72%	0.722	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	15.9	-176.9	0	0	0	0	0	114	L103 E104	L103-G107 PolarHBondContact O-N 2.85Å; E104-G107 PolarHBondContact O-N 3.25Å
108	E	91.9	Very high	91.9	Very high	50 Å²	50	65.8 Å²	65.8	23%	0.234	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-98	147.4	-179.9	-65.2	-65.7	172.2	0	0	111.6	L103 Q106 I140 K143	L103-E108 CarbonylContact C-O 3.54Å; L103-E108 HydrophobicContact CB-CB 4.26Å; L103-E108 HydrophobicContact CD2-CB 3.59Å; L103-E108 HydrophobicContact CD2-CG 4.25Å; L103-E108 PolarHBondContact O-N 3.06Å; Q106-E108 VanDerWaalsContact C-N 3.26Å; Q106-E108 HydrophobicContact CB-CG 4.41Å; Q106-E108 PolarHBondContact O-N 3.26Å; E108-I140 HydrophobicContact CB-CD1 4.49Å; E108-I140 HydrophobicContact CG-CD1 3.91Å; E108-K143 WeakPolarHBondContact OE1-CD 3.47Å; E108-K143 VanDerWaalsContact OE1-CE 3.29Å; E108-K143 WeakPolarHBondContact OE1-CE 3.43Å; E108-K143 IonicContact OE1-NZ 3.22Å; E108-K143 PolarHBondContact OE1-NZ 3.24Å
109	R	90.6	Very high	91.8	Very high	209 Å²	209	65.3 Å²	65.3	79%	0.789	33%	0.331	S	S	*	.	P	Polyproline II helix	trans	-96.2	133.1	-178.1	-174.1	178.3	177.1	177	0.9	111.3	M114	R109-M114 WeakPolarHBondContact O-CE 3.49Å
110	W	91.6	Very high	91.4	Very high	43 Å²	43	76.1 Å²	76.1	16%	0.163	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-65.9	134	170.5	-175.2	-99.9	0	0	0	112.4	E96 I99 Q100 L103 M114 R115 L118 W141	E96-W110 HydrophobicContact CG-CH2 3.88Å; E96-W110 HydrophobicContact CG-CZ2 3.64Å; I99-W110 HydrophobicContact CB-CZ3 4.47Å; I99-W110 HydrophobicContact CG2-CZ3 3.95Å; Q100-W110 HydrophobicContact CB-CE3 4.33Å; Q100-W110 HydrophobicContact CG-CB 4.33Å; Q100-W110 HydrophobicContact CG-CD2 3.36Å; Q100-W110 HydrophobicContact CG-CE3 3.35Å; Q100-W110 HydrophobicContact CG-CG 3.8Å; Q100-W110 HydrophobicContact CG-CH2 4.22Å; Q100-W110 HydrophobicContact CG-CZ2 4.2Å; Q100-W110 HydrophobicContact CG-CZ3 3.82Å; L103-W110 HydrophobicContact CD1-CE3 3.46Å; L103-W110 VanDerWaalsContact CD1-CE3 3.46Å; L103-W110 HydrophobicContact CD1-CZ3 3.78Å; W110-M114 HydrophobicContact CD2-CB 4.39Å; W110-M114 HydrophobicContact CD2-SD 4.35Å; W110-M114 HydrophobicContact CE3-CB 4.16Å; W110-M114 HydrophobicContact CE3-SD 3.93Å; W110-M114 HydrophobicContact CH2-CB 3.91Å; W110-M114 HydrophobicContact CZ2-CB 4.17Å; W110-M114 HydrophobicContact CZ3-CB 3.9Å; W110-M114 HydrophobicContact CZ3-SD 4.36Å; W110-R115 HydrophobicContact CZ2-CB 3.75Å; W110-L118 HydrophobicContact CH2-CD1 3.96Å; W110-L118 HydrophobicContact CH2-CG 4.32Å; W110-W141 HydrophobicContact CZ3-CH2 4.21Å
111	M	89.8	Confident	91	Very high	87 Å²	87	78.2 Å²	78.2	43%	0.429	39%	0.391	S	S	.	.			trans	-124.4	151.8	175.4	-60.1	-168.5	-73.8	0	0	111.1	E113 M114	M111-E113 HydrophobicContact CB-CG 3.92Å; M111-E113 HydrophobicContact CE-CG 4.44Å; M111-E113 WeakPolarHBondContact CE-OE1 3.32Å; M111-E113 PolarHBondContact O-N 3.31Å; M111-M114 HydrophobicContact CB-CE 4.4Å; M111-M114 HydrophobicContact CB-CG 4.3Å; M111-M114 HydrophobicContact CB-SD 4.38Å; M111-M114 HydrophobicContact CE-CE 3.74Å; M111-M114 HydrophobicContact CG-CE 4.31Å; M111-M114 PolarHBondContact N-SD 3.44Å; M111-M114 VanDerWaalsContact O-CB 3.25Å; M111-M114 WeakPolarHBondContact O-CB 3.26Å; M111-M114 PolarHBondContact O-N 3.13Å
112	E	87	Confident	91	Very high	114 Å²	114	77.2 Å²	77.2	53%	0.533	39%	0.385	S	S	.	.	H	α-helix	trans	-64.5	-28.1	-176.8	-167.2	62.6	-157	0	0	112.8	M114 R115 S116	E112-M114 VanDerWaalsContact C-N 3.27Å; E112-M114 PolarHBondContact O-N 3.24Å; E112-R115 WeakPolarHBondContact O-CB 3.48Å; E112-R115 PolarHBondContact O-N 2.92Å; E112-R115 WeakPolarHBondContact OE1-CD 3.32Å; E112-R115 IonicContact OE1-CZ 3.17Å; E112-R115 IonicContact OE1-NE 2.77Å; E112-R115 IonicContact OE1-NH1 3.8Å; E112-R115 PolarHBondContact OE1-NH1 3.39Å; E112-R115 IonicContact OE2-CZ 3.61Å; E112-R115 IonicContact OE2-NH1 2.78Å; E112-R115 PolarHBondContact OE2-NH1 3.34Å; E112-S116 PolarHBondContact O-N 3.47Å
113	E	89.6	Confident	90.8	Very high	104 Å²	104	80 Å²	80	49%	0.486	40%	0.398	S	S	.	.	H	α-helix	trans	-61.7	-34.3	172.7	59.3	178.7	-161.1	0	0	112.6	M111 R115 S116 D117 L138	M111-E113 HydrophobicContact CB-CG 3.92Å; M111-E113 HydrophobicContact CE-CG 4.44Å; M111-E113 WeakPolarHBondContact CE-OE1 3.32Å; M111-E113 PolarHBondContact O-N 3.31Å; E113-R115 VanDerWaalsContact C-N 3.3Å; E113-R115 PolarHBondContact O-N 2.92Å; E113-S116 PolarHBondContact O-N 2.93Å; E113-S116 VanDerWaalsContact O-N 3.11Å; E113-D117 PolarHBondContact O-N 3.35Å; E113-D117 VanDerWaalsContact O-N 3.07Å; E113-L138 HydrophobicContact CB-CD1 4.48Å; E113-L138 HydrophobicContact CG-CD1 4.06Å
114	M	92.6	Very high	90.7	Very high	3 Å²	3	84.6 Å²	84.6	2%	0.015	42%	0.415	C	S	.	.	H	α-helix	trans	-64.2	-37.3	177.5	-64.1	175	178.6	0	0	111.4	L103 R109 W110 M111 E112 S116 D117 L118 L138 I140 W141	L103-M114 HydrophobicContact CD1-CE 4.46Å; L103-M114 HydrophobicContact CD1-SD 3.61Å; R109-M114 WeakPolarHBondContact O-CE 3.49Å; W110-M114 HydrophobicContact CD2-CB 4.39Å; W110-M114 HydrophobicContact CD2-SD 4.35Å; W110-M114 HydrophobicContact CE3-CB 4.16Å; W110-M114 HydrophobicContact CE3-SD 3.93Å; W110-M114 HydrophobicContact CH2-CB 3.91Å; W110-M114 HydrophobicContact CZ2-CB 4.17Å; W110-M114 HydrophobicContact CZ3-CB 3.9Å; W110-M114 HydrophobicContact CZ3-SD 4.36Å; M111-M114 HydrophobicContact CB-CE 4.4Å; M111-M114 HydrophobicContact CB-CG 4.3Å; M111-M114 HydrophobicContact CB-SD 4.38Å; M111-M114 HydrophobicContact CE-CE 3.74Å; M111-M114 HydrophobicContact CG-CE 4.31Å; M111-M114 PolarHBondContact N-SD 3.44Å; M111-M114 VanDerWaalsContact O-CB 3.25Å; M111-M114 WeakPolarHBondContact O-CB 3.26Å; M111-M114 PolarHBondContact O-N 3.13Å; E112-M114 VanDerWaalsContact C-N 3.27Å; E112-M114 PolarHBondContact O-N 3.24Å; M114-S116 VanDerWaalsContact C-N 3.29Å; M114-S116 PolarHBondContact O-N 3.21Å; M114-D117 PolarHBondContact O-N 3.25Å; M114-L118 WeakPolarHBondContact O-CG 3.37Å; M114-L118 PolarHBondContact O-N 3.04Å; M114-L138 HydrophobicContact CG-CD1 4.04Å; M114-I140 HydrophobicContact CE-CB 4.44Å; M114-I140 HydrophobicContact CE-CG1 4.06Å; M114-I140 HydrophobicContact CE-CG2 4.04Å; M114-W141 HydrophobicContact CB-CH2 3.73Å; M114-W141 HydrophobicContact CB-CZ2 3.63Å; M114-W141 HydrophobicContact CG-CH2 3.85Å; M114-W141 HydrophobicContact CG-CZ2 3.78Å; M114-W141 HydrophobicContact SD-CH2 4.01Å
115	R	91.1	Very high	90.7	Very high	90 Å²	90	78.6 Å²	78.6	34%	0.34	39%	0.387	S	S	.	.	H	α-helix	trans	-60	-42.9	174.2	-175.2	-177.9	-78.2	161	-6.1	111.3	E96 W110 E112 E113 D117 L118	E96-R115 VanDerWaalsContact CD-NE 3.3Å; E96-R115 IonicContact OE1-CZ 2.62Å; E96-R115 IonicContact OE1-NE 3.33Å; E96-R115 PolarHBondContact OE1-NE 2.67Å; E96-R115 IonicContact OE1-NH2 3.72Å; E96-R115 PolarHBondContact OE1-NH2 3.34Å; E96-R115 IonicContact OE2-NE 2.72Å; E96-R115 PolarHBondContact OE2-NE 3.4Å; W110-R115 HydrophobicContact CZ2-CB 3.75Å; E112-R115 WeakPolarHBondContact O-CB 3.48Å; E112-R115 PolarHBondContact O-N 2.92Å; E112-R115 WeakPolarHBondContact OE1-CD 3.32Å; E112-R115 IonicContact OE1-CZ 3.17Å; E112-R115 IonicContact OE1-NE 2.77Å; E112-R115 IonicContact OE1-NH1 3.8Å; E112-R115 PolarHBondContact OE1-NH1 3.39Å; E112-R115 IonicContact OE2-CZ 3.61Å; E112-R115 IonicContact OE2-NH1 2.78Å; E112-R115 PolarHBondContact OE2-NH1 3.34Å; E113-R115 VanDerWaalsContact C-N 3.3Å; E113-R115 PolarHBondContact O-N 2.92Å; R115-D117 PolarHBondContact O-N 3.19Å; R115-L118 PolarHBondContact O-N 3.43Å
116	S	89.4	Confident	90.5	Very high	77 Å²	77	77.3 Å²	77.3	54%	0.538	39%	0.386	S	S	.	.	H	α-helix	trans	-70.3	-25.5	-178.5	-64.7	0	0	0	0	112.6	E112 E113 M114	E112-S116 PolarHBondContact O-N 3.47Å; E113-S116 PolarHBondContact O-N 2.93Å; E113-S116 VanDerWaalsContact O-N 3.11Å; M114-S116 VanDerWaalsContact C-N 3.29Å; M114-S116 PolarHBondContact O-N 3.21Å
117	D	93.9	Very high	90.7	Very high	11 Å²	11	75.4 Å²	75.4	6%	0.059	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-3.2	177.5	-162.4	36.8	0	0	0	113.3	E113 M114 R115 C135 F136 T137 L138 W141	E113-D117 PolarHBondContact O-N 3.35Å; E113-D117 VanDerWaalsContact O-N 3.07Å; M114-D117 PolarHBondContact O-N 3.25Å; R115-D117 PolarHBondContact O-N 3.19Å; D117-C135 CarbonylContact O-C 3.53Å; D117-C135 WeakPolarHBondContact O-CA 3.49Å; D117-C135 VanDerWaalsContact O-CB 3.26Å; D117-C135 WeakPolarHBondContact O-CB 3.49Å; D117-F136 PolarHBondContact O-N 2.98Å; D117-F136 PolarHBondContact OD1-N 3.01Å; D117-F136 WeakPolarHBondContact OD2-CA 3.24Å; D117-T137 VanDerWaalsContact CG-N 3.33Å; D117-T137 PolarHBondContact OD1-N 3.09Å; D117-T137 VanDerWaalsContact OD1-N 3.11Å; D117-T137 PolarHBondContact OD1-OG1 2.99Å; D117-T137 PolarHBondContact OD2-N 3.01Å; D117-L138 HydrophobicContact CB-CD1 4.04Å; D117-L138 HydrophobicContact CB-CG 4.24Å; D117-L138 WeakPolarHBondContact OD2-CG 3.34Å; D117-L138 PolarHBondContact OD2-N 2.65Å; D117-W141 PolarHBondContact OD2-NE1 3.3Å
118	L	93.2	Very high	90.9	Very high	11 Å²	11	72.1 Å²	72.1	6%	0.058	35%	0.345	C	S	.	.	S	Bend	trans	-75.8	150	172	-66.5	-168.1	0	0	0	112.3	E96 I99 W110 M114 R115 R120 F136	E96-L118 HydrophobicContact CB-CD1 3.76Å; E96-L118 HydrophobicContact CG-CD1 3.96Å; I99-L118 HydrophobicContact CD1-CD1 4.16Å; I99-L118 HydrophobicContact CD1-CD2 3.46Å; I99-L118 VanDerWaalsContact CD1-CD2 3.46Å; I99-L118 HydrophobicContact CD1-CG 4.47Å; W110-L118 HydrophobicContact CH2-CD1 3.96Å; W110-L118 HydrophobicContact CH2-CG 4.32Å; M114-L118 WeakPolarHBondContact O-CG 3.37Å; M114-L118 PolarHBondContact O-N 3.04Å; R115-L118 PolarHBondContact O-N 3.43Å; L118-R120 PolarHBondContact O-N 3.35Å; L118-F136 HydrophobicContact CD2-CD1 4.33Å; L118-F136 HydrophobicContact CD2-CE1 3.54Å; L118-F136 HydrophobicContact CD2-CZ 3.92Å
119	P	91.6	Very high	91.1	Very high	22 Å²	22	69.7 Å²	69.7	14%	0.143	33%	0.334	C	S	.	.			trans	-63.6	130.1	177.9	24.9	-34.1	0	0	0	111.5	L95 L131 C135 F136	L95-P119 HydrophobicContact CD2-CG 3.75Å; P119-L131 HydrophobicContact CB-CD2 4.04Å; P119-L131 HydrophobicContact CG-CD2 4.13Å; P119-C135 HydrophobicContact CB-CB 4.11Å; P119-F136 HydrophobicContact CG-CE2 3.8Å; P119-F136 HydrophobicContact CG-CZ 4.27Å
120	R	85.5	Confident	91.3	Very high	227 Å²	227	60.1 Å²	60.1	86%	0.857	30%	0.298	S	S	*	.	S	Bend	trans	-87.8	-25.6	173.1	-62.7	-177.3	-177.3	176.3	2.1	112.9	L118	L118-R120 PolarHBondContact O-N 3.35Å
121	S	86.3	Confident	91.5	Very high	88 Å²	88	58.1 Å²	58.1	62%	0.615	29%	0.291	S	S	*	.			trans	-152.7	163.9	177.2	59.8	0	0	0	0	109.2
122	F	91.4	Very high	91.6	Very high	84 Å²	84	55.8 Å²	55.8	37%	0.368	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	157.1	177.4	56.5	-96.4	0	0	0	109.6	V129 L130 L131 L156	F122-V129 HydrophobicContact CB-CG1 3.76Å; F122-V129 HydrophobicContact CD2-CG1 3.69Å; F122-V129 HydrophobicContact CD2-CG2 4.19Å; F122-V129 HydrophobicContact CE2-CG2 4.35Å; F122-V129 HydrophobicContact CG-CG1 3.82Å; F122-L130 WeakPolarHBondContact CA-O 3.24Å; F122-L130 WeakPolarHBondContact CB-O 3.42Å; F122-L131 HydrophobicContact CB-CD2 3.86Å; F122-L156 HydrophobicContact CD1-CD1 4.25Å; F122-L156 HydrophobicContact CD1-CD2 4.22Å; F122-L156 HydrophobicContact CE1-CD1 4.36Å; F122-L156 HydrophobicContact CE1-CD2 3.6Å; F122-L156 HydrophobicContact CZ-CD2 4.03Å
123	Q	90.7	Very high	91.9	Very high	84 Å²	84	54 Å²	54	39%	0.393	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	150.3	170	-50.6	-177.9	26.6	0	0	109.6	V129 L130	Q123-V129 WeakPolarHBondContact O-CA 3.34Å; Q123-L130 HydrophobicContact CB-CB 4.19Å; Q123-L130 PolarHBondContact N-O 3.15Å; Q123-L130 PolarHBondContact O-N 2.69Å
124	R	91.4	Very high	92	Very high	96 Å²	96	53 Å²	53	36%	0.362	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	133.4	-180	-177.9	-179.1	-63.5	-110.9	-5	110.9	G126 L156 R157	R124-G126 WeakPolarHBondContact CG-O 3.48Å; R124-L156 PolarHBondContact NH1-O 3.12Å; R124-L156 PolarHBondContact NH2-O 2.88Å; R124-R157 PolarHBondContact NH1-O 3.07Å
125	H	91.9	Very high	92	Very high	5 Å²	5	53.1 Å²	53.1	2%	0.023	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	93.7	169.8	-59.2	-95.8	0	0	0	108.7	D127 L128 V187 H189 F195 F202	H125-D127 PolarHBondContact O-N 2.69Å; H125-D127 VanDerWaalsContact O-N 3.09Å; H125-L128 PolarHBondContact N-O 3.23Å; H125-L128 PolarHBondContact O-N 2.78Å; H125-V187 HydrophobicContact CB-CB 3.58Å; H125-V187 HydrophobicContact CB-CG1 3.69Å; H125-V187 HydrophobicContact CB-CG2 3.8Å; H125-H189 AromaticContact CE1-CE1 3.87Å; H125-H189 AromaticContact CE1-ND1 3.28Å; H125-H189 PolarHBondContact CE1-ND1 3.07Å; H125-H189 VanDerWaalsContact CE1-ND1 3.28Å; H125-H189 AromaticContact CG-ND1 3.91Å; H125-H189 AromaticContact ND1-CE1 3.91Å; H125-H189 AromaticContact ND1-CG 3.6Å; H125-H189 AromaticContact ND1-ND1 2.94Å; H125-H189 PolarHBondContact ND1-ND1 3.25Å; H125-F195 AromaticContact CE1-CZ 3.72Å; H125-F195 AromaticContact ND1-CZ 3.91Å; H125-F202 AromaticContact CE1-CD1 3.83Å
126	G	89.9	Confident	92.2	Very high	53 Å²	53	49.3 Å²	49.3	55%	0.546	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	-113.9	-174.3	0	0	0	0	0	112.1	R124	R124-G126 WeakPolarHBondContact CG-O 3.48Å
127	D	93.7	Very high	92.4	Very high	56 Å²	56	49.6 Å²	49.6	30%	0.299	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-2.6	179.4	72.1	-38.4	0	0	0	114.1	H125 A158 K159 R160	H125-D127 PolarHBondContact O-N 2.69Å; H125-D127 VanDerWaalsContact O-N 3.09Å; D127-A158 WeakPolarHBondContact O-CB 3.47Å; D127-K159 HydrophobicContact CB-CB 4.08Å; D127-K159 HydrophobicContact CB-CD 4.35Å; D127-K159 HydrophobicContact CB-CG 4.17Å; D127-K159 PolarHBondContact O-N 2.83Å; D127-R160 PolarHBondContact O-N 3.47Å; D127-R160 IonicContact OD1-CZ 3.94Å; D127-R160 IonicContact OD1-NE 3.15Å; D127-R160 PolarHBondContact OD1-NE 2.82Å; D127-R160 IonicContact OD1-NH2 2.65Å; D127-R160 PolarHBondContact OD1-NH2 3.33Å; D127-R160 IonicContact OD2-CZ 3.95Å; D127-R160 IonicContact OD2-NE 3.35Å; D127-R160 PolarHBondContact OD2-NE 3.26Å; D127-R160 VanDerWaalsContact OD2-NE 3.15Å; D127-R160 IonicContact OD2-NH2 2.69Å
128	L	96.4	Very high	92.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	131.7	172.3	-178.7	64.4	0	0	0	111	H125 L130 R160 A162 M179 V187 V197	H125-L128 PolarHBondContact N-O 3.23Å; H125-L128 PolarHBondContact O-N 2.78Å; L128-L130 HydrophobicContact CD2-CD2 3.95Å; L128-L130 HydrophobicContact CG-CD2 4.15Å; L128-R160 HydrophobicContact CB-CB 4.22Å; L128-R160 HydrophobicContact CD1-CB 3.42Å; L128-R160 VanDerWaalsContact CD1-CB 3.42Å; L128-R160 HydrophobicContact CG-CB 4.42Å; L128-A162 HydrophobicContact CD1-CB 4.38Å; L128-M179 HydrophobicContact CD1-CE 3.8Å; L128-M179 HydrophobicContact CD1-SD 4.41Å; L128-V187 HydrophobicContact CB-CG1 3.95Å; L128-V187 HydrophobicContact CD2-CG1 3.4Å; L128-V187 HydrophobicContact CG-CG1 4.28Å; L128-V197 HydrophobicContact CD2-CG1 4.1Å; L128-V197 HydrophobicContact CD2-CG2 3.78Å
129	V	95.6	Very high	92.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	131.9	169.5	168.6	0	0	0	0	110.2	F122 Q123 L131 L156 A158 R160 L161 A162	F122-V129 HydrophobicContact CB-CG1 3.76Å; F122-V129 HydrophobicContact CD2-CG1 3.69Å; F122-V129 HydrophobicContact CD2-CG2 4.19Å; F122-V129 HydrophobicContact CE2-CG2 4.35Å; F122-V129 HydrophobicContact CG-CG1 3.82Å; Q123-V129 WeakPolarHBondContact O-CA 3.34Å; V129-L131 HydrophobicContact CG1-CD2 3.87Å; V129-L131 HydrophobicContact CG1-CG 4.42Å; V129-L156 HydrophobicContact CG1-CD1 3.92Å; V129-A158 HydrophobicContact CB-CB 4.28Å; V129-A158 HydrophobicContact CG2-CB 3.59Å; V129-R160 PolarHBondContact N-O 2.78Å; V129-R160 VanDerWaalsContact N-O 3.09Å; V129-L161 HydrophobicContact CB-CD1 3.94Å; V129-L161 HydrophobicContact CG1-CD1 3.91Å; V129-L161 WeakPolarHBondContact O-CA 3.42Å; V129-A162 PolarHBondContact O-N 3.41Å
130	L	94.7	Very high	92.5	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.037	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	114.2	173	-54.1	177.8	0	0	0	109.3	F122 Q123 L128 A162 M164 V177 V197	F122-L130 WeakPolarHBondContact CA-O 3.24Å; F122-L130 WeakPolarHBondContact CB-O 3.42Å; Q123-L130 HydrophobicContact CB-CB 4.19Å; Q123-L130 PolarHBondContact N-O 3.15Å; Q123-L130 PolarHBondContact O-N 2.69Å; L128-L130 HydrophobicContact CD2-CD2 3.95Å; L128-L130 HydrophobicContact CG-CD2 4.15Å; L130-A162 WeakPolarHBondContact CA-O 3.24Å; L130-A162 HydrophobicContact CD2-CB 3.63Å; L130-M164 HydrophobicContact CD1-SD 4.29Å; L130-V177 HydrophobicContact CD2-CG1 4.22Å; L130-V197 HydrophobicContact CD1-CB 4.47Å; L130-V197 HydrophobicContact CD1-CG1 4.4Å; L130-V197 HydrophobicContact CD2-CG2 4.22Å
131	L	95.2	Very high	92.9	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	152.6	173.8	-58.9	-178.3	0	0	0	110.5	P119 F122 V129 F136 V152 L156 L161 A162 K163 M164	P119-L131 HydrophobicContact CB-CD2 4.04Å; P119-L131 HydrophobicContact CG-CD2 4.13Å; F122-L131 HydrophobicContact CB-CD2 3.86Å; V129-L131 HydrophobicContact CG1-CD2 3.87Å; V129-L131 HydrophobicContact CG1-CG 4.42Å; L131-F136 HydrophobicContact CD1-CD2 3.87Å; L131-F136 HydrophobicContact CD1-CE2 3.72Å; L131-V152 HydrophobicContact CD1-CG1 4.46Å; L131-L156 HydrophobicContact CD2-CD1 4.23Å; L131-L161 HydrophobicContact CD1-CD1 3.85Å; L131-L161 HydrophobicContact CD1-CD2 4.03Å; L131-L161 HydrophobicContact CD1-CG 4.13Å; L131-L161 HydrophobicContact CD2-CD1 4.32Å; L131-L161 HydrophobicContact CG-CD1 3.81Å; L131-L161 HydrophobicContact CG-CG 4.44Å; L131-A162 PolarHBondContact N-O 2.79Å; L131-K163 HydrophobicContact CB-CG 4.01Å; L131-K163 CarbonylContact O-C 3.55Å; L131-K163 WeakPolarHBondContact O-CA 3.42Å; L131-M164 PolarHBondContact O-N 3.26Å
132	A	92.6	Very high	93.1	Very high	39 Å²	39	46.7 Å²	46.7	32%	0.322	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	146.5	169.8	0	0	0	0	0	110.7	S134 C135	A132-S134 PolarHBondContact O-N 3.22Å; A132-C135 PolarHBondContact O-N 2.91Å; A132-C135 PolarHBondContact O-SG 2.77Å
133	D	92.6	Very high	93	Very high	75 Å²	75	50 Å²	50	40%	0.401	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.3	173.9	63.3	-14.6	0	0	0	113.8	C135 T137 K163 M164 S165	D133-C135 VanDerWaalsContact C-N 3.26Å; D133-C135 PolarHBondContact O-N 3.43Å; D133-T137 WeakPolarHBondContact O-CG2 3.49Å; D133-K163 VanDerWaalsContact O-CE 3.25Å; D133-K163 WeakPolarHBondContact O-CE 3.24Å; D133-K163 PolarHBondContact O-NZ 2.85Å; D133-M164 PolarHBondContact N-O 3.37Å; D133-S165 WeakPolarHBondContact OD2-CA 3.45Å; D133-S165 WeakPolarHBondContact OD2-CB 3.09Å
134	S	91.6	Very high	93	Very high	85 Å²	85	46.6 Å²	46.6	59%	0.594	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-0.5	-179.2	62.1	0	0	0	0	116.3	A132	A132-S134 PolarHBondContact O-N 3.22Å
135	C	93.4	Very high	92.7	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.034	26%	0.261	C	S	.	.	S	Bend	trans	-113.2	156.4	173.5	71.5	0	0	0	0	111.3	D117 P119 A132 D133 K163	D117-C135 CarbonylContact O-C 3.53Å; D117-C135 WeakPolarHBondContact O-CA 3.49Å; D117-C135 VanDerWaalsContact O-CB 3.26Å; D117-C135 WeakPolarHBondContact O-CB 3.49Å; P119-C135 HydrophobicContact CB-CB 4.11Å; A132-C135 PolarHBondContact O-N 2.91Å; A132-C135 PolarHBondContact O-SG 2.77Å; D133-C135 VanDerWaalsContact C-N 3.26Å; D133-C135 PolarHBondContact O-N 3.43Å; C135-K163 VanDerWaalsContact O-CE 3.23Å; C135-K163 WeakPolarHBondContact O-CE 3.46Å; C135-K163 PolarHBondContact O-NZ 2.93Å
136	F	94.6	Very high	92.6	Very high	9 Å²	9	48.5 Å²	48.5	4%	0.039	29%	0.29	C	S	.	.	S	Bend	trans	51.5	54.2	-172.8	-56.4	-73.6	0	0	0	111.7	I99 D117 L118 P119 L131 W141 L148 W149 V152 K163	I99-F136 HydrophobicContact CD1-CE1 3.8Å; I99-F136 HydrophobicContact CD1-CZ 3.84Å; D117-F136 PolarHBondContact O-N 2.98Å; D117-F136 PolarHBondContact OD1-N 3.01Å; D117-F136 WeakPolarHBondContact OD2-CA 3.24Å; L118-F136 HydrophobicContact CD2-CD1 4.33Å; L118-F136 HydrophobicContact CD2-CE1 3.54Å; L118-F136 HydrophobicContact CD2-CZ 3.92Å; P119-F136 HydrophobicContact CG-CE2 3.8Å; P119-F136 HydrophobicContact CG-CZ 4.27Å; L131-F136 HydrophobicContact CD1-CD2 3.87Å; L131-F136 HydrophobicContact CD1-CE2 3.72Å; F136-W141 VanDerWaalsContact C-CD1 3.4Å; F136-W141 HydrophobicContact CB-CG 4.19Å; F136-W141 AromaticContact CD1-CD2 3.97Å; F136-W141 HydrophobicContact CD1-CD2 3.97Å; F136-W141 HydrophobicContact CD1-CE3 4.5Å; F136-W141 HydrophobicContact CD1-CG 4.02Å; F136-L148 HydrophobicContact CD1-CD2 4.03Å; F136-L148 HydrophobicContact CE1-CD1 4.08Å; F136-L148 HydrophobicContact CE1-CD2 4.33Å; F136-W149 HydrophobicContact CB-CH2 3.85Å; F136-W149 HydrophobicContact CB-CZ3 4.14Å; F136-W149 HydrophobicContact CD1-CZ3 4.21Å; F136-W149 HydrophobicContact CD2-CH2 4.47Å; F136-W149 AromaticContact CD2-CZ3 3.92Å; F136-W149 HydrophobicContact CD2-CZ3 3.92Å; F136-W149 HydrophobicContact CE2-CZ3 4.34Å; F136-W149 HydrophobicContact CG-CH2 4.08Å; F136-W149 AromaticContact CG-CZ3 3.85Å; F136-W149 HydrophobicContact CG-CZ3 3.85Å; F136-V152 HydrophobicContact CE1-CG2 4.34Å; F136-V152 HydrophobicContact CE2-CG2 4.25Å; F136-V152 HydrophobicContact CZ-CG2 3.68Å; F136-K163 PolarHBondContact O-NZ 2.83Å
137	T	94.3	Very high	92.8	Very high	84 Å²	84	50.9 Å²	50.9	52%	0.515	29%	0.287	S	S	.	.			trans	-99.8	-22.6	-179.9	63.7	0	0	0	0	112.8	D117 D133	D117-T137 VanDerWaalsContact CG-N 3.33Å; D117-T137 PolarHBondContact OD1-N 3.09Å; D117-T137 VanDerWaalsContact OD1-N 3.11Å; D117-T137 PolarHBondContact OD1-OG1 2.99Å; D117-T137 PolarHBondContact OD2-N 3.01Å; D133-T137 WeakPolarHBondContact O-CG2 3.49Å
138	L	94.8	Very high	92.9	Very high	37 Å²	37	48.2 Å²	48.2	19%	0.194	27%	0.272	C	S	.	.	S	Bend	trans	-66.4	142.5	-179.9	-62.6	170.9	0	0	0	112	E113 M114 D117 I140 W141	E113-L138 HydrophobicContact CB-CD1 4.48Å; E113-L138 HydrophobicContact CG-CD1 4.06Å; M114-L138 HydrophobicContact CG-CD1 4.04Å; D117-L138 HydrophobicContact CB-CD1 4.04Å; D117-L138 HydrophobicContact CB-CG 4.24Å; D117-L138 WeakPolarHBondContact OD2-CG 3.34Å; D117-L138 PolarHBondContact OD2-N 2.65Å; L138-I140 HydrophobicContact CB-CG2 3.89Å; L138-I140 PolarHBondContact O-N 3.45Å; L138-I140 VanDerWaalsContact O-N 3.08Å; L138-W141 PolarHBondContact O-N 3.16Å; L138-W141 VanDerWaalsContact O-N 3.15Å
139	P	93.3	Very high	92.8	Very high	103 Å²	103	49.4 Å²	49.4	67%	0.669	28%	0.277	S	S	*	.	H	α-helix	trans	-58.3	-27.1	-178.1	-26.7	34.8	0	0	0	114.8	W141 N142	P139-W141 PolarHBondContact O-N 2.89Å; P139-N142 WeakPolarHBondContact O-CB 3.29Å; P139-N142 PolarHBondContact O-N 3.31Å; P139-N142 VanDerWaalsContact O-N 3.13Å
140	I	92.5	Very high	92.8	Very high	31 Å²	31	52.2 Å²	52.2	16%	0.159	30%	0.297	C	S	.	.	H	α-helix	trans	-56.5	-33.8	178.7	-169.7	59.6	0	0	0	112.6	L103 E108 M114 L138 N142 K143 I144	L103-I140 HydrophobicContact CD2-CG1 3.99Å; E108-I140 HydrophobicContact CB-CD1 4.49Å; E108-I140 HydrophobicContact CG-CD1 3.91Å; M114-I140 HydrophobicContact CE-CB 4.44Å; M114-I140 HydrophobicContact CE-CG1 4.06Å; M114-I140 HydrophobicContact CE-CG2 4.04Å; L138-I140 HydrophobicContact CB-CG2 3.89Å; L138-I140 PolarHBondContact O-N 3.45Å; L138-I140 VanDerWaalsContact O-N 3.08Å; I140-N142 VanDerWaalsContact C-N 3.29Å; I140-N142 PolarHBondContact O-N 2.62Å; I140-K143 HydrophobicContact CD1-CD 4.29Å; I140-K143 VanDerWaalsContact O-CB 3.31Å; I140-K143 WeakPolarHBondContact O-CB 3.43Å; I140-K143 PolarHBondContact O-N 3.46Å; I140-I144 PolarHBondContact O-N 2.72Å
141	W	93.6	Very high	92.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66	-33.3	-179.5	-53.2	128.8	0	0	0	112.5	I99 L103 W110 M114 D117 F136 L138 P139 K143 I144 G145 L148	I99-W141 HydrophobicContact CG2-CH2 3.96Å; I99-W141 HydrophobicContact CG2-CZ3 3.68Å; L103-W141 HydrophobicContact CD1-CH2 3.91Å; L103-W141 HydrophobicContact CD1-CZ3 3.73Å; L103-W141 HydrophobicContact CD2-CZ3 4.24Å; L103-W141 HydrophobicContact CG-CZ3 4.19Å; W110-W141 HydrophobicContact CZ3-CH2 4.21Å; M114-W141 HydrophobicContact CB-CH2 3.73Å; M114-W141 HydrophobicContact CB-CZ2 3.63Å; M114-W141 HydrophobicContact CG-CH2 3.85Å; M114-W141 HydrophobicContact CG-CZ2 3.78Å; M114-W141 HydrophobicContact SD-CH2 4.01Å; D117-W141 PolarHBondContact OD2-NE1 3.3Å; F136-W141 VanDerWaalsContact C-CD1 3.4Å; F136-W141 HydrophobicContact CB-CG 4.19Å; F136-W141 AromaticContact CD1-CD2 3.97Å; F136-W141 HydrophobicContact CD1-CD2 3.97Å; F136-W141 HydrophobicContact CD1-CE3 4.5Å; F136-W141 HydrophobicContact CD1-CG 4.02Å; L138-W141 PolarHBondContact O-N 3.16Å; L138-W141 VanDerWaalsContact O-N 3.15Å; P139-W141 PolarHBondContact O-N 2.89Å; W141-K143 VanDerWaalsContact C-N 3.27Å; W141-K143 PolarHBondContact O-N 3.02Å; W141-I144 HydrophobicContact CE3-CD1 3.66Å; W141-I144 HydrophobicContact CZ3-CD1 3.87Å; W141-I144 PolarHBondContact O-N 3.33Å; W141-G145 PolarHBondContact O-N 2.77Å; W141-G145 VanDerWaalsContact O-N 3.16Å; W141-L148 HydrophobicContact CB-CD2 3.65Å; W141-L148 HydrophobicContact CD2-CD2 4.3Å; W141-L148 HydrophobicContact CE3-CD1 4.38Å; W141-L148 HydrophobicContact CE3-CD2 4.04Å; W141-L148 HydrophobicContact CG-CD2 4.17Å
142	N	90.1	Very high	92.8	Very high	127 Å²	127	52.6 Å²	52.6	68%	0.679	30%	0.301	S	S	*	.	H	α-helix	trans	-67.4	-30.5	174.7	-61.7	-29.1	0	0	0	111.6	P139 I140 G145	P139-N142 WeakPolarHBondContact O-CB 3.29Å; P139-N142 PolarHBondContact O-N 3.31Å; P139-N142 VanDerWaalsContact O-N 3.13Å; I140-N142 VanDerWaalsContact C-N 3.29Å; I140-N142 PolarHBondContact O-N 2.62Å; N142-G145 PolarHBondContact O-N 3.2Å
143	K	89.9	Confident	92.9	Very high	152 Å²	152	51.1 Å²	51.1	66%	0.661	29%	0.288	S	S	*	.	H	α-helix	trans	-68.7	-35.9	176.1	-172.6	179.5	177.4	179.8	0	112	E108 I140 W141	E108-K143 WeakPolarHBondContact OE1-CD 3.47Å; E108-K143 VanDerWaalsContact OE1-CE 3.29Å; E108-K143 WeakPolarHBondContact OE1-CE 3.43Å; E108-K143 IonicContact OE1-NZ 3.22Å; E108-K143 PolarHBondContact OE1-NZ 3.24Å; I140-K143 HydrophobicContact CD1-CD 4.29Å; I140-K143 VanDerWaalsContact O-CB 3.31Å; I140-K143 WeakPolarHBondContact O-CB 3.43Å; I140-K143 PolarHBondContact O-N 3.46Å; W141-K143 VanDerWaalsContact C-N 3.27Å; W141-K143 PolarHBondContact O-N 3.02Å
144	I	90.3	Very high	93	Very high	14 Å²	14	55.9 Å²	55.9	7%	0.072	31%	0.305	C	S	.	.	H	α-helix	trans	-72.8	-33.4	176.7	-51	176.5	0	0	0	111.1	L102 L103 I140 W141 Q147 L148	L102-I144 HydrophobicContact CD2-CG2 3.72Å; L102-I144 HydrophobicContact CG-CG2 4.09Å; L103-I144 HydrophobicContact CD2-CD1 3.46Å; L103-I144 VanDerWaalsContact CD2-CD1 3.46Å; L103-I144 HydrophobicContact CD2-CG1 4.23Å; L103-I144 HydrophobicContact CG-CD1 3.88Å; I140-I144 PolarHBondContact O-N 2.72Å; W141-I144 HydrophobicContact CE3-CD1 3.66Å; W141-I144 HydrophobicContact CZ3-CD1 3.87Å; W141-I144 PolarHBondContact O-N 3.33Å; I144-Q147 HydrophobicContact CG2-CB 4.32Å; I144-L148 HydrophobicContact CB-CB 4.07Å; I144-L148 HydrophobicContact CG2-CB 3.76Å
145	G	86.4	Confident	93.1	Very high	22 Å²	22	53.5 Å²	53.5	23%	0.227	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.7	-140.9	174.4	0	0	0	0	0	113.4	W141 N142 Q147 L148	W141-G145 PolarHBondContact O-N 2.77Å; W141-G145 VanDerWaalsContact O-N 3.16Å; N142-G145 PolarHBondContact O-N 3.2Å; G145-Q147 PolarHBondContact O-N 3.02Å; G145-Q147 VanDerWaalsContact O-N 3.12Å; G145-L148 VanDerWaalsContact O-CB 3.24Å; G145-L148 WeakPolarHBondContact O-CB 3.25Å; G145-L148 PolarHBondContact O-N 2.81Å
146	D	89.9	Confident	93.1	Very high	119 Å²	119	54.1 Å²	54.1	64%	0.636	29%	0.287	S	S	*	.	H	α-helix	trans	-62.3	-24.4	-170.3	-61.7	-20.2	0	0	0	114.6	L148 W149 S150	D146-L148 PolarHBondContact O-N 2.89Å; D146-W149 PolarHBondContact O-N 3.4Å; D146-S150 WeakPolarHBondContact O-CB 3.38Å; D146-S150 PolarHBondContact O-N 2.89Å; D146-S150 PolarHBondContact O-OG 3.17Å
147	Q	93	Very high	93	Very high	102 Å²	102	63.6 Å²	63.6	48%	0.477	32%	0.323	S	S	.	.	H	α-helix	trans	-63.8	-34.1	175.5	-64.1	-174.3	7.7	0	0	111.4	L102 I144 G145 A151	L102-Q147 HydrophobicContact CD1-CB 4.4Å; I144-Q147 HydrophobicContact CG2-CB 4.32Å; G145-Q147 PolarHBondContact O-N 3.02Å; G145-Q147 VanDerWaalsContact O-N 3.12Å; Q147-A151 WeakPolarHBondContact O-CB 3.4Å; Q147-A151 PolarHBondContact O-N 3.04Å
148	L	95.5	Very high	93.1	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-62	-51.8	175.1	178.1	61.4	0	0	0	110.4	I99 L102 F136 W141 I144 G145 D146 S150 A151 V152	I99-L148 HydrophobicContact CG1-CD1 4.29Å; I99-L148 HydrophobicContact CG2-CD1 4.33Å; L102-L148 HydrophobicContact CD2-CD1 4.42Å; F136-L148 HydrophobicContact CD1-CD2 4.03Å; F136-L148 HydrophobicContact CE1-CD1 4.08Å; F136-L148 HydrophobicContact CE1-CD2 4.33Å; W141-L148 HydrophobicContact CB-CD2 3.65Å; W141-L148 HydrophobicContact CD2-CD2 4.3Å; W141-L148 HydrophobicContact CE3-CD1 4.38Å; W141-L148 HydrophobicContact CE3-CD2 4.04Å; W141-L148 HydrophobicContact CG-CD2 4.17Å; I144-L148 HydrophobicContact CB-CB 4.07Å; I144-L148 HydrophobicContact CG2-CB 3.76Å; G145-L148 VanDerWaalsContact O-CB 3.24Å; G145-L148 WeakPolarHBondContact O-CB 3.25Å; G145-L148 PolarHBondContact O-N 2.81Å; D146-L148 PolarHBondContact O-N 2.89Å; L148-S150 VanDerWaalsContact C-N 3.28Å; L148-S150 PolarHBondContact O-N 2.6Å; L148-A151 PolarHBondContact O-N 3.18Å; L148-A151 VanDerWaalsContact O-N 3.13Å; L148-V152 HydrophobicContact CD1-CG2 4.08Å; L148-V152 HydrophobicContact CG-CG2 4.32Å; L148-V152 VanDerWaalsContact O-CG2 3.24Å; L148-V152 WeakPolarHBondContact O-CG2 3.43Å; L148-V152 PolarHBondContact O-N 3.09Å
149	W	95.7	Very high	93.1	Very high	26 Å²	26	66.1 Å²	66.1	10%	0.098	33%	0.328	C	S	.	.	H	α-helix	trans	-65.3	-34.7	-177.4	-50.3	141.2	0	0	0	112.1	F136 D146 V152 T153 L161 L180 L181	F136-W149 HydrophobicContact CB-CH2 3.85Å; F136-W149 HydrophobicContact CB-CZ3 4.14Å; F136-W149 HydrophobicContact CD1-CZ3 4.21Å; F136-W149 HydrophobicContact CD2-CH2 4.47Å; F136-W149 AromaticContact CD2-CZ3 3.92Å; F136-W149 HydrophobicContact CD2-CZ3 3.92Å; F136-W149 HydrophobicContact CE2-CZ3 4.34Å; F136-W149 HydrophobicContact CG-CH2 4.08Å; F136-W149 AromaticContact CG-CZ3 3.85Å; F136-W149 HydrophobicContact CG-CZ3 3.85Å; D146-W149 PolarHBondContact O-N 3.4Å; W149-V152 HydrophobicContact CE3-CG2 4.46Å; W149-V152 PolarHBondContact O-N 3.26Å; W149-T153 WeakPolarHBondContact O-CB 3.3Å; W149-T153 WeakPolarHBondContact O-CG2 3.42Å; W149-T153 PolarHBondContact O-N 3.37Å; W149-T153 PolarHBondContact O-OG1 3.07Å; W149-L161 HydrophobicContact CB-CD2 4.14Å; W149-L161 HydrophobicContact CD2-CD2 4.23Å; W149-L161 HydrophobicContact CE3-CD2 3.75Å; W149-L161 HydrophobicContact CG-CD2 4.41Å; W149-L180 VanDerWaalsContact CD1-O 3.3Å; W149-L180 HydrophobicContact CD2-CB 4.22Å; W149-L180 HydrophobicContact CD2-CD1 4.13Å; W149-L180 HydrophobicContact CE3-CD1 4.08Å; W149-L180 HydrophobicContact CG-CB 4.18Å; W149-L180 HydrophobicContact CH2-CD1 4.05Å; W149-L180 HydrophobicContact CZ2-CD1 4.06Å; W149-L180 HydrophobicContact CZ2-CD2 4.28Å; W149-L180 HydrophobicContact CZ3-CD1 4.05Å; W149-L181 HydrophobicContact CB-CB 4.08Å; W149-L181 HydrophobicContact CB-CD2 4.47Å
150	S	95	Very high	93.3	Very high	59 Å²	59	62.6 Å²	62.6	41%	0.413	30%	0.301	S	S	.	.	H	α-helix	trans	-63.4	-43.8	172.2	-60.9	0	0	0	0	112.2	D146 L148 T153 K154	D146-S150 WeakPolarHBondContact O-CB 3.38Å; D146-S150 PolarHBondContact O-N 2.89Å; D146-S150 PolarHBondContact O-OG 3.17Å; L148-S150 VanDerWaalsContact C-N 3.28Å; L148-S150 PolarHBondContact O-N 2.6Å; S150-T153 PolarHBondContact O-OG1 3.23Å; S150-T153 VanDerWaalsContact O-OG1 3.11Å; S150-K154 VanDerWaalsContact O-CB 3.25Å; S150-K154 WeakPolarHBondContact O-CB 3.45Å; S150-K154 PolarHBondContact O-N 3.31Å
151	A	95.1	Very high	93.5	Very high	15 Å²	15	61.1 Å²	61.1	12%	0.124	29%	0.294	C	S	.	.	H	α-helix	trans	-66.3	-44	176.8	0	0	0	0	0	112	T98 L102 Q147 L148 K154 E155	T98-A151 HydrophobicContact CG2-CB 4.1Å; L102-A151 HydrophobicContact CD2-CB 3.89Å; Q147-A151 WeakPolarHBondContact O-CB 3.4Å; Q147-A151 PolarHBondContact O-N 3.04Å; L148-A151 PolarHBondContact O-N 3.18Å; L148-A151 VanDerWaalsContact O-N 3.13Å; A151-K154 PolarHBondContact O-N 2.93Å; A151-E155 WeakPolarHBondContact O-CB 3.47Å; A151-E155 PolarHBondContact O-N 2.89Å
152	V	95.2	Very high	93.6	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.9	-50.6	177.4	172.7	0	0	0	0	110.6	L95 I99 L131 F136 L148 W149 K154 E155 L156 L161	L95-V152 HydrophobicContact CD1-CB 4.41Å; L95-V152 HydrophobicContact CD1-CG1 4.41Å; L95-V152 HydrophobicContact CD1-CG2 4.17Å; I99-V152 HydrophobicContact CD1-CG2 4.33Å; L131-V152 HydrophobicContact CD1-CG1 4.46Å; F136-V152 HydrophobicContact CE1-CG2 4.34Å; F136-V152 HydrophobicContact CE2-CG2 4.25Å; F136-V152 HydrophobicContact CZ-CG2 3.68Å; L148-V152 HydrophobicContact CD1-CG2 4.08Å; L148-V152 HydrophobicContact CG-CG2 4.32Å; L148-V152 VanDerWaalsContact O-CG2 3.24Å; L148-V152 WeakPolarHBondContact O-CG2 3.43Å; L148-V152 PolarHBondContact O-N 3.09Å; W149-V152 HydrophobicContact CE3-CG2 4.46Å; W149-V152 PolarHBondContact O-N 3.26Å; V152-K154 PolarHBondContact O-N 3.06Å; V152-E155 PolarHBondContact O-N 2.76Å; V152-L156 HydrophobicContact CG1-CD1 3.77Å; V152-L156 HydrophobicContact CG1-CG 4.28Å; V152-L156 WeakPolarHBondContact O-CB 3.33Å; V152-L156 VanDerWaalsContact O-CG 3.25Å; V152-L156 WeakPolarHBondContact O-CG 3.34Å; V152-L156 PolarHBondContact O-N 3.35Å; V152-L161 HydrophobicContact CB-CD2 4.27Å; V152-L161 HydrophobicContact CG1-CD1 4.21Å; V152-L161 HydrophobicContact CG1-CD2 3.9Å
153	T	94.8	Very high	93.9	Very high	9 Å²	9	56.9 Å²	56.9	6%	0.055	27%	0.269	C	S	.	.	H	α-helix	trans	-64.7	-40.2	-179.9	49.3	0	0	0	0	112.6	W149 S150 E155 L156 R157 A158 L161 L181	W149-T153 WeakPolarHBondContact O-CB 3.3Å; W149-T153 WeakPolarHBondContact O-CG2 3.42Å; W149-T153 PolarHBondContact O-N 3.37Å; W149-T153 PolarHBondContact O-OG1 3.07Å; S150-T153 PolarHBondContact O-OG1 3.23Å; S150-T153 VanDerWaalsContact O-OG1 3.11Å; T153-E155 VanDerWaalsContact C-N 3.35Å; T153-E155 PolarHBondContact O-N 2.72Å; T153-L156 CarbonylContact O-C 3.17Å; T153-L156 PolarHBondContact O-N 3.28Å; T153-R157 WeakPolarHBondContact O-CA 3.4Å; T153-R157 PolarHBondContact O-N 3.08Å; T153-A158 HydrophobicContact CG2-CB 4.44Å; T153-A158 PolarHBondContact O-N 2.92Å; T153-L161 HydrophobicContact CG2-CB 3.64Å; T153-L161 HydrophobicContact CG2-CD1 4.25Å; T153-L161 HydrophobicContact CG2-CD2 4.32Å; T153-L161 HydrophobicContact CG2-CG 4.3Å; T153-L181 HydrophobicContact CG2-CD2 3.76Å; T153-L181 WeakPolarHBondContact OG1-CD2 3.5Å
154	K	94	Very high	94.1	Very high	175 Å²	175	51.3 Å²	51.3	76%	0.761	25%	0.246	S	C	*	.	H	α-helix	trans	-58	-47.9	174.1	-177.7	179.1	-179.6	-179.3	0	111.3	S150 A151 V152 R157	S150-K154 VanDerWaalsContact O-CB 3.25Å; S150-K154 WeakPolarHBondContact O-CB 3.45Å; S150-K154 PolarHBondContact O-N 3.31Å; A151-K154 PolarHBondContact O-N 2.93Å; V152-K154 PolarHBondContact O-N 3.06Å; K154-R157 PolarHBondContact O-N 2.97Å; K154-R157 VanDerWaalsContact O-N 3.16Å
155	E	94.3	Very high	94.2	Very high	34 Å²	34	52.4 Å²	52.4	16%	0.159	26%	0.255	C	S	.	.	H	α-helix	trans	-69.1	-39.3	-178.9	-174.5	48.1	-136.5	0	0	112.2	K94 L95 A151 V152 T153 R157	K94-E155 VanDerWaalsContact CB-OE1 3.25Å; K94-E155 WeakPolarHBondContact CB-OE1 3.45Å; K94-E155 WeakPolarHBondContact CD-OE1 3.02Å; K94-E155 WeakPolarHBondContact CE-OE1 3.5Å; K94-E155 WeakPolarHBondContact CE-OE2 3.41Å; K94-E155 VanDerWaalsContact CG-CD 3.45Å; K94-E155 WeakPolarHBondContact CG-OE1 3.49Å; K94-E155 IonicContact NZ-OE1 3.78Å; K94-E155 PolarHBondContact NZ-OE1 3.17Å; K94-E155 IonicContact NZ-OE2 2.76Å; K94-E155 PolarHBondContact NZ-OE2 2.89Å; L95-E155 HydrophobicContact CB-CG 4.02Å; L95-E155 HydrophobicContact CD1-CB 4.01Å; L95-E155 HydrophobicContact CD1-CG 4.09Å; A151-E155 WeakPolarHBondContact O-CB 3.47Å; A151-E155 PolarHBondContact O-N 2.89Å; V152-E155 PolarHBondContact O-N 2.76Å; T153-E155 VanDerWaalsContact C-N 3.35Å; T153-E155 PolarHBondContact O-N 2.72Å; E155-R157 PolarHBondContact O-N 3.18Å
156	L	92.6	Very high	94.4	Very high	19 Å²	19	59.6 Å²	59.6	10%	0.099	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	1.6	174.2	-60.5	-175.1	0	0	0	112.8	L95 F122 R124 V129 L131 V152 T153 A158	L95-L156 HydrophobicContact CD2-CD2 4.48Å; F122-L156 HydrophobicContact CD1-CD1 4.25Å; F122-L156 HydrophobicContact CD1-CD2 4.22Å; F122-L156 HydrophobicContact CE1-CD1 4.36Å; F122-L156 HydrophobicContact CE1-CD2 3.6Å; F122-L156 HydrophobicContact CZ-CD2 4.03Å; R124-L156 PolarHBondContact NH1-O 3.12Å; R124-L156 PolarHBondContact NH2-O 2.88Å; V129-L156 HydrophobicContact CG1-CD1 3.92Å; L131-L156 HydrophobicContact CD2-CD1 4.23Å; V152-L156 HydrophobicContact CG1-CD1 3.77Å; V152-L156 HydrophobicContact CG1-CG 4.28Å; V152-L156 WeakPolarHBondContact O-CB 3.33Å; V152-L156 VanDerWaalsContact O-CG 3.25Å; V152-L156 WeakPolarHBondContact O-CG 3.34Å; V152-L156 PolarHBondContact O-N 3.35Å; T153-L156 CarbonylContact O-C 3.17Å; T153-L156 PolarHBondContact O-N 3.28Å; L156-A158 VanDerWaalsContact C-N 3.3Å; L156-A158 PolarHBondContact O-N 3.23Å
157	R	93.6	Very high	94.4	Very high	208 Å²	208	55.6 Å²	55.6	79%	0.785	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	50.4	-177.4	-53.7	179.2	179.3	-176.6	-2.6	112	R124 T153 K154 E155	R124-R157 PolarHBondContact NH1-O 3.07Å; T153-R157 WeakPolarHBondContact O-CA 3.4Å; T153-R157 PolarHBondContact O-N 3.08Å; K154-R157 PolarHBondContact O-N 2.97Å; K154-R157 VanDerWaalsContact O-N 3.16Å; E155-R157 PolarHBondContact O-N 3.18Å
158	A	94.6	Very high	94.2	Very high	15 Å²	15	52.8 Å²	52.8	12%	0.124	25%	0.245	C	C	.	.			trans	-124.2	164.4	177.4	0	0	0	0	0	109.2	D127 V129 T153 L156	D127-A158 WeakPolarHBondContact O-CB 3.47Å; V129-A158 HydrophobicContact CB-CB 4.28Å; V129-A158 HydrophobicContact CG2-CB 3.59Å; T153-A158 HydrophobicContact CG2-CB 4.44Å; T153-A158 PolarHBondContact O-N 2.92Å; L156-A158 VanDerWaalsContact C-N 3.3Å; L156-A158 PolarHBondContact O-N 3.23Å
159	K	95.5	Very high	93.8	Very high	159 Å²	159	63.2 Å²	63.2	69%	0.691	28%	0.284	S	S	*	.	S	Bend	trans	-108.8	-27.5	172.6	-63.7	-176.6	178.5	-177.7	0	112	D127	D127-K159 HydrophobicContact CB-CB 4.08Å; D127-K159 HydrophobicContact CB-CD 4.35Å; D127-K159 HydrophobicContact CB-CG 4.17Å; D127-K159 PolarHBondContact O-N 2.83Å
160	R	97.4	Very high	93.4	Very high	28 Å²	28	65.2 Å²	65.2	11%	0.106	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.2	-177.8	-57.3	178.4	-74.1	159.6	-2.3	110.1	D127 L128 V129 M179 L181 N184 W186	D127-R160 PolarHBondContact O-N 3.47Å; D127-R160 IonicContact OD1-CZ 3.94Å; D127-R160 IonicContact OD1-NE 3.15Å; D127-R160 PolarHBondContact OD1-NE 2.82Å; D127-R160 IonicContact OD1-NH2 2.65Å; D127-R160 PolarHBondContact OD1-NH2 3.33Å; D127-R160 IonicContact OD2-CZ 3.95Å; D127-R160 IonicContact OD2-NE 3.35Å; D127-R160 PolarHBondContact OD2-NE 3.26Å; D127-R160 VanDerWaalsContact OD2-NE 3.15Å; D127-R160 IonicContact OD2-NH2 2.69Å; L128-R160 HydrophobicContact CB-CB 4.22Å; L128-R160 HydrophobicContact CD1-CB 3.42Å; L128-R160 VanDerWaalsContact CD1-CB 3.42Å; L128-R160 HydrophobicContact CG-CB 4.42Å; V129-R160 PolarHBondContact N-O 2.78Å; V129-R160 VanDerWaalsContact N-O 3.09Å; R160-M179 HydrophobicContact CB-CE 4.43Å; R160-L181 CarbonylContact C-O 3.43Å; R160-L181 VanDerWaalsContact CA-O 3.24Å; R160-L181 WeakPolarHBondContact CA-O 3.45Å; R160-N184 PolarHBondContact NH1-O 2.69Å; R160-W186 PolarHBondContact NH1-O 3.31Å; R160-W186 PolarHBondContact NH2-O 3.26Å
161	L	96.8	Very high	92.7	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.1	-179.9	-164.4	66.2	0	0	0	110	V129 L131 W149 V152 T153 L180 L181	V129-L161 HydrophobicContact CB-CD1 3.94Å; V129-L161 HydrophobicContact CG1-CD1 3.91Å; V129-L161 WeakPolarHBondContact O-CA 3.42Å; L131-L161 HydrophobicContact CD1-CD1 3.85Å; L131-L161 HydrophobicContact CD1-CD2 4.03Å; L131-L161 HydrophobicContact CD1-CG 4.13Å; L131-L161 HydrophobicContact CD2-CD1 4.32Å; L131-L161 HydrophobicContact CG-CD1 3.81Å; L131-L161 HydrophobicContact CG-CG 4.44Å; W149-L161 HydrophobicContact CB-CD2 4.14Å; W149-L161 HydrophobicContact CD2-CD2 4.23Å; W149-L161 HydrophobicContact CE3-CD2 3.75Å; W149-L161 HydrophobicContact CG-CD2 4.41Å; V152-L161 HydrophobicContact CB-CD2 4.27Å; V152-L161 HydrophobicContact CG1-CD1 4.21Å; V152-L161 HydrophobicContact CG1-CD2 3.9Å; T153-L161 HydrophobicContact CG2-CB 3.64Å; T153-L161 HydrophobicContact CG2-CD1 4.25Å; T153-L161 HydrophobicContact CG2-CD2 4.32Å; T153-L161 HydrophobicContact CG2-CG 4.3Å; L161-L180 HydrophobicContact CB-CB 4.27Å; L161-L180 HydrophobicContact CD2-CB 4.27Å; L161-L180 HydrophobicContact CD2-CD1 4.03Å; L161-L180 HydrophobicContact CG-CB 4.32Å; L161-L180 HydrophobicContact CG-CD1 4.25Å; L161-L180 PolarHBondContact O-N 3.27Å; L161-L181 HydrophobicContact CB-CB 3.98Å; L161-L181 PolarHBondContact N-O 3.08Å; L161-L181 PolarHBondContact O-N 3.4Å
162	A	96.9	Very high	92.1	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	159.5	169	0	0	0	0	0	110.7	L128 V129 L130 L131 V177 T178 M179	L128-A162 HydrophobicContact CD1-CB 4.38Å; V129-A162 PolarHBondContact O-N 3.41Å; L130-A162 WeakPolarHBondContact CA-O 3.24Å; L130-A162 HydrophobicContact CD2-CB 3.63Å; L131-A162 PolarHBondContact N-O 2.79Å; A162-V177 HydrophobicContact CB-CG1 3.65Å; A162-T178 CarbonylContact C-O 3.55Å; A162-T178 WeakPolarHBondContact CA-O 3.45Å; A162-T178 VanDerWaalsContact CB-O 3.32Å; A162-T178 WeakPolarHBondContact CB-O 3.44Å; A162-M179 HydrophobicContact CB-SD 3.65Å
163	K	95.3	Very high	91.6	Very high	39 Å²	39	71.1 Å²	71.1	17%	0.17	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	137	166.4	-88	176.6	77.2	171.2	0	109.5	L131 D133 C135 F136 V177 T178 L180	L131-K163 HydrophobicContact CB-CG 4.01Å; L131-K163 CarbonylContact O-C 3.55Å; L131-K163 WeakPolarHBondContact O-CA 3.42Å; D133-K163 VanDerWaalsContact O-CE 3.25Å; D133-K163 WeakPolarHBondContact O-CE 3.24Å; D133-K163 PolarHBondContact O-NZ 2.85Å; C135-K163 VanDerWaalsContact O-CE 3.23Å; C135-K163 WeakPolarHBondContact O-CE 3.46Å; C135-K163 PolarHBondContact O-NZ 2.93Å; F136-K163 PolarHBondContact O-NZ 2.83Å; K163-V177 CarbonylContact O-C 3.53Å; K163-V177 VanDerWaalsContact O-CA 3.29Å; K163-V177 WeakPolarHBondContact O-CA 3.34Å; K163-T178 PolarHBondContact N-O 2.64Å; K163-T178 PolarHBondContact O-N 3.08Å; K163-L180 HydrophobicContact CB-CD1 4.33Å; K163-L180 HydrophobicContact CD-CD1 3.79Å; K163-L180 HydrophobicContact CG-CD1 3.64Å; K163-L180 HydrophobicContact CG-CG 4.35Å
164	M	94.5	Very high	91.4	Very high	35 Å²	35	72.2 Å²	72.2	17%	0.172	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.3	178.4	-178.8	176	-172.1	0	0	109.2	L130 L131 D133 I167 V176 V177	L130-M164 HydrophobicContact CD1-SD 4.29Å; L131-M164 PolarHBondContact O-N 3.26Å; D133-M164 PolarHBondContact N-O 3.37Å; M164-I167 HydrophobicContact CE-CD1 3.35Å; M164-I167 HydrophobicContact CE-CG1 4.25Å; M164-V176 WeakPolarHBondContact CA-O 3.43Å; M164-V177 HydrophobicContact CB-CG2 3.96Å; M164-V177 HydrophobicContact CG-CG2 3.77Å; M164-V177 HydrophobicContact SD-CG2 4.35Å
165	S	92.6	Very high	91.4	Very high	36 Å²	36	64.4 Å²	64.4	25%	0.252	30%	0.3	S	S	.	.			trans	-98.8	-174.2	171.9	71.3	0	0	0	0	111.2	D133 I167 V176	D133-S165 WeakPolarHBondContact OD2-CA 3.45Å; D133-S165 WeakPolarHBondContact OD2-CB 3.09Å; S165-I167 PolarHBondContact O-N 3.05Å; S165-V176 PolarHBondContact N-O 3.15Å; S165-V176 WeakPolarHBondContact OG-CB 3.2Å; S165-V176 WeakPolarHBondContact OG-CG1 3.38Å
166	R	90	Very high	91.4	Very high	173 Å²	173	65.5 Å²	65.5	65%	0.653	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-59.2	131	178.6	-170.9	178.2	-178.2	131.3	2.2	110.4	S168	R166-S168 PolarHBondContact O-N 2.61Å
167	I	89.6	Confident	91.6	Very high	36 Å²	36	65.5 Å²	65.5	19%	0.185	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-49.2	132.5	170.7	-60.5	-60.3	0	0	0	110.4	M164 S165 R173 P175 M201	M164-I167 HydrophobicContact CE-CD1 3.35Å; M164-I167 HydrophobicContact CE-CG1 4.25Å; S165-I167 PolarHBondContact O-N 3.05Å; I167-R173 VanDerWaalsContact CG2-C 3.42Å; I167-R173 HydrophobicContact CG2-CB 3.7Å; I167-R173 WeakPolarHBondContact CG2-O 3.31Å; I167-P175 HydrophobicContact CD1-CB 4.1Å; I167-M201 HydrophobicContact CD1-CG 4.25Å
168	S	89.1	Confident	91.6	Very high	43 Å²	43	59.9 Å²	59.9	30%	0.301	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-56.9	147.5	178.1	-70.5	0	0	0	0	111.3	R166 D170 S174 V176	R166-S168 PolarHBondContact O-N 2.61Å; S168-D170 WeakPolarHBondContact CB-OD1 3.45Å; S168-D170 PolarHBondContact O-N 3.28Å; S168-S174 WeakPolarHBondContact CB-O 3.32Å; S168-S174 PolarHBondContact N-O 3.13Å; S168-V176 WeakPolarHBondContact OG-CG2 3.41Å
169	R	87.3	Confident	91.7	Very high	218 Å²	218	61.5 Å²	61.5	82%	0.823	30%	0.304	S	S	*	.	S	Bend	trans	-92.2	33.7	173.2	-58.8	-172.9	-172.7	-167.4	3.3	111.4
170	D	87.5	Confident	91.7	Very high	68 Å²	68	55.8 Å²	55.8	36%	0.364	28%	0.281	S	S	.	.	S	Bend	trans	-83.2	172.8	168.6	59.6	-6.8	0	0	0	109.8	S168 F172 R173 S174	S168-D170 WeakPolarHBondContact CB-OD1 3.45Å; S168-D170 PolarHBondContact O-N 3.28Å; D170-F172 VanDerWaalsContact C-N 3.32Å; D170-F172 PolarHBondContact O-N 2.94Å; D170-R173 PolarHBondContact O-N 2.94Å; D170-R173 WeakPolarHBondContact OD1-CA 3.43Å; D170-R173 PolarHBondContact OD1-N 2.87Å; D170-S174 PolarHBondContact OD1-N 3.06Å; D170-S174 VanDerWaalsContact OD2-CB 3.23Å; D170-S174 WeakPolarHBondContact OD2-CB 3.31Å; D170-S174 PolarHBondContact OD2-OG 3.23Å
171	G	79.9	Confident	91.6	Very high	50 Å²	50	56.7 Å²	56.7	52%	0.515	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-49.1	175.9	0	0	0	0	0	111.4	R173 W251	G171-R173 PolarHBondContact O-N 2.84Å; G171-R173 VanDerWaalsContact O-N 3.11Å; G171-W251 WeakPolarHBondContact O-CZ2 3.28Å
172	F	82.1	Confident	91.5	Very high	88 Å²	88	58 Å²	58	39%	0.386	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.1	-176.8	-65.6	-16.9	0	0	0	114.9	D170 S174 W251 N252	D170-F172 VanDerWaalsContact C-N 3.32Å; D170-F172 PolarHBondContact O-N 2.94Å; F172-S174 VanDerWaalsContact C-N 3.26Å; F172-S174 PolarHBondContact O-N 3.37Å; F172-W251 AromaticContact CD1-CD1 3.67Å; F172-W251 AromaticContact CD1-CD2 3.7Å; F172-W251 HydrophobicContact CD1-CD2 3.7Å; F172-W251 AromaticContact CD1-CE2 3.54Å; F172-W251 HydrophobicContact CD1-CE3 4.41Å; F172-W251 AromaticContact CD1-CG 3.85Å; F172-W251 HydrophobicContact CD1-CG 3.85Å; F172-W251 HydrophobicContact CD1-CZ2 4.18Å; F172-W251 AromaticContact CD1-NE1 3.47Å; F172-W251 HydrophobicContact CE1-CB 4.21Å; F172-W251 AromaticContact CE1-CD1 3.88Å; F172-W251 AromaticContact CE1-CD2 3.59Å; F172-W251 HydrophobicContact CE1-CD2 3.59Å; F172-W251 AromaticContact CE1-CE2 3.96Å; F172-W251 HydrophobicContact CE1-CE3 4.06Å; F172-W251 AromaticContact CE1-CG 3.62Å; F172-W251 HydrophobicContact CE1-CG 3.62Å; F172-N252 HydrophobicContact CD1-CB 4.49Å; F172-N252 HydrophobicContact CG-CB 4.45Å
173	R	86.1	Confident	91.3	Very high	61 Å²	61	66 Å²	66	23%	0.23	34%	0.344	C	S	.	.			trans	53.7	49.9	-170.1	-54.6	-178.8	64.8	-175.9	4.3	109.8	I167 D170 G171 I296	I167-R173 VanDerWaalsContact CG2-C 3.42Å; I167-R173 HydrophobicContact CG2-CB 3.7Å; I167-R173 WeakPolarHBondContact CG2-O 3.31Å; D170-R173 PolarHBondContact O-N 2.94Å; D170-R173 WeakPolarHBondContact OD1-CA 3.43Å; D170-R173 PolarHBondContact OD1-N 2.87Å; G171-R173 PolarHBondContact O-N 2.84Å; G171-R173 VanDerWaalsContact O-N 3.11Å; R173-I296 PolarHBondContact NH1-O 3.43Å
174	S	90.5	Very high	91.3	Very high	31 Å²	31	68.4 Å²	68.4	22%	0.217	36%	0.359	C	S	.	.			trans	-59.6	132.8	-172.5	-59.9	0	0	0	0	110.6	S168 D170 F172	S168-S174 WeakPolarHBondContact CB-O 3.32Å; S168-S174 PolarHBondContact N-O 3.13Å; D170-S174 PolarHBondContact OD1-N 3.06Å; D170-S174 VanDerWaalsContact OD2-CB 3.23Å; D170-S174 WeakPolarHBondContact OD2-CB 3.31Å; D170-S174 PolarHBondContact OD2-OG 3.23Å; F172-S174 VanDerWaalsContact C-N 3.26Å; F172-S174 PolarHBondContact O-N 3.37Å
175	P	93.2	Very high	91.4	Very high	12 Å²	12	67.5 Å²	67.5	8%	0.078	36%	0.356	C	S	.	.			trans	-66.8	145.9	171.6	31.4	-36	0	0	0	109.9	I167 V177 V197	I167-P175 HydrophobicContact CD1-CB 4.1Å; P175-V177 HydrophobicContact CB-CG2 4.2Å; P175-V197 WeakPolarHBondContact CB-O 3.35Å; P175-V197 WeakPolarHBondContact CG-O 3.33Å
176	V	94.3	Very high	91.6	Very high	56 Å²	56	69.9 Å²	69.9	34%	0.339	36%	0.36	S	S	.	.			trans	-114.9	93.9	173.4	-178	0	0	0	0	106.7	M164 S165 S168	M164-V176 WeakPolarHBondContact CA-O 3.43Å; S165-V176 PolarHBondContact N-O 3.15Å; S165-V176 WeakPolarHBondContact OG-CB 3.2Å; S165-V176 WeakPolarHBondContact OG-CG1 3.38Å; S168-V176 WeakPolarHBondContact OG-CG2 3.41Å
177	V	96.1	Very high	91.8	Very high	20 Å²	20	61.9 Å²	61.9	12%	0.121	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.5	-174	178.4	0	0	0	0	110	L130 A162 K163 M164 P175 V197 T198	L130-V177 HydrophobicContact CD2-CG1 4.22Å; A162-V177 HydrophobicContact CB-CG1 3.65Å; K163-V177 CarbonylContact O-C 3.53Å; K163-V177 VanDerWaalsContact O-CA 3.29Å; K163-V177 WeakPolarHBondContact O-CA 3.34Å; M164-V177 HydrophobicContact CB-CG2 3.96Å; M164-V177 HydrophobicContact CG-CG2 3.77Å; M164-V177 HydrophobicContact SD-CG2 4.35Å; P175-V177 HydrophobicContact CB-CG2 4.2Å; V177-V197 HydrophobicContact CG1-CG2 4.07Å; V177-V197 WeakPolarHBondContact CG2-O 3.3Å; V177-T198 HydrophobicContact CB-CG2 4.02Å; V177-T198 HydrophobicContact CG1-CG2 4.01Å
178	T	95.3	Very high	91.9	Very high	89 Å²	89	65.3 Å²	65.3	55%	0.546	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	119	175.9	-54.7	0	0	0	0	109.2	A162 K163 L180	A162-T178 CarbonylContact C-O 3.55Å; A162-T178 WeakPolarHBondContact CA-O 3.45Å; A162-T178 VanDerWaalsContact CB-O 3.32Å; A162-T178 WeakPolarHBondContact CB-O 3.44Å; K163-T178 PolarHBondContact N-O 2.64Å; K163-T178 PolarHBondContact O-N 3.08Å; T178-L180 PolarHBondContact O-N 2.81Å
179	M	96.6	Very high	91.7	Very high	50 Å²	50	65.1 Å²	65.1	25%	0.246	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	126.6	172.6	-62.5	-59	-64.3	0	0	109.6	L128 R160 A162 G182	L128-M179 HydrophobicContact CD1-CE 3.8Å; L128-M179 HydrophobicContact CD1-SD 4.41Å; R160-M179 HydrophobicContact CB-CE 4.43Å; A162-M179 HydrophobicContact CB-SD 3.65Å; M179-G182 VanDerWaalsContact CE-O 3.24Å; M179-G182 WeakPolarHBondContact CE-O 3.31Å
180	L	94.9	Very high	91	Very high	38 Å²	38	59.7 Å²	59.7	20%	0.199	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-31.5	176.9	-64	-177.7	0	0	0	112.1	W149 L161 K163 T178	W149-L180 VanDerWaalsContact CD1-O 3.3Å; W149-L180 HydrophobicContact CD2-CB 4.22Å; W149-L180 HydrophobicContact CD2-CD1 4.13Å; W149-L180 HydrophobicContact CE3-CD1 4.08Å; W149-L180 HydrophobicContact CG-CB 4.18Å; W149-L180 HydrophobicContact CH2-CD1 4.05Å; W149-L180 HydrophobicContact CZ2-CD1 4.06Å; W149-L180 HydrophobicContact CZ2-CD2 4.28Å; W149-L180 HydrophobicContact CZ3-CD1 4.05Å; L161-L180 HydrophobicContact CB-CB 4.27Å; L161-L180 HydrophobicContact CD2-CB 4.27Å; L161-L180 HydrophobicContact CD2-CD1 4.03Å; L161-L180 HydrophobicContact CG-CB 4.32Å; L161-L180 HydrophobicContact CG-CD1 4.25Å; L161-L180 PolarHBondContact O-N 3.27Å; K163-L180 HydrophobicContact CB-CD1 4.33Å; K163-L180 HydrophobicContact CD-CD1 3.79Å; K163-L180 HydrophobicContact CG-CD1 3.64Å; K163-L180 HydrophobicContact CG-CG 4.35Å; T178-L180 PolarHBondContact O-N 2.81Å
181	L	95.1	Very high	90.5	Very high	47 Å²	47	60.9 Å²	60.9	25%	0.246	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	126.5	175.6	-172.1	68.7	0	0	0	110.2	W149 T153 R160 L161	W149-L181 HydrophobicContact CB-CB 4.08Å; W149-L181 HydrophobicContact CB-CD2 4.47Å; T153-L181 HydrophobicContact CG2-CD2 3.76Å; T153-L181 WeakPolarHBondContact OG1-CD2 3.5Å; R160-L181 CarbonylContact C-O 3.43Å; R160-L181 VanDerWaalsContact CA-O 3.24Å; R160-L181 WeakPolarHBondContact CA-O 3.45Å; L161-L181 HydrophobicContact CB-CB 3.98Å; L161-L181 PolarHBondContact N-O 3.08Å; L161-L181 PolarHBondContact O-N 3.4Å
182	G	94.4	Very high	90.5	Very high	28 Å²	28	61.7 Å²	61.7	29%	0.289	33%	0.328	S	S	.	.			trans	86.4	149.8	-176.9	0	0	0	0	0	113.4	M179	M179-G182 VanDerWaalsContact CE-O 3.24Å; M179-G182 WeakPolarHBondContact CE-O 3.31Å
183	D	92.5	Very high	90.9	Very high	167 Å²	167	57.7 Å²	57.7	89%	0.893	31%	0.31	S	S	*	.	S	Bend	trans	-105	-9.5	-162	-44.6	-20.2	0	0	0	113
184	N	95.8	Very high	91.4	Very high	90 Å²	90	56.2 Å²	56.2	48%	0.481	31%	0.306	S	S	.	.			trans	-100.2	122.1	180	-174.3	1.7	0	0	0	110.2	R160 W186	R160-N184 PolarHBondContact NH1-O 2.69Å; N184-W186 WeakPolarHBondContact OD1-CB 3.37Å; N184-W186 PolarHBondContact OD1-N 2.96Å
185	S	96.1	Very high	91.7	Very high	17 Å²	17	54.9 Å²	54.9	12%	0.119	30%	0.296	C	S	.	.			trans	-92.8	-10.1	177.8	50.2	0	0	0	0	113.8	D196 V197	S185-D196 WeakPolarHBondContact CB-OD1 3.28Å; S185-D196 PolarHBondContact OG-OD1 3.35Å; S185-D196 PolarHBondContact OG-OD2 3.32Å; S185-V197 WeakPolarHBondContact O-CG2 3.33Å; S185-V197 PolarHBondContact O-N 2.77Å
186	W	96.8	Very high	91.8	Very high	85 Å²	85	54.9 Å²	54.9	32%	0.322	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	136.3	178.1	-82	73	0	0	0	111.6	R160 N184 F195 D196 A258 K261	R160-W186 PolarHBondContact NH1-O 3.31Å; R160-W186 PolarHBondContact NH2-O 3.26Å; N184-W186 WeakPolarHBondContact OD1-CB 3.37Å; N184-W186 PolarHBondContact OD1-N 2.96Å; W186-F195 WeakPolarHBondContact CA-O 3.33Å; W186-D196 HydrophobicContact CD2-CB 4.34Å; W186-D196 HydrophobicContact CG-CB 4.42Å; W186-D196 HydrophobicContact CZ2-CB 4.39Å; W186-A258 HydrophobicContact CH2-CB 4.42Å; W186-K261 HydrophobicContact CZ3-CD 3.91Å
187	V	94.8	Very high	91.9	Very high	5 Å²	5	52.5 Å²	52.5	3%	0.03	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	152.4	179.9	-61.3	0	0	0	0	111.4	H125 L128 E194 F195 V197	H125-V187 HydrophobicContact CB-CB 3.58Å; H125-V187 HydrophobicContact CB-CG1 3.69Å; H125-V187 HydrophobicContact CB-CG2 3.8Å; L128-V187 HydrophobicContact CB-CG1 3.95Å; L128-V187 HydrophobicContact CD2-CG1 3.4Å; L128-V187 HydrophobicContact CG-CG1 4.28Å; V187-E194 VanDerWaalsContact O-CA 3.24Å; V187-E194 WeakPolarHBondContact O-CA 3.35Å; V187-F195 HydrophobicContact CG2-CD1 4.16Å; V187-F195 HydrophobicContact CG2-CD2 4.4Å; V187-F195 HydrophobicContact CG2-CE1 3.89Å; V187-F195 HydrophobicContact CG2-CE2 4.15Å; V187-F195 HydrophobicContact CG2-CG 4.41Å; V187-F195 HydrophobicContact CG2-CZ 3.89Å; V187-F195 PolarHBondContact N-O 3.39Å; V187-F195 PolarHBondContact O-N 3.11Å; V187-V197 HydrophobicContact CB-CG1 4.29Å; V187-V197 HydrophobicContact CG1-CG1 3.72Å; V187-V197 HydrophobicContact CG2-CG1 3.56Å
188	K	91.2	Very high	91.9	Very high	108 Å²	108	53.6 Å²	53.6	47%	0.47	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	117.3	160.2	-173.9	170.4	-173	163.7	0	108.1	N192 E194	K188-N192 WeakPolarHBondContact CE-OD1 3.35Å; K188-E194 HydrophobicContact CB-CG 4.06Å; K188-E194 HydrophobicContact CD-CG 4.41Å; K188-E194 HydrophobicContact CG-CG 3.95Å; K188-E194 IonicContact NZ-OE1 3.95Å
189	H	85.3	Confident	92	Very high	40 Å²	40	55.2 Å²	55.2	19%	0.185	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	163.8	174.5	-167.5	69.6	0	0	0	110.6	H125 N192 Y193 F195 F202	H125-H189 AromaticContact CE1-CE1 3.87Å; H125-H189 AromaticContact CE1-ND1 3.28Å; H125-H189 PolarHBondContact CE1-ND1 3.07Å; H125-H189 VanDerWaalsContact CE1-ND1 3.28Å; H125-H189 AromaticContact CG-ND1 3.91Å; H125-H189 AromaticContact ND1-CE1 3.91Å; H125-H189 AromaticContact ND1-CG 3.6Å; H125-H189 AromaticContact ND1-ND1 2.94Å; H125-H189 PolarHBondContact ND1-ND1 3.25Å; H189-N192 PolarHBondContact O-N 3.4Å; H189-Y193 PolarHBondContact N-O 3.44Å; H189-F195 HydrophobicContact CB-CE1 4.12Å; H189-F202 AromaticContact CD2-CE1 3.87Å; H189-F202 AromaticContact CD2-CZ 3.34Å; H189-F202 WeakPolarHBondContact CD2-CZ 3.42Å; H189-F202 AromaticContact CE1-CE1 3.78Å; H189-F202 AromaticContact CG-CZ 3.97Å; H189-F202 AromaticContact NE2-CE1 3.59Å; H189-F202 AromaticContact NE2-CZ 3.41Å; H189-F202 WeakPolarHBondContact NE2-CZ 3.45Å
190	V	73.4	Confident	91.9	Very high	104 Å²	104	53 Å²	53	63%	0.63	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	144.3	169.5	-175.8	0	0	0	0	108.4
191	D	75.9	Confident	91.7	Very high	93 Å²	93	53.5 Å²	53.5	50%	0.497	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	29.2	-174.4	-45.7	-34.8	0	0	0	115.8	Y193 K210	D191-Y193 HydrophobicContact CB-CD2 4.05Å; D191-Y193 HydrophobicContact CB-CE2 3.76Å; D191-Y193 VanDerWaalsContact O-CD2 3.31Å; D191-Y193 WeakPolarHBondContact O-CD2 3.26Å; D191-Y193 VanDerWaalsContact O-CE2 3.31Å; D191-Y193 WeakPolarHBondContact O-CE2 3.19Å; D191-Y193 PolarHBondContact O-N 3.24Å; D191-K210 IonicContact OD2-NZ 3.75Å; D191-K210 PolarHBondContact OD2-NZ 2.88Å
192	N	81.3	Confident	91.3	Very high	66 Å²	66	52.6 Å²	52.6	35%	0.353	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.8	35.8	171.1	-63.6	-35.6	0	0	0	115.5	K188 H189 V265 N266	K188-N192 WeakPolarHBondContact CE-OD1 3.35Å; H189-N192 PolarHBondContact O-N 3.4Å; N192-V265 HydrophobicContact CB-CG1 4.08Å; N192-N266 WeakPolarHBondContact CB-OD1 3.42Å; N192-N266 PolarHBondContact O-ND2 3.46Å
193	Y	90.5	Very high	90.6	Very high	5 Å²	5	52.8 Å²	52.8	2%	0.02	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	123.9	166.9	-63.4	-88	0	0	0	110.2	H189 D191 I230 Y232 L235 P236	H189-Y193 PolarHBondContact N-O 3.44Å; D191-Y193 HydrophobicContact CB-CD2 4.05Å; D191-Y193 HydrophobicContact CB-CE2 3.76Å; D191-Y193 VanDerWaalsContact O-CD2 3.31Å; D191-Y193 WeakPolarHBondContact O-CD2 3.26Å; D191-Y193 VanDerWaalsContact O-CE2 3.31Å; D191-Y193 WeakPolarHBondContact O-CE2 3.19Å; D191-Y193 PolarHBondContact O-N 3.24Å; Y193-I230 HydrophobicContact CD1-CD1 3.96Å; Y193-I230 HydrophobicContact CD1-CG1 4.13Å; Y193-I230 HydrophobicContact CG-CD1 4.3Å; Y193-Y232 PolarHBondContact OH-O 3.42Å; Y193-L235 HydrophobicContact CD1-CD1 3.82Å; Y193-L235 HydrophobicContact CE1-CB 4.4Å; Y193-L235 HydrophobicContact CE1-CD1 3.35Å; Y193-L235 HydrophobicContact CE1-CG 4.25Å; Y193-P236 WeakPolarHBondContact OH-CD 3.46Å
194	E	95.4	Very high	89.6	Confident	30 Å²	30	46.8 Å²	46.8	14%	0.14	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	129.6	172.3	-61.6	-169	-163.1	0	0	109.9	V187 K188 K261 N262	V187-E194 VanDerWaalsContact O-CA 3.24Å; V187-E194 WeakPolarHBondContact O-CA 3.35Å; K188-E194 HydrophobicContact CB-CG 4.06Å; K188-E194 HydrophobicContact CD-CG 4.41Å; K188-E194 HydrophobicContact CG-CG 3.95Å; K188-E194 IonicContact NZ-OE1 3.95Å; E194-K261 HydrophobicContact CB-CD 4.12Å; E194-K261 WeakPolarHBondContact OE2-CE 3.38Å; E194-K261 IonicContact OE2-NZ 3.85Å; E194-K261 PolarHBondContact OE2-NZ 3.29Å; E194-N262 WeakPolarHBondContact CA-OD1 3.48Å; E194-N262 PolarHBondContact N-OD1 3.33Å; E194-N262 PolarHBondContact O-ND2 3.44Å; E194-N262 PolarHBondContact O-OD1 3.34Å
195	F	96.4	Very high	88.7	Confident	3 Å²	3	44.4 Å²	44.4	1%	0.013	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	163.8	-178.7	63.2	-81.8	0	0	0	111.7	H125 W186 V187 H189 V197 C200 F202 I230 A258	H125-F195 AromaticContact CE1-CZ 3.72Å; H125-F195 AromaticContact ND1-CZ 3.91Å; W186-F195 WeakPolarHBondContact CA-O 3.33Å; V187-F195 HydrophobicContact CG2-CD1 4.16Å; V187-F195 HydrophobicContact CG2-CD2 4.4Å; V187-F195 HydrophobicContact CG2-CE1 3.89Å; V187-F195 HydrophobicContact CG2-CE2 4.15Å; V187-F195 HydrophobicContact CG2-CG 4.41Å; V187-F195 HydrophobicContact CG2-CZ 3.89Å; V187-F195 PolarHBondContact N-O 3.39Å; V187-F195 PolarHBondContact O-N 3.11Å; H189-F195 HydrophobicContact CB-CE1 4.12Å; F195-V197 HydrophobicContact CD2-CG1 4.38Å; F195-V197 HydrophobicContact CE2-CB 4.5Å; F195-V197 HydrophobicContact CE2-CG1 3.84Å; F195-V197 HydrophobicContact CZ-CG1 4.46Å; F195-C200 HydrophobicContact CB-CB 4.12Å; F195-C200 HydrophobicContact CD2-CB 4.03Å; F195-C200 HydrophobicContact CG-CB 4.49Å; F195-F202 HydrophobicContact CE1-CB 4.3Å; F195-F202 AromaticContact CE1-CD2 3.97Å; F195-F202 HydrophobicContact CE1-CD2 3.97Å; F195-F202 HydrophobicContact CE1-CE2 4.47Å; F195-F202 HydrophobicContact CE1-CG 4.07Å; F195-F202 HydrophobicContact CE2-CB 3.67Å; F195-F202 HydrophobicContact CE2-CG 4.28Å; F195-F202 HydrophobicContact CZ-CB 3.49Å; F195-F202 VanDerWaalsContact CZ-CB 3.49Å; F195-F202 HydrophobicContact CZ-CD1 4.09Å; F195-F202 AromaticContact CZ-CD2 3.96Å; F195-F202 HydrophobicContact CZ-CD2 3.96Å; F195-F202 AromaticContact CZ-CG 3.58Å; F195-F202 HydrophobicContact CZ-CG 3.58Å; F195-I230 HydrophobicContact CB-CB 4.42Å; F195-I230 HydrophobicContact CB-CD1 4.14Å; F195-I230 HydrophobicContact CB-CG2 3.79Å; F195-I230 HydrophobicContact CD1-CD1 3.35Å; F195-I230 HydrophobicContact CE1-CD1 3.78Å; F195-I230 HydrophobicContact CG-CD1 3.78Å; F195-I230 HydrophobicContact CG-CG2 4.32Å; F195-A258 HydrophobicContact CB-CB 3.96Å
196	D	96.9	Very high	88.1	Confident	11 Å²	11	44.1 Å²	44.1	6%	0.059	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	115.6	171	-170.2	-31.8	0	0	0	110.3	S185 W186 T198 R199 C200	S185-D196 WeakPolarHBondContact CB-OD1 3.28Å; S185-D196 PolarHBondContact OG-OD1 3.35Å; S185-D196 PolarHBondContact OG-OD2 3.32Å; W186-D196 HydrophobicContact CD2-CB 4.34Å; W186-D196 HydrophobicContact CG-CB 4.42Å; W186-D196 HydrophobicContact CZ2-CB 4.39Å; D196-T198 PolarHBondContact O-N 3.41Å; D196-T198 WeakPolarHBondContact OD1-CB 3.07Å; D196-T198 PolarHBondContact OD1-N 3.36Å; D196-T198 PolarHBondContact OD1-OG1 3.49Å; D196-R199 HydrophobicContact CB-CB 4.14Å; D196-R199 HydrophobicContact CB-CG 4.19Å; D196-R199 PolarHBondContact O-N 3.41Å; D196-R199 VanDerWaalsContact O-N 3.16Å; D196-R199 WeakPolarHBondContact OD2-CD 3.34Å; D196-C200 WeakPolarHBondContact O-CB 3.31Å; D196-C200 PolarHBondContact O-N 3Å
197	V	95.9	Very high	87.6	Confident	6 Å²	6	44.9 Å²	44.9	4%	0.036	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.6	-178.9	-57.4	0	0	0	0	113.4	L128 L130 P175 V177 S185 V187 F195	L128-V197 HydrophobicContact CD2-CG1 4.1Å; L128-V197 HydrophobicContact CD2-CG2 3.78Å; L130-V197 HydrophobicContact CD1-CB 4.47Å; L130-V197 HydrophobicContact CD1-CG1 4.4Å; L130-V197 HydrophobicContact CD2-CG2 4.22Å; P175-V197 WeakPolarHBondContact CB-O 3.35Å; P175-V197 WeakPolarHBondContact CG-O 3.33Å; V177-V197 HydrophobicContact CG1-CG2 4.07Å; V177-V197 WeakPolarHBondContact CG2-O 3.3Å; S185-V197 WeakPolarHBondContact O-CG2 3.33Å; S185-V197 PolarHBondContact O-N 2.77Å; V187-V197 HydrophobicContact CB-CG1 4.29Å; V187-V197 HydrophobicContact CG1-CG1 3.72Å; V187-V197 HydrophobicContact CG2-CG1 3.56Å; F195-V197 HydrophobicContact CD2-CG1 4.38Å; F195-V197 HydrophobicContact CE2-CB 4.5Å; F195-V197 HydrophobicContact CE2-CG1 3.84Å; F195-V197 HydrophobicContact CZ-CG1 4.46Å
198	T	96.1	Very high	87.4	Confident	43 Å²	43	48.5 Å²	48.5	26%	0.264	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-9.8	179.8	67.1	0	0	0	0	113	V177 D196	V177-T198 HydrophobicContact CB-CG2 4.02Å; V177-T198 HydrophobicContact CG1-CG2 4.01Å; D196-T198 PolarHBondContact O-N 3.41Å; D196-T198 WeakPolarHBondContact OD1-CB 3.07Å; D196-T198 PolarHBondContact OD1-N 3.36Å; D196-T198 PolarHBondContact OD1-OG1 3.49Å
199	R	96.3	Very high	87.6	Confident	123 Å²	123	43.3 Å²	43.3	46%	0.464	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128	-24.1	-172.9	-49.2	-175.6	70.9	157.5	-11	113.4	D196 N252 D254	D196-R199 HydrophobicContact CB-CB 4.14Å; D196-R199 HydrophobicContact CB-CG 4.19Å; D196-R199 PolarHBondContact O-N 3.41Å; D196-R199 VanDerWaalsContact O-N 3.16Å; D196-R199 WeakPolarHBondContact OD2-CD 3.34Å; R199-N252 PolarHBondContact O-ND2 3.21Å; R199-D254 HydrophobicContact CB-CB 3.7Å; R199-D254 VanDerWaalsContact CZ-CG 3.45Å; R199-D254 IonicContact CZ-OD1 3.5Å; R199-D254 IonicContact CZ-OD2 2.72Å; R199-D254 IonicContact NE-OD1 3.72Å; R199-D254 PolarHBondContact NE-OD1 2.95Å; R199-D254 IonicContact NE-OD2 3.91Å; R199-D254 PolarHBondContact NE-OD2 2.88Å; R199-D254 IonicContact NH1-OD1 3.77Å; R199-D254 VanDerWaalsContact NH2-CG 3.28Å; R199-D254 IonicContact NH2-OD1 2.69Å; R199-D254 PolarHBondContact NH2-OD1 3.48Å; R199-D254 IonicContact NH2-OD2 2.74Å; R199-D254 PolarHBondContact NH2-OD2 2.95Å
200	C	95.3	Very high	88	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.02	24%	0.238	C	C	.	.	S	Bend	trans	-116.5	132.9	-177.5	-58.3	0	0	0	0	111.9	F195 D196 I230 D254	F195-C200 HydrophobicContact CB-CB 4.12Å; F195-C200 HydrophobicContact CD2-CB 4.03Å; F195-C200 HydrophobicContact CG-CB 4.49Å; D196-C200 WeakPolarHBondContact O-CB 3.31Å; D196-C200 PolarHBondContact O-N 3Å; C200-I230 HydrophobicContact CB-CG2 3.69Å; C200-D254 PolarHBondContact SG-O 2.94Å
201	M	90.6	Very high	89	Confident	50 Å²	50	42.9 Å²	42.9	25%	0.246	24%	0.236	C	C	.	.			trans	-75	136.4	172.4	-171.2	-82.9	-163.2	0	0	110.4	I167	I167-M201 HydrophobicContact CD1-CG 4.25Å
202	F	87.6	Confident	90	Very high	27 Å²	27	40.6 Å²	40.6	12%	0.118	22%	0.221	C	C	.	.			trans	-131.9	123.7	173.5	-179.5	-104.4	0	0	0	110.7	H125 H189 F195 A204 I230 Y232	H125-F202 AromaticContact CE1-CD1 3.83Å; H189-F202 AromaticContact CD2-CE1 3.87Å; H189-F202 AromaticContact CD2-CZ 3.34Å; H189-F202 WeakPolarHBondContact CD2-CZ 3.42Å; H189-F202 AromaticContact CE1-CE1 3.78Å; H189-F202 AromaticContact CG-CZ 3.97Å; H189-F202 AromaticContact NE2-CE1 3.59Å; H189-F202 AromaticContact NE2-CZ 3.41Å; H189-F202 WeakPolarHBondContact NE2-CZ 3.45Å; F195-F202 HydrophobicContact CE1-CB 4.3Å; F195-F202 AromaticContact CE1-CD2 3.97Å; F195-F202 HydrophobicContact CE1-CD2 3.97Å; F195-F202 HydrophobicContact CE1-CE2 4.47Å; F195-F202 HydrophobicContact CE1-CG 4.07Å; F195-F202 HydrophobicContact CE2-CB 3.67Å; F195-F202 HydrophobicContact CE2-CG 4.28Å; F195-F202 HydrophobicContact CZ-CB 3.49Å; F195-F202 VanDerWaalsContact CZ-CB 3.49Å; F195-F202 HydrophobicContact CZ-CD1 4.09Å; F195-F202 AromaticContact CZ-CD2 3.96Å; F195-F202 HydrophobicContact CZ-CD2 3.96Å; F195-F202 AromaticContact CZ-CG 3.58Å; F195-F202 HydrophobicContact CZ-CG 3.58Å; F202-A204 HydrophobicContact CD1-CB 4.28Å; F202-A204 HydrophobicContact CE1-CB 3.79Å; F202-I230 HydrophobicContact CD2-CD1 3.7Å; F202-I230 HydrophobicContact CE2-CD1 4.27Å; F202-Y232 HydrophobicContact CD2-CD2 4.3Å; F202-Y232 AromaticContact CE2-CD2 3.79Å; F202-Y232 HydrophobicContact CE2-CD2 3.79Å; F202-Y232 AromaticContact CE2-CE2 3.87Å; F202-Y232 HydrophobicContact CE2-CE2 3.87Å; F202-Y232 HydrophobicContact CZ-CE2 4.18Å
203	S	77.7	Confident	90.8	Very high	33 Å²	33	37.4 Å²	37.4	23%	0.231	20%	0.204	C	C	.	.			trans	-105.1	89.2	178.8	-157.4	0	0	0	0	111.6	G205 Y232	S203-G205 PolarHBondContact O-N 3.36Å; S203-Y232 PolarHBondContact O-OH 3.39Å
204	A	73.4	Confident	91	Very high	40 Å²	40	38.2 Å²	38.2	33%	0.331	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-60.7	-18.3	176.7	0	0	0	0	0	113.7	F202 N206 I207	F202-A204 HydrophobicContact CD1-CB 4.28Å; F202-A204 HydrophobicContact CE1-CB 3.79Å; A204-N206 VanDerWaalsContact C-N 3.29Å; A204-N206 PolarHBondContact O-N 3.39Å; A204-I207 WeakPolarHBondContact O-CD1 3.27Å; A204-I207 VanDerWaalsContact O-CG1 3.28Å; A204-I207 WeakPolarHBondContact O-CG1 3.43Å
205	G	75.2	Confident	91.1	Very high	40 Å²	40	39.8 Å²	39.8	41%	0.412	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-80.4	2.1	-172.7	0	0	0	0	0	115.6	S203 K385	S203-G205 PolarHBondContact O-N 3.36Å; G205-K385 VanDerWaalsContact C-NZ 3.31Å; G205-K385 WeakPolarHBondContact O-CD 3.43Å; G205-K385 PolarHBondContact O-NZ 3.3Å; G205-K385 VanDerWaalsContact O-NZ 3.14Å
206	N	83.4	Confident	91.2	Very high	12 Å²	12	41.7 Å²	41.7	6%	0.064	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-106.8	22.9	-175.6	-67.5	0.7	0	0	0	112.9	A204 T208 E209 K210 Y232 F233 K385	A204-N206 VanDerWaalsContact C-N 3.29Å; A204-N206 PolarHBondContact O-N 3.39Å; N206-T208 VanDerWaalsContact C-N 3.31Å; N206-T208 PolarHBondContact O-N 3.18Å; N206-E209 PolarHBondContact O-N 3.25Å; N206-K210 PolarHBondContact O-N 3.42Å; N206-Y232 HydrophobicContact CB-CE1 3.85Å; N206-Y232 PolarHBondContact O-OH 3Å; N206-F233 HydrophobicContact CB-CZ 4.46Å; N206-K385 WeakPolarHBondContact OD1-CE 3.06Å; N206-K385 PolarHBondContact OD1-NZ 3.37Å
207	I	87.4	Confident	91.3	Very high	100 Å²	100	45.3 Å²	45.3	51%	0.513	26%	0.263	S	S	.	.	H	α-helix	trans	-59.4	-40.3	-174	-66.8	162.3	0	0	0	112.1	A204 E209 K210 L211 Y232	A204-I207 WeakPolarHBondContact O-CD1 3.27Å; A204-I207 VanDerWaalsContact O-CG1 3.28Å; A204-I207 WeakPolarHBondContact O-CG1 3.43Å; I207-E209 VanDerWaalsContact C-N 3.33Å; I207-E209 PolarHBondContact O-N 3Å; I207-K210 PolarHBondContact O-N 3.46Å; I207-L211 HydrophobicContact CG2-CD1 4.09Å; I207-L211 HydrophobicContact CG2-CG 4.35Å; I207-L211 WeakPolarHBondContact O-CG 3.45Å; I207-L211 PolarHBondContact O-N 3.28Å; I207-Y232 PolarHBondContact N-OH 2.88Å
208	T	90.9	Very high	91.4	Very high	81 Å²	81	45 Å²	45	50%	0.497	26%	0.262	S	S	.	.	H	α-helix	trans	-59.8	-45.3	178.5	46.5	0	0	0	0	111.4	N206 L211 R212 V384	N206-T208 VanDerWaalsContact C-N 3.31Å; N206-T208 PolarHBondContact O-N 3.18Å; T208-L211 PolarHBondContact O-N 3.29Å; T208-R212 PolarHBondContact O-N 2.89Å; T208-V384 PolarHBondContact OG1-O 2.9Å
209	E	95.8	Very high	91.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-68.9	-40.1	177.4	-176.8	56.9	-167.7	0	0	112.3	N206 I207 L211 R212 V213 F233 V384 V395	N206-E209 PolarHBondContact O-N 3.25Å; I207-E209 VanDerWaalsContact C-N 3.33Å; I207-E209 PolarHBondContact O-N 3Å; E209-L211 VanDerWaalsContact C-N 3.27Å; E209-L211 PolarHBondContact O-N 3.13Å; E209-R212 VanDerWaalsContact CD-NE 3.33Å; E209-R212 WeakPolarHBondContact O-CB 3.45Å; E209-R212 PolarHBondContact O-N 3.42Å; E209-R212 VanDerWaalsContact O-N 3.1Å; E209-R212 IonicContact OE1-CZ 3.02Å; E209-R212 IonicContact OE1-NE 3.21Å; E209-R212 PolarHBondContact OE1-NE 3.33Å; E209-R212 IonicContact OE1-NH2 3.01Å; E209-R212 PolarHBondContact OE1-NH2 2.98Å; E209-R212 IonicContact OE2-CZ 3.2Å; E209-R212 IonicContact OE2-NE 2.95Å; E209-R212 PolarHBondContact OE2-NE 2.78Å; E209-R212 IonicContact OE2-NH2 3.02Å; E209-V213 WeakPolarHBondContact O-CG2 3.41Å; E209-V213 PolarHBondContact O-N 2.63Å; E209-F233 HydrophobicContact CB-CE1 4.38Å; E209-F233 HydrophobicContact CG-CE1 3.84Å; E209-F233 HydrophobicContact CG-CZ 4.01Å; E209-V384 HydrophobicContact CB-CG1 3.89Å; E209-V384 HydrophobicContact CB-CG2 3.95Å; E209-V384 HydrophobicContact CG-CG2 4.2Å; E209-V395 HydrophobicContact CG-CG2 4.24Å
210	K	92.8	Very high	91.6	Very high	19 Å²	19	46.4 Å²	46.4	8%	0.083	28%	0.28	C	S	.	.	H	α-helix	trans	-57.3	-42.2	174	-175	-175.4	146	-175.7	0	111.7	D191 N206 I207 A214 Y232 F233 P236	D191-K210 IonicContact OD2-NZ 3.75Å; D191-K210 PolarHBondContact OD2-NZ 2.88Å; N206-K210 PolarHBondContact O-N 3.42Å; I207-K210 PolarHBondContact O-N 3.46Å; K210-A214 WeakPolarHBondContact O-CB 3.46Å; K210-A214 PolarHBondContact O-N 2.83Å; K210-Y232 HydrophobicContact CB-CE1 3.84Å; K210-Y232 HydrophobicContact CD-CE1 4.08Å; K210-Y232 HydrophobicContact CD-CE2 4.19Å; K210-Y232 HydrophobicContact CG-CE1 4.18Å; K210-F233 HydrophobicContact CB-CE1 4.46Å; K210-P236 HydrophobicContact CD-CG 4.43Å; K210-P236 HydrophobicContact CG-CG 3.69Å
211	L	94	Very high	91.7	Very high	115 Å²	115	48 Å²	48	60%	0.602	29%	0.287	S	S	*	.	H	α-helix	trans	-68.5	-36.4	175.7	-69.8	174	0	0	0	112.1	I207 T208 E209 A214 G215	I207-L211 HydrophobicContact CG2-CD1 4.09Å; I207-L211 HydrophobicContact CG2-CG 4.35Å; I207-L211 WeakPolarHBondContact O-CG 3.45Å; I207-L211 PolarHBondContact O-N 3.28Å; T208-L211 PolarHBondContact O-N 3.29Å; E209-L211 VanDerWaalsContact C-N 3.27Å; E209-L211 PolarHBondContact O-N 3.13Å; L211-A214 PolarHBondContact O-N 2.88Å; L211-G215 PolarHBondContact O-N 3.09Å; L211-G215 VanDerWaalsContact O-N 3.1Å
212	R	97.3	Very high	92.1	Very high	45 Å²	45	46.9 Å²	46.9	17%	0.17	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-49.5	174.8	-167.2	-176.4	76.3	94.3	-4.7	111.3	T208 E209 A214 G215 F216 D397	T208-R212 PolarHBondContact O-N 2.89Å; E209-R212 VanDerWaalsContact CD-NE 3.33Å; E209-R212 WeakPolarHBondContact O-CB 3.45Å; E209-R212 PolarHBondContact O-N 3.42Å; E209-R212 VanDerWaalsContact O-N 3.1Å; E209-R212 IonicContact OE1-CZ 3.02Å; E209-R212 IonicContact OE1-NE 3.21Å; E209-R212 PolarHBondContact OE1-NE 3.33Å; E209-R212 IonicContact OE1-NH2 3.01Å; E209-R212 PolarHBondContact OE1-NH2 2.98Å; E209-R212 IonicContact OE2-CZ 3.2Å; E209-R212 IonicContact OE2-NE 2.95Å; E209-R212 PolarHBondContact OE2-NE 2.78Å; E209-R212 IonicContact OE2-NH2 3.02Å; R212-A214 VanDerWaalsContact C-N 3.31Å; R212-A214 PolarHBondContact O-N 3.17Å; R212-G215 WeakPolarHBondContact O-CA 3.48Å; R212-G215 PolarHBondContact O-N 3.34Å; R212-F216 HydrophobicContact CG-CE1 4.2Å; R212-F216 WeakPolarHBondContact O-CD1 3.32Å; R212-D397 IonicContact CZ-OD1 3.27Å; R212-D397 IonicContact CZ-OD2 2.64Å; R212-D397 IonicContact NH1-OD1 3.86Å; R212-D397 IonicContact NH1-OD2 2.94Å; R212-D397 PolarHBondContact NH1-OD2 3.48Å; R212-D397 IonicContact NH2-OD1 2.77Å; R212-D397 PolarHBondContact NH2-OD1 3.16Å; R212-D397 IonicContact NH2-OD2 2.84Å
213	V	97.4	Very high	92.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-58.7	-43.3	175.2	172	0	0	0	0	111.2	E209 G215 F216 F233 P236 Y237	E209-V213 WeakPolarHBondContact O-CG2 3.41Å; E209-V213 PolarHBondContact O-N 2.63Å; V213-G215 PolarHBondContact O-N 2.86Å; V213-F216 HydrophobicContact CB-CE2 4.28Å; V213-F216 HydrophobicContact CG1-CD2 4.4Å; V213-F216 HydrophobicContact CG1-CE2 4.44Å; V213-F216 HydrophobicContact CG2-CE2 4.03Å; V213-F216 HydrophobicContact CG2-CZ 4.44Å; V213-F216 WeakPolarHBondContact O-CB 3.29Å; V213-F216 WeakPolarHBondContact O-CG 3.35Å; V213-F216 PolarHBondContact O-N 3.22Å; V213-F233 HydrophobicContact CB-CD1 4.49Å; V213-F233 HydrophobicContact CG2-CD1 4.06Å; V213-F233 HydrophobicContact CG2-CE1 4.35Å; V213-P236 HydrophobicContact CG1-CB 3.99Å; V213-Y237 HydrophobicContact CG1-CD1 3.94Å; V213-Y237 HydrophobicContact CG1-CD2 3.77Å; V213-Y237 HydrophobicContact CG1-CE1 3.74Å; V213-Y237 HydrophobicContact CG1-CE2 3.52Å; V213-Y237 HydrophobicContact CG1-CG 3.96Å
214	A	96	Very high	93.7	Very high	21 Å²	21	44 Å²	44	17%	0.174	27%	0.266	C	S	.	.	H	α-helix	trans	-62.3	-22	175.8	0	0	0	0	0	113.6	K210 L211 R212 P236 H240	K210-A214 WeakPolarHBondContact O-CB 3.46Å; K210-A214 PolarHBondContact O-N 2.83Å; L211-A214 PolarHBondContact O-N 2.88Å; R212-A214 VanDerWaalsContact C-N 3.31Å; R212-A214 PolarHBondContact O-N 3.17Å; A214-P236 HydrophobicContact CB-CB 4.23Å; A214-H240 HydrophobicContact CB-CB 3.66Å; A214-H240 WeakPolarHBondContact O-CB 3.38Å
215	G	97.6	Very high	94.9	Very high	63 Å²	63	42.1 Å²	42.1	65%	0.649	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.1	-4.4	179.1	0	0	0	0	0	114.9	L211 R212 V213	L211-G215 PolarHBondContact O-N 3.09Å; L211-G215 VanDerWaalsContact O-N 3.1Å; R212-G215 WeakPolarHBondContact O-CA 3.48Å; R212-G215 PolarHBondContact O-N 3.34Å; V213-G215 PolarHBondContact O-N 2.86Å
216	F	97.9	Very high	96	Very high	43 Å²	43	40.3 Å²	40.3	19%	0.189	23%	0.231	C	C	.	.	S	Bend	trans	-68.5	161.5	174.3	-60.5	-22.1	0	0	0	111.8	R212 V213 Y237 A241 H319	R212-F216 HydrophobicContact CG-CE1 4.2Å; R212-F216 WeakPolarHBondContact O-CD1 3.32Å; V213-F216 HydrophobicContact CB-CE2 4.28Å; V213-F216 HydrophobicContact CG1-CD2 4.4Å; V213-F216 HydrophobicContact CG1-CE2 4.44Å; V213-F216 HydrophobicContact CG2-CE2 4.03Å; V213-F216 HydrophobicContact CG2-CZ 4.44Å; V213-F216 WeakPolarHBondContact O-CB 3.29Å; V213-F216 WeakPolarHBondContact O-CG 3.35Å; V213-F216 PolarHBondContact O-N 3.22Å; F216-Y237 AromaticContact CD2-CE1 3.84Å; F216-Y237 HydrophobicContact CD2-CE1 3.84Å; F216-Y237 HydrophobicContact CE2-CE1 4.23Å; F216-A241 HydrophobicContact CB-CB 4.07Å; F216-A241 VanDerWaalsContact O-CA 3.32Å; F216-A241 WeakPolarHBondContact O-CA 3.36Å; F216-H319 AromaticContact CE2-CE1 3.83Å; F216-H319 AromaticContact CE2-NE2 3.92Å; F216-H319 AromaticContact CZ-CE1 3.95Å
217	D	98	Very high	96.7	Very high	87 Å²	87	42 Å²	42	47%	0.465	24%	0.237	S	C	.	.			trans	-112.1	96.8	166.3	-174.8	18.5	0	0	0	109.5	R219	D217-R219 VanDerWaalsContact CG-NH2 3.26Å; D217-R219 WeakPolarHBondContact OD1-CG 3.43Å; D217-R219 IonicContact OD1-CZ 2.81Å; D217-R219 PolarHBondContact OD1-N 3.26Å; D217-R219 IonicContact OD1-NE 2.83Å; D217-R219 PolarHBondContact OD1-NE 3.42Å; D217-R219 IonicContact OD1-NH1 2.86Å; D217-R219 PolarHBondContact OD1-NH1 2.93Å; D217-R219 IonicContact OD1-NH2 2.61Å; D217-R219 PolarHBondContact OD1-NH2 3.15Å; D217-R219 IonicContact OD2-CZ 3.2Å; D217-R219 IonicContact OD2-NE 3.67Å; D217-R219 IonicContact OD2-NH1 3.15Å; D217-R219 IonicContact OD2-NH2 3.26Å; D217-R219 PolarHBondContact OD2-NH2 3.12Å
218	C	98.4	Very high	97.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.213	C	C	.	.			trans	-102.5	17.6	-178.5	-65	0	0	0	0	112.1	G220 E221 A241 A243	C218-G220 PolarHBondContact O-N 3.35Å; C218-E221 HydrophobicContact CB-CB 4.12Å; C218-E221 HydrophobicContact CB-CG 4.32Å; C218-E221 WeakPolarHBondContact CB-OE2 3.2Å; C218-E221 VanDerWaalsContact O-CB 3.25Å; C218-E221 WeakPolarHBondContact O-CB 3.32Å; C218-E221 PolarHBondContact O-N 3.34Å; C218-E221 PolarHBondContact SG-OE2 3.24Å; C218-A241 WeakPolarHBondContact CA-O 3.42Å; C218-A241 HydrophobicContact CB-CB 4.01Å; C218-A241 WeakPolarHBondContact CB-O 3.36Å; C218-A241 PolarHBondContact N-O 2.65Å; C218-A243 HydrophobicContact CB-CB 3.87Å; C218-A243 VanDerWaalsContact O-CA 3.27Å; C218-A243 WeakPolarHBondContact O-CA 3.39Å
219	R	98.3	Very high	97.4	Very high	140 Å²	140	34.4 Å²	34.4	53%	0.528	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	127.3	178.1	-75.5	-174.4	-67.4	-83.9	9.2	110.8	D217 E221 R242	D217-R219 VanDerWaalsContact CG-NH2 3.26Å; D217-R219 WeakPolarHBondContact OD1-CG 3.43Å; D217-R219 IonicContact OD1-CZ 2.81Å; D217-R219 PolarHBondContact OD1-N 3.26Å; D217-R219 IonicContact OD1-NE 2.83Å; D217-R219 PolarHBondContact OD1-NE 3.42Å; D217-R219 IonicContact OD1-NH1 2.86Å; D217-R219 PolarHBondContact OD1-NH1 2.93Å; D217-R219 IonicContact OD1-NH2 2.61Å; D217-R219 PolarHBondContact OD1-NH2 3.15Å; D217-R219 IonicContact OD2-CZ 3.2Å; D217-R219 IonicContact OD2-NE 3.67Å; D217-R219 IonicContact OD2-NH1 3.15Å; D217-R219 IonicContact OD2-NH2 3.26Å; D217-R219 PolarHBondContact OD2-NH2 3.12Å; R219-E221 PolarHBondContact O-N 2.96Å; R219-R242 WeakPolarHBondContact CA-O 3.45Å; R219-R242 HydrophobicContact CG-CB 3.72Å
220	G	98.1	Very high	97.5	Very high	56 Å²	56	34.6 Å²	34.6	58%	0.577	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	85.8	-16.2	-176	0	0	0	0	0	114.2	C218 S244	C218-G220 PolarHBondContact O-N 3.35Å; G220-S244 WeakPolarHBondContact CA-OG 3.5Å; G220-S244 PolarHBondContact N-OG 3.14Å; G220-S244 VanDerWaalsContact N-OG 3.09Å
221	E	98.7	Very high	97.6	Very high	37 Å²	37	33.7 Å²	33.7	17%	0.173	20%	0.196	C	C	.	.			trans	-80.4	143.6	-176.6	-61.6	-171.4	166.6	0	0	112.1	C218 R219 S244 H245 D289 R290	C218-E221 HydrophobicContact CB-CB 4.12Å; C218-E221 HydrophobicContact CB-CG 4.32Å; C218-E221 WeakPolarHBondContact CB-OE2 3.2Å; C218-E221 VanDerWaalsContact O-CB 3.25Å; C218-E221 WeakPolarHBondContact O-CB 3.32Å; C218-E221 PolarHBondContact O-N 3.34Å; C218-E221 PolarHBondContact SG-OE2 3.24Å; R219-E221 PolarHBondContact O-N 2.96Å; E221-S244 WeakPolarHBondContact O-CB 3.47Å; E221-S244 PolarHBondContact O-N 3.45Å; E221-H245 PolarHBondContact O-N 3.31Å; E221-D289 WeakPolarHBondContact CA-OD2 3.47Å; E221-D289 HydrophobicContact CB-CB 3.91Å; E221-D289 HydrophobicContact CG-CB 3.98Å; E221-R290 IonicContact OE1-CZ 3.76Å; E221-R290 IonicContact OE1-NH2 3.97Å; E221-R290 PolarHBondContact OE1-NH2 3.44Å; E221-R290 IonicContact OE2-CZ 3.97Å; E221-R290 IonicContact OE2-NE 3.92Å; E221-R290 PolarHBondContact OE2-NE 3.42Å; E221-R290 IonicContact OE2-NH2 3.26Å; E221-R290 PolarHBondContact OE2-NH2 2.84Å; E221-R290 VanDerWaalsContact OE2-NH2 3.11Å
222	T	98.9	Very high	97.7	Very high	26 Å²	26	29.4 Å²	29.4	16%	0.16	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	122.3	160.3	-59.5	0	0	0	0	109.4	H245 I287 D289 R290	T222-H245 WeakPolarHBondContact CA-O 3.38Å; T222-H245 HydrophobicContact CG2-CB 4.46Å; T222-I287 WeakPolarHBondContact CB-O 3.02Å; T222-I287 HydrophobicContact CG2-CG1 4.14Å; T222-D289 PolarHBondContact N-OD2 2.86Å; T222-D289 PolarHBondContact O-N 3.5Å; T222-R290 PolarHBondContact O-N 3.4Å
223	V	98.9	Very high	97.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	144.2	179.5	-174.7	0	0	0	0	109.7	Y237 A243 H245 V246 H247 R290	V223-Y237 HydrophobicContact CG1-CD1 4.06Å; V223-Y237 HydrophobicContact CG1-CD2 4.05Å; V223-Y237 HydrophobicContact CG1-CE1 4.09Å; V223-Y237 HydrophobicContact CG1-CE2 4.11Å; V223-Y237 HydrophobicContact CG1-CG 4.05Å; V223-Y237 HydrophobicContact CG2-CD1 3.99Å; V223-Y237 HydrophobicContact CG2-CE1 4.41Å; V223-Y237 HydrophobicContact CG2-CG 4.42Å; V223-A243 HydrophobicContact CG2-CB 3.7Å; V223-H245 PolarHBondContact N-O 2.88Å; V223-V246 HydrophobicContact CB-CG2 4.17Å; V223-V246 CarbonylContact O-C 3.59Å; V223-V246 VanDerWaalsContact O-CA 3.28Å; V223-V246 WeakPolarHBondContact O-CA 3.46Å; V223-H247 PolarHBondContact O-N 3.41Å; V223-R290 CarbonylContact C-O 3.52Å; V223-R290 WeakPolarHBondContact CA-O 3.21Å; V223-R290 HydrophobicContact CG1-CB 4.3Å; V223-R290 HydrophobicContact CG1-CG 4.48Å; V223-R290 HydrophobicContact CG2-CB 4.2Å
224	V	98.9	Very high	97.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	122.3	169.6	-174.2	0	0	0	0	109.4	L226 H247 I287 A288 R290 V291 N292 L309	V224-L226 HydrophobicContact CG1-CD2 3.93Å; V224-H247 CarbonylContact C-O 3.56Å; V224-H247 WeakPolarHBondContact CA-O 3.39Å; V224-H247 HydrophobicContact CG1-CB 4.22Å; V224-H247 HydrophobicContact CG2-CB 4.15Å; V224-I287 HydrophobicContact CG2-CG2 4.43Å; V224-A288 HydrophobicContact CG2-CB 3.68Å; V224-R290 PolarHBondContact N-O 2.8Å; V224-V291 HydrophobicContact CB-CG1 4.43Å; V224-V291 HydrophobicContact CB-CG2 4.4Å; V224-V291 CarbonylContact O-C 3.51Å; V224-V291 WeakPolarHBondContact O-CA 3.44Å; V224-N292 PolarHBondContact O-N 3.03Å; V224-L309 HydrophobicContact CB-CD1 4.13Å; V224-L309 HydrophobicContact CG1-CD1 3.72Å; V224-L309 HydrophobicContact CG2-CD1 4.29Å; V224-L309 HydrophobicContact CG2-CD2 4.41Å
225	D	98.8	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	107.2	173.5	-168.9	2.9	0	0	0	109	Y227 A228 T234 V246 H247 C249 N292	D225-Y227 VanDerWaalsContact C-N 3.26Å; D225-Y227 PolarHBondContact O-N 2.96Å; D225-A228 HydrophobicContact CB-CB 4.45Å; D225-T234 PolarHBondContact OD2-N 3.35Å; D225-T234 VanDerWaalsContact OD2-N 3.15Å; D225-T234 PolarHBondContact OD2-OG1 2.93Å; D225-V246 HydrophobicContact CB-CG1 4.44Å; D225-H247 PolarHBondContact N-O 3.46Å; D225-C249 PolarHBondContact O-N 3.02Å; D225-N292 PolarHBondContact OD1-ND2 2.97Å
226	L	98.6	Very high	97.8	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-11.6	-172.6	-70.6	-176.1	0	0	0	114.1	V224 N279 V291 N292 L293 I305 A306 L309	V224-L226 HydrophobicContact CG1-CD2 3.93Å; L226-N279 HydrophobicContact CD2-CB 4.15Å; L226-N279 PolarHBondContact O-ND2 3.28Å; L226-V291 HydrophobicContact CD1-CG1 3.91Å; L226-V291 HydrophobicContact CG-CG1 3.87Å; L226-N292 PolarHBondContact N-O 3.17Å; L226-L293 HydrophobicContact CD1-CD2 3.94Å; L226-L293 HydrophobicContact CD1-CG 4.05Å; L226-I305 HydrophobicContact CD2-CG2 4.1Å; L226-A306 HydrophobicContact CD1-CB 4.16Å; L226-L309 HydrophobicContact CD2-CD1 3.79Å
227	Y	97.3	Very high	97.8	Very high	47 Å²	47	22 Å²	22	18%	0.184	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.7	61.3	-175.4	-52.3	-81.3	0	0	0	110.1	D225 G229 N279 L293 L295	D225-Y227 VanDerWaalsContact C-N 3.26Å; D225-Y227 PolarHBondContact O-N 2.96Å; Y227-G229 VanDerWaalsContact C-N 3.31Å; Y227-G229 PolarHBondContact O-N 2.82Å; Y227-N279 WeakPolarHBondContact CE1-ND2 3.34Å; Y227-L293 HydrophobicContact CE2-CB 4.38Å; Y227-L295 HydrophobicContact CD1-CB 3.93Å; Y227-L295 HydrophobicContact CD1-CD1 4.41Å; Y227-L295 HydrophobicContact CD1-CD2 3.98Å; Y227-L295 HydrophobicContact CD1-CG 4.32Å; Y227-L295 HydrophobicContact CD2-CB 3.69Å; Y227-L295 HydrophobicContact CE1-CB 3.95Å; Y227-L295 HydrophobicContact CE1-CD2 3.48Å; Y227-L295 VanDerWaalsContact CE1-CD2 3.48Å; Y227-L295 HydrophobicContact CE1-CG 4.23Å; Y227-L295 HydrophobicContact CE2-CB 3.71Å; Y227-L295 HydrophobicContact CG-CB 3.79Å
228	A	97.3	Very high	97.9	Very high	2 Å²	2	18 Å²	18	2%	0.017	10%	0.098	C	C	.	.			trans	-67.3	-28.8	-164.4	0	0	0	0	0	114	D225 I230 G231 Y232 A248 C249 E250 L259	D225-A228 HydrophobicContact CB-CB 4.45Å; A228-I230 PolarHBondContact O-N 3.24Å; A228-G231 WeakPolarHBondContact O-CA 3.19Å; A228-G231 PolarHBondContact O-N 3.2Å; A228-Y232 PolarHBondContact O-N 3.1Å; A228-A248 HydrophobicContact CB-CB 3.66Å; A228-C249 PolarHBondContact N-O 3.24Å; A228-E250 HydrophobicContact CB-CB 4.4Å; A228-L259 HydrophobicContact CB-CD2 4.03Å
229	G	96.4	Very high	97.8	Very high	20 Å²	20	20.6 Å²	20.6	21%	0.206	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-132.1	-173.6	0	0	0	0	0	110.6	Y227 G231 E250	Y227-G229 VanDerWaalsContact C-N 3.31Å; Y227-G229 PolarHBondContact O-N 2.82Å; G229-G231 PolarHBondContact O-N 3Å; G229-E250 WeakPolarHBondContact CA-OE2 3.28Å; G229-E250 PolarHBondContact N-OE2 2.65Å
230	I	96.9	Very high	97.8	Very high	4 Å²	4	19.2 Å²	19.2	2%	0.021	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	7.7	175	68.8	168.2	0	0	0	113.5	Y193 F195 C200 F202 A228 A255 A258 N262	Y193-I230 HydrophobicContact CD1-CD1 3.96Å; Y193-I230 HydrophobicContact CD1-CG1 4.13Å; Y193-I230 HydrophobicContact CG-CD1 4.3Å; F195-I230 HydrophobicContact CB-CB 4.42Å; F195-I230 HydrophobicContact CB-CD1 4.14Å; F195-I230 HydrophobicContact CB-CG2 3.79Å; F195-I230 HydrophobicContact CD1-CD1 3.35Å; F195-I230 HydrophobicContact CE1-CD1 3.78Å; F195-I230 HydrophobicContact CG-CD1 3.78Å; F195-I230 HydrophobicContact CG-CG2 4.32Å; C200-I230 HydrophobicContact CB-CG2 3.69Å; F202-I230 HydrophobicContact CD2-CD1 3.7Å; F202-I230 HydrophobicContact CE2-CD1 4.27Å; A228-I230 PolarHBondContact O-N 3.24Å; I230-A255 HydrophobicContact CG2-CB 4.45Å; I230-A258 HydrophobicContact CB-CB 4.22Å; I230-A258 HydrophobicContact CG2-CB 3.89Å; I230-N262 PolarHBondContact O-ND2 3.11Å
231	G	96.9	Very high	97.8	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.7	23	-176.8	0	0	0	0	0	115.6	A228 G229 F233 T234 L235 L259	A228-G231 WeakPolarHBondContact O-CA 3.19Å; A228-G231 PolarHBondContact O-N 3.2Å; G229-G231 PolarHBondContact O-N 3Å; G231-F233 VanDerWaalsContact C-N 3.31Å; G231-F233 PolarHBondContact O-N 3.19Å; G231-T234 PolarHBondContact O-N 2.98Å; G231-L235 WeakPolarHBondContact O-CB 3.23Å; G231-L235 WeakPolarHBondContact O-CG 3.25Å; G231-L235 PolarHBondContact O-N 3.31Å; G231-L259 VanDerWaalsContact CA-CD1 3.49Å
232	Y	95.4	Very high	97.8	Very high	24 Å²	24	21.7 Å²	21.7	9%	0.094	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-40.8	-170.4	-171.7	-88.8	0	0	0	113.6	Y193 F202 S203 N206 I207 K210 A228 P236	Y193-Y232 PolarHBondContact OH-O 3.42Å; F202-Y232 HydrophobicContact CD2-CD2 4.3Å; F202-Y232 AromaticContact CE2-CD2 3.79Å; F202-Y232 HydrophobicContact CE2-CD2 3.79Å; F202-Y232 AromaticContact CE2-CE2 3.87Å; F202-Y232 HydrophobicContact CE2-CE2 3.87Å; F202-Y232 HydrophobicContact CZ-CE2 4.18Å; S203-Y232 PolarHBondContact O-OH 3.39Å; N206-Y232 HydrophobicContact CB-CE1 3.85Å; N206-Y232 PolarHBondContact O-OH 3Å; I207-Y232 PolarHBondContact N-OH 2.88Å; K210-Y232 HydrophobicContact CB-CE1 3.84Å; K210-Y232 HydrophobicContact CD-CE1 4.08Å; K210-Y232 HydrophobicContact CD-CE2 4.19Å; K210-Y232 HydrophobicContact CG-CE1 4.18Å; A228-Y232 PolarHBondContact O-N 3.1Å; Y232-P236 WeakPolarHBondContact O-CD 3.47Å; Y232-P236 VanDerWaalsContact O-CG 3.28Å; Y232-P236 WeakPolarHBondContact O-CG 3.5Å
233	F	96.8	Very high	97.8	Very high	11 Å²	11	20.5 Å²	20.5	5%	0.048	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-34.2	173.9	-68.6	-61.8	0	0	0	112.8	N206 E209 K210 V213 G231 L235 P236 Y237 H321	N206-F233 HydrophobicContact CB-CZ 4.46Å; E209-F233 HydrophobicContact CB-CE1 4.38Å; E209-F233 HydrophobicContact CG-CE1 3.84Å; E209-F233 HydrophobicContact CG-CZ 4.01Å; K210-F233 HydrophobicContact CB-CE1 4.46Å; V213-F233 HydrophobicContact CB-CD1 4.49Å; V213-F233 HydrophobicContact CG2-CD1 4.06Å; V213-F233 HydrophobicContact CG2-CE1 4.35Å; G231-F233 VanDerWaalsContact C-N 3.31Å; G231-F233 PolarHBondContact O-N 3.19Å; F233-L235 VanDerWaalsContact C-N 3.33Å; F233-L235 PolarHBondContact O-N 2.91Å; F233-P236 WeakPolarHBondContact O-CD 3.45Å; F233-Y237 HydrophobicContact CB-CE2 4.39Å; F233-Y237 WeakPolarHBondContact O-CD2 3.44Å; F233-Y237 PolarHBondContact O-N 3.36Å; F233-H321 AromaticContact CE2-CE1 3.74Å; F233-H321 AromaticContact CZ-CE1 3.61Å
234	T	98.3	Very high	97.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-48.6	-49	173.8	-65	0	0	0	0	112.9	D225 G231 Y237 L238 V246 A248 L259	D225-T234 PolarHBondContact OD2-N 3.35Å; D225-T234 VanDerWaalsContact OD2-N 3.15Å; D225-T234 PolarHBondContact OD2-OG1 2.93Å; G231-T234 PolarHBondContact O-N 2.98Å; T234-Y237 PolarHBondContact O-N 3.35Å; T234-L238 HydrophobicContact CG2-CD1 3.84Å; T234-L238 WeakPolarHBondContact O-CG 3.42Å; T234-L238 PolarHBondContact O-N 3.48Å; T234-L238 VanDerWaalsContact O-N 3.12Å; T234-V246 HydrophobicContact CG2-CB 4.42Å; T234-V246 HydrophobicContact CG2-CG1 3.93Å; T234-A248 HydrophobicContact CG2-CB 4.21Å; T234-L259 HydrophobicContact CG2-CD1 4.23Å
235	L	97.8	Very high	97.8	Very high	5 Å²	5	25.2 Å²	25.2	3%	0.026	13%	0.125	C	C	.	.	H	α-helix	trans	-66.9	-45.6	-178.1	-66	175.5	0	0	0	113.1	Y193 G231 F233 Y237 L238 V239 N262 L263 N266 V268	Y193-L235 HydrophobicContact CD1-CD1 3.82Å; Y193-L235 HydrophobicContact CE1-CB 4.4Å; Y193-L235 HydrophobicContact CE1-CD1 3.35Å; Y193-L235 HydrophobicContact CE1-CG 4.25Å; G231-L235 WeakPolarHBondContact O-CB 3.23Å; G231-L235 WeakPolarHBondContact O-CG 3.25Å; G231-L235 PolarHBondContact O-N 3.31Å; F233-L235 VanDerWaalsContact C-N 3.33Å; F233-L235 PolarHBondContact O-N 2.91Å; L235-Y237 VanDerWaalsContact C-N 3.29Å; L235-Y237 PolarHBondContact O-N 3.1Å; L235-L238 PolarHBondContact O-N 3.31Å; L235-L238 VanDerWaalsContact O-N 3.15Å; L235-V239 WeakPolarHBondContact O-CB 3.4Å; L235-V239 WeakPolarHBondContact O-CG2 3.43Å; L235-V239 PolarHBondContact O-N 3.31Å; L235-N262 HydrophobicContact CD1-CB 3.85Å; L235-L263 HydrophobicContact CD2-CD2 3.97Å; L235-N266 HydrophobicContact CD2-CB 4.3Å; L235-V268 HydrophobicContact CD2-CG2 4.27Å
236	P	97.3	Very high	97.8	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.013	13%	0.125	C	C	.	.	H	α-helix	trans	-51.8	-43.2	170.2	-31	32.6	0	0	0	114.4	Y193 K210 V213 A214 Y232 F233 H240 A241	Y193-P236 WeakPolarHBondContact OH-CD 3.46Å; K210-P236 HydrophobicContact CD-CG 4.43Å; K210-P236 HydrophobicContact CG-CG 3.69Å; V213-P236 HydrophobicContact CG1-CB 3.99Å; A214-P236 HydrophobicContact CB-CB 4.23Å; Y232-P236 WeakPolarHBondContact O-CD 3.47Å; Y232-P236 VanDerWaalsContact O-CG 3.28Å; Y232-P236 WeakPolarHBondContact O-CG 3.5Å; F233-P236 WeakPolarHBondContact O-CD 3.45Å; P236-H240 PolarHBondContact O-N 3.07Å; P236-A241 PolarHBondContact O-N 3.21Å
237	Y	98.7	Very high	97.8	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.2	-44.5	176.1	-80.2	-67	0	0	0	111.9	V213 F216 V223 F233 T234 L235 A241 R242 A243 N292 H319	V213-Y237 HydrophobicContact CG1-CD1 3.94Å; V213-Y237 HydrophobicContact CG1-CD2 3.77Å; V213-Y237 HydrophobicContact CG1-CE1 3.74Å; V213-Y237 HydrophobicContact CG1-CE2 3.52Å; V213-Y237 HydrophobicContact CG1-CG 3.96Å; F216-Y237 AromaticContact CD2-CE1 3.84Å; F216-Y237 HydrophobicContact CD2-CE1 3.84Å; F216-Y237 HydrophobicContact CE2-CE1 4.23Å; V223-Y237 HydrophobicContact CG1-CD1 4.06Å; V223-Y237 HydrophobicContact CG1-CD2 4.05Å; V223-Y237 HydrophobicContact CG1-CE1 4.09Å; V223-Y237 HydrophobicContact CG1-CE2 4.11Å; V223-Y237 HydrophobicContact CG1-CG 4.05Å; V223-Y237 HydrophobicContact CG2-CD1 3.99Å; V223-Y237 HydrophobicContact CG2-CE1 4.41Å; V223-Y237 HydrophobicContact CG2-CG 4.42Å; F233-Y237 HydrophobicContact CB-CE2 4.39Å; F233-Y237 WeakPolarHBondContact O-CD2 3.44Å; F233-Y237 PolarHBondContact O-N 3.36Å; T234-Y237 PolarHBondContact O-N 3.35Å; L235-Y237 VanDerWaalsContact C-N 3.29Å; L235-Y237 PolarHBondContact O-N 3.1Å; Y237-A241 HydrophobicContact CD1-CB 4.37Å; Y237-A241 CarbonylContact O-C 3.58Å; Y237-R242 PolarHBondContact O-N 3.3Å; Y237-A243 WeakPolarHBondContact O-CB 3.23Å; Y237-A243 PolarHBondContact O-N 2.68Å; Y237-N292 HydrophobicContact CE2-CB 3.85Å; Y237-H319 PolarHBondContact OH-CD2 3.4Å
238	L	98.6	Very high	97.9	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-71	-52.3	-178.6	-71.5	165.6	0	0	0	112.9	T234 L235 V246 L263 V268 R271 C272	T234-L238 HydrophobicContact CG2-CD1 3.84Å; T234-L238 WeakPolarHBondContact O-CG 3.42Å; T234-L238 PolarHBondContact O-N 3.48Å; T234-L238 VanDerWaalsContact O-N 3.12Å; L235-L238 PolarHBondContact O-N 3.31Å; L235-L238 VanDerWaalsContact O-N 3.15Å; L238-V246 HydrophobicContact CD1-CB 4.42Å; L238-V246 HydrophobicContact CD1-CG2 4.37Å; L238-V246 HydrophobicContact CD2-CB 4.02Å; L238-V246 HydrophobicContact CD2-CG2 3.54Å; L238-V246 HydrophobicContact CG-CB 4.14Å; L238-V246 HydrophobicContact CG-CG2 3.59Å; L238-L263 HydrophobicContact CD1-CD2 3.54Å; L238-V268 HydrophobicContact CB-CB 4.31Å; L238-V268 HydrophobicContact CB-CG1 4.36Å; L238-V268 HydrophobicContact CB-CG2 4.08Å; L238-V268 HydrophobicContact CD1-CB 4.37Å; L238-V268 HydrophobicContact CD1-CG2 3.82Å; L238-V268 HydrophobicContact CG-CG2 4.5Å; L238-R271 HydrophobicContact CD2-CB 3.75Å; L238-R271 VanDerWaalsContact CD2-O 3.3Å; L238-R271 WeakPolarHBondContact CD2-O 3.21Å; L238-R271 PolarHBondContact O-NH1 2.78Å; L238-R271 PolarHBondContact O-NH2 3.18Å; L238-C272 HydrophobicContact CD1-CB 3.89Å
239	V	97.5	Very high	97.9	Very high	55 Å²	55	23.7 Å²	23.7	33%	0.333	12%	0.119	S	C	.	.	H	α-helix	trans	-82.9	-42.5	-167.6	179.3	0	0	0	0	111.6	L235 N266 V268	L235-V239 WeakPolarHBondContact O-CB 3.4Å; L235-V239 WeakPolarHBondContact O-CG2 3.43Å; L235-V239 PolarHBondContact O-N 3.31Å; V239-N266 HydrophobicContact CG2-CB 4.18Å; V239-V268 HydrophobicContact CG2-CG1 4.3Å; V239-V268 HydrophobicContact CG2-CG2 4.45Å
240	H	97.4	Very high	98	Very high	112 Å²	112	23.6 Å²	23.6	52%	0.519	11%	0.113	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-48.9	-170.7	-59.1	-54.5	0	0	0	112.6	A214 P236 R242	A214-H240 HydrophobicContact CB-CB 3.66Å; A214-H240 WeakPolarHBondContact O-CB 3.38Å; P236-H240 PolarHBondContact O-N 3.07Å; H240-R242 PolarHBondContact O-N 3.32Å
241	A	98.3	Very high	98	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	13%	0.131	C	C	.	.	S	Bend	trans	-75	-14	177.5	0	0	0	0	0	113	F216 C218 P236 Y237 A243	F216-A241 HydrophobicContact CB-CB 4.07Å; F216-A241 VanDerWaalsContact O-CA 3.32Å; F216-A241 WeakPolarHBondContact O-CA 3.36Å; C218-A241 WeakPolarHBondContact CA-O 3.42Å; C218-A241 HydrophobicContact CB-CB 4.01Å; C218-A241 WeakPolarHBondContact CB-O 3.36Å; C218-A241 PolarHBondContact N-O 2.65Å; P236-A241 PolarHBondContact O-N 3.21Å; Y237-A241 HydrophobicContact CD1-CB 4.37Å; Y237-A241 CarbonylContact O-C 3.58Å; A241-A243 VanDerWaalsContact C-N 3.33Å; A241-A243 PolarHBondContact O-N 3.11Å
242	R	98.4	Very high	98	Very high	144 Å²	144	28.8 Å²	28.8	54%	0.543	13%	0.133	S	C	.	.			trans	62	34.9	176.4	-52.8	174.8	-178.9	178.1	-3.8	113.8	R219 Y237 H240 S244	R219-R242 WeakPolarHBondContact CA-O 3.45Å; R219-R242 HydrophobicContact CG-CB 3.72Å; Y237-R242 PolarHBondContact O-N 3.3Å; H240-R242 PolarHBondContact O-N 3.32Å; R242-S244 PolarHBondContact O-N 3.41Å
243	A	98.8	Very high	98	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.155	C	C	.	.			trans	-51.5	127	170.6	0	0	0	0	0	111	C218 V223 Y237 A241 H245 V246 R271	C218-A243 HydrophobicContact CB-CB 3.87Å; C218-A243 VanDerWaalsContact O-CA 3.27Å; C218-A243 WeakPolarHBondContact O-CA 3.39Å; V223-A243 HydrophobicContact CG2-CB 3.7Å; Y237-A243 WeakPolarHBondContact O-CB 3.23Å; Y237-A243 PolarHBondContact O-N 2.68Å; A241-A243 VanDerWaalsContact C-N 3.33Å; A241-A243 PolarHBondContact O-N 3.11Å; A243-H245 PolarHBondContact O-N 2.98Å; A243-V246 HydrophobicContact CB-CG2 3.97Å; A243-R271 PolarHBondContact O-NE 2.83Å; A243-R271 PolarHBondContact O-NH2 2.59Å
244	S	98.7	Very high	98.1	Very high	57 Å²	57	33 Å²	33	40%	0.399	16%	0.163	S	C	.	.	S	Bend	trans	-56.4	-43.1	-178.9	-71.4	0	0	0	0	111.9	G220 E221 R242 R271	G220-S244 WeakPolarHBondContact CA-OG 3.5Å; G220-S244 PolarHBondContact N-OG 3.14Å; G220-S244 VanDerWaalsContact N-OG 3.09Å; E221-S244 WeakPolarHBondContact O-CB 3.47Å; E221-S244 PolarHBondContact O-N 3.45Å; R242-S244 PolarHBondContact O-N 3.41Å; S244-R271 PolarHBondContact O-NE 2.91Å
245	H	98.9	Very high	98	Very high	43 Å²	43	33.2 Å²	33.2	20%	0.199	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	146.7	177.2	-160.2	79.3	0	0	0	111.2	E221 T222 V223 A243 H247 R271 T273	E221-H245 PolarHBondContact O-N 3.31Å; T222-H245 WeakPolarHBondContact CA-O 3.38Å; T222-H245 HydrophobicContact CG2-CB 4.46Å; V223-H245 PolarHBondContact N-O 2.88Å; A243-H245 PolarHBondContact O-N 2.98Å; H245-H247 AromaticContact CD2-CD2 3.95Å; H245-H247 AromaticContact CD2-CE1 3.69Å; H245-H247 AromaticContact CD2-NE2 3.61Å; H245-H247 AromaticContact NE2-CE1 3.73Å; H245-H247 AromaticContact NE2-ND1 3.99Å; H245-R271 CarbonylContact C-O 3.47Å; H245-R271 WeakPolarHBondContact CA-O 3.5Å; H245-R271 PolarHBondContact ND1-O 2.79Å; H245-T273 PolarHBondContact CE1-OG1 2.82Å; H245-T273 PolarHBondContact NE2-OG1 2.8Å
246	V	98.9	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	124.5	170.7	-176.8	0	0	0	0	111	V223 D225 T234 L238 A243 R271 C272 T273	V223-V246 HydrophobicContact CB-CG2 4.17Å; V223-V246 CarbonylContact O-C 3.59Å; V223-V246 VanDerWaalsContact O-CA 3.28Å; V223-V246 WeakPolarHBondContact O-CA 3.46Å; D225-V246 HydrophobicContact CB-CG1 4.44Å; T234-V246 HydrophobicContact CG2-CB 4.42Å; T234-V246 HydrophobicContact CG2-CG1 3.93Å; L238-V246 HydrophobicContact CD1-CB 4.42Å; L238-V246 HydrophobicContact CD1-CG2 4.37Å; L238-V246 HydrophobicContact CD2-CB 4.02Å; L238-V246 HydrophobicContact CD2-CG2 3.54Å; L238-V246 HydrophobicContact CG-CB 4.14Å; L238-V246 HydrophobicContact CG-CG2 3.59Å; A243-V246 HydrophobicContact CB-CG2 3.97Å; V246-R271 PolarHBondContact N-O 2.93Å; V246-C272 CarbonylContact O-C 3.46Å; V246-C272 VanDerWaalsContact O-CA 3.23Å; V246-C272 WeakPolarHBondContact O-CA 3.22Å; V246-C272 PolarHBondContact O-SG 2.78Å; V246-T273 PolarHBondContact O-N 2.72Å
247	H	98.9	Very high	98.1	Very high	18 Å²	18	36.5 Å²	36.5	8%	0.083	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118.6	164.5	-65.9	-74.2	0	0	0	109.4	V223 V224 D225 H245 T273 H275 L284 I287	V223-H247 PolarHBondContact O-N 3.41Å; V224-H247 CarbonylContact C-O 3.56Å; V224-H247 WeakPolarHBondContact CA-O 3.39Å; V224-H247 HydrophobicContact CG1-CB 4.22Å; V224-H247 HydrophobicContact CG2-CB 4.15Å; D225-H247 PolarHBondContact N-O 3.46Å; H245-H247 AromaticContact CD2-CD2 3.95Å; H245-H247 AromaticContact CD2-CE1 3.69Å; H245-H247 AromaticContact CD2-NE2 3.61Å; H245-H247 AromaticContact NE2-CE1 3.73Å; H245-H247 AromaticContact NE2-ND1 3.99Å; H247-T273 CarbonylContact C-O 3.55Å; H247-T273 WeakPolarHBondContact CA-O 3.42Å; H247-H275 AromaticContact CG-NE2 3.62Å; H247-H275 AromaticContact ND1-CE1 3.94Å; H247-H275 AromaticContact ND1-NE2 3.09Å; H247-H275 PolarHBondContact ND1-NE2 3.04Å; H247-L284 HydrophobicContact CB-CD1 4.01Å; H247-I287 WeakPolarHBondContact NE2-CD1 3.45Å
248	A	98.8	Very high	98.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	111.1	-174.5	0	0	0	0	0	110.4	A228 T234 L259 T273 I274 H275	A228-A248 HydrophobicContact CB-CB 3.66Å; T234-A248 HydrophobicContact CG2-CB 4.21Å; A248-L259 HydrophobicContact CB-CD2 3.8Å; A248-T273 PolarHBondContact N-O 2.9Å; A248-I274 CarbonylContact O-C 3.58Å; A248-I274 WeakPolarHBondContact O-CA 3.47Å; A248-H275 PolarHBondContact O-N 2.91Å
249	C	98.7	Very high	98.1	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.007	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	126.8	176.1	-57.9	0	0	0	0	110.1	D225 A228 N279	D225-C249 PolarHBondContact O-N 3.02Å; A228-C249 PolarHBondContact N-O 3.24Å; C249-N279 HydrophobicContact CB-CB 3.71Å
250	E	97.9	Very high	98.1	Very high	18 Å²	18	38.7 Å²	38.7	8%	0.084	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	126.4	177.7	179	48.9	-125.6	0	0	111	A228 G229 N252 A255 V256 H275 P276 G277	A228-E250 HydrophobicContact CB-CB 4.4Å; G229-E250 WeakPolarHBondContact CA-OE2 3.28Å; G229-E250 PolarHBondContact N-OE2 2.65Å; E250-N252 WeakPolarHBondContact OE1-CA 3.08Å; E250-N252 WeakPolarHBondContact OE1-CB 3.35Å; E250-N252 PolarHBondContact OE1-N 2.99Å; E250-A255 HydrophobicContact CG-CB 3.69Å; E250-V256 HydrophobicContact CB-CG2 3.89Å; E250-V256 HydrophobicContact CG-CG2 3.85Å; E250-V256 WeakPolarHBondContact O-CG2 3.25Å; E250-H275 PolarHBondContact N-O 3.36Å; E250-P276 CarbonylContact O-C 3.5Å; E250-P276 VanDerWaalsContact O-CA 3.29Å; E250-P276 WeakPolarHBondContact O-CA 3.34Å; E250-G277 PolarHBondContact O-N 2.9Å
251	W	96.4	Very high	98.1	Very high	103 Å²	103	37.4 Å²	37.4	39%	0.39	19%	0.19	S	C	.	.			trans	-97	-18.8	-176.1	66.1	-13.8	0	0	0	115.2	G171 F172 P253 G277	G171-W251 WeakPolarHBondContact O-CZ2 3.28Å; F172-W251 AromaticContact CD1-CD1 3.67Å; F172-W251 AromaticContact CD1-CD2 3.7Å; F172-W251 HydrophobicContact CD1-CD2 3.7Å; F172-W251 AromaticContact CD1-CE2 3.54Å; F172-W251 HydrophobicContact CD1-CE3 4.41Å; F172-W251 AromaticContact CD1-CG 3.85Å; F172-W251 HydrophobicContact CD1-CG 3.85Å; F172-W251 HydrophobicContact CD1-CZ2 4.18Å; F172-W251 AromaticContact CD1-NE1 3.47Å; F172-W251 HydrophobicContact CE1-CB 4.21Å; F172-W251 AromaticContact CE1-CD1 3.88Å; F172-W251 AromaticContact CE1-CD2 3.59Å; F172-W251 HydrophobicContact CE1-CD2 3.59Å; F172-W251 AromaticContact CE1-CE2 3.96Å; F172-W251 HydrophobicContact CE1-CE3 4.06Å; F172-W251 AromaticContact CE1-CG 3.62Å; F172-W251 HydrophobicContact CE1-CG 3.62Å; W251-P253 WeakPolarHBondContact O-CD 3.03Å; W251-G277 VanDerWaalsContact CB-C 3.47Å; W251-G277 WeakPolarHBondContact CB-O 3.09Å
252	N	96.6	Very high	98.1	Very high	9 Å²	9	37.4 Å²	37.4	5%	0.048	19%	0.189	C	C	.	.			trans	-80.4	114.6	174.7	175.8	-5.5	0	0	0	108.3	F172 R199 E250 D254 A255 V256	F172-N252 HydrophobicContact CD1-CB 4.49Å; F172-N252 HydrophobicContact CG-CB 4.45Å; R199-N252 PolarHBondContact O-ND2 3.21Å; E250-N252 WeakPolarHBondContact OE1-CA 3.08Å; E250-N252 WeakPolarHBondContact OE1-CB 3.35Å; E250-N252 PolarHBondContact OE1-N 2.99Å; N252-D254 PolarHBondContact O-N 2.84Å; N252-D254 WeakPolarHBondContact OD1-CB 3.42Å; N252-D254 PolarHBondContact OD1-N 2.77Å; N252-A255 HydrophobicContact CB-CB 3.9Å; N252-A255 WeakPolarHBondContact O-CB 3.12Å; N252-A255 PolarHBondContact O-N 3.28Å; N252-V256 PolarHBondContact O-N 2.88Å
253	P	97	Very high	98.1	Very high	84 Å²	84	30.7 Å²	30.7	55%	0.545	17%	0.165	S	C	.	.	H	α-helix	trans	-61.5	-30	-176.7	25.2	-34.7	0	0	0	113.2	W251 V256 A257	W251-P253 WeakPolarHBondContact O-CD 3.03Å; P253-V256 PolarHBondContact O-N 3.44Å; P253-A257 PolarHBondContact O-N 3.25Å
254	D	97.5	Very high	98.1	Very high	41 Å²	41	36 Å²	36	22%	0.219	19%	0.189	C	C	.	.	H	α-helix	trans	-71.8	-35.3	176.5	-65.4	-60.5	0	0	0	111.7	R199 C200 N252 A257 A258	R199-D254 HydrophobicContact CB-CB 3.7Å; R199-D254 VanDerWaalsContact CZ-CG 3.45Å; R199-D254 IonicContact CZ-OD1 3.5Å; R199-D254 IonicContact CZ-OD2 2.72Å; R199-D254 IonicContact NE-OD1 3.72Å; R199-D254 PolarHBondContact NE-OD1 2.95Å; R199-D254 IonicContact NE-OD2 3.91Å; R199-D254 PolarHBondContact NE-OD2 2.88Å; R199-D254 IonicContact NH1-OD1 3.77Å; R199-D254 VanDerWaalsContact NH2-CG 3.28Å; R199-D254 IonicContact NH2-OD1 2.69Å; R199-D254 PolarHBondContact NH2-OD1 3.48Å; R199-D254 IonicContact NH2-OD2 2.74Å; R199-D254 PolarHBondContact NH2-OD2 2.95Å; C200-D254 PolarHBondContact SG-O 2.94Å; N252-D254 PolarHBondContact O-N 2.84Å; N252-D254 WeakPolarHBondContact OD1-CB 3.42Å; N252-D254 PolarHBondContact OD1-N 2.77Å; D254-A257 PolarHBondContact O-N 3.04Å; D254-A258 WeakPolarHBondContact O-CB 3.16Å; D254-A258 PolarHBondContact O-N 2.93Å
255	A	97.5	Very high	98	Very high	3 Å²	3	36.1 Å²	36.1	3%	0.025	19%	0.187	C	C	.	.	H	α-helix	trans	-70.7	-36.7	173.7	0	0	0	0	0	111.5	I230 E250 N252 A258 L259	I230-A255 HydrophobicContact CG2-CB 4.45Å; E250-A255 HydrophobicContact CG-CB 3.69Å; N252-A255 HydrophobicContact CB-CB 3.9Å; N252-A255 WeakPolarHBondContact O-CB 3.12Å; N252-A255 PolarHBondContact O-N 3.28Å; A255-A258 PolarHBondContact O-N 2.82Å; A255-L259 VanDerWaalsContact O-CB 3.31Å; A255-L259 WeakPolarHBondContact O-CB 3.46Å; A255-L259 PolarHBondContact O-N 3.43Å
256	V	98.4	Very high	97.9	Very high	22 Å²	22	35.9 Å²	35.9	13%	0.133	19%	0.187	C	C	.	.	H	α-helix	trans	-58.3	-49.3	170.6	168.5	0	0	0	0	111	E250 N252 P253 A258 L259 Q260 I274 P276	E250-V256 HydrophobicContact CB-CG2 3.89Å; E250-V256 HydrophobicContact CG-CG2 3.85Å; E250-V256 WeakPolarHBondContact O-CG2 3.25Å; N252-V256 PolarHBondContact O-N 2.88Å; P253-V256 PolarHBondContact O-N 3.44Å; V256-A258 VanDerWaalsContact C-N 3.32Å; V256-A258 PolarHBondContact O-N 3.45Å; V256-L259 PolarHBondContact O-N 2.95Å; V256-Q260 PolarHBondContact O-N 2.88Å; V256-I274 HydrophobicContact CG1-CG2 4.08Å; V256-I274 HydrophobicContact CG2-CG2 4.25Å; V256-P276 HydrophobicContact CG1-CG 4.28Å; V256-P276 HydrophobicContact CG2-CB 4.28Å
257	A	98.3	Very high	97.8	Very high	55 Å²	55	38.3 Å²	38.3	46%	0.455	21%	0.212	S	C	.	.	H	α-helix	trans	-61.9	-40.7	178.5	0	0	0	0	0	112	P253 D254 K261	P253-A257 PolarHBondContact O-N 3.25Å; D254-A257 PolarHBondContact O-N 3.04Å; A257-K261 PolarHBondContact O-N 3.15Å
258	A	98.1	Very high	97.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64	-45	173.9	0	0	0	0	0	112.1	W186 F195 I230 D254 A255 V256 K261 N262	W186-A258 HydrophobicContact CH2-CB 4.42Å; F195-A258 HydrophobicContact CB-CB 3.96Å; I230-A258 HydrophobicContact CB-CB 4.22Å; I230-A258 HydrophobicContact CG2-CB 3.89Å; D254-A258 WeakPolarHBondContact O-CB 3.16Å; D254-A258 PolarHBondContact O-N 2.93Å; A255-A258 PolarHBondContact O-N 2.82Å; V256-A258 VanDerWaalsContact C-N 3.32Å; V256-A258 PolarHBondContact O-N 3.45Å; A258-K261 WeakPolarHBondContact O-CB 3.03Å; A258-K261 PolarHBondContact O-N 3.37Å; A258-N262 WeakPolarHBondContact O-CB 3.38Å; A258-N262 PolarHBondContact O-N 2.91Å; A258-N262 PolarHBondContact O-ND2 2.87Å; A258-N262 VanDerWaalsContact O-ND2 3.13Å
259	L	98.4	Very high	97.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-59.9	-46.6	177.1	172.8	58.3	0	0	0	111.3	A228 G231 T234 A248 A255 V256 K261 N262 L263 I274	A228-L259 HydrophobicContact CB-CD2 4.03Å; G231-L259 VanDerWaalsContact CA-CD1 3.49Å; T234-L259 HydrophobicContact CG2-CD1 4.23Å; A248-L259 HydrophobicContact CB-CD2 3.8Å; A255-L259 VanDerWaalsContact O-CB 3.31Å; A255-L259 WeakPolarHBondContact O-CB 3.46Å; A255-L259 PolarHBondContact O-N 3.43Å; V256-L259 PolarHBondContact O-N 2.95Å; L259-K261 VanDerWaalsContact C-N 3.31Å; L259-K261 PolarHBondContact O-N 2.75Å; L259-N262 PolarHBondContact O-N 2.86Å; L259-N262 VanDerWaalsContact O-N 3.08Å; L259-L263 HydrophobicContact CD1-CD1 4.29Å; L259-L263 HydrophobicContact CD1-CD2 4.45Å; L259-L263 HydrophobicContact CD1-CG 4.08Å; L259-L263 HydrophobicContact CG-CD1 4.27Å; L259-L263 WeakPolarHBondContact O-CG 3.4Å; L259-L263 PolarHBondContact O-N 2.74Å; L259-I274 HydrophobicContact CB-CD1 4.25Å; L259-I274 HydrophobicContact CD2-CD1 3.87Å; L259-I274 HydrophobicContact CD2-CG1 3.8Å; L259-I274 HydrophobicContact CD2-CG2 4.16Å; L259-I274 HydrophobicContact CG-CD1 3.72Å; L259-I274 HydrophobicContact CG-CG1 4.11Å
260	Q	98.5	Very high	97.7	Very high	102 Å²	102	45.6 Å²	45.6	48%	0.477	25%	0.25	S	S	.	.	H	α-helix	trans	-53	-50.8	175.1	-171.3	96.1	35.2	0	0	110.6	V256 N262 L263 E264 I274	V256-Q260 PolarHBondContact O-N 2.88Å; Q260-N262 VanDerWaalsContact C-N 3.31Å; Q260-N262 PolarHBondContact O-N 2.94Å; Q260-L263 PolarHBondContact O-N 2.74Å; Q260-E264 WeakPolarHBondContact O-CG 3.37Å; Q260-E264 PolarHBondContact O-N 3.18Å; Q260-I274 HydrophobicContact CB-CD1 4.15Å
261	K	97.9	Very high	97.8	Very high	85 Å²	85	48 Å²	48	37%	0.37	26%	0.258	S	S	.	.	H	α-helix	trans	-61	-40.4	177.7	-167.3	-178.3	-167.8	-169	0	112.3	W186 E194 A257 A258 L259 L263 E264 V265	W186-K261 HydrophobicContact CZ3-CD 3.91Å; E194-K261 HydrophobicContact CB-CD 4.12Å; E194-K261 WeakPolarHBondContact OE2-CE 3.38Å; E194-K261 IonicContact OE2-NZ 3.85Å; E194-K261 PolarHBondContact OE2-NZ 3.29Å; A257-K261 PolarHBondContact O-N 3.15Å; A258-K261 WeakPolarHBondContact O-CB 3.03Å; A258-K261 PolarHBondContact O-N 3.37Å; L259-K261 VanDerWaalsContact C-N 3.31Å; L259-K261 PolarHBondContact O-N 2.75Å; K261-L263 VanDerWaalsContact C-N 3.35Å; K261-E264 WeakPolarHBondContact O-CB 3.29Å; K261-E264 PolarHBondContact O-N 2.71Å; K261-V265 HydrophobicContact CG-CG2 4.47Å; K261-V265 WeakPolarHBondContact O-CG2 3.42Å; K261-V265 PolarHBondContact O-N 2.77Å
262	N	98.1	Very high	97.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.1	-33.9	-178.9	-67.2	-23.6	0	0	0	112.2	E194 I230 L235 A258 L259 Q260 N266	E194-N262 WeakPolarHBondContact CA-OD1 3.48Å; E194-N262 PolarHBondContact N-OD1 3.33Å; E194-N262 PolarHBondContact O-ND2 3.44Å; E194-N262 PolarHBondContact O-OD1 3.34Å; I230-N262 PolarHBondContact O-ND2 3.11Å; L235-N262 HydrophobicContact CD1-CB 3.85Å; A258-N262 WeakPolarHBondContact O-CB 3.38Å; A258-N262 PolarHBondContact O-N 2.91Å; A258-N262 PolarHBondContact O-ND2 2.87Å; A258-N262 VanDerWaalsContact O-ND2 3.13Å; L259-N262 PolarHBondContact O-N 2.86Å; L259-N262 VanDerWaalsContact O-N 3.08Å; Q260-N262 VanDerWaalsContact C-N 3.31Å; Q260-N262 PolarHBondContact O-N 2.94Å; N262-N266 WeakPolarHBondContact O-CB 3.5Å; N262-N266 PolarHBondContact O-N 2.74Å; N262-N266 VanDerWaalsContact O-N 3.12Å; N262-N266 PolarHBondContact O-ND2 3.15Å
263	L	98.4	Very high	98	Very high	4 Å²	4	46 Å²	46	2%	0.021	26%	0.258	C	S	.	.	H	α-helix	trans	-62.9	-45	172.2	-68.5	167.3	0	0	0	111.4	L235 L238 L259 Q260 K261 N266 G267 V268 P269 C272 I274	L235-L263 HydrophobicContact CD2-CD2 3.97Å; L238-L263 HydrophobicContact CD1-CD2 3.54Å; L259-L263 HydrophobicContact CD1-CD1 4.29Å; L259-L263 HydrophobicContact CD1-CD2 4.45Å; L259-L263 HydrophobicContact CD1-CG 4.08Å; L259-L263 HydrophobicContact CG-CD1 4.27Å; L259-L263 WeakPolarHBondContact O-CG 3.4Å; L259-L263 PolarHBondContact O-N 2.74Å; Q260-L263 PolarHBondContact O-N 2.74Å; K261-L263 VanDerWaalsContact C-N 3.35Å; L263-N266 CarbonylContact O-C 3.57Å; L263-N266 PolarHBondContact O-N 3.45Å; L263-G267 PolarHBondContact O-N 3.11Å; L263-V268 HydrophobicContact CD2-CG2 3.92Å; L263-V268 PolarHBondContact O-N 3.41Å; L263-P269 HydrophobicContact CB-CB 4.32Å; L263-C272 HydrophobicContact CD1-CB 3.73Å; L263-C272 HydrophobicContact CD2-CB 3.51Å; L263-C272 HydrophobicContact CG-CB 4.28Å; L263-I274 HydrophobicContact CD1-CD1 3.93Å; L263-I274 HydrophobicContact CD1-CG1 4.09Å
264	E	97.8	Very high	98.1	Very high	111 Å²	111	43.3 Å²	43.3	52%	0.519	24%	0.239	S	C	.	.	H	α-helix	trans	-61	-50.5	176.7	-64.2	-65.9	165.8	0	0	111.8	Q260 K261 N266 G267	Q260-E264 WeakPolarHBondContact O-CG 3.37Å; Q260-E264 PolarHBondContact O-N 3.18Å; K261-E264 WeakPolarHBondContact O-CB 3.29Å; K261-E264 PolarHBondContact O-N 2.71Å; E264-N266 PolarHBondContact O-N 2.98Å; E264-G267 PolarHBondContact O-N 2.68Å
265	V	96.4	Very high	98.1	Very high	59 Å²	59	43.4 Å²	43.4	36%	0.358	24%	0.238	S	C	.	.	H	α-helix	trans	-62.4	-28	-179	172.3	0	0	0	0	112.2	N192 K261	N192-V265 HydrophobicContact CB-CG1 4.08Å; K261-V265 HydrophobicContact CG-CG2 4.47Å; K261-V265 WeakPolarHBondContact O-CG2 3.42Å; K261-V265 PolarHBondContact O-N 2.77Å
266	N	96.8	Very high	98.2	Very high	38 Å²	38	47.9 Å²	47.9	20%	0.203	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	3.5	177.7	-69.3	-82.9	0	0	0	113.4	N192 L235 V239 N262 L263 E264 V268	N192-N266 WeakPolarHBondContact CB-OD1 3.42Å; N192-N266 PolarHBondContact O-ND2 3.46Å; L235-N266 HydrophobicContact CD2-CB 4.3Å; V239-N266 HydrophobicContact CG2-CB 4.18Å; N262-N266 WeakPolarHBondContact O-CB 3.5Å; N262-N266 PolarHBondContact O-N 2.74Å; N262-N266 VanDerWaalsContact O-N 3.12Å; N262-N266 PolarHBondContact O-ND2 3.15Å; L263-N266 CarbonylContact O-C 3.57Å; L263-N266 PolarHBondContact O-N 3.45Å; E264-N266 PolarHBondContact O-N 2.98Å; N266-V268 HydrophobicContact CB-CG2 4.3Å; N266-V268 PolarHBondContact O-N 2.98Å
267	G	97.4	Very high	98.1	Very high	51 Å²	51	48.2 Å²	48.2	53%	0.526	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.2	36.4	174.5	0	0	0	0	0	114.1	L263 E264 P269	L263-G267 PolarHBondContact O-N 3.11Å; E264-G267 PolarHBondContact O-N 2.68Å; G267-P269 VanDerWaalsContact C-CD 3.45Å
268	V	98.2	Very high	98	Very high	7 Å²	7	47 Å²	47	4%	0.042	26%	0.261	C	S	.	.			trans	-131.4	26.4	177.2	-65.1	0	0	0	0	115	L235 L238 V239 L263 N266 E270 R271	L235-V268 HydrophobicContact CD2-CG2 4.27Å; L238-V268 HydrophobicContact CB-CB 4.31Å; L238-V268 HydrophobicContact CB-CG1 4.36Å; L238-V268 HydrophobicContact CB-CG2 4.08Å; L238-V268 HydrophobicContact CD1-CB 4.37Å; L238-V268 HydrophobicContact CD1-CG2 3.82Å; L238-V268 HydrophobicContact CG-CG2 4.5Å; V239-V268 HydrophobicContact CG2-CG1 4.3Å; V239-V268 HydrophobicContact CG2-CG2 4.45Å; L263-V268 HydrophobicContact CD2-CG2 3.92Å; L263-V268 PolarHBondContact O-N 3.41Å; N266-V268 HydrophobicContact CB-CG2 4.3Å; N266-V268 PolarHBondContact O-N 2.98Å; V268-E270 VanDerWaalsContact C-N 3.27Å; V268-E270 PolarHBondContact O-N 3.09Å; V268-R271 PolarHBondContact O-N 3.18Å
269	P	98.3	Very high	98	Very high	36 Å²	36	47.8 Å²	47.8	23%	0.234	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-62	-33.3	-178	29.6	-36.7	0	0	0	113.2	L263 G267 R271 C272	L263-P269 HydrophobicContact CB-CB 4.32Å; G267-P269 VanDerWaalsContact C-CD 3.45Å; P269-R271 VanDerWaalsContact C-N 3.27Å; P269-R271 PolarHBondContact O-N 2.89Å; P269-C272 PolarHBondContact O-N 3.36Å
270	E	98.4	Very high	97.8	Very high	130 Å²	130	53.6 Å²	53.6	61%	0.607	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-73	-18	-177.9	73.3	-63.8	153.4	0	0	114.1	V268	V268-E270 VanDerWaalsContact C-N 3.27Å; V268-E270 PolarHBondContact O-N 3.09Å
271	R	98.7	Very high	97.7	Very high	67 Å²	67	55.2 Å²	55.2	25%	0.253	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-99.9	7.7	-179.8	-72.3	171	54.7	-151.2	-6	113.1	L238 A243 S244 H245 V246 V268 P269	L238-R271 HydrophobicContact CD2-CB 3.75Å; L238-R271 VanDerWaalsContact CD2-O 3.3Å; L238-R271 WeakPolarHBondContact CD2-O 3.21Å; L238-R271 PolarHBondContact O-NH1 2.78Å; L238-R271 PolarHBondContact O-NH2 3.18Å; A243-R271 PolarHBondContact O-NE 2.83Å; A243-R271 PolarHBondContact O-NH2 2.59Å; S244-R271 PolarHBondContact O-NE 2.91Å; H245-R271 CarbonylContact C-O 3.47Å; H245-R271 WeakPolarHBondContact CA-O 3.5Å; H245-R271 PolarHBondContact ND1-O 2.79Å; V246-R271 PolarHBondContact N-O 2.93Å; V268-R271 PolarHBondContact O-N 3.18Å; P269-R271 VanDerWaalsContact C-N 3.27Å; P269-R271 PolarHBondContact O-N 2.89Å
272	C	98.9	Very high	97.6	Very high	14 Å²	14	51.8 Å²	51.8	10%	0.095	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.8	178.2	-169	0	0	0	0	111.7	L238 V246 L263 P269	L238-C272 HydrophobicContact CD1-CB 3.89Å; V246-C272 CarbonylContact O-C 3.46Å; V246-C272 VanDerWaalsContact O-CA 3.23Å; V246-C272 WeakPolarHBondContact O-CA 3.22Å; V246-C272 PolarHBondContact O-SG 2.78Å; L263-C272 HydrophobicContact CD1-CB 3.73Å; L263-C272 HydrophobicContact CD2-CB 3.51Å; L263-C272 HydrophobicContact CG-CB 4.28Å; P269-C272 PolarHBondContact O-N 3.36Å
273	T	98.8	Very high	97.5	Very high	56 Å²	56	59.9 Å²	59.9	34%	0.344	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	116.7	167.7	-53.5	0	0	0	0	108.7	H245 V246 H247 A248 H275	H245-T273 PolarHBondContact CE1-OG1 2.82Å; H245-T273 PolarHBondContact NE2-OG1 2.8Å; V246-T273 PolarHBondContact O-N 2.72Å; H247-T273 CarbonylContact C-O 3.55Å; H247-T273 WeakPolarHBondContact CA-O 3.42Å; A248-T273 PolarHBondContact N-O 2.9Å; T273-H275 PolarHBondContact O-CD2 3.46Å
274	I	98.8	Very high	97.4	Very high	28 Å²	28	61.1 Å²	61.1	14%	0.144	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	134.4	173.6	-51.9	174.4	0	0	0	108.6	A248 V256 L259 Q260 L263 P276	A248-I274 CarbonylContact O-C 3.58Å; A248-I274 WeakPolarHBondContact O-CA 3.47Å; V256-I274 HydrophobicContact CG1-CG2 4.08Å; V256-I274 HydrophobicContact CG2-CG2 4.25Å; L259-I274 HydrophobicContact CB-CD1 4.25Å; L259-I274 HydrophobicContact CD2-CD1 3.87Å; L259-I274 HydrophobicContact CD2-CG1 3.8Å; L259-I274 HydrophobicContact CD2-CG2 4.16Å; L259-I274 HydrophobicContact CG-CD1 3.72Å; L259-I274 HydrophobicContact CG-CG1 4.11Å; Q260-I274 HydrophobicContact CB-CD1 4.15Å; L263-I274 HydrophobicContact CD1-CD1 3.93Å; L263-I274 HydrophobicContact CD1-CG1 4.09Å; I274-P276 HydrophobicContact CG2-CG 4.43Å; I274-P276 WeakPolarHBondContact O-CD 3.32Å
275	H	98.6	Very high	97.4	Very high	43 Å²	43	59.4 Å²	59.4	20%	0.199	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	93.5	172.5	-61.2	-83.8	0	0	0	108.5	H247 A248 E250 T273 V282 L284	H247-H275 AromaticContact CG-NE2 3.62Å; H247-H275 AromaticContact ND1-CE1 3.94Å; H247-H275 AromaticContact ND1-NE2 3.09Å; H247-H275 PolarHBondContact ND1-NE2 3.04Å; A248-H275 PolarHBondContact O-N 2.91Å; E250-H275 PolarHBondContact N-O 3.36Å; T273-H275 PolarHBondContact O-CD2 3.46Å; H275-V282 HydrophobicContact CB-CG2 4.2Å; H275-L284 WeakPolarHBondContact NE2-CD1 3.35Å
276	P	98.3	Very high	97.4	Very high	97 Å²	97	60 Å²	60	63%	0.63	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	134.6	177.7	-20.5	33.7	0	0	0	111.2	E250 V256 I274	E250-P276 CarbonylContact O-C 3.5Å; E250-P276 VanDerWaalsContact O-CA 3.29Å; E250-P276 WeakPolarHBondContact O-CA 3.34Å; V256-P276 HydrophobicContact CG1-CG 4.28Å; V256-P276 HydrophobicContact CG2-CB 4.28Å; I274-P276 HydrophobicContact CG2-CG 4.43Å; I274-P276 WeakPolarHBondContact O-CD 3.32Å
277	G	97.1	Very high	97.5	Very high	30 Å²	30	60.6 Å²	60.6	31%	0.309	33%	0.329	S	S	.	.	S	Bend	trans	111.1	-170.8	175.6	0	0	0	0	0	113.7	E250 W251 N279	E250-G277 PolarHBondContact O-N 2.9Å; W251-G277 VanDerWaalsContact CB-C 3.47Å; W251-G277 WeakPolarHBondContact CB-O 3.09Å; G277-N279 PolarHBondContact O-N 2.96Å
278	D	96.4	Very high	97.5	Very high	30 Å²	30	58.1 Å²	58.1	16%	0.16	30%	0.304	C	S	.	.			trans	-66.4	123	-176.4	-174.1	-18.1	0	0	0	110.9	R280 Q281	D278-R280 PolarHBondContact O-N 3.48Å; D278-R280 WeakPolarHBondContact OD1-CB 3.45Å; D278-R280 WeakPolarHBondContact OD1-CG 3.2Å; D278-R280 IonicContact OD1-CZ 3.79Å; D278-R280 PolarHBondContact OD1-N 2.91Å; D278-R280 IonicContact OD1-NE 3.83Å; D278-R280 PolarHBondContact OD1-NE 2.88Å; D278-R280 IonicContact OD1-NH2 2.91Å; D278-R280 IonicContact OD2-CZ 3.93Å; D278-R280 IonicContact OD2-NE 3.05Å; D278-R280 PolarHBondContact OD2-NE 3.27Å; D278-R280 IonicContact OD2-NH2 3.97Å; D278-R280 PolarHBondContact OD2-NH2 3.11Å; D278-Q281 HydrophobicContact CB-CG 4.22Å; D278-Q281 WeakPolarHBondContact O-CB 3.23Å; D278-Q281 PolarHBondContact O-N 2.85Å
279	N	96.9	Very high	97.6	Very high	16 Å²	16	59.1 Å²	59.1	9%	0.086	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-58.5	-23.3	-179.3	70	56.3	0	0	0	113.1	L226 Y227 C249 G277 Q281 V282	L226-N279 HydrophobicContact CD2-CB 4.15Å; L226-N279 PolarHBondContact O-ND2 3.28Å; Y227-N279 WeakPolarHBondContact CE1-ND2 3.34Å; C249-N279 HydrophobicContact CB-CB 3.71Å; G277-N279 PolarHBondContact O-N 2.96Å; N279-Q281 PolarHBondContact O-N 2.94Å; N279-V282 WeakPolarHBondContact O-CB 3.26Å; N279-V282 WeakPolarHBondContact O-CG1 3.28Å; N279-V282 PolarHBondContact O-N 2.88Å
280	R	95.8	Very high	97.6	Very high	121 Å²	121	58.8 Å²	58.8	46%	0.457	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-67.3	-21.4	177	-62	174.5	-66.3	-175.8	4.2	112.8	D278 D301 I305	D278-R280 PolarHBondContact O-N 3.48Å; D278-R280 WeakPolarHBondContact OD1-CB 3.45Å; D278-R280 WeakPolarHBondContact OD1-CG 3.2Å; D278-R280 IonicContact OD1-CZ 3.79Å; D278-R280 PolarHBondContact OD1-N 2.91Å; D278-R280 IonicContact OD1-NE 3.83Å; D278-R280 PolarHBondContact OD1-NE 2.88Å; D278-R280 IonicContact OD1-NH2 2.91Å; D278-R280 IonicContact OD2-CZ 3.93Å; D278-R280 IonicContact OD2-NE 3.05Å; D278-R280 PolarHBondContact OD2-NE 3.27Å; D278-R280 IonicContact OD2-NH2 3.97Å; D278-R280 PolarHBondContact OD2-NH2 3.11Å; R280-D301 IonicContact NH1-OD2 3.81Å; R280-I305 HydrophobicContact CB-CD1 4.39Å; R280-I305 HydrophobicContact CG-CG1 4.34Å
281	Q	96.3	Very high	97.6	Very high	137 Å²	137	52.6 Å²	52.6	64%	0.64	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-94	-5.6	-179.4	-58.6	-178.2	0.5	0	0	112.8	D278 N279 Q283	D278-Q281 HydrophobicContact CB-CG 4.22Å; D278-Q281 WeakPolarHBondContact O-CB 3.23Å; D278-Q281 PolarHBondContact O-N 2.85Å; N279-Q281 PolarHBondContact O-N 2.94Å; Q281-Q283 PolarHBondContact O-N 2.86Å; Q281-Q283 PolarHBondContact O-NE2 2.98Å
282	V	95.6	Very high	97.6	Very high	13 Å²	13	49.4 Å²	49.4	8%	0.079	26%	0.262	C	S	.	.			trans	-62.5	130.5	-178.4	81.5	0	0	0	0	110.7	H275 N279 L284 I305 R308	H275-V282 HydrophobicContact CB-CG2 4.2Å; N279-V282 WeakPolarHBondContact O-CB 3.26Å; N279-V282 WeakPolarHBondContact O-CG1 3.28Å; N279-V282 PolarHBondContact O-N 2.88Å; V282-L284 VanDerWaalsContact C-N 3.28Å; V282-L284 HydrophobicContact CG2-CB 4.41Å; V282-L284 HydrophobicContact CG2-CD1 3.91Å; V282-L284 HydrophobicContact CG2-CG 3.88Å; V282-L284 PolarHBondContact O-N 3.22Å; V282-I305 HydrophobicContact CG1-CG2 3.98Å; V282-R308 VanDerWaalsContact O-CZ 3.3Å; V282-R308 PolarHBondContact O-NH1 3.49Å; V282-R308 PolarHBondContact O-NH2 2.89Å
283	Q	95.2	Very high	97.6	Very high	169 Å²	169	48.8 Å²	48.8	79%	0.79	26%	0.257	S	S	*	.			trans	-93.7	31.4	-176.3	-61.3	-62.2	-35.7	0	0	112.8	Q281	Q281-Q283 PolarHBondContact O-N 2.86Å; Q281-Q283 PolarHBondContact O-NE2 2.98Å
284	L	96.9	Very high	97.5	Very high	30 Å²	30	47 Å²	47	16%	0.157	25%	0.25	C	S	.	.			trans	-91.6	148.1	175.6	-64.4	174.3	0	0	0	111.1	H247 H275 V282 I287 R308 L309	H247-L284 HydrophobicContact CB-CD1 4.01Å; H275-L284 WeakPolarHBondContact NE2-CD1 3.35Å; V282-L284 VanDerWaalsContact C-N 3.28Å; V282-L284 HydrophobicContact CG2-CB 4.41Å; V282-L284 HydrophobicContact CG2-CD1 3.91Å; V282-L284 HydrophobicContact CG2-CG 3.88Å; V282-L284 PolarHBondContact O-N 3.22Å; L284-I287 HydrophobicContact CB-CG2 4.45Å; L284-R308 PolarHBondContact O-NH1 3.35Å; L284-L309 HydrophobicContact CB-CD2 3.37Å; L284-L309 HydrophobicContact CD1-CD2 4.34Å
285	C	97.1	Very high	97.3	Very high	76 Å²	76	48 Å²	48	51%	0.514	26%	0.255	S	S	.	.			trans	-155.8	154.6	172.7	62.6	0	0	0	0	110.4	I287 R308	C285-I287 VanDerWaalsContact C-N 3.28Å; C285-I287 PolarHBondContact O-N 3.38Å; C285-I287 VanDerWaalsContact O-N 3.16Å; C285-R308 WeakPolarHBondContact CA-O 3.39Å; C285-R308 HydrophobicContact CB-CG 3.89Å
286	N	97.2	Very high	97	Very high	70 Å²	70	46.4 Å²	46.4	37%	0.374	25%	0.248	S	C	.	.	S	Bend	trans	52.5	40.8	169.8	-174	44.2	0	0	0	114.5	R308 L309 L310 K311 K312	N286-R308 PolarHBondContact N-O 2.74Å; N286-L309 PolarHBondContact N-O 2.88Å; N286-L310 WeakPolarHBondContact CA-O 3.25Å; N286-K311 VanDerWaalsContact OD1-CA 3.25Å; N286-K311 WeakPolarHBondContact OD1-CA 3.47Å; N286-K312 HydrophobicContact CB-CG 4.34Å; N286-K312 PolarHBondContact OD1-N 2.91Å
287	I	98.3	Very high	96.8	Very high	51 Å²	51	45.7 Å²	45.7	26%	0.262	24%	0.244	S	C	.	.			trans	-125.9	-27.5	-171.5	-165	164.5	0	0	0	113.3	T222 V224 H247 L284 C285 L309 K311	T222-I287 WeakPolarHBondContact CB-O 3.02Å; T222-I287 HydrophobicContact CG2-CG1 4.14Å; V224-I287 HydrophobicContact CG2-CG2 4.43Å; H247-I287 WeakPolarHBondContact NE2-CD1 3.45Å; L284-I287 HydrophobicContact CB-CG2 4.45Å; C285-I287 VanDerWaalsContact C-N 3.28Å; C285-I287 PolarHBondContact O-N 3.38Å; C285-I287 VanDerWaalsContact O-N 3.16Å; I287-L309 HydrophobicContact CG2-CD2 4.29Å; I287-L309 PolarHBondContact N-O 3.4Å; I287-K311 VanDerWaalsContact O-CE 3.22Å; I287-K311 WeakPolarHBondContact O-CE 3.15Å
288	A	98.6	Very high	96.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-93.1	132.6	-167.8	0	0	0	0	0	112.3	V224 R290 V291 L309 L310 K311	V224-A288 HydrophobicContact CG2-CB 3.68Å; A288-R290 VanDerWaalsContact C-N 3.33Å; A288-V291 HydrophobicContact CB-CG2 3.81Å; A288-L309 HydrophobicContact CB-CB 4.19Å; A288-L309 WeakPolarHBondContact CB-O 3.36Å; A288-L309 PolarHBondContact N-O 2.78Å; A288-L310 HydrophobicContact CB-CD2 4.33Å; A288-L310 WeakPolarHBondContact O-CA 3.3Å; A288-K311 PolarHBondContact O-N 3.02Å; A288-K311 VanDerWaalsContact O-N 3.09Å
289	D	98.9	Very high	96.8	Very high	28 Å²	28	45.3 Å²	45.3	15%	0.15	24%	0.237	C	C	.	.	S	Bend	trans	-81.2	-23.5	161.3	-58.5	-73.3	0	0	0	110.5	E221 T222 K311 G316 V317	E221-D289 WeakPolarHBondContact CA-OD2 3.47Å; E221-D289 HydrophobicContact CB-CB 3.91Å; E221-D289 HydrophobicContact CG-CB 3.98Å; T222-D289 PolarHBondContact N-OD2 2.86Å; T222-D289 PolarHBondContact O-N 3.5Å; D289-K311 WeakPolarHBondContact OD1-CE 3.06Å; D289-K311 IonicContact OD1-NZ 3.11Å; D289-K311 PolarHBondContact OD1-NZ 3.01Å; D289-K311 IonicContact OD2-NZ 3.44Å; D289-K311 PolarHBondContact OD2-NZ 2.85Å; D289-G316 CarbonylContact O-C 3.55Å; D289-G316 WeakPolarHBondContact O-CA 3.3Å; D289-V317 PolarHBondContact O-N 2.69Å
290	R	98.8	Very high	96.8	Very high	29 Å²	29	47.6 Å²	47.6	11%	0.109	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	140	-175.9	-166.9	176.3	-59.5	-72.5	-6.6	111.8	E221 T222 V223 V224 A288 V317 H319	E221-R290 IonicContact OE1-CZ 3.76Å; E221-R290 IonicContact OE1-NH2 3.97Å; E221-R290 PolarHBondContact OE1-NH2 3.44Å; E221-R290 IonicContact OE2-CZ 3.97Å; E221-R290 IonicContact OE2-NE 3.92Å; E221-R290 PolarHBondContact OE2-NE 3.42Å; E221-R290 IonicContact OE2-NH2 3.26Å; E221-R290 PolarHBondContact OE2-NH2 2.84Å; E221-R290 VanDerWaalsContact OE2-NH2 3.11Å; T222-R290 PolarHBondContact O-N 3.4Å; V223-R290 CarbonylContact C-O 3.52Å; V223-R290 WeakPolarHBondContact CA-O 3.21Å; V223-R290 HydrophobicContact CG1-CB 4.3Å; V223-R290 HydrophobicContact CG1-CG 4.48Å; V223-R290 HydrophobicContact CG2-CB 4.2Å; V224-R290 PolarHBondContact N-O 2.8Å; A288-R290 VanDerWaalsContact C-N 3.33Å; R290-V317 CarbonylContact C-O 3.46Å; R290-V317 VanDerWaalsContact CA-O 3.26Å; R290-V317 WeakPolarHBondContact CA-O 3.49Å; R290-H319 WeakPolarHBondContact CD-NE2 3.23Å; R290-H319 WeakPolarHBondContact CG-CD2 3.48Å; R290-H319 VanDerWaalsContact CG-NE2 3.28Å; R290-H319 WeakPolarHBondContact CG-NE2 3.31Å; R290-H319 PolarHBondContact NH1-CE1 3.42Å; R290-H319 PolarHBondContact NH1-NE2 3.14Å
291	V	98.9	Very high	96.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	125	174.3	-173.4	0	0	0	0	109.8	V224 L226 A288 L293 A306 L309 L310 V317 L318 H319	V224-V291 HydrophobicContact CB-CG1 4.43Å; V224-V291 HydrophobicContact CB-CG2 4.4Å; V224-V291 CarbonylContact O-C 3.51Å; V224-V291 WeakPolarHBondContact O-CA 3.44Å; L226-V291 HydrophobicContact CD1-CG1 3.91Å; L226-V291 HydrophobicContact CG-CG1 3.87Å; A288-V291 HydrophobicContact CB-CG2 3.81Å; V291-L293 HydrophobicContact CB-CD1 4.41Å; V291-L293 HydrophobicContact CG1-CD1 4.03Å; V291-L293 HydrophobicContact CG1-CG 4.35Å; V291-A306 HydrophobicContact CB-CB 4.29Å; V291-A306 HydrophobicContact CG1-CB 3.82Å; V291-L309 HydrophobicContact CG1-CD1 4.42Å; V291-L309 HydrophobicContact CG2-CB 4.07Å; V291-L309 HydrophobicContact CG2-CD1 4.42Å; V291-L310 HydrophobicContact CG2-CD2 3.8Å; V291-V317 PolarHBondContact N-O 3.46Å; V291-L318 HydrophobicContact CB-CD2 3.75Å; V291-L318 HydrophobicContact CG2-CD2 4Å; V291-H319 PolarHBondContact O-N 3.11Å
292	N	98.9	Very high	96.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117.9	176.1	-174.8	76.4	0	0	0	110.2	V224 D225 L226 Y237	V224-N292 PolarHBondContact O-N 3.03Å; D225-N292 PolarHBondContact OD1-ND2 2.97Å; L226-N292 PolarHBondContact N-O 3.17Å; Y237-N292 HydrophobicContact CE2-CB 3.85Å
293	L	98.5	Very high	97	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	67.4	178.2	-62	101	0	0	0	110.3	L226 Y227 V291 L295 A306 L318 H319 I320 H321	L226-L293 HydrophobicContact CD1-CD2 3.94Å; L226-L293 HydrophobicContact CD1-CG 4.05Å; Y227-L293 HydrophobicContact CE2-CB 4.38Å; V291-L293 HydrophobicContact CB-CD1 4.41Å; V291-L293 HydrophobicContact CG1-CD1 4.03Å; V291-L293 HydrophobicContact CG1-CG 4.35Å; L293-L295 PolarHBondContact O-N 2.81Å; L293-A306 HydrophobicContact CD1-CB 4Å; L293-A306 HydrophobicContact CD2-CB 3.98Å; L293-A306 HydrophobicContact CG-CB 4.37Å; L293-L318 HydrophobicContact CD1-CB 4.29Å; L293-H319 WeakPolarHBondContact CB-O 3.43Å; L293-H319 PolarHBondContact N-O 2.93Å; L293-I320 HydrophobicContact CD1-CG1 3.89Å; L293-H321 VanDerWaalsContact O-CB 3.3Å; L293-H321 WeakPolarHBondContact O-CB 3.31Å; L293-H321 PolarHBondContact O-CD2 3.17Å; L293-H321 PolarHBondContact O-N 2.89Å; L293-H321 VanDerWaalsContact O-N 3.14Å
294	G	95.8	Very high	97.2	Very high	19 Å²	19	34.7 Å²	34.7	20%	0.196	20%	0.199	C	C	.	.			trans	-72.5	25.9	-173.3	0	0	0	0	0	117.6
295	L	94.8	Very high	97.2	Very high	48 Å²	48	34.1 Å²	34.1	25%	0.251	20%	0.195	S	C	.	.			trans	-102.8	135.5	-177.1	-173	66.1	0	0	0	112.6	Y227 L293 T298	Y227-L295 HydrophobicContact CD1-CB 3.93Å; Y227-L295 HydrophobicContact CD1-CD1 4.41Å; Y227-L295 HydrophobicContact CD1-CD2 3.98Å; Y227-L295 HydrophobicContact CD1-CG 4.32Å; Y227-L295 HydrophobicContact CD2-CB 3.69Å; Y227-L295 HydrophobicContact CE1-CB 3.95Å; Y227-L295 HydrophobicContact CE1-CD2 3.48Å; Y227-L295 VanDerWaalsContact CE1-CD2 3.48Å; Y227-L295 HydrophobicContact CE1-CG 4.23Å; Y227-L295 HydrophobicContact CE2-CB 3.71Å; Y227-L295 HydrophobicContact CG-CB 3.79Å; L293-L295 PolarHBondContact O-N 2.81Å; L295-T298 WeakPolarHBondContact CD2-O 3.38Å; L295-T298 WeakPolarHBondContact CG-O 3.29Å; L295-T298 CarbonylContact O-C 3.54Å
296	I	93.8	Very high	97.3	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.051	17%	0.171	C	C	.	.	S	Bend	trans	-125.2	147.2	170.4	61.3	172.3	0	0	0	109.8	R173 H321 Y387	R173-I296 PolarHBondContact NH1-O 3.43Å; I296-H321 HydrophobicContact CG2-CB 4.12Å; I296-Y387 HydrophobicContact CD1-CD2 3.91Å; I296-Y387 HydrophobicContact CD1-CE2 3.61Å
297	P	93.8	Very high	97.3	Very high	83 Å²	83	27.4 Å²	27.4	54%	0.539	16%	0.155	S	C	.	.	S	Bend	cis	-76	-19.7	13.1	31	-36.2	0	0	0	115.3	Q322 N323	P297-Q322 PolarHBondContact O-NE2 2.85Å; P297-Q322 PolarHBondContact O-OE1 2.93Å; P297-N323 HydrophobicContact CB-CB 4.03Å; P297-N323 PolarHBondContact O-N 2.89Å
298	T	95.6	Very high	97.3	Very high	49 Å²	49	28 Å²	28	30%	0.301	15%	0.154	S	C	.	.			trans	-148.7	156.9	177.5	177.3	0	0	0	0	111.7	L295 E300 Q322	L295-T298 WeakPolarHBondContact CD2-O 3.38Å; L295-T298 WeakPolarHBondContact CG-O 3.29Å; L295-T298 CarbonylContact O-C 3.54Å; T298-E300 VanDerWaalsContact OG1-CG 3.29Å; T298-E300 WeakPolarHBondContact OG1-CG 3.41Å; T298-E300 PolarHBondContact OG1-N 3.1Å; T298-E300 VanDerWaalsContact OG1-N 3.11Å; T298-Q322 PolarHBondContact OG1-OE1 3.41Å; T298-Q322 VanDerWaalsContact OG1-OE1 3.07Å
299	S	96.9	Very high	97.3	Very high	2 Å²	2	28 Å²	28	1%	0.014	15%	0.154	C	C	.	.			trans	-118.9	16.5	173.3	55.1	0	0	0	0	113.1	D301 G302 W303 H321	S299-D301 VanDerWaalsContact C-N 3.3Å; S299-D301 PolarHBondContact O-N 2.85Å; S299-G302 WeakPolarHBondContact O-CA 3.36Å; S299-G302 PolarHBondContact O-N 3.2Å; S299-W303 PolarHBondContact O-NE1 2.8Å; S299-W303 PolarHBondContact OG-NE1 3.21Å; S299-H321 PolarHBondContact OG-O 2.92Å
300	E	97.6	Very high	97.2	Very high	65 Å²	65	26.8 Å²	26.8	30%	0.304	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-51.2	-41.9	-174.9	-83.9	179.4	-155.7	0	0	114.7	T298 G302 W303 R361	T298-E300 VanDerWaalsContact OG1-CG 3.29Å; T298-E300 WeakPolarHBondContact OG1-CG 3.41Å; T298-E300 PolarHBondContact OG1-N 3.1Å; T298-E300 VanDerWaalsContact OG1-N 3.11Å; E300-G302 PolarHBondContact O-N 3.19Å; E300-G302 VanDerWaalsContact O-N 3.13Å; E300-W303 HydrophobicContact CB-CD2 4.39Å; E300-W303 HydrophobicContact CB-CZ2 4.41Å; E300-W303 HydrophobicContact CG-CD2 4.01Å; E300-W303 HydrophobicContact CG-CE3 4.12Å; E300-W303 HydrophobicContact CG-CH2 3.48Å; E300-W303 VanDerWaalsContact CG-CH2 3.48Å; E300-W303 HydrophobicContact CG-CZ2 3.33Å; E300-W303 HydrophobicContact CG-CZ3 3.88Å; E300-W303 WeakPolarHBondContact O-CB 3.35Å; E300-W303 PolarHBondContact O-N 3.47Å; E300-R361 VanDerWaalsContact CD-NH2 3.26Å; E300-R361 IonicContact OE1-CZ 3.26Å; E300-R361 IonicContact OE1-NH1 2.75Å; E300-R361 PolarHBondContact OE1-NH1 3.38Å; E300-R361 IonicContact OE1-NH2 3.46Å; E300-R361 IonicContact OE2-CZ 2.77Å; E300-R361 IonicContact OE2-NH1 3.63Å; E300-R361 PolarHBondContact OE2-NH1 3.41Å; E300-R361 IonicContact OE2-NH2 2.74Å; E300-R361 PolarHBondContact OE2-NH2 3.2Å
301	D	96.4	Very high	97.2	Very high	115 Å²	115	27.8 Å²	27.8	62%	0.615	15%	0.152	S	C	*	.	G	3₁₀ helix	trans	-61.2	-22.9	177.1	-73.6	-1.8	0	0	0	113.1	R280 S299	R280-D301 IonicContact NH1-OD2 3.81Å; S299-D301 VanDerWaalsContact C-N 3.3Å; S299-D301 PolarHBondContact O-N 2.85Å
302	G	97.8	Very high	97	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-87.2	-11.7	176.4	0	0	0	0	0	114	S299 E300 I305 A306	S299-G302 WeakPolarHBondContact O-CA 3.36Å; S299-G302 PolarHBondContact O-N 3.2Å; E300-G302 PolarHBondContact O-N 3.19Å; E300-G302 VanDerWaalsContact O-N 3.13Å; G302-I305 WeakPolarHBondContact O-CB 3.24Å; G302-I305 PolarHBondContact O-N 3.15Å; G302-A306 PolarHBondContact O-N 3.16Å
303	W	98.3	Very high	96.8	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.015	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-44.4	-174.9	-63.8	2.5	0	0	0	113.6	S299 E300 I305 A306 C307 I320 T358 R361 I362 L365	S299-W303 PolarHBondContact O-NE1 2.8Å; S299-W303 PolarHBondContact OG-NE1 3.21Å; E300-W303 HydrophobicContact CB-CD2 4.39Å; E300-W303 HydrophobicContact CB-CZ2 4.41Å; E300-W303 HydrophobicContact CG-CD2 4.01Å; E300-W303 HydrophobicContact CG-CE3 4.12Å; E300-W303 HydrophobicContact CG-CH2 3.48Å; E300-W303 VanDerWaalsContact CG-CH2 3.48Å; E300-W303 HydrophobicContact CG-CZ2 3.33Å; E300-W303 HydrophobicContact CG-CZ3 3.88Å; E300-W303 WeakPolarHBondContact O-CB 3.35Å; E300-W303 PolarHBondContact O-N 3.47Å; W303-I305 PolarHBondContact O-N 3.01Å; W303-A306 PolarHBondContact O-N 3.33Å; W303-C307 PolarHBondContact O-N 3.35Å; W303-C307 PolarHBondContact O-SG 2.94Å; W303-I320 HydrophobicContact CZ2-CG2 4.22Å; W303-T358 HydrophobicContact CH2-CG2 3.66Å; W303-T358 HydrophobicContact CZ2-CG2 3.85Å; W303-T358 HydrophobicContact CZ3-CG2 4.19Å; W303-R361 HydrophobicContact CZ3-CB 4Å; W303-R361 VanDerWaalsContact CZ3-CZ 3.46Å; W303-I362 HydrophobicContact CB-CD1 3.87Å; W303-I362 HydrophobicContact CD2-CD1 4.07Å; W303-I362 HydrophobicContact CE3-CD1 4.11Å; W303-I362 HydrophobicContact CE3-CG1 4.47Å; W303-I362 HydrophobicContact CG-CD1 3.98Å; W303-L365 HydrophobicContact CB-CD1 3.74Å; W303-L365 HydrophobicContact CE3-CD1 4.5Å
304	P	97.9	Very high	96.7	Very high	49 Å²	49	42.6 Å²	42.6	32%	0.318	23%	0.233	S	C	.	.	H	α-helix	trans	-61.1	-35.2	175.9	-22.6	34.3	0	0	0	112.3	R308 L365	P304-R308 WeakPolarHBondContact O-CB 3.13Å; P304-R308 PolarHBondContact O-N 3.04Å; P304-R308 VanDerWaalsContact O-N 3.1Å; P304-L365 HydrophobicContact CB-CD2 4.47Å; P304-L365 HydrophobicContact CG-CD1 4.38Å; P304-L365 HydrophobicContact CG-CD2 4.06Å
305	I	98.3	Very high	96.8	Very high	18 Å²	18	41.7 Å²	41.7	9%	0.092	22%	0.224	C	C	.	.	H	α-helix	trans	-67.5	-48.2	177.1	-49.1	-57.2	0	0	0	109.9	L226 R280 V282 G302 W303 C307 R308 L309	L226-I305 HydrophobicContact CD2-CG2 4.1Å; R280-I305 HydrophobicContact CB-CD1 4.39Å; R280-I305 HydrophobicContact CG-CG1 4.34Å; V282-I305 HydrophobicContact CG1-CG2 3.98Å; G302-I305 WeakPolarHBondContact O-CB 3.24Å; G302-I305 PolarHBondContact O-N 3.15Å; W303-I305 PolarHBondContact O-N 3.01Å; I305-C307 VanDerWaalsContact C-N 3.34Å; I305-C307 PolarHBondContact O-N 3.38Å; I305-R308 WeakPolarHBondContact O-CB 3.43Å; I305-R308 PolarHBondContact O-N 3.09Å; I305-L309 HydrophobicContact CG2-CD1 3.97Å; I305-L309 HydrophobicContact CG2-CG 4.4Å; I305-L309 WeakPolarHBondContact O-CG 3.48Å; I305-L309 PolarHBondContact O-N 3.03Å
306	A	98.4	Very high	96.9	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58.4	-43.8	177.8	0	0	0	0	0	112.7	L226 V291 L293 G302 W303 R308 L309 L310 L318	L226-A306 HydrophobicContact CD1-CB 4.16Å; V291-A306 HydrophobicContact CB-CB 4.29Å; V291-A306 HydrophobicContact CG1-CB 3.82Å; L293-A306 HydrophobicContact CD1-CB 4Å; L293-A306 HydrophobicContact CD2-CB 3.98Å; L293-A306 HydrophobicContact CG-CB 4.37Å; G302-A306 PolarHBondContact O-N 3.16Å; W303-A306 PolarHBondContact O-N 3.33Å; A306-R308 PolarHBondContact O-N 2.86Å; A306-L309 PolarHBondContact O-N 3.43Å; A306-L310 PolarHBondContact O-N 2.91Å; A306-L318 HydrophobicContact CB-CD2 3.94Å
307	C	97.9	Very high	97.2	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.034	21%	0.212	C	C	.	.	H	α-helix	trans	-61.8	-43.1	175.7	-63.1	0	0	0	0	111.9	W303 I305 L309 L310 F366 L369	W303-C307 PolarHBondContact O-N 3.35Å; W303-C307 PolarHBondContact O-SG 2.94Å; I305-C307 VanDerWaalsContact C-N 3.34Å; I305-C307 PolarHBondContact O-N 3.38Å; C307-L309 VanDerWaalsContact C-N 3.27Å; C307-L309 PolarHBondContact O-N 3.39Å; C307-L310 PolarHBondContact O-N 2.77Å; C307-F366 HydrophobicContact CB-CD1 4.09Å; C307-F366 HydrophobicContact CB-CE1 3.7Å; C307-F366 HydrophobicContact CB-CE2 4.36Å; C307-F366 HydrophobicContact CB-CZ 3.83Å; C307-F366 WeakPolarHBondContact O-CE1 3.35Å; C307-L369 HydrophobicContact CB-CD1 3.55Å
308	R	97.4	Very high	97.4	Very high	65 Å²	65	35.4 Å²	35.4	25%	0.245	19%	0.187	C	C	.	.	H	α-helix	trans	-63.4	-30.8	176.6	175.8	175.5	60.3	115.8	-7	113.2	V282 L284 C285 N286 P304 I305 A306	V282-R308 VanDerWaalsContact O-CZ 3.3Å; V282-R308 PolarHBondContact O-NH1 3.49Å; V282-R308 PolarHBondContact O-NH2 2.89Å; L284-R308 PolarHBondContact O-NH1 3.35Å; C285-R308 WeakPolarHBondContact CA-O 3.39Å; C285-R308 HydrophobicContact CB-CG 3.89Å; N286-R308 PolarHBondContact N-O 2.74Å; P304-R308 WeakPolarHBondContact O-CB 3.13Å; P304-R308 PolarHBondContact O-N 3.04Å; P304-R308 VanDerWaalsContact O-N 3.1Å; I305-R308 WeakPolarHBondContact O-CB 3.43Å; I305-R308 PolarHBondContact O-N 3.09Å; A306-R308 PolarHBondContact O-N 2.86Å
309	L	98.4	Very high	97.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-76.4	-30.9	-176.9	-72.4	167.5	0	0	0	113.4	V224 L226 L284 N286 I287 A288 V291 I305 A306 C307	V224-L309 HydrophobicContact CB-CD1 4.13Å; V224-L309 HydrophobicContact CG1-CD1 3.72Å; V224-L309 HydrophobicContact CG2-CD1 4.29Å; V224-L309 HydrophobicContact CG2-CD2 4.41Å; L226-L309 HydrophobicContact CD2-CD1 3.79Å; L284-L309 HydrophobicContact CB-CD2 3.37Å; L284-L309 HydrophobicContact CD1-CD2 4.34Å; N286-L309 PolarHBondContact N-O 2.88Å; I287-L309 HydrophobicContact CG2-CD2 4.29Å; I287-L309 PolarHBondContact N-O 3.4Å; A288-L309 HydrophobicContact CB-CB 4.19Å; A288-L309 WeakPolarHBondContact CB-O 3.36Å; A288-L309 PolarHBondContact N-O 2.78Å; V291-L309 HydrophobicContact CG1-CD1 4.42Å; V291-L309 HydrophobicContact CG2-CB 4.07Å; V291-L309 HydrophobicContact CG2-CD1 4.42Å; I305-L309 HydrophobicContact CG2-CD1 3.97Å; I305-L309 HydrophobicContact CG2-CG 4.4Å; I305-L309 WeakPolarHBondContact O-CG 3.48Å; I305-L309 PolarHBondContact O-N 3.03Å; A306-L309 PolarHBondContact O-N 3.43Å; C307-L309 VanDerWaalsContact C-N 3.27Å; C307-L309 PolarHBondContact O-N 3.39Å
310	L	98.3	Very high	97.7	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-61.1	143.4	-178.8	-68.7	-166.4	0	0	0	112	N286 A288 V291 A306 C307 K312 L318 F366 W374 C400	N286-L310 WeakPolarHBondContact CA-O 3.25Å; A288-L310 HydrophobicContact CB-CD2 4.33Å; A288-L310 WeakPolarHBondContact O-CA 3.3Å; V291-L310 HydrophobicContact CG2-CD2 3.8Å; A306-L310 PolarHBondContact O-N 2.91Å; C307-L310 PolarHBondContact O-N 2.77Å; L310-K312 PolarHBondContact O-N 3.5Å; L310-L318 HydrophobicContact CD1-CD2 3.9Å; L310-L318 HydrophobicContact CD1-CG 4.24Å; L310-L318 HydrophobicContact CD2-CD2 3.96Å; L310-L318 HydrophobicContact CG-CD2 3.96Å; L310-F366 HydrophobicContact CD1-CZ 3.84Å; L310-W374 HydrophobicContact CB-CH2 4.42Å; L310-C400 HydrophobicContact CD1-CB 3.59Å
311	K	97.3	Very high	97.7	Very high	51 Å²	51	30 Å²	30	22%	0.222	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-60.8	122.3	175.1	-71.8	176.4	-175.2	168.1	0	110.3	N286 I287 A288 D289 T313 T314 G315	N286-K311 VanDerWaalsContact OD1-CA 3.25Å; N286-K311 WeakPolarHBondContact OD1-CA 3.47Å; I287-K311 VanDerWaalsContact O-CE 3.22Å; I287-K311 WeakPolarHBondContact O-CE 3.15Å; A288-K311 PolarHBondContact O-N 3.02Å; A288-K311 VanDerWaalsContact O-N 3.09Å; D289-K311 WeakPolarHBondContact OD1-CE 3.06Å; D289-K311 IonicContact OD1-NZ 3.11Å; D289-K311 PolarHBondContact OD1-NZ 3.01Å; D289-K311 IonicContact OD2-NZ 3.44Å; D289-K311 PolarHBondContact OD2-NZ 2.85Å; K311-T313 PolarHBondContact O-N 2.88Å; K311-T314 VanDerWaalsContact CB-OG1 3.3Å; K311-T314 WeakPolarHBondContact CB-OG1 3.48Å; K311-T314 WeakPolarHBondContact CD-OG1 3.2Å; K311-G315 WeakPolarHBondContact O-CA 3.13Å; K311-G315 PolarHBondContact O-N 3.47Å
312	K	94.7	Very high	97.7	Very high	124 Å²	124	25.6 Å²	25.6	54%	0.539	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-21.9	179.3	-65.9	-175.3	175.1	-173.3	0	113.8	N286 L310 P402	N286-K312 HydrophobicContact CB-CG 4.34Å; N286-K312 PolarHBondContact OD1-N 2.91Å; L310-K312 PolarHBondContact O-N 3.5Å; K312-P402 WeakPolarHBondContact O-CB 3.44Å; K312-P402 VanDerWaalsContact O-CG 3.29Å; K312-P402 WeakPolarHBondContact O-CG 3.45Å
313	T	94.3	Very high	97.7	Very high	117 Å²	117	26.5 Å²	26.5	72%	0.718	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93	-34.8	-177.8	50.7	0	0	0	0	113	K311	K311-T313 PolarHBondContact O-N 2.88Å
314	T	96.8	Very high	97.5	Very high	69 Å²	69	26.7 Å²	26.7	42%	0.423	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-17.4	-174.8	53.7	0	0	0	0	113.3	K311 R401	K311-T314 VanDerWaalsContact CB-OG1 3.3Å; K311-T314 WeakPolarHBondContact CB-OG1 3.48Å; K311-T314 WeakPolarHBondContact CD-OG1 3.2Å; T314-R401 WeakPolarHBondContact O-CD 3.33Å; T314-R401 PolarHBondContact O-NH1 2.85Å
315	G	97.5	Very high	97.3	Very high	1 Å²	1	29 Å²	29	1%	0.01	15%	0.153	C	C	.	.	B	Isolated β-bridge	trans	70.2	-156.9	-168.6	0	0	0	0	0	112.8	K311 C400	K311-G315 WeakPolarHBondContact O-CA 3.13Å; K311-G315 PolarHBondContact O-N 3.47Å; G315-C400 CarbonylContact C-O 3.52Å; G315-C400 WeakPolarHBondContact CA-O 3.14Å
316	G	98.4	Very high	96.7	Very high	2 Å²	2	28.3 Å²	28.3	2%	0.021	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.4	-170	180	0	0	0	0	0	112.9	D289 C400	D289-G316 CarbonylContact O-C 3.55Å; D289-G316 WeakPolarHBondContact O-CA 3.3Å; G316-C400 PolarHBondContact N-O 3.49Å; G316-C400 PolarHBondContact O-N 3.3Å
317	V	98.8	Very high	95.7	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.036	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133.8	-176.8	-176.2	0	0	0	0	111.4	D289 R290 V291 L398	D289-V317 PolarHBondContact O-N 2.69Å; R290-V317 CarbonylContact C-O 3.46Å; R290-V317 VanDerWaalsContact CA-O 3.26Å; R290-V317 WeakPolarHBondContact CA-O 3.49Å; V291-V317 PolarHBondContact N-O 3.46Å; V317-L398 WeakPolarHBondContact CA-O 3.26Å
318	L	98.9	Very high	94.2	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.2	170.2	-53.3	-176.5	0	0	0	109.8	V291 L293 A306 L310 I320 I362 L396 D397 L398	V291-L318 HydrophobicContact CB-CD2 3.75Å; V291-L318 HydrophobicContact CG2-CD2 4Å; L293-L318 HydrophobicContact CD1-CB 4.29Å; A306-L318 HydrophobicContact CB-CD2 3.94Å; L310-L318 HydrophobicContact CD1-CD2 3.9Å; L310-L318 HydrophobicContact CD1-CG 4.24Å; L310-L318 HydrophobicContact CD2-CD2 3.96Å; L310-L318 HydrophobicContact CG-CD2 3.96Å; L318-I320 HydrophobicContact CB-CD1 4.19Å; L318-I320 HydrophobicContact CB-CG1 4.2Å; L318-I320 HydrophobicContact CD1-CD1 4.49Å; L318-I362 HydrophobicContact CD1-CD1 4.04Å; L318-I362 HydrophobicContact CD1-CG2 4.22Å; L318-L396 VanDerWaalsContact O-O 3.13Å; L318-D397 WeakPolarHBondContact O-CA 3.39Å; L318-L398 HydrophobicContact CB-CB 4.35Å; L318-L398 PolarHBondContact N-O 3.26Å; L318-L398 PolarHBondContact O-N 3.19Å
319	H	98.8	Very high	92.3	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	96.7	171.4	-60	-70.9	0	0	0	109.2	F216 Y237 R290 V291 L293 V395 L396 D397	F216-H319 AromaticContact CE2-CE1 3.83Å; F216-H319 AromaticContact CE2-NE2 3.92Å; F216-H319 AromaticContact CZ-CE1 3.95Å; Y237-H319 PolarHBondContact OH-CD2 3.4Å; R290-H319 WeakPolarHBondContact CD-NE2 3.23Å; R290-H319 WeakPolarHBondContact CG-CD2 3.48Å; R290-H319 VanDerWaalsContact CG-NE2 3.28Å; R290-H319 WeakPolarHBondContact CG-NE2 3.31Å; R290-H319 PolarHBondContact NH1-CE1 3.42Å; R290-H319 PolarHBondContact NH1-NE2 3.14Å; V291-H319 PolarHBondContact O-N 3.11Å; L293-H319 WeakPolarHBondContact CB-O 3.43Å; L293-H319 PolarHBondContact N-O 2.93Å; H319-V395 HydrophobicContact CB-CG1 4.28Å; H319-L396 WeakPolarHBondContact CA-O 3.44Å; H319-D397 IonicContact CE1-OD1 2.74Å; H319-D397 PolarHBondContact CE1-OD1 2.85Å; H319-D397 IonicContact CG-OD1 3.52Å; H319-D397 IonicContact ND1-OD1 3.18Å; H319-D397 PolarHBondContact ND1-OD1 2.86Å
320	I	98.8	Very high	90	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	112.4	-171.4	-63	159	0	0	0	110.2	L293 W303 L318 W354 T358 I362 V395 L396 L398	L293-I320 HydrophobicContact CD1-CG1 3.89Å; W303-I320 HydrophobicContact CZ2-CG2 4.22Å; L318-I320 HydrophobicContact CB-CD1 4.19Å; L318-I320 HydrophobicContact CB-CG1 4.2Å; L318-I320 HydrophobicContact CD1-CD1 4.49Å; I320-W354 HydrophobicContact CG2-CH2 4.49Å; I320-W354 HydrophobicContact CG2-CZ2 4.26Å; I320-T358 HydrophobicContact CD1-CG2 3.87Å; I320-I362 HydrophobicContact CD1-CD1 4.43Å; I320-I362 HydrophobicContact CD1-CG1 4.43Å; I320-V395 CarbonylContact O-C 3.58Å; I320-V395 VanDerWaalsContact O-CA 3.31Å; I320-V395 WeakPolarHBondContact O-CA 3.29Å; I320-L396 HydrophobicContact CB-CB 4.36Å; I320-L396 PolarHBondContact N-O 2.87Å; I320-L396 PolarHBondContact O-N 3.43Å; I320-L398 HydrophobicContact CD1-CD2 4.45Å
321	H	98.1	Very high	87.5	Confident	0 Å²	0	53 Å²	53	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	138.9	174.1	-66.1	-132.2	0	0	0	110.4	F233 L293 I296 S299 H393 V395	F233-H321 AromaticContact CE2-CE1 3.74Å; F233-H321 AromaticContact CZ-CE1 3.61Å; L293-H321 VanDerWaalsContact O-CB 3.3Å; L293-H321 WeakPolarHBondContact O-CB 3.31Å; L293-H321 PolarHBondContact O-CD2 3.17Å; L293-H321 PolarHBondContact O-N 2.89Å; L293-H321 VanDerWaalsContact O-N 3.14Å; I296-H321 HydrophobicContact CG2-CB 4.12Å; S299-H321 PolarHBondContact OG-O 2.92Å; H321-H393 AromaticContact CG-NE2 3.74Å; H321-H393 AromaticContact ND1-CE1 3.58Å; H321-H393 AromaticContact ND1-NE2 3.11Å; H321-H393 PolarHBondContact ND1-NE2 2.91Å; H321-H393 VanDerWaalsContact ND1-NE2 3.11Å; H321-V395 HydrophobicContact CB-CG2 4.45Å
322	Q	97.3	Very high	84.9	Confident	22 Å²	22	55.1 Å²	55.1	10%	0.103	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	146.3	178.5	-172.1	73.8	20.2	0	0	111.7	P297 T298 V324 W354 H393 V394	P297-Q322 PolarHBondContact O-NE2 2.85Å; P297-Q322 PolarHBondContact O-OE1 2.93Å; T298-Q322 PolarHBondContact OG1-OE1 3.41Å; T298-Q322 VanDerWaalsContact OG1-OE1 3.07Å; Q322-V324 HydrophobicContact CB-CG2 4.32Å; Q322-V324 HydrophobicContact CG-CG2 4.02Å; Q322-W354 HydrophobicContact CB-CH2 3.65Å; Q322-W354 HydrophobicContact CB-CZ2 3.22Å; Q322-W354 HydrophobicContact CG-CD2 4.49Å; Q322-W354 HydrophobicContact CG-CH2 4.43Å; Q322-W354 HydrophobicContact CG-CZ2 3.62Å; Q322-H393 WeakPolarHBondContact O-CA 3.26Å; Q322-V394 PolarHBondContact N-O 3.36Å; Q322-V394 PolarHBondContact O-N 2.97Å
323	N	96.7	Very high	82.5	Confident	19 Å²	19	53.3 Å²	53.3	10%	0.102	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	113.7	159	-79.8	-4	0	0	0	109.7	P297 Y387 V391 H392	P297-N323 HydrophobicContact CB-CB 4.03Å; P297-N323 PolarHBondContact O-N 2.89Å; N323-Y387 VanDerWaalsContact ND2-CD1 3.29Å; N323-Y387 WeakPolarHBondContact ND2-CD1 3.34Å; N323-Y387 VanDerWaalsContact ND2-CE1 3.31Å; N323-Y387 WeakPolarHBondContact ND2-CE1 3.48Å; N323-V391 HydrophobicContact CB-CG1 3.79Å; N323-H392 CarbonylContact C-O 3.45Å; N323-H392 WeakPolarHBondContact CA-O 3.3Å
324	V	95.5	Very high	80	Confident	9 Å²	9	51.2 Å²	51.2	6%	0.055	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.3	177.6	-174	0	0	0	0	109.3	Q322 V350 W354 V391 H392 V394	Q322-V324 HydrophobicContact CB-CG2 4.32Å; Q322-V324 HydrophobicContact CG-CG2 4.02Å; V324-V350 HydrophobicContact CG1-CG1 3.77Å; V324-W354 HydrophobicContact CG1-CB 4.32Å; V324-W354 HydrophobicContact CG2-CB 4.48Å; V324-W354 HydrophobicContact CG2-CD2 3.69Å; V324-W354 HydrophobicContact CG2-CE3 3.79Å; V324-W354 HydrophobicContact CG2-CG 3.96Å; V324-W354 HydrophobicContact CG2-CZ3 4.38Å; V324-V391 WeakPolarHBondContact O-CA 3.35Å; V324-H392 PolarHBondContact N-O 2.79Å; V324-H392 PolarHBondContact O-N 3.2Å; V324-V394 HydrophobicContact CG2-CB 4.28Å; V324-V394 HydrophobicContact CG2-CG2 4.27Å
325	T	93.1	Very high	77.7	Confident	96 Å²	96	55.7 Å²	55.7	59%	0.589	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	120	-179.8	-55.4	0	0	0	0	110	H390 V391	T325-H390 CarbonylContact C-O 3.6Å; T325-H390 WeakPolarHBondContact CA-O 3.48Å; T325-V391 HydrophobicContact CG2-CG2 4.35Å
326	S	85.8	Confident	75	Confident	4 Å²	4	59.9 Å²	59.9	3%	0.028	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-77.7	144	171.7	-60.5	0	0	0	0	110.7	D347 H390	S326-D347 WeakPolarHBondContact CB-OD1 3.5Å; S326-D347 PolarHBondContact OG-OD1 2.56Å; S326-H390 PolarHBondContact N-O 3.36Å
327	P	77	Confident	72.4	Confident	96 Å²	96	64 Å²	64	62%	0.623	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-64.2	145.7	175.8	23.9	-28	0	0	0	111.1	V350	P327-V350 HydrophobicContact CG-CG2 4.24Å
328	L	67.3	Low	69.7	Low	129 Å²	129	68.7 Å²	68.7	68%	0.675	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-66.8	134.4	175.6	-70.7	166.8	0	0	0	109.6	N330 H390	L328-N330 PolarHBondContact O-N 2.89Å; L328-H390 VanDerWaalsContact CD2-CD2 3.46Å; L328-H390 WeakPolarHBondContact CD2-CD2 3.37Å
329	P	57.3	Low	67.6	Low	102 Å²	102	74.6 Å²	74.6	66%	0.662	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-59.5	125.6	168.4	-16.9	28.3	0	0	0	108.9	A331	P329-A331 PolarHBondContact O-N 3.49Å
330	N	48.7	Very low	65.3	Low	145 Å²	145	80.9 Å²	80.9	78%	0.775	53%	0.531	S	S	*	.	P	Polyproline II helix	trans	-54.4	124	174.6	-86.4	-19.6	0	0	0	109.7	L328 A332	L328-N330 PolarHBondContact O-N 2.89Å; N330-A332 PolarHBondContact O-N 2.8Å
331	A	47.2	Very low	63.1	Low	117 Å²	117	86.9 Å²	86.9	97%	0.967	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.1	14.3	179.2	0	0	0	0	0	114.7	P329	P329-A331 PolarHBondContact O-N 3.49Å
332	A	42.8	Very low	61.5	Low	96 Å²	96	90.7 Å²	90.7	79%	0.793	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.2	-2.1	-176.5	0	0	0	0	0	114.2	N330	N330-A332 PolarHBondContact O-N 2.8Å
333	A	42.9	Very low	59.9	Low	87 Å²	87	91.8 Å²	91.8	72%	0.719	60%	0.602	S	S	*	*	S	Bend	trans	-96.7	106.8	176.7	0	0	0	0	0	110.2
334	G	42.8	Very low	58.5	Low	72 Å²	72	97.3 Å²	97.3	74%	0.742	63%	0.625	S	S	*	*			trans	-61.8	163.2	-176.1	0	0	0	0	0	115.5	A336	G334-A336 PolarHBondContact O-N 3.17Å
335	D	47.2	Very low	57.7	Low	164 Å²	164	101.1 Å²	101.1	88%	0.877	65%	0.645	S	S	*	*	S	Bend	trans	-58.5	109.3	-176.3	-71.7	-45.6	0	0	0	113.9
336	A	42.7	Very low	57.2	Low	89 Å²	89	98.6 Å²	98.6	74%	0.736	63%	0.634	S	S	*	*			trans	-168.1	99.2	149.5	0	0	0	0	0	113.3	G334	G334-A336 PolarHBondContact O-N 3.17Å
337	A	41.9	Very low	57.3	Low	88 Å²	88	99.9 Å²	99.9	73%	0.727	64%	0.64	S	S	*	*	S	Bend	trans	59.2	173.7	155.2	0	0	0	0	0	120.5	Q339	A337-Q339 PolarHBondContact O-N 2.99Å
338	P	44	Very low	58	Low	104 Å²	104	102 Å²	102	68%	0.675	64%	0.636	S	S	*	*				-70.3	92.4	-98.7	35.8	-22.2	0	0	0	113.5	N340	P338-N340 PolarHBondContact O-N 3.26Å
339	Q	53.2	Low	59.2	Low	126 Å²	126	101.8 Å²	101.8	59%	0.589	63%	0.632	S	S	*	*	H	α-helix	trans	-60.1	-17.9	-173.3	-68.2	176	-1.4	0	0	115.7	A337 A343	A337-Q339 PolarHBondContact O-N 2.99Å; Q339-A343 VanDerWaalsContact O-CB 3.24Å; Q339-A343 WeakPolarHBondContact O-CB 3.36Å; Q339-A343 PolarHBondContact O-N 3.47Å; Q339-A343 VanDerWaalsContact O-N 3.15Å
340	N	51.1	Low	61	Low	134 Å²	134	98.6 Å²	98.6	72%	0.717	61%	0.61	S	S	*	*	H	α-helix	trans	-75	-26.7	-172.2	-77.1	-29.4	0	0	0	115.1	P338 K344	P338-N340 PolarHBondContact O-N 3.26Å; N340-K344 WeakPolarHBondContact O-CG 3.43Å
341	L	53.6	Low	63.2	Low	125 Å²	125	92.8 Å²	92.8	65%	0.654	58%	0.578	S	S	*	*	H	α-helix	trans	-85.1	-39.4	178.9	-85	151.9	0	0	0	111.5	N345	L341-N345 PolarHBondContact O-N 3.28Å
342	S	63.1	Low	65.6	Low	80 Å²	80	94.6 Å²	94.6	56%	0.559	56%	0.559	S	S	*	*	H	α-helix	trans	-69.6	-39.1	177.3	72.8	0	0	0	0	111.8	K344 N345 A346	S342-K344 PolarHBondContact O-N 3.47Å; S342-N345 PolarHBondContact O-N 2.95Å; S342-A346 PolarHBondContact O-N 3.39Å
343	A	64.6	Low	68.1	Low	45 Å²	45	93.1 Å²	93.1	37%	0.372	55%	0.547	S	S	.	.	H	α-helix	trans	-61.4	-43.8	176.2	0	0	0	0	0	112.1	Q339 N345 A346 D347	Q339-A343 VanDerWaalsContact O-CB 3.24Å; Q339-A343 WeakPolarHBondContact O-CB 3.36Å; Q339-A343 PolarHBondContact O-N 3.47Å; Q339-A343 VanDerWaalsContact O-N 3.15Å; A343-N345 VanDerWaalsContact C-N 3.3Å; A343-N345 PolarHBondContact O-N 3.46Å; A343-A346 WeakPolarHBondContact O-CB 3.32Å; A343-A346 PolarHBondContact O-N 3.23Å; A343-D347 VanDerWaalsContact O-CG 3.26Å; A343-D347 PolarHBondContact O-N 3.19Å
344	K	67.4	Low	70.7	Confident	136 Å²	136	90.6 Å²	90.6	59%	0.591	52%	0.519	S	S	*	.	H	α-helix	trans	-63.7	-34.2	175.8	-77.2	-178.1	179.3	-175.9	0	113.3	N340 S342 R348	N340-K344 WeakPolarHBondContact O-CG 3.43Å; S342-K344 PolarHBondContact O-N 3.47Å; K344-R348 WeakPolarHBondContact O-CG 3.5Å; K344-R348 PolarHBondContact O-N 3.17Å
345	N	77.8	Confident	73.4	Confident	88 Å²	88	87.1 Å²	87.1	47%	0.471	48%	0.484	S	S	.	.	H	α-helix	trans	-71.2	-41	175.2	-73.5	-15.1	0	0	0	111	L341 S342 A343 R348 E349	L341-N345 PolarHBondContact O-N 3.28Å; S342-N345 PolarHBondContact O-N 2.95Å; A343-N345 VanDerWaalsContact C-N 3.3Å; A343-N345 PolarHBondContact O-N 3.46Å; N345-R348 WeakPolarHBondContact O-CB 3.36Å; N345-R348 PolarHBondContact O-N 3.01Å; N345-E349 WeakPolarHBondContact O-CG 3.41Å; N345-E349 PolarHBondContact O-N 2.91Å
346	A	83.3	Confident	75.8	Confident	44 Å²	44	82.1 Å²	82.1	36%	0.364	46%	0.462	S	S	.	.	H	α-helix	trans	-61.6	-43.5	174.3	0	0	0	0	0	111.9	S342 A343 R348 E349 V350	S342-A346 PolarHBondContact O-N 3.39Å; A343-A346 WeakPolarHBondContact O-CB 3.32Å; A343-A346 PolarHBondContact O-N 3.23Å; A346-R348 VanDerWaalsContact C-N 3.31Å; A346-R348 PolarHBondContact O-N 2.87Å; A346-E349 PolarHBondContact O-N 3.25Å; A346-V350 WeakPolarHBondContact O-CG2 3.48Å; A346-V350 PolarHBondContact O-N 3.17Å
347	D	88.1	Confident	78.5	Confident	30 Å²	30	81.8 Å²	81.8	16%	0.16	45%	0.447	C	S	.	.	H	α-helix	trans	-57.4	-45.6	174.4	-67	-30.8	0	0	0	111.1	S326 A343 E349 V350 W351 H392	S326-D347 WeakPolarHBondContact CB-OD1 3.5Å; S326-D347 PolarHBondContact OG-OD1 2.56Å; A343-D347 VanDerWaalsContact O-CG 3.26Å; A343-D347 PolarHBondContact O-N 3.19Å; D347-E349 VanDerWaalsContact C-N 3.31Å; D347-E349 PolarHBondContact O-N 3.21Å; D347-V350 WeakPolarHBondContact O-CB 3.32Å; D347-V350 PolarHBondContact O-N 3.39Å; D347-W351 HydrophobicContact CB-CH2 4.41Å; D347-W351 HydrophobicContact CB-CZ2 3.74Å; D347-W351 PolarHBondContact O-N 3.39Å; D347-W351 PolarHBondContact O-NE1 2.85Å; D347-H392 IonicContact OD1-NE2 3.65Å; D347-H392 IonicContact OD2-CE1 3.53Å; D347-H392 IonicContact OD2-NE2 3.74Å
348	R	90.2	Very high	81.1	Confident	140 Å²	140	77.6 Å²	77.6	53%	0.528	41%	0.413	S	S	.	.	H	α-helix	trans	-63.1	-35.1	177.8	-76.5	178.8	171.9	-155.9	-4.7	113.1	K344 N345 A346 W351 R352	K344-R348 WeakPolarHBondContact O-CG 3.5Å; K344-R348 PolarHBondContact O-N 3.17Å; N345-R348 WeakPolarHBondContact O-CB 3.36Å; N345-R348 PolarHBondContact O-N 3.01Å; A346-R348 VanDerWaalsContact C-N 3.31Å; A346-R348 PolarHBondContact O-N 2.87Å; R348-W351 HydrophobicContact CG-CE3 3.98Å; R348-W351 HydrophobicContact CG-CZ3 3.87Å; R348-W351 PolarHBondContact O-N 3.22Å; R348-R352 WeakPolarHBondContact O-CB 3.27Å; R348-R352 VanDerWaalsContact O-CG 3.27Å; R348-R352 WeakPolarHBondContact O-CG 3.46Å; R348-R352 PolarHBondContact O-N 2.9Å
349	E	92.7	Very high	83.7	Confident	125 Å²	125	73 Å²	73	58%	0.584	38%	0.384	S	S	*	.	H	α-helix	trans	-66.4	-42.5	174.8	-73.7	172	-174.8	0	0	111.4	N345 A346 D347 W351 R352 A353	N345-E349 WeakPolarHBondContact O-CG 3.41Å; N345-E349 PolarHBondContact O-N 2.91Å; A346-E349 PolarHBondContact O-N 3.25Å; D347-E349 VanDerWaalsContact C-N 3.31Å; D347-E349 PolarHBondContact O-N 3.21Å; E349-W351 VanDerWaalsContact C-N 3.33Å; E349-W351 PolarHBondContact O-N 3.07Å; E349-R352 PolarHBondContact O-N 3.23Å; E349-A353 WeakPolarHBondContact O-CB 3.5Å; E349-A353 PolarHBondContact O-N 2.94Å
350	V	94.9	Very high	85.9	Confident	36 Å²	36	71.6 Å²	71.6	22%	0.218	38%	0.38	C	S	.	.	H	α-helix	trans	-61.1	-43.5	174.3	177.7	0	0	0	0	110.8	V324 P327 A346 D347 R352 A353 W354	V324-V350 HydrophobicContact CG1-CG1 3.77Å; P327-V350 HydrophobicContact CG-CG2 4.24Å; A346-V350 WeakPolarHBondContact O-CG2 3.48Å; A346-V350 PolarHBondContact O-N 3.17Å; D347-V350 WeakPolarHBondContact O-CB 3.32Å; D347-V350 PolarHBondContact O-N 3.39Å; V350-R352 VanDerWaalsContact C-N 3.34Å; V350-R352 PolarHBondContact O-N 3.27Å; V350-A353 PolarHBondContact O-N 2.94Å; V350-W354 WeakPolarHBondContact O-CB 3.5Å; V350-W354 PolarHBondContact O-N 3.05Å
351	W	96.1	Very high	88.1	Confident	22 Å²	22	69.4 Å²	69.4	8%	0.083	36%	0.362	C	S	.	.	H	α-helix	trans	-64.8	-38.8	178	-52.9	-15	0	0	0	112.1	D347 R348 E349 W354 A355 I381 H383 H392 V394	D347-W351 HydrophobicContact CB-CH2 4.41Å; D347-W351 HydrophobicContact CB-CZ2 3.74Å; D347-W351 PolarHBondContact O-N 3.39Å; D347-W351 PolarHBondContact O-NE1 2.85Å; R348-W351 HydrophobicContact CG-CE3 3.98Å; R348-W351 HydrophobicContact CG-CZ3 3.87Å; R348-W351 PolarHBondContact O-N 3.22Å; E349-W351 VanDerWaalsContact C-N 3.33Å; E349-W351 PolarHBondContact O-N 3.07Å; W351-W354 PolarHBondContact O-N 3.38Å; W351-A355 WeakPolarHBondContact O-CB 3.11Å; W351-A355 PolarHBondContact O-N 2.76Å; W351-I381 HydrophobicContact CB-CG2 4.13Å; W351-H383 HydrophobicContact CE3-CB 4.4Å; W351-H383 HydrophobicContact CH2-CB 3.69Å; W351-H383 AromaticContact CH2-CD2 3.41Å; W351-H383 VanDerWaalsContact CH2-CD2 3.41Å; W351-H383 WeakPolarHBondContact CH2-CD2 3.47Å; W351-H383 AromaticContact CH2-CG 3.49Å; W351-H383 VanDerWaalsContact CH2-CG 3.49Å; W351-H383 AromaticContact CZ2-CD2 3.65Å; W351-H383 HydrophobicContact CZ3-CB 3.57Å; W351-H383 AromaticContact CZ3-CG 3.95Å; W351-H392 HydrophobicContact CZ2-CB 3.95Å; W351-H392 AromaticContact CZ2-CG 3.61Å; W351-H392 AromaticContact CZ2-ND1 3.6Å; W351-H392 AromaticContact NE1-CG 3.91Å; W351-V394 HydrophobicContact CD2-CG2 3.95Å; W351-V394 HydrophobicContact CG-CG2 4.02Å
352	R	96.9	Very high	90.2	Very high	155 Å²	155	63.4 Å²	63.4	59%	0.585	33%	0.331	S	S	*	.	H	α-helix	trans	-66.1	-41.9	175.4	-75.4	169.9	180	164.8	-2.8	112.2	R348 E349 V350 A355 S356 I381	R348-R352 WeakPolarHBondContact O-CB 3.27Å; R348-R352 VanDerWaalsContact O-CG 3.27Å; R348-R352 WeakPolarHBondContact O-CG 3.46Å; R348-R352 PolarHBondContact O-N 2.9Å; E349-R352 PolarHBondContact O-N 3.23Å; V350-R352 VanDerWaalsContact C-N 3.34Å; V350-R352 PolarHBondContact O-N 3.27Å; R352-A355 PolarHBondContact O-N 3.25Å; R352-S356 PolarHBondContact O-N 3.36Å; R352-I381 HydrophobicContact CG-CD1 4Å
353	A	96.8	Very high	91.8	Very high	65 Å²	65	62.2 Å²	62.2	54%	0.537	32%	0.32	S	S	.	.	H	α-helix	trans	-62.1	-46.5	175.8	0	0	0	0	0	111	E349 V350 A355 S356 D357	E349-A353 WeakPolarHBondContact O-CB 3.5Å; E349-A353 PolarHBondContact O-N 2.94Å; V350-A353 PolarHBondContact O-N 2.94Å; A353-A355 VanDerWaalsContact C-N 3.34Å; A353-A355 PolarHBondContact O-N 2.68Å; A353-S356 PolarHBondContact O-N 3.22Å; A353-D357 PolarHBondContact O-N 2.66Å
354	W	97.5	Very high	93.3	Very high	34 Å²	34	63.2 Å²	63.2	13%	0.129	32%	0.324	C	S	.	.	H	α-helix	trans	-59.1	-43.3	173.7	166.5	69.5	0	0	0	112.4	I320 Q322 V324 V350 W351 D357 T358 V394 L396	I320-W354 HydrophobicContact CG2-CH2 4.49Å; I320-W354 HydrophobicContact CG2-CZ2 4.26Å; Q322-W354 HydrophobicContact CB-CH2 3.65Å; Q322-W354 HydrophobicContact CB-CZ2 3.22Å; Q322-W354 HydrophobicContact CG-CD2 4.49Å; Q322-W354 HydrophobicContact CG-CH2 4.43Å; Q322-W354 HydrophobicContact CG-CZ2 3.62Å; V324-W354 HydrophobicContact CG1-CB 4.32Å; V324-W354 HydrophobicContact CG2-CB 4.48Å; V324-W354 HydrophobicContact CG2-CD2 3.69Å; V324-W354 HydrophobicContact CG2-CE3 3.79Å; V324-W354 HydrophobicContact CG2-CG 3.96Å; V324-W354 HydrophobicContact CG2-CZ3 4.38Å; V350-W354 WeakPolarHBondContact O-CB 3.5Å; V350-W354 PolarHBondContact O-N 3.05Å; W351-W354 PolarHBondContact O-N 3.38Å; W354-D357 PolarHBondContact O-N 3.3Å; W354-T358 PolarHBondContact NE1-OG1 3.41Å; W354-T358 WeakPolarHBondContact O-CB 3.49Å; W354-T358 PolarHBondContact O-N 3.02Å; W354-T358 PolarHBondContact O-OG1 2.89Å; W354-V394 HydrophobicContact CE3-CG1 4.5Å; W354-V394 HydrophobicContact CZ3-CB 4.38Å; W354-V394 HydrophobicContact CZ3-CG1 3.91Å; W354-L396 HydrophobicContact CH2-CB 3.61Å; W354-L396 HydrophobicContact CH2-CD2 4.43Å; W354-L396 HydrophobicContact CZ3-CB 3.76Å
355	A	98.3	Very high	94.7	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.9	-39.2	178.9	0	0	0	0	0	112.4	W351 R352 A353 T358 A359 I378 I381 L396	W351-A355 WeakPolarHBondContact O-CB 3.11Å; W351-A355 PolarHBondContact O-N 2.76Å; R352-A355 PolarHBondContact O-N 3.25Å; A353-A355 VanDerWaalsContact C-N 3.34Å; A353-A355 PolarHBondContact O-N 2.68Å; A355-T358 PolarHBondContact O-N 3.48Å; A355-A359 WeakPolarHBondContact O-CB 3.48Å; A355-A359 PolarHBondContact O-N 3.3Å; A355-I378 HydrophobicContact CB-CD1 3.97Å; A355-I381 HydrophobicContact CB-CD1 3.53Å; A355-I381 HydrophobicContact CB-CG1 4.1Å; A355-L396 HydrophobicContact CB-CD1 3.78Å; A355-L396 HydrophobicContact CB-CD2 4.11Å
356	S	98.3	Very high	95.5	Very high	59 Å²	59	54.6 Å²	54.6	41%	0.413	28%	0.284	S	S	.	.	H	α-helix	trans	-63.8	-49.5	175.4	-164.5	0	0	0	0	111.6	R352 A353 T358 A359 D360	R352-S356 PolarHBondContact O-N 3.36Å; A353-S356 PolarHBondContact O-N 3.22Å; S356-T358 VanDerWaalsContact C-N 3.28Å; S356-T358 PolarHBondContact O-N 3.18Å; S356-A359 WeakPolarHBondContact O-CB 3.42Å; S356-A359 PolarHBondContact O-N 3.18Å; S356-A359 VanDerWaalsContact O-N 3.12Å; S356-D360 PolarHBondContact O-N 2.97Å
357	D	98.1	Very high	95.9	Very high	81 Å²	81	59.6 Å²	59.6	43%	0.433	30%	0.298	S	S	.	.	H	α-helix	trans	-58.9	-41.8	176.2	177.6	74.7	0	0	0	111.6	A353 W354 A359 D360 R361	A353-D357 PolarHBondContact O-N 2.66Å; W354-D357 PolarHBondContact O-N 3.3Å; D357-A359 PolarHBondContact O-N 3.21Å; D357-D360 PolarHBondContact O-N 2.99Å; D357-R361 VanDerWaalsContact O-CG 3.31Å; D357-R361 WeakPolarHBondContact O-CG 3.38Å; D357-R361 PolarHBondContact O-N 3.13Å; D357-R361 WeakPolarHBondContact OD2-CD 3.49Å
358	T	98.4	Very high	96.1	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-61.1	-44.6	175.5	-59.6	0	0	0	0	111.2	W303 I320 W354 A355 S356 D360 R361 I362 L396	W303-T358 HydrophobicContact CH2-CG2 3.66Å; W303-T358 HydrophobicContact CZ2-CG2 3.85Å; W303-T358 HydrophobicContact CZ3-CG2 4.19Å; I320-T358 HydrophobicContact CD1-CG2 3.87Å; W354-T358 PolarHBondContact NE1-OG1 3.41Å; W354-T358 WeakPolarHBondContact O-CB 3.49Å; W354-T358 PolarHBondContact O-N 3.02Å; W354-T358 PolarHBondContact O-OG1 2.89Å; A355-T358 PolarHBondContact O-N 3.48Å; S356-T358 VanDerWaalsContact C-N 3.28Å; S356-T358 PolarHBondContact O-N 3.18Å; T358-D360 PolarHBondContact O-N 3.1Å; T358-R361 PolarHBondContact O-N 3.23Å; T358-I362 HydrophobicContact CG2-CG1 4.37Å; T358-I362 WeakPolarHBondContact O-CB 3.49Å; T358-I362 VanDerWaalsContact O-CG1 3.23Å; T358-I362 WeakPolarHBondContact O-CG1 3.44Å; T358-I362 PolarHBondContact O-N 3.11Å; T358-L396 HydrophobicContact CG2-CD2 3.67Å
359	A	98.4	Very high	96	Very high	9 Å²	9	62 Å²	62	7%	0.074	32%	0.32	C	S	.	.	H	α-helix	trans	-62.7	-40.1	177.3	0	0	0	0	0	112.4	A355 S356 D357 I362 T363 I376 I378 L398	A355-A359 WeakPolarHBondContact O-CB 3.48Å; A355-A359 PolarHBondContact O-N 3.3Å; S356-A359 WeakPolarHBondContact O-CB 3.42Å; S356-A359 PolarHBondContact O-N 3.18Å; S356-A359 VanDerWaalsContact O-N 3.12Å; D357-A359 PolarHBondContact O-N 3.21Å; A359-I362 PolarHBondContact O-N 2.75Å; A359-T363 WeakPolarHBondContact O-CB 3.41Å; A359-T363 PolarHBondContact O-N 3.07Å; A359-T363 PolarHBondContact O-OG1 3.12Å; A359-I376 HydrophobicContact CB-CG2 4.09Å; A359-I378 HydrophobicContact CB-CD1 4.25Å; A359-I378 HydrophobicContact CB-CG1 4.19Å; A359-L398 HydrophobicContact CB-CD1 3.91Å
360	D	97.7	Very high	95.5	Very high	95 Å²	95	58.1 Å²	58.1	51%	0.508	31%	0.307	S	S	.	.	H	α-helix	trans	-66.2	-41.2	177.7	-68.7	-27.5	0	0	0	111.8	S356 D357 T358 T363 S364	S356-D360 PolarHBondContact O-N 2.97Å; D357-D360 PolarHBondContact O-N 2.99Å; T358-D360 PolarHBondContact O-N 3.1Å; D360-T363 WeakPolarHBondContact O-CB 3.29Å; D360-T363 PolarHBondContact O-N 2.91Å; D360-S364 PolarHBondContact O-N 2.92Å; D360-S364 PolarHBondContact O-OG 3.47Å
361	R	97.9	Very high	94.8	Very high	88 Å²	88	59.7 Å²	59.7	33%	0.332	33%	0.331	S	S	.	.	H	α-helix	trans	-65.9	-42.8	175.2	-70.6	174.7	66.9	-166.7	-0.5	111.9	E300 W303 D357 T358 T363 S364 L365	E300-R361 VanDerWaalsContact CD-NH2 3.26Å; E300-R361 IonicContact OE1-CZ 3.26Å; E300-R361 IonicContact OE1-NH1 2.75Å; E300-R361 PolarHBondContact OE1-NH1 3.38Å; E300-R361 IonicContact OE1-NH2 3.46Å; E300-R361 IonicContact OE2-CZ 2.77Å; E300-R361 IonicContact OE2-NH1 3.63Å; E300-R361 PolarHBondContact OE2-NH1 3.41Å; E300-R361 IonicContact OE2-NH2 2.74Å; E300-R361 PolarHBondContact OE2-NH2 3.2Å; W303-R361 HydrophobicContact CZ3-CB 4Å; W303-R361 VanDerWaalsContact CZ3-CZ 3.46Å; D357-R361 VanDerWaalsContact O-CG 3.31Å; D357-R361 WeakPolarHBondContact O-CG 3.38Å; D357-R361 PolarHBondContact O-N 3.13Å; D357-R361 WeakPolarHBondContact OD2-CD 3.49Å; T358-R361 PolarHBondContact O-N 3.23Å; R361-T363 VanDerWaalsContact C-N 3.33Å; R361-S364 WeakPolarHBondContact O-CB 3.35Å; R361-S364 PolarHBondContact O-N 2.85Å; R361-L365 WeakPolarHBondContact O-CG 3.37Å; R361-L365 PolarHBondContact O-N 3.38Å
362	I	98	Very high	94	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-63.1	-40.7	174.4	-68.8	-71.5	0	0	0	110.9	W303 L318 I320 T358 A359 S364 L365 F366 I376 L398	W303-I362 HydrophobicContact CB-CD1 3.87Å; W303-I362 HydrophobicContact CD2-CD1 4.07Å; W303-I362 HydrophobicContact CE3-CD1 4.11Å; W303-I362 HydrophobicContact CE3-CG1 4.47Å; W303-I362 HydrophobicContact CG-CD1 3.98Å; L318-I362 HydrophobicContact CD1-CD1 4.04Å; L318-I362 HydrophobicContact CD1-CG2 4.22Å; I320-I362 HydrophobicContact CD1-CD1 4.43Å; I320-I362 HydrophobicContact CD1-CG1 4.43Å; T358-I362 HydrophobicContact CG2-CG1 4.37Å; T358-I362 WeakPolarHBondContact O-CB 3.49Å; T358-I362 VanDerWaalsContact O-CG1 3.23Å; T358-I362 WeakPolarHBondContact O-CG1 3.44Å; T358-I362 PolarHBondContact O-N 3.11Å; A359-I362 PolarHBondContact O-N 2.75Å; I362-S364 VanDerWaalsContact C-N 3.29Å; I362-S364 PolarHBondContact O-N 2.87Å; I362-L365 HydrophobicContact CD1-CD1 4.24Å; I362-L365 PolarHBondContact O-N 3.48Å; I362-F366 HydrophobicContact CG2-CD2 3.69Å; I362-F366 HydrophobicContact CG2-CE2 3.43Å; I362-F366 VanDerWaalsContact CG2-CE2 3.43Å; I362-F366 VanDerWaalsContact O-CD2 3.26Å; I362-F366 WeakPolarHBondContact O-CD2 3.47Å; I362-F366 PolarHBondContact O-N 2.91Å; I362-I376 HydrophobicContact CG2-CD1 4.35Å; I362-L398 HydrophobicContact CB-CD2 3.96Å; I362-L398 HydrophobicContact CG1-CD2 3.94Å; I362-L398 HydrophobicContact CG2-CD2 3.83Å
363	T	96.5	Very high	93.5	Very high	55 Å²	55	57.4 Å²	57.4	34%	0.337	35%	0.345	S	S	.	.	H	α-helix	trans	-58.3	-44.1	174.7	-58.2	0	0	0	0	111.2	A359 D360 R361 F366 K367 I376	A359-T363 WeakPolarHBondContact O-CB 3.41Å; A359-T363 PolarHBondContact O-N 3.07Å; A359-T363 PolarHBondContact O-OG1 3.12Å; D360-T363 WeakPolarHBondContact O-CB 3.29Å; D360-T363 PolarHBondContact O-N 2.91Å; R361-T363 VanDerWaalsContact C-N 3.33Å; T363-F366 PolarHBondContact O-N 3.36Å; T363-K367 PolarHBondContact O-N 2.91Å; T363-K367 VanDerWaalsContact O-N 3.14Å; T363-I376 VanDerWaalsContact OG1-CG1 3.24Å; T363-I376 WeakPolarHBondContact OG1-CG1 3.29Å
364	S	95.8	Very high	93.5	Very high	66 Å²	66	55.1 Å²	55.1	46%	0.462	32%	0.322	S	S	.	.	H	α-helix	trans	-62.8	-43.7	176.5	-58.1	0	0	0	0	111.8	D360 R361 I362 F366 K367 D368	D360-S364 PolarHBondContact O-N 2.92Å; D360-S364 PolarHBondContact O-OG 3.47Å; R361-S364 WeakPolarHBondContact O-CB 3.35Å; R361-S364 PolarHBondContact O-N 2.85Å; I362-S364 VanDerWaalsContact C-N 3.29Å; I362-S364 PolarHBondContact O-N 2.87Å; S364-F366 PolarHBondContact O-N 3.44Å; S364-K367 WeakPolarHBondContact O-CB 3.41Å; S364-K367 PolarHBondContact O-N 3.45Å; S364-D368 PolarHBondContact O-N 3.3Å
365	L	96.8	Very high	93.4	Very high	39 Å²	39	57 Å²	57	20%	0.204	34%	0.337	C	S	.	.	H	α-helix	trans	-60.8	-40.9	176.1	-72.8	171.9	0	0	0	112.8	W303 P304 R361 I362 K367 D368 L369	W303-L365 HydrophobicContact CB-CD1 3.74Å; W303-L365 HydrophobicContact CE3-CD1 4.5Å; P304-L365 HydrophobicContact CB-CD2 4.47Å; P304-L365 HydrophobicContact CG-CD1 4.38Å; P304-L365 HydrophobicContact CG-CD2 4.06Å; R361-L365 WeakPolarHBondContact O-CG 3.37Å; R361-L365 PolarHBondContact O-N 3.38Å; I362-L365 HydrophobicContact CD1-CD1 4.24Å; I362-L365 PolarHBondContact O-N 3.48Å; L365-K367 VanDerWaalsContact C-N 3.34Å; L365-D368 PolarHBondContact O-N 2.79Å; L365-L369 WeakPolarHBondContact O-CB 3.24Å; L365-L369 VanDerWaalsContact O-CG 3.26Å; L365-L369 WeakPolarHBondContact O-CG 3.24Å; L365-L369 PolarHBondContact O-N 3.2Å
366	F	95.3	Very high	93.4	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.018	35%	0.345	C	S	.	.	H	α-helix	trans	-64.1	-39.9	175.9	-83.5	-63.7	0	0	0	112.7	C307 L310 I362 T363 S364 D368 L369 S370 W374 I376 C400	C307-F366 HydrophobicContact CB-CD1 4.09Å; C307-F366 HydrophobicContact CB-CE1 3.7Å; C307-F366 HydrophobicContact CB-CE2 4.36Å; C307-F366 HydrophobicContact CB-CZ 3.83Å; C307-F366 WeakPolarHBondContact O-CE1 3.35Å; L310-F366 HydrophobicContact CD1-CZ 3.84Å; I362-F366 HydrophobicContact CG2-CD2 3.69Å; I362-F366 HydrophobicContact CG2-CE2 3.43Å; I362-F366 VanDerWaalsContact CG2-CE2 3.43Å; I362-F366 VanDerWaalsContact O-CD2 3.26Å; I362-F366 WeakPolarHBondContact O-CD2 3.47Å; I362-F366 PolarHBondContact O-N 2.91Å; T363-F366 PolarHBondContact O-N 3.36Å; S364-F366 PolarHBondContact O-N 3.44Å; F366-D368 VanDerWaalsContact C-N 3.34Å; F366-L369 PolarHBondContact O-N 3.3Å; F366-S370 WeakPolarHBondContact O-CB 3.23Å; F366-S370 PolarHBondContact O-N 3.46Å; F366-S370 PolarHBondContact O-OG 3.01Å; F366-W374 HydrophobicContact CB-CB 4.06Å; F366-W374 HydrophobicContact CB-CD2 4.4Å; F366-W374 HydrophobicContact CB-CG 3.79Å; F366-W374 AromaticContact CD1-CD2 3.6Å; F366-W374 HydrophobicContact CD1-CD2 3.6Å; F366-W374 AromaticContact CD1-CE2 3.59Å; F366-W374 HydrophobicContact CD1-CE3 4.02Å; F366-W374 AromaticContact CD1-CG 3.91Å; F366-W374 HydrophobicContact CD1-CG 3.91Å; F366-W374 HydrophobicContact CD1-CH2 4.42Å; F366-W374 HydrophobicContact CD1-CZ2 4.03Å; F366-W374 HydrophobicContact CD1-CZ3 4.4Å; F366-W374 AromaticContact CD1-NE1 3.83Å; F366-W374 HydrophobicContact CD2-CB 4.33Å; F366-W374 HydrophobicContact CD2-CD2 4.43Å; F366-W374 HydrophobicContact CD2-CG 4.34Å; F366-W374 AromaticContact CE1-CD2 3.93Å; F366-W374 HydrophobicContact CE1-CD2 3.93Å; F366-W374 AromaticContact CE1-CE2 3.98Å; F366-W374 AromaticContact CE1-CE3 3.86Å; F366-W374 HydrophobicContact CE1-CE3 3.86Å; F366-W374 AromaticContact CE1-CH2 3.98Å; F366-W374 HydrophobicContact CE1-CH2 3.98Å; F366-W374 HydrophobicContact CE1-CZ2 4.03Å; F366-W374 AromaticContact CE1-CZ3 3.88Å; F366-W374 HydrophobicContact CE1-CZ3 3.88Å; F366-W374 HydrophobicContact CE2-CE3 4.4Å; F366-W374 HydrophobicContact CG-CB 4.14Å; F366-W374 AromaticContact CG-CD2 3.9Å; F366-W374 HydrophobicContact CG-CD2 3.9Å; F366-W374 HydrophobicContact CG-CE3 4.38Å; F366-W374 AromaticContact CG-CG 3.76Å; F366-W374 HydrophobicContact CG-CG 3.76Å; F366-W374 HydrophobicContact CZ-CD2 4.48Å; F366-W374 HydrophobicContact CZ-CE3 4.08Å; F366-W374 HydrophobicContact CZ-CZ3 4.18Å; F366-I376 HydrophobicContact CD2-CD1 3.62Å; F366-I376 HydrophobicContact CE2-CD1 3.68Å; F366-C400 HydrophobicContact CE2-CB 3.79Å; F366-C400 HydrophobicContact CZ-CB 3.9Å
367	K	92.1	Very high	93.4	Very high	149 Å²	149	59.9 Å²	59.9	65%	0.648	35%	0.348	S	S	*	.	H	α-helix	trans	-60.7	-45.4	175.8	-172.7	-179.1	179.7	-177.6	0	110.9	T363 S364 L365 G371	T363-K367 PolarHBondContact O-N 2.91Å; T363-K367 VanDerWaalsContact O-N 3.14Å; S364-K367 WeakPolarHBondContact O-CB 3.41Å; S364-K367 PolarHBondContact O-N 3.45Å; L365-K367 VanDerWaalsContact C-N 3.34Å; K367-G371 WeakPolarHBondContact O-CA 3.45Å; K367-G371 PolarHBondContact O-N 3.05Å
368	D	91.9	Very high	93.4	Very high	134 Å²	134	58.9 Å²	58.9	72%	0.717	34%	0.342	S	S	*	.	H	α-helix	trans	-68.4	-37.9	-179.8	-66.7	-15.9	0	0	0	112.6	S364 L365 F366	S364-D368 PolarHBondContact O-N 3.3Å; L365-D368 PolarHBondContact O-N 2.79Å; F366-D368 VanDerWaalsContact C-N 3.34Å
369	L	88.8	Confident	93.4	Very high	85 Å²	85	63.7 Å²	63.7	45%	0.445	36%	0.364	S	S	.	.	H	α-helix	trans	-80.6	-35.8	-176.2	-73.7	170.7	0	0	0	114.3	C307 L365 F366	C307-L369 HydrophobicContact CB-CD1 3.55Å; L365-L369 WeakPolarHBondContact O-CB 3.24Å; L365-L369 VanDerWaalsContact O-CG 3.26Å; L365-L369 WeakPolarHBondContact O-CG 3.24Å; L365-L369 PolarHBondContact O-N 3.2Å; F366-L369 PolarHBondContact O-N 3.3Å
370	S	81.1	Confident	93.4	Very high	44 Å²	44	66.9 Å²	66.9	31%	0.308	38%	0.377	S	S	.	.	H	α-helix	trans	-114.6	-19.7	-169.6	71.3	0	0	0	0	114.1	F366 A372 W374	F366-S370 WeakPolarHBondContact O-CB 3.23Å; F366-S370 PolarHBondContact O-N 3.46Å; F366-S370 PolarHBondContact O-OG 3.01Å; S370-A372 PolarHBondContact O-N 2.95Å; S370-A372 PolarHBondContact OG-N 2.9Å; S370-A372 PolarHBondContact OG-O 3.35Å; S370-W374 PolarHBondContact OG-NE1 3.18Å; S370-W374 VanDerWaalsContact OG-NE1 3.15Å
371	G	80.8	Confident	93.4	Very high	69 Å²	69	64.2 Å²	64.2	71%	0.711	36%	0.363	S	S	*	.	S	Bend	trans	64.3	-6.3	-167.7	0	0	0	0	0	114.2	K367	K367-G371 WeakPolarHBondContact O-CA 3.45Å; K367-G371 PolarHBondContact O-N 3.05Å
372	A	78.5	Confident	93.4	Very high	48 Å²	48	62.4 Å²	62.4	40%	0.397	36%	0.358	S	S	.	.	S	Bend	trans	-91.5	152.9	178.6	0	0	0	0	0	110.4	S370	S370-A372 PolarHBondContact O-N 2.95Å; S370-A372 PolarHBondContact OG-N 2.9Å; S370-A372 PolarHBondContact OG-O 3.35Å
373	S	87.8	Confident	93.2	Very high	81 Å²	81	65.7 Å²	65.7	57%	0.566	37%	0.373	S	S	*	.			trans	-79.9	134.6	173.1	-172	0	0	0	0	109.5	N403	S373-N403 VanDerWaalsContact CB-ND2 3.29Å; S373-N403 WeakPolarHBondContact CB-ND2 3.36Å; S373-N403 WeakPolarHBondContact O-CB 3.31Å; S373-N403 PolarHBondContact O-N 3.21Å; S373-N403 PolarHBondContact O-ND2 3.01Å; S373-N403 PolarHBondContact OG-ND2 3.01Å
374	W	95.6	Very high	93.1	Very high	18 Å²	18	63.6 Å²	63.6	7%	0.068	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	141.3	175.6	-74.5	66.8	0	0	0	109.5	L310 F366 S370 I376 C400 R401 P402	L310-W374 HydrophobicContact CB-CH2 4.42Å; F366-W374 HydrophobicContact CB-CB 4.06Å; F366-W374 HydrophobicContact CB-CD2 4.4Å; F366-W374 HydrophobicContact CB-CG 3.79Å; F366-W374 AromaticContact CD1-CD2 3.6Å; F366-W374 HydrophobicContact CD1-CD2 3.6Å; F366-W374 AromaticContact CD1-CE2 3.59Å; F366-W374 HydrophobicContact CD1-CE3 4.02Å; F366-W374 AromaticContact CD1-CG 3.91Å; F366-W374 HydrophobicContact CD1-CG 3.91Å; F366-W374 HydrophobicContact CD1-CH2 4.42Å; F366-W374 HydrophobicContact CD1-CZ2 4.03Å; F366-W374 HydrophobicContact CD1-CZ3 4.4Å; F366-W374 AromaticContact CD1-NE1 3.83Å; F366-W374 HydrophobicContact CD2-CB 4.33Å; F366-W374 HydrophobicContact CD2-CD2 4.43Å; F366-W374 HydrophobicContact CD2-CG 4.34Å; F366-W374 AromaticContact CE1-CD2 3.93Å; F366-W374 HydrophobicContact CE1-CD2 3.93Å; F366-W374 AromaticContact CE1-CE2 3.98Å; F366-W374 AromaticContact CE1-CE3 3.86Å; F366-W374 HydrophobicContact CE1-CE3 3.86Å; F366-W374 AromaticContact CE1-CH2 3.98Å; F366-W374 HydrophobicContact CE1-CH2 3.98Å; F366-W374 HydrophobicContact CE1-CZ2 4.03Å; F366-W374 AromaticContact CE1-CZ3 3.88Å; F366-W374 HydrophobicContact CE1-CZ3 3.88Å; F366-W374 HydrophobicContact CE2-CE3 4.4Å; F366-W374 HydrophobicContact CG-CB 4.14Å; F366-W374 AromaticContact CG-CD2 3.9Å; F366-W374 HydrophobicContact CG-CD2 3.9Å; F366-W374 HydrophobicContact CG-CE3 4.38Å; F366-W374 AromaticContact CG-CG 3.76Å; F366-W374 HydrophobicContact CG-CG 3.76Å; F366-W374 HydrophobicContact CZ-CD2 4.48Å; F366-W374 HydrophobicContact CZ-CE3 4.08Å; F366-W374 HydrophobicContact CZ-CZ3 4.18Å; S370-W374 PolarHBondContact OG-NE1 3.18Å; S370-W374 VanDerWaalsContact OG-NE1 3.15Å; W374-I376 HydrophobicContact CB-CD1 4Å; W374-C400 HydrophobicContact CE3-CB 4.12Å; W374-C400 HydrophobicContact CZ3-CB 4.28Å; W374-R401 CarbonylContact C-O 3.58Å; W374-R401 VanDerWaalsContact CA-O 3.24Å; W374-R401 WeakPolarHBondContact CA-O 3.1Å; W374-P402 HydrophobicContact CD2-CB 4.38Å; W374-P402 HydrophobicContact CH2-CB 4.45Å; W374-P402 HydrophobicContact CZ2-CB 4.25Å
375	V	96.1	Very high	92.8	Very high	73 Å²	73	62.7 Å²	62.7	44%	0.442	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	120.1	169.2	-175.5	0	0	0	0	108.1	R401 N403	V375-R401 PolarHBondContact N-O 2.97Å; V375-R401 PolarHBondContact O-N 3Å; V375-N403 WeakPolarHBondContact CG2-OD1 3.41Å
376	I	97.4	Very high	92.6	Very high	30 Å²	30	64.3 Å²	64.3	15%	0.154	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	122.9	-179.8	-53.1	-54.2	0	0	0	108.3	A359 I362 T363 F366 W374 L398 D399 C400	A359-I376 HydrophobicContact CB-CG2 4.09Å; I362-I376 HydrophobicContact CG2-CD1 4.35Å; T363-I376 VanDerWaalsContact OG1-CG1 3.24Å; T363-I376 WeakPolarHBondContact OG1-CG1 3.29Å; F366-I376 HydrophobicContact CD2-CD1 3.62Å; F366-I376 HydrophobicContact CE2-CD1 3.68Å; W374-I376 HydrophobicContact CB-CD1 4Å; I376-L398 HydrophobicContact CG2-CD1 3.58Å; I376-L398 HydrophobicContact CG2-CD2 3.58Å; I376-L398 HydrophobicContact CG2-CG 3.53Å; I376-D399 CarbonylContact C-O 3.51Å; I376-D399 WeakPolarHBondContact CA-O 3.46Å; I376-C400 HydrophobicContact CD1-CB 3.67Å
377	N	98.1	Very high	92.2	Very high	89 Å²	89	69.2 Å²	69.2	48%	0.476	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	127.3	-179.1	-178.8	60.7	0	0	0	111.5	Q379 D399	N377-Q379 PolarHBondContact O-N 3.23Å; N377-D399 HydrophobicContact CB-CB 4.46Å; N377-D399 PolarHBondContact N-O 2.97Å; N377-D399 PolarHBondContact O-N 2.98Å
378	I	98.6	Very high	91.9	Very high	60 Å²	60	63.9 Å²	63.9	31%	0.308	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	107.8	172.9	-62.9	168.9	0	0	0	107.8	A355 A359 I381 L396 L398	A355-I378 HydrophobicContact CB-CD1 3.97Å; A359-I378 HydrophobicContact CB-CD1 4.25Å; A359-I378 HydrophobicContact CB-CG1 4.19Å; I378-I381 HydrophobicContact CG2-CD1 4.42Å; I378-I381 HydrophobicContact CG2-CG1 4.11Å; I378-L396 HydrophobicContact CB-CD1 4.41Å; I378-L396 HydrophobicContact CG1-CD1 4.23Å; I378-L396 HydrophobicContact CG2-CD1 3.66Å; I378-L398 HydrophobicContact CB-CD1 4.49Å; I378-L398 HydrophobicContact CG1-CD1 3.75Å
379	Q	98.1	Very high	91.7	Very high	101 Å²	101	62.9 Å²	62.9	47%	0.472	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	-45.2	178.3	-70.6	-171	-26.6	0	0	111.3	N377 D397 D399	N377-Q379 PolarHBondContact O-N 3.23Å; Q379-D397 HydrophobicContact CB-CB 4.31Å; Q379-D397 PolarHBondContact N-O 3.26Å; Q379-D399 HydrophobicContact CG-CB 3.72Å
380	H	98.3	Very high	91.6	Very high	76 Å²	76	62.5 Å²	62.5	35%	0.352	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.7	151.3	-172.6	-174.6	53.6	0	0	0	112.2	E382 D397	H380-E382 IonicContact CD2-OE2 2.94Å; H380-E382 IonicContact CE1-OE2 2.86Å; H380-E382 IonicContact NE2-OE2 3.87Å; H380-E382 PolarHBondContact NE2-OE2 2.83Å; H380-D397 HydrophobicContact CB-CB 4.11Å; H380-D397 IonicContact CD2-OD2 2.66Å; H380-D397 PolarHBondContact N-O 2.75Å; H380-D397 PolarHBondContact O-N 2.93Å
381	I	98.1	Very high	92.2	Very high	39 Å²	39	61.6 Å²	61.6	20%	0.2	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	104.6	172.2	-57.4	175.6	0	0	0	106.8	W351 R352 A355 I378 V394 V395 L396	W351-I381 HydrophobicContact CB-CG2 4.13Å; R352-I381 HydrophobicContact CG-CD1 4Å; A355-I381 HydrophobicContact CB-CD1 3.53Å; A355-I381 HydrophobicContact CB-CG1 4.1Å; I378-I381 HydrophobicContact CG2-CD1 4.42Å; I378-I381 HydrophobicContact CG2-CG1 4.11Å; I381-V394 HydrophobicContact CG2-CG1 3.31Å; I381-V395 CarbonylContact C-O 3.56Å; I381-V395 WeakPolarHBondContact CA-O 3.36Å; I381-L396 HydrophobicContact CG1-CD1 4.11Å
382	E	97.3	Very high	92.8	Very high	51 Å²	51	59.3 Å²	59.3	24%	0.238	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125	-179.6	-177.2	58.4	-144.6	0	0	110.8	H380 V384 V394 V395	H380-E382 IonicContact CD2-OE2 2.94Å; H380-E382 IonicContact CE1-OE2 2.86Å; H380-E382 IonicContact NE2-OE2 3.87Å; H380-E382 PolarHBondContact NE2-OE2 2.83Å; E382-V384 HydrophobicContact CG-CG2 4.43Å; E382-V384 PolarHBondContact O-N 3.21Å; E382-V394 CarbonylContact O-C 3.59Å; E382-V394 VanDerWaalsContact O-CA 3.23Å; E382-V394 WeakPolarHBondContact O-CA 3.48Å; E382-V394 WeakPolarHBondContact O-CG1 3.43Å; E382-V395 HydrophobicContact CB-CB 4.27Å; E382-V395 PolarHBondContact N-O 3.39Å; E382-V395 PolarHBondContact O-N 2.88Å
383	H	95.3	Very high	93.6	Very high	69 Å²	69	57 Å²	57	32%	0.319	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	102.2	170	170.9	-107	0	0	0	110	W351 K385 H392	W351-H383 HydrophobicContact CE3-CB 4.4Å; W351-H383 HydrophobicContact CH2-CB 3.69Å; W351-H383 AromaticContact CH2-CD2 3.41Å; W351-H383 VanDerWaalsContact CH2-CD2 3.41Å; W351-H383 WeakPolarHBondContact CH2-CD2 3.47Å; W351-H383 AromaticContact CH2-CG 3.49Å; W351-H383 VanDerWaalsContact CH2-CG 3.49Å; W351-H383 AromaticContact CZ2-CD2 3.65Å; W351-H383 HydrophobicContact CZ3-CB 3.57Å; W351-H383 AromaticContact CZ3-CG 3.95Å; H383-K385 VanDerWaalsContact NE2-C 3.25Å; H383-K385 PolarHBondContact NE2-O 3.15Å; H383-H392 AromaticContact CD2-ND1 3.65Å; H383-H392 AromaticContact NE2-ND1 3.11Å; H383-H392 PolarHBondContact NE2-ND1 3.43Å; H383-H392 VanDerWaalsContact NE2-ND1 3.11Å
384	V	93.7	Very high	94.1	Very high	11 Å²	11	53.2 Å²	53.2	7%	0.067	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	-52.2	-177.4	-177.3	0	0	0	0	110.8	T208 E209 E382 H393 V395	T208-V384 PolarHBondContact OG1-O 2.9Å; E209-V384 HydrophobicContact CB-CG1 3.89Å; E209-V384 HydrophobicContact CB-CG2 3.95Å; E209-V384 HydrophobicContact CG-CG2 4.2Å; E382-V384 HydrophobicContact CG-CG2 4.43Å; E382-V384 PolarHBondContact O-N 3.21Å; V384-H393 HydrophobicContact CB-CB 4.45Å; V384-H393 WeakPolarHBondContact CB-O 3.44Å; V384-H393 PolarHBondContact N-O 2.73Å; V384-V395 HydrophobicContact CG2-CG2 3.65Å
385	K	90.4	Very high	94.2	Very high	46 Å²	46	52.3 Å²	52.3	20%	0.2	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.2	165.4	-179.8	62.8	179.6	173.1	-154.2	0	112.9	G205 N206 H383 H393	G205-K385 VanDerWaalsContact C-NZ 3.31Å; G205-K385 WeakPolarHBondContact O-CD 3.43Å; G205-K385 PolarHBondContact O-NZ 3.3Å; G205-K385 VanDerWaalsContact O-NZ 3.14Å; N206-K385 WeakPolarHBondContact OD1-CE 3.06Å; N206-K385 PolarHBondContact OD1-NZ 3.37Å; H383-K385 VanDerWaalsContact NE2-C 3.25Å; H383-K385 PolarHBondContact NE2-O 3.15Å; K385-H393 HydrophobicContact CG-CB 4.1Å; K385-H393 PolarHBondContact N-O 3.44Å; K385-H393 PolarHBondContact O-N 3.37Å
386	S	91.1	Very high	94.4	Very high	73 Å²	73	48.9 Å²	48.9	51%	0.51	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.8	155.9	179.3	0	0	0	0	109.5	A388	S386-A388 PolarHBondContact OG-O 3.42Å
387	Y	87.3	Confident	94.4	Very high	107 Å²	107	47.9 Å²	47.9	42%	0.42	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	-43.7	179.5	179.9	-95.7	0	0	0	111.6	I296 N323 V391	I296-Y387 HydrophobicContact CD1-CD2 3.91Å; I296-Y387 HydrophobicContact CD1-CE2 3.61Å; N323-Y387 VanDerWaalsContact ND2-CD1 3.29Å; N323-Y387 WeakPolarHBondContact ND2-CD1 3.34Å; N323-Y387 VanDerWaalsContact ND2-CE1 3.31Å; N323-Y387 WeakPolarHBondContact ND2-CE1 3.48Å; Y387-V391 HydrophobicContact CD1-CB 4.48Å; Y387-V391 HydrophobicContact CD1-CG1 4Å; Y387-V391 HydrophobicContact CG-CG1 4.5Å; Y387-V391 PolarHBondContact N-O 3.46Å
388	A	87	Confident	94.4	Very high	37 Å²	37	43.7 Å²	43.7	31%	0.306	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	172.5	174.5	0	0	0	0	0	108.5	S386 H390 V391	S386-A388 PolarHBondContact OG-O 3.42Å; A388-H390 PolarHBondContact O-N 2.98Å; A388-H390 VanDerWaalsContact O-N 3.1Å; A388-V391 HydrophobicContact CB-CB 4.06Å; A388-V391 HydrophobicContact CB-CG2 4.21Å; A388-V391 PolarHBondContact N-O 2.99Å; A388-V391 PolarHBondContact O-N 2.96Å; A388-V391 VanDerWaalsContact O-O 3.04Å
389	P	86.5	Confident	94.4	Very high	113 Å²	113	41.9 Å²	41.9	73%	0.734	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.3	123	171.7	-27.1	36.3	0	0	0	110.7	V391	P389-V391 PolarHBondContact O-N 2.87Å; P389-V391 VanDerWaalsContact O-N 3.17Å
390	H	87.6	Confident	94.5	Very high	78 Å²	78	37 Å²	37	36%	0.361	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.2	11.3	-177.2	-45.4	-75.1	0	0	0	116	T325 S326 L328 A388	T325-H390 CarbonylContact C-O 3.6Å; T325-H390 WeakPolarHBondContact CA-O 3.48Å; S326-H390 PolarHBondContact N-O 3.36Å; L328-H390 VanDerWaalsContact CD2-CD2 3.46Å; L328-H390 WeakPolarHBondContact CD2-CD2 3.37Å; A388-H390 PolarHBondContact O-N 2.98Å; A388-H390 VanDerWaalsContact O-N 3.1Å
391	V	92.7	Very high	94.4	Very high	25 Å²	25	38.2 Å²	38.2	15%	0.152	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.9	175.9	-174.3	0	0	0	0	109.2	N323 V324 T325 Y387 A388 P389	N323-V391 HydrophobicContact CB-CG1 3.79Å; V324-V391 WeakPolarHBondContact O-CA 3.35Å; T325-V391 HydrophobicContact CG2-CG2 4.35Å; Y387-V391 HydrophobicContact CD1-CB 4.48Å; Y387-V391 HydrophobicContact CD1-CG1 4Å; Y387-V391 HydrophobicContact CG-CG1 4.5Å; Y387-V391 PolarHBondContact N-O 3.46Å; A388-V391 HydrophobicContact CB-CB 4.06Å; A388-V391 HydrophobicContact CB-CG2 4.21Å; A388-V391 PolarHBondContact N-O 2.99Å; A388-V391 PolarHBondContact O-N 2.96Å; A388-V391 VanDerWaalsContact O-O 3.04Å; P389-V391 PolarHBondContact O-N 2.87Å; P389-V391 VanDerWaalsContact O-N 3.17Å
392	H	94	Very high	94.2	Very high	21 Å²	21	37.9 Å²	37.9	10%	0.097	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.2	-177.1	-65.1	-90.6	0	0	0	110.2	N323 V324 D347 W351 H383 V394	N323-H392 CarbonylContact C-O 3.45Å; N323-H392 WeakPolarHBondContact CA-O 3.3Å; V324-H392 PolarHBondContact N-O 2.79Å; V324-H392 PolarHBondContact O-N 3.2Å; D347-H392 IonicContact OD1-NE2 3.65Å; D347-H392 IonicContact OD2-CE1 3.53Å; D347-H392 IonicContact OD2-NE2 3.74Å; W351-H392 HydrophobicContact CZ2-CB 3.95Å; W351-H392 AromaticContact CZ2-CG 3.61Å; W351-H392 AromaticContact CZ2-ND1 3.6Å; W351-H392 AromaticContact NE1-CG 3.91Å; H383-H392 AromaticContact CD2-ND1 3.65Å; H383-H392 AromaticContact NE2-ND1 3.11Å; H383-H392 PolarHBondContact NE2-ND1 3.43Å; H383-H392 VanDerWaalsContact NE2-ND1 3.11Å; H392-V394 HydrophobicContact CB-CG2 4.09Å
393	H	95.8	Very high	93.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	116.3	165.9	173.2	-159	0	0	0	107.8	H321 Q322 V384 K385	H321-H393 AromaticContact CG-NE2 3.74Å; H321-H393 AromaticContact ND1-CE1 3.58Å; H321-H393 AromaticContact ND1-NE2 3.11Å; H321-H393 PolarHBondContact ND1-NE2 2.91Å; H321-H393 VanDerWaalsContact ND1-NE2 3.11Å; Q322-H393 WeakPolarHBondContact O-CA 3.26Å; V384-H393 HydrophobicContact CB-CB 4.45Å; V384-H393 WeakPolarHBondContact CB-O 3.44Å; V384-H393 PolarHBondContact N-O 2.73Å; K385-H393 HydrophobicContact CG-CB 4.1Å; K385-H393 PolarHBondContact N-O 3.44Å; K385-H393 PolarHBondContact O-N 3.37Å
394	V	97.3	Very high	93.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	150	-179.9	-178.9	0	0	0	0	109.6	Q322 V324 W351 W354 I381 E382 H392	Q322-V394 PolarHBondContact N-O 3.36Å; Q322-V394 PolarHBondContact O-N 2.97Å; V324-V394 HydrophobicContact CG2-CB 4.28Å; V324-V394 HydrophobicContact CG2-CG2 4.27Å; W351-V394 HydrophobicContact CD2-CG2 3.95Å; W351-V394 HydrophobicContact CG-CG2 4.02Å; W354-V394 HydrophobicContact CE3-CG1 4.5Å; W354-V394 HydrophobicContact CZ3-CB 4.38Å; W354-V394 HydrophobicContact CZ3-CG1 3.91Å; I381-V394 HydrophobicContact CG2-CG1 3.31Å; E382-V394 CarbonylContact O-C 3.59Å; E382-V394 VanDerWaalsContact O-CA 3.23Å; E382-V394 WeakPolarHBondContact O-CA 3.48Å; E382-V394 WeakPolarHBondContact O-CG1 3.43Å; H392-V394 HydrophobicContact CB-CG2 4.09Å
395	V	98.5	Very high	93.5	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.1	169.5	-176.4	0	0	0	0	109.3	E209 H319 I320 H321 I381 E382 V384	E209-V395 HydrophobicContact CG-CG2 4.24Å; H319-V395 HydrophobicContact CB-CG1 4.28Å; I320-V395 CarbonylContact O-C 3.58Å; I320-V395 VanDerWaalsContact O-CA 3.31Å; I320-V395 WeakPolarHBondContact O-CA 3.29Å; H321-V395 HydrophobicContact CB-CG2 4.45Å; I381-V395 CarbonylContact C-O 3.56Å; I381-V395 WeakPolarHBondContact CA-O 3.36Å; E382-V395 HydrophobicContact CB-CB 4.27Å; E382-V395 PolarHBondContact N-O 3.39Å; E382-V395 PolarHBondContact O-N 2.88Å; V384-V395 HydrophobicContact CG2-CG2 3.65Å
396	L	98.8	Very high	93.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.4	173	172.3	62.3	0	0	0	109.3	L318 H319 I320 W354 A355 T358 I378 I381 L398	L318-L396 VanDerWaalsContact O-O 3.13Å; H319-L396 WeakPolarHBondContact CA-O 3.44Å; I320-L396 HydrophobicContact CB-CB 4.36Å; I320-L396 PolarHBondContact N-O 2.87Å; I320-L396 PolarHBondContact O-N 3.43Å; W354-L396 HydrophobicContact CH2-CB 3.61Å; W354-L396 HydrophobicContact CH2-CD2 4.43Å; W354-L396 HydrophobicContact CZ3-CB 3.76Å; A355-L396 HydrophobicContact CB-CD1 3.78Å; A355-L396 HydrophobicContact CB-CD2 4.11Å; T358-L396 HydrophobicContact CG2-CD2 3.67Å; I378-L396 HydrophobicContact CB-CD1 4.41Å; I378-L396 HydrophobicContact CG1-CD1 4.23Å; I378-L396 HydrophobicContact CG2-CD1 3.66Å; I381-L396 HydrophobicContact CG1-CD1 4.11Å; L396-L398 HydrophobicContact CD2-CD1 4.39Å; L396-L398 HydrophobicContact CG-CB 4.39Å
397	D	98.8	Very high	93.8	Very high	10 Å²	10	41.2 Å²	41.2	5%	0.053	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	113.4	169.8	-58.2	-21.9	0	0	0	108.6	R212 L318 H319 Q379 H380	R212-D397 IonicContact CZ-OD1 3.27Å; R212-D397 IonicContact CZ-OD2 2.64Å; R212-D397 IonicContact NH1-OD1 3.86Å; R212-D397 IonicContact NH1-OD2 2.94Å; R212-D397 PolarHBondContact NH1-OD2 3.48Å; R212-D397 IonicContact NH2-OD1 2.77Å; R212-D397 PolarHBondContact NH2-OD1 3.16Å; R212-D397 IonicContact NH2-OD2 2.84Å; L318-D397 WeakPolarHBondContact O-CA 3.39Å; H319-D397 IonicContact CE1-OD1 2.74Å; H319-D397 PolarHBondContact CE1-OD1 2.85Å; H319-D397 IonicContact CG-OD1 3.52Å; H319-D397 IonicContact ND1-OD1 3.18Å; H319-D397 PolarHBondContact ND1-OD1 2.86Å; Q379-D397 HydrophobicContact CB-CB 4.31Å; Q379-D397 PolarHBondContact N-O 3.26Å; H380-D397 HydrophobicContact CB-CB 4.11Å; H380-D397 IonicContact CD2-OD2 2.66Å; H380-D397 PolarHBondContact N-O 2.75Å; H380-D397 PolarHBondContact O-N 2.93Å
398	L	98.6	Very high	94.2	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	111.9	-172.5	-162.9	70.1	0	0	0	110.4	V317 L318 I320 A359 I362 I376 I378 L396 C400	V317-L398 WeakPolarHBondContact CA-O 3.26Å; L318-L398 HydrophobicContact CB-CB 4.35Å; L318-L398 PolarHBondContact N-O 3.26Å; L318-L398 PolarHBondContact O-N 3.19Å; I320-L398 HydrophobicContact CD1-CD2 4.45Å; A359-L398 HydrophobicContact CB-CD1 3.91Å; I362-L398 HydrophobicContact CB-CD2 3.96Å; I362-L398 HydrophobicContact CG1-CD2 3.94Å; I362-L398 HydrophobicContact CG2-CD2 3.83Å; I376-L398 HydrophobicContact CG2-CD1 3.58Å; I376-L398 HydrophobicContact CG2-CD2 3.58Å; I376-L398 HydrophobicContact CG2-CG 3.53Å; I378-L398 HydrophobicContact CB-CD1 4.49Å; I378-L398 HydrophobicContact CG1-CD1 3.75Å; L396-L398 HydrophobicContact CD2-CD1 4.39Å; L396-L398 HydrophobicContact CG-CB 4.39Å; L398-C400 PolarHBondContact O-SG 2.76Å
399	D	98.6	Very high	94.7	Very high	22 Å²	22	37.1 Å²	37.1	12%	0.118	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	122.9	174.8	-167.9	64.8	0	0	0	109.7	I376 N377 Q379 R401	I376-D399 CarbonylContact C-O 3.51Å; I376-D399 WeakPolarHBondContact CA-O 3.46Å; N377-D399 HydrophobicContact CB-CB 4.46Å; N377-D399 PolarHBondContact N-O 2.97Å; N377-D399 PolarHBondContact O-N 2.98Å; Q379-D399 HydrophobicContact CG-CB 3.72Å; D399-R401 IonicContact OD1-CZ 2.98Å; D399-R401 VanDerWaalsContact OD1-CZ 3.26Å; D399-R401 IonicContact OD1-NE 2.68Å; D399-R401 PolarHBondContact OD1-NE 3.02Å; D399-R401 IonicContact OD1-NH2 2.87Å; D399-R401 PolarHBondContact OD1-NH2 3.14Å; D399-R401 VanDerWaalsContact OD2-CG 3.3Å; D399-R401 WeakPolarHBondContact OD2-CG 3.44Å; D399-R401 IonicContact OD2-CZ 3.7Å; D399-R401 IonicContact OD2-NE 3.61Å; D399-R401 PolarHBondContact OD2-NE 3.02Å; D399-R401 IonicContact OD2-NH2 3.35Å
400	C	98.4	Very high	95.3	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	114.8	-175.9	-53.6	0	0	0	0	108.1	L310 G315 G316 F366 W374 I376 L398	L310-C400 HydrophobicContact CD1-CB 3.59Å; G315-C400 CarbonylContact C-O 3.52Å; G315-C400 WeakPolarHBondContact CA-O 3.14Å; G316-C400 PolarHBondContact N-O 3.49Å; G316-C400 PolarHBondContact O-N 3.3Å; F366-C400 HydrophobicContact CE2-CB 3.79Å; F366-C400 HydrophobicContact CZ-CB 3.9Å; W374-C400 HydrophobicContact CE3-CB 4.12Å; W374-C400 HydrophobicContact CZ3-CB 4.28Å; I376-C400 HydrophobicContact CD1-CB 3.67Å; L398-C400 PolarHBondContact O-SG 2.76Å
401	R	97.4	Very high	95.9	Very high	101 Å²	101	28.1 Å²	28.1	38%	0.381	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.3	-177.7	-58.1	-62.9	173.7	173.3	-4.8	111.2	T314 W374 V375 D399	T314-R401 WeakPolarHBondContact O-CD 3.33Å; T314-R401 PolarHBondContact O-NH1 2.85Å; W374-R401 CarbonylContact C-O 3.58Å; W374-R401 VanDerWaalsContact CA-O 3.24Å; W374-R401 WeakPolarHBondContact CA-O 3.1Å; V375-R401 PolarHBondContact N-O 2.97Å; V375-R401 PolarHBondContact O-N 3Å; D399-R401 IonicContact OD1-CZ 2.98Å; D399-R401 VanDerWaalsContact OD1-CZ 3.26Å; D399-R401 IonicContact OD1-NE 2.68Å; D399-R401 PolarHBondContact OD1-NE 3.02Å; D399-R401 IonicContact OD1-NH2 2.87Å; D399-R401 PolarHBondContact OD1-NH2 3.14Å; D399-R401 VanDerWaalsContact OD2-CG 3.3Å; D399-R401 WeakPolarHBondContact OD2-CG 3.44Å; D399-R401 IonicContact OD2-CZ 3.7Å; D399-R401 IonicContact OD2-NE 3.61Å; D399-R401 PolarHBondContact OD2-NE 3.02Å; D399-R401 IonicContact OD2-NH2 3.35Å
402	P	93.8	Very high	96.2	Very high	32 Å²	32	28.3 Å²	28.3	21%	0.208	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	143.8	168.3	30.9	-35.6	0	0	0	109.2	K312 W374	K312-P402 WeakPolarHBondContact O-CB 3.44Å; K312-P402 VanDerWaalsContact O-CG 3.29Å; K312-P402 WeakPolarHBondContact O-CG 3.45Å; W374-P402 HydrophobicContact CD2-CB 4.38Å; W374-P402 HydrophobicContact CH2-CB 4.45Å; W374-P402 HydrophobicContact CZ2-CB 4.25Å
403	N	84.4	Confident	96.4	Very high	154 Å²	154	29 Å²	29	82%	0.824	14%	0.144	S	C	*	.			trans	-72.3	0	170.2	-87.4	-51.2	0	0	0	112.9	S373 V375	S373-N403 VanDerWaalsContact CB-ND2 3.29Å; S373-N403 WeakPolarHBondContact CB-ND2 3.36Å; S373-N403 WeakPolarHBondContact O-CB 3.31Å; S373-N403 PolarHBondContact O-N 3.21Å; S373-N403 PolarHBondContact O-ND2 3.01Å; S373-N403 PolarHBondContact OG-ND2 3.01Å; V375-N403 WeakPolarHBondContact CG2-OD1 3.41Å

Retrieved 403 of 403 residues in 1102.8 ms (Link to these results)

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