A0A3Q0KDR9_SCHMA Loading...

S-methyl-5'-thioadenosine phosphorylase

Catalyzes the phosphorolytic cleavage of S-methyl-5'-thioadenosine (MTA) to adenine and 5-methylthioribose-1-phosphate. Involved in the breakdown of MTA, a major by-product of polyamine biosynthesis. Responsible for the first step in the methionine salvage pathway after MTA has been generated from S-adenosylmethionine. Has broad substrate specificity with 6-aminopurine nucleosides as preferred substrates.

AlphaFold DB (I0B503), UniProt , Accession A0A3Q0KDR9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 299 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	M	51.4	Low	87.1	Confident	199 Å²	199	43 Å²	43	98%	0.98	21%	0.209	S	C	*	.				0	134.8	0	-64.5	175.8	-172.6	0	0	107.9	K3	M1-K3 PolarHBondContact O-N 3.15Å
2	S	60.1	Low	85.7	Confident	31 Å²	31	41.3 Å²	41.3	22%	0.217	20%	0.204	C	C	.	.			trans	-58.6	129	172.2	54.7	0	0	0	0	109.4	V4 D272 W273 T274	S2-V4 PolarHBondContact O-N 3.41Å; S2-V4 VanDerWaalsContact O-N 3.07Å; S2-D272 PolarHBondContact N-OD1 2.88Å; S2-D272 PolarHBondContact OG-OD1 3.41Å; S2-W273 PolarHBondContact OG-N 3.42Å; S2-T274 WeakPolarHBondContact CB-OG1 3.36Å; S2-T274 PolarHBondContact OG-N 3.02Å
3	K	85.5	Confident	84.2	Confident	191 Å²	191	40.6 Å²	40.6	83%	0.83	22%	0.215	S	C	*	.			trans	-67.1	109.7	176.8	-170.7	173.2	-176.9	174.7	0	108.9	M1	M1-K3 PolarHBondContact O-N 3.15Å
4	V	97.3	Very high	83.3	Confident	17 Å²	17	37.7 Å²	37.7	10%	0.103	20%	0.199	C	C	.	.			trans	-84.3	147.9	175.1	-65.9	0	0	0	0	110.9	S2 V47 I268 W273	S2-V4 PolarHBondContact O-N 3.41Å; S2-V4 VanDerWaalsContact O-N 3.07Å; V4-V47 HydrophobicContact CG2-CG1 4.25Å; V4-I268 HydrophobicContact CB-CG2 4.26Å; V4-I268 HydrophobicContact CG1-CG2 4.38Å; V4-I268 HydrophobicContact CG2-CG2 4.24Å; V4-W273 HydrophobicContact CG1-CB 4.09Å; V4-W273 HydrophobicContact CG1-CG 3.98Å
5	K	98.3	Very high	81.9	Confident	33 Å²	33	37.9 Å²	37.9	14%	0.143	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	127.9	171.3	179.8	170.8	179.7	177.9	0	107.9	E41 A48 V50 L78 C80 T81 H82	K5-E41 IonicContact NZ-OE1 3.59Å; K5-E41 PolarHBondContact NZ-OE1 3.22Å; K5-A48 WeakPolarHBondContact CA-O 3.38Å; K5-A48 HydrophobicContact CB-CB 4.26Å; K5-A48 HydrophobicContact CD-CB 4.17Å; K5-A48 HydrophobicContact CG-CB 3.89Å; K5-V50 HydrophobicContact CD-CG2 4.36Å; K5-V50 HydrophobicContact CG-CG2 4.46Å; K5-L78 WeakPolarHBondContact CD-O 3.23Å; K5-L78 WeakPolarHBondContact CE-O 3.38Å; K5-L78 PolarHBondContact NZ-O 3.36Å; K5-C80 CarbonylContact O-C 3.2Å; K5-C80 WeakPolarHBondContact O-CA 3.43Å; K5-T81 PolarHBondContact N-OG1 2.98Å; K5-T81 PolarHBondContact O-N 3.22Å; K5-T81 PolarHBondContact O-OG1 3.3Å; K5-H82 PolarHBondContact O-N 2.93Å
6	V	98.5	Very high	80.8	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	121.1	-172	-174.1	0	0	0	0	109.9	I8 V47 A48 C49 V50 H82 L84 V265 I268	V6-I8 HydrophobicContact CG1-CG1 4.42Å; V6-V47 HydrophobicContact CG2-CG1 4.22Å; V6-A48 PolarHBondContact N-O 2.94Å; V6-C49 CarbonylContact O-C 3.56Å; V6-C49 VanDerWaalsContact O-CA 3.27Å; V6-C49 WeakPolarHBondContact O-CA 3.36Å; V6-C49 PolarHBondContact O-SG 3.23Å; V6-V50 PolarHBondContact O-N 3.43Å; V6-H82 HydrophobicContact CG1-CB 4.22Å; V6-H82 HydrophobicContact CG2-CB 4.29Å; V6-L84 HydrophobicContact CG1-CD1 4.06Å; V6-L84 HydrophobicContact CG1-CG 3.95Å; V6-V265 HydrophobicContact CB-CG1 4.49Å; V6-V265 HydrophobicContact CB-CG2 4.2Å; V6-V265 HydrophobicContact CG1-CG2 3.99Å; V6-V265 HydrophobicContact CG2-CG1 4.29Å; V6-V265 HydrophobicContact CG2-CG2 4.47Å; V6-I268 HydrophobicContact CG1-CD1 4.47Å; V6-I268 HydrophobicContact CG2-CB 4.37Å; V6-I268 HydrophobicContact CG2-CD1 4.07Å; V6-I268 HydrophobicContact CG2-CG2 3.92Å
7	G	98.3	Very high	79.6	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	140.6	165	0	0	0	0	0	110.2	V50 H82 I83 L84	G7-V50 CarbonylContact C-O 3.53Å; G7-V50 WeakPolarHBondContact CA-O 3.34Å; G7-H82 PolarHBondContact N-O 3.19Å; G7-I83 CarbonylContact O-C 3.54Å; G7-I83 VanDerWaalsContact O-CA 3.27Å; G7-I83 WeakPolarHBondContact O-CA 3.47Å; G7-L84 PolarHBondContact O-N 3.01Å
8	I	97.9	Very high	79.6	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.1	172	-60	177.8	0	0	0	108.1	V6 L19 C49 V50 V51 L52 L84 L261 V265	V6-I8 HydrophobicContact CG1-CG1 4.42Å; I8-L19 HydrophobicContact CD1-CD1 3.69Å; I8-L19 HydrophobicContact CG2-CD1 4.17Å; I8-C49 VanDerWaalsContact CD1-SG 3.56Å; I8-V50 PolarHBondContact N-O 3.13Å; I8-V51 HydrophobicContact CB-CG1 4.12Å; I8-V51 HydrophobicContact CB-CG2 4.3Å; I8-V51 HydrophobicContact CG2-CG1 4.2Å; I8-V51 WeakPolarHBondContact O-CA 3.46Å; I8-V51 WeakPolarHBondContact O-CG1 3.26Å; I8-L52 PolarHBondContact O-N 3.17Å; I8-L84 CarbonylContact C-O 3.57Å; I8-L84 VanDerWaalsContact CA-O 3.26Å; I8-L84 WeakPolarHBondContact CA-O 3.44Å; I8-L261 HydrophobicContact CG2-CD1 4.17Å; I8-V265 HydrophobicContact CD1-CG2 4.12Å
9	I	97.6	Very high	79.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	109.3	172.8	-58	178.3	0	0	0	108.8	L52 R54 L75 I83 L84 A85 T86 E211	I9-L52 WeakPolarHBondContact CA-O 3.25Å; I9-R54 HydrophobicContact CG2-CB 3.9Å; I9-R54 HydrophobicContact CG2-CG 4.38Å; I9-L75 HydrophobicContact CD1-CD1 3.79Å; I9-L75 HydrophobicContact CG1-CD1 3.67Å; I9-I83 HydrophobicContact CD1-CD1 4.47Å; I9-I83 HydrophobicContact CD1-CG2 3.86Å; I9-I83 HydrophobicContact CG1-CG2 3.95Å; I9-L84 PolarHBondContact N-O 3.43Å; I9-A85 WeakPolarHBondContact O-CA 3.44Å; I9-T86 PolarHBondContact O-N 2.95Å; I9-E211 HydrophobicContact CD1-CG 4.09Å
10	G	92.5	Very high	80.2	Confident	1 Å²	1	39.5 Å²	39.5	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	130	-179.9	0	0	0	0	0	112.4	L52 R54	G10-L52 PolarHBondContact N-O 3.2Å; G10-L52 VanDerWaalsContact N-O 3.09Å; G10-R54 VanDerWaalsContact O-CB 3.29Å; G10-R54 WeakPolarHBondContact O-CB 3.47Å; G10-R54 PolarHBondContact O-N 3.15Å
11	G	80.4	Confident	80.5	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.01	24%	0.238	C	C	.	.			trans	-76.2	-155.6	167.1	0	0	0	0	0	113.2	F14 T86	G11-F14 PolarHBondContact O-N 3.39Å; G11-T86 PolarHBondContact N-O 3.42Å; G11-T86 PolarHBondContact N-OG1 3.15Å
12	S	71.1	Confident	82.2	Confident	22 Å²	22	41.4 Å²	41.4	15%	0.154	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.7	141.3	171.9	-46.9	0	0	0	0	111.2	F14 H59 F250	S12-F14 PolarHBondContact O-N 2.95Å; S12-F14 VanDerWaalsContact O-N 3.15Å; S12-H59 VanDerWaalsContact CA-CE1 3.42Å; S12-H59 WeakPolarHBondContact CA-CE1 3.44Å; S12-H59 PolarHBondContact OG-CE1 2.81Å; S12-H59 VanDerWaalsContact OG-CE1 3.25Å; S12-F250 WeakPolarHBondContact O-CE1 3.39Å; S12-F250 VanDerWaalsContact O-CE2 3.24Å; S12-F250 WeakPolarHBondContact O-CE2 3.49Å; S12-F250 WeakPolarHBondContact O-CZ 3.48Å
13	G	65.5	Low	83.6	Confident	33 Å²	33	44.9 Å²	44.9	34%	0.34	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	-0.5	177.1	0	0	0	0	0	116.2	D15	G13-D15 PolarHBondContact N-OD2 3.45Å
14	F	72.2	Confident	83.9	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.202	C	C	.	.			trans	-104.8	23.2	168.5	-79.5	-89.9	0	0	0	112.6	G11 S12 D16 P17 L19 T86 F250 V254 V257 R258 L261	G11-F14 PolarHBondContact O-N 3.39Å; S12-F14 PolarHBondContact O-N 2.95Å; S12-F14 VanDerWaalsContact O-N 3.15Å; F14-D16 VanDerWaalsContact C-N 3.3Å; F14-D16 PolarHBondContact O-N 2.83Å; F14-P17 WeakPolarHBondContact O-CD 3.45Å; F14-L19 HydrophobicContact CE1-CD2 4.44Å; F14-T86 HydrophobicContact CD2-CG2 4.47Å; F14-T86 HydrophobicContact CE2-CG2 3.93Å; F14-T86 HydrophobicContact CZ-CG2 4.17Å; F14-F250 HydrophobicContact CD2-CE1 4.06Å; F14-F250 AromaticContact CD2-CZ 3.72Å; F14-F250 HydrophobicContact CD2-CZ 3.72Å; F14-F250 HydrophobicContact CE2-CE1 4.09Å; F14-F250 AromaticContact CE2-CZ 3.72Å; F14-F250 HydrophobicContact CE2-CZ 3.72Å; F14-V254 HydrophobicContact CD2-CG2 4.32Å; F14-V254 HydrophobicContact CE1-CG2 4.29Å; F14-V254 HydrophobicContact CE2-CG2 3.74Å; F14-V254 HydrophobicContact CZ-CG2 3.72Å; F14-V257 HydrophobicContact CE2-CG1 4.08Å; F14-V257 HydrophobicContact CZ-CB 4.16Å; F14-V257 HydrophobicContact CZ-CG1 3.72Å; F14-R258 HydrophobicContact CE1-CG 3.79Å; F14-R258 HydrophobicContact CZ-CG 4.09Å; F14-L261 HydrophobicContact CE1-CD1 4.15Å; F14-L261 HydrophobicContact CZ-CD1 4.19Å
15	D	62.8	Low	83.8	Confident	40 Å²	40	40.3 Å²	40.3	21%	0.214	22%	0.222	C	C	.	.	S	Bend	trans	-67.6	-25.3	-173.7	-49.4	-64.2	0	0	0	113.5	G13 H59	G13-D15 PolarHBondContact N-OD2 3.45Å; D15-H59 IonicContact OD1-ND1 3.93Å; D15-H59 PolarHBondContact OD1-ND1 3.1Å
16	D	62.9	Low	83.7	Confident	75 Å²	75	45 Å²	45	40%	0.401	24%	0.239	S	C	.	.	S	Bend	trans	-127.6	88.4	163.7	-176	31	0	0	0	109.9	F14 N18 K22	F14-D16 VanDerWaalsContact C-N 3.3Å; F14-D16 PolarHBondContact O-N 2.83Å; D16-N18 VanDerWaalsContact C-N 3.31Å; D16-N18 PolarHBondContact O-N 3.4Å; D16-N18 PolarHBondContact OD2-ND2 3.23Å; D16-K22 IonicContact OD1-NZ 2.72Å; D16-K22 PolarHBondContact OD1-NZ 3.01Å
17	P	61.8	Low	83.6	Confident	6 Å²	6	51.1 Å²	51.1	4%	0.039	27%	0.268	C	S	.	.			trans	-76.9	87.8	-175.7	29.6	-29.7	0	0	0	108.7	F14 L19 V51	F14-P17 WeakPolarHBondContact O-CD 3.45Å; P17-L19 HydrophobicContact CB-CD1 4.13Å; P17-L19 HydrophobicContact CB-CG 4.03Å; P17-L19 PolarHBondContact O-N 3.35Å; P17-V51 HydrophobicContact CB-CB 4.25Å; P17-V51 HydrophobicContact CB-CG1 3.57Å; P17-V51 HydrophobicContact CB-CG2 4.43Å; P17-V51 HydrophobicContact CG-CB 3.74Å; P17-V51 HydrophobicContact CG-CG1 3.3Å; P17-V51 HydrophobicContact CG-CG2 4.35Å
18	N	79.1	Confident	83.6	Confident	102 Å²	102	52.9 Å²	52.9	55%	0.545	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	52.4	165	-70	-46.1	0	0	0	110.3	D16	D16-N18 VanDerWaalsContact C-N 3.31Å; D16-N18 PolarHBondContact O-N 3.4Å; D16-N18 PolarHBondContact OD2-ND2 3.23Å
19	L	83.9	Confident	83.6	Confident	14 Å²	14	57.4 Å²	57.4	7%	0.073	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-34.1	177.3	-70.7	178.8	0	0	0	111.3	I8 F14 P17 V51 R258 L262	I8-L19 HydrophobicContact CD1-CD1 3.69Å; I8-L19 HydrophobicContact CG2-CD1 4.17Å; F14-L19 HydrophobicContact CE1-CD2 4.44Å; P17-L19 HydrophobicContact CB-CD1 4.13Å; P17-L19 HydrophobicContact CB-CG 4.03Å; P17-L19 PolarHBondContact O-N 3.35Å; L19-V51 HydrophobicContact CD1-CG1 4.37Å; L19-V51 HydrophobicContact CD1-CG2 3.95Å; L19-R258 HydrophobicContact CD2-CB 4.14Å; L19-R258 HydrophobicContact CD2-CG 3.79Å; L19-L262 HydrophobicContact CB-CD2 4.22Å; L19-L262 HydrophobicContact CD2-CD2 4.43Å; L19-L262 HydrophobicContact CD2-CG 4.45Å; L19-L262 WeakPolarHBondContact O-CD2 3.44Å
20	F	86.8	Confident	83.7	Confident	24 Å²	24	58 Å²	58	11%	0.105	31%	0.31	C	S	.	.	S	Bend	trans	-154.9	168.1	-179.2	48	-103.4	0	0	0	111.3	K22 V40 G42 F43 V44 C49 V51	F20-K22 PolarHBondContact O-N 3.45Å; F20-V40 HydrophobicContact CE2-CG1 4.36Å; F20-G42 VanDerWaalsContact CE2-N 3.31Å; F20-F43 VanDerWaalsContact CB-O 3.22Å; F20-F43 WeakPolarHBondContact CB-O 3.5Å; F20-V44 HydrophobicContact CB-CG2 4.43Å; F20-V44 HydrophobicContact CD1-CG2 3.81Å; F20-C49 HydrophobicContact CD1-CB 4.15Å; F20-C49 HydrophobicContact CE1-CB 3.5Å; F20-C49 VanDerWaalsContact CE1-SG 3.54Å; F20-C49 HydrophobicContact CZ-CB 3.92Å; F20-V51 HydrophobicContact CE1-CG2 3.49Å; F20-V51 VanDerWaalsContact CE1-CG2 3.49Å; F20-V51 HydrophobicContact CZ-CG2 3.53Å
21	K	86.2	Confident	83.9	Confident	189 Å²	189	62 Å²	62	82%	0.822	34%	0.336	S	S	*	.			trans	-65.1	119.6	172.8	-173.8	177.5	-179.9	180	0	109.8	V23	K21-V23 PolarHBondContact O-N 3.34Å
22	K	87.2	Confident	84.8	Confident	90 Å²	90	62.7 Å²	62.7	39%	0.391	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	125.1	-179.2	-53.2	-178.2	179.1	169.9	0	109.5	D16 F20 V40	D16-K22 IonicContact OD1-NZ 2.72Å; D16-K22 PolarHBondContact OD1-NZ 3.01Å; F20-K22 PolarHBondContact O-N 3.45Å; K22-V40 HydrophobicContact CB-CG1 4.07Å; K22-V40 HydrophobicContact CD-CG1 3.88Å; K22-V40 HydrophobicContact CG-CG1 3.62Å
23	V	90.7	Very high	86.1	Confident	104 Å²	104	63 Å²	63	63%	0.63	35%	0.345	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.5	-34.5	173.8	174.8	0	0	0	0	110.5	K21 E41 F43	K21-V23 PolarHBondContact O-N 3.34Å; V23-E41 PolarHBondContact N-O 2.98Å; V23-F43 HydrophobicContact CG2-CD2 3.91Å; V23-F43 HydrophobicContact CG2-CE2 4.11Å
24	G	92	Very high	87.7	Confident	26 Å²	26	68.1 Å²	68.1	27%	0.268	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	164.2	178.3	0	0	0	0	0	112.6	E41	G24-E41 PolarHBondContact N-O 3.2Å; G24-E41 PolarHBondContact O-N 3.38Å
25	V	94.3	Very high	88.9	Confident	86 Å²	86	68.6 Å²	68.6	52%	0.521	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	129.2	174.4	-179.7	0	0	0	0	107.6	T38 L39	V25-T38 VanDerWaalsContact CG1-CB 3.49Å; V25-T38 HydrophobicContact CG1-CG2 3.88Å; V25-L39 CarbonylContact C-O 3.49Å; V25-L39 WeakPolarHBondContact CA-O 3.29Å
26	R	95.6	Very high	90.6	Very high	131 Å²	131	67.4 Å²	67.4	49%	0.494	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	114.5	-178	-62.5	-67.8	-173.5	175.4	1	109.8	V28 T38 L39 E41 L78	R26-V28 HydrophobicContact CB-CG1 4Å; R26-T38 WeakPolarHBondContact O-CA 3.28Å; R26-L39 HydrophobicContact CB-CB 4.38Å; R26-L39 PolarHBondContact N-O 3.35Å; R26-L39 PolarHBondContact O-N 2.99Å; R26-E41 HydrophobicContact CG-CG 4.11Å; R26-E41 WeakPolarHBondContact CG-OE2 3.4Å; R26-E41 IonicContact CZ-OE2 3.9Å; R26-E41 IonicContact NE-OE2 3.72Å; R26-E41 PolarHBondContact NE-OE2 3.11Å; R26-E41 IonicContact NH2-OE2 3.93Å; R26-E41 PolarHBondContact NH2-OE2 3.29Å; R26-L78 HydrophobicContact CG-CD2 4.27Å
27	Q	97.3	Very high	92.2	Very high	129 Å²	129	65.3 Å²	65.3	60%	0.603	35%	0.345	S	S	*	.			trans	-89.4	113.1	162.1	-175.3	67.7	55	0	0	107.6	T38	Q27-T38 HydrophobicContact CB-CG2 4.33Å
28	V	97.8	Very high	93.8	Very high	37 Å²	37	65.9 Å²	65.9	22%	0.224	35%	0.348	C	S	.	.			trans	-124	164.9	-177.9	-55	0	0	0	0	111	R26 P35 L39 A74	R26-V28 HydrophobicContact CB-CG1 4Å; V28-P35 HydrophobicContact CG2-CG 3.8Å; V28-L39 HydrophobicContact CG2-CD1 3.68Å; V28-A74 HydrophobicContact CG2-CB 3.77Å
29	T	98	Very high	94.6	Very high	96 Å²	96	61 Å²	61	59%	0.589	32%	0.322	S	S	*	.			trans	-129.4	147.6	166.6	-61.4	0	0	0	0	107.1
30	T	98.6	Very high	95.1	Very high	11 Å²	11	60.8 Å²	60.8	7%	0.067	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-114.9	168.5	179.7	74	0	0	0	0	109.9	F32 G33 P35 A70 W73 A74	T30-F32 PolarHBondContact O-N 2.95Å; T30-F32 PolarHBondContact OG1-N 2.91Å; T30-F32 VanDerWaalsContact OG1-N 3.11Å; T30-G33 PolarHBondContact N-O 2.87Å; T30-G33 PolarHBondContact O-N 2.69Å; T30-G33 VanDerWaalsContact O-N 3.09Å; T30-G33 PolarHBondContact OG1-N 3.45Å; T30-G33 PolarHBondContact OG1-O 3.11Å; T30-P35 HydrophobicContact CG2-CG 4.35Å; T30-A70 HydrophobicContact CG2-CB 4.14Å; T30-A70 WeakPolarHBondContact CG2-O 3.49Å; T30-A70 WeakPolarHBondContact OG1-CA 3.33Å; T30-A70 WeakPolarHBondContact OG1-CB 3.29Å; T30-W73 HydrophobicContact CG2-CB 4.24Å; T30-A74 HydrophobicContact CG2-CB 3.91Å
31	P	98.4	Very high	95.5	Very high	86 Å²	86	61 Å²	61	56%	0.558	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-21.5	169	-26.2	36.5	0	0	0	113.8
32	F	98.7	Very high	95.9	Very high	15 Å²	15	52.2 Å²	52.2	7%	0.066	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.6	15.4	-177.5	-45.2	-70	0	0	0	113.3	T30 N67 R69 W73 F118 L126	T30-F32 PolarHBondContact O-N 2.95Å; T30-F32 PolarHBondContact OG1-N 2.91Å; T30-F32 VanDerWaalsContact OG1-N 3.11Å; F32-N67 PolarHBondContact O-ND2 2.79Å; F32-R69 HydrophobicContact CB-CB 3.59Å; F32-R69 HydrophobicContact CD1-CB 4.47Å; F32-R69 HydrophobicContact CD2-CB 4.08Å; F32-R69 HydrophobicContact CG-CB 3.78Å; F32-W73 HydrophobicContact CD2-CB 3.99Å; F32-W73 HydrophobicContact CD2-CD2 4.27Å; F32-W73 HydrophobicContact CD2-CG 4.01Å; F32-W73 HydrophobicContact CE2-CB 4.15Å; F32-W73 AromaticContact CE2-CD2 3.57Å; F32-W73 HydrophobicContact CE2-CD2 3.57Å; F32-W73 AromaticContact CE2-CE3 3.6Å; F32-W73 HydrophobicContact CE2-CE3 3.6Å; F32-W73 AromaticContact CE2-CG 3.81Å; F32-W73 HydrophobicContact CE2-CG 3.81Å; F32-W73 HydrophobicContact CE2-CZ3 4.19Å; F32-W73 HydrophobicContact CZ-CE3 4.35Å; F32-F118 HydrophobicContact CD1-CD1 4.48Å; F32-F118 AromaticContact CD2-CD1 3.78Å; F32-F118 HydrophobicContact CD2-CD1 3.78Å; F32-F118 AromaticContact CD2-CE1 3.89Å; F32-F118 HydrophobicContact CD2-CE1 3.89Å; F32-F118 HydrophobicContact CE1-CB 4.42Å; F32-F118 HydrophobicContact CE1-CD1 4.05Å; F32-F118 AromaticContact CE2-CD1 3.29Å; F32-F118 HydrophobicContact CE2-CD1 3.29Å; F32-F118 AromaticContact CE2-CE1 3.7Å; F32-F118 HydrophobicContact CE2-CE1 3.7Å; F32-F118 HydrophobicContact CE2-CG 4.19Å; F32-F118 HydrophobicContact CG-CD1 4.35Å; F32-F118 HydrophobicContact CZ-CB 3.91Å; F32-F118 AromaticContact CZ-CD1 3.43Å; F32-F118 HydrophobicContact CZ-CD1 3.43Å; F32-F118 VanDerWaalsContact CZ-CD1 3.43Å; F32-F118 HydrophobicContact CZ-CE1 4.31Å; F32-F118 HydrophobicContact CZ-CG 4.05Å; F32-L126 HydrophobicContact CZ-CD1 4.39Å; F32-L126 HydrophobicContact CZ-CD2 4.44Å; F32-L126 HydrophobicContact CZ-CG 4.04Å
33	G	98.4	Very high	96.3	Very high	29 Å²	29	53 Å²	53	30%	0.299	29%	0.289	S	S	.	.	B	Isolated β-bridge	trans	100	-161.6	-178.9	0	0	0	0	0	113.6	T30	T30-G33 PolarHBondContact N-O 2.87Å; T30-G33 PolarHBondContact O-N 2.69Å; T30-G33 VanDerWaalsContact O-N 3.09Å; T30-G33 PolarHBondContact OG1-N 3.45Å; T30-G33 PolarHBondContact OG1-O 3.11Å
34	K	98.5	Very high	96.5	Very high	140 Å²	140	49 Å²	49	61%	0.609	27%	0.266	S	S	*	.			trans	-85.5	139.3	-176.4	-66.4	-179.7	-178.9	178	0	110.9	N67 A70	K34-N67 PolarHBondContact O-ND2 2.96Å; K34-A70 VanDerWaalsContact C-CB 3.49Å; K34-A70 WeakPolarHBondContact O-CB 3.29Å
35	P	98.5	Very high	96.4	Very high	10 Å²	10	51 Å²	51	7%	0.065	29%	0.286	C	S	.	.			trans	-60.5	166.2	164.3	-20.6	34	0	0	0	111.5	V28 T30 D37 L39 L52 A70 N71 A74	V28-P35 HydrophobicContact CG2-CG 3.8Å; T30-P35 HydrophobicContact CG2-CG 4.35Å; P35-D37 PolarHBondContact O-N 3.25Å; P35-L39 HydrophobicContact CB-CD1 4.26Å; P35-L39 HydrophobicContact CG-CD1 4.12Å; P35-L52 HydrophobicContact CB-CD1 4.35Å; P35-L52 HydrophobicContact CB-CD2 4.39Å; P35-A70 HydrophobicContact CG-CB 4.38Å; P35-N71 WeakPolarHBondContact CA-OD1 3.09Å; P35-N71 WeakPolarHBondContact CB-OD1 3.44Å; P35-A74 HydrophobicContact CB-CB 4.49Å; P35-A74 HydrophobicContact CG-CB 3.62Å
36	S	97.7	Very high	96.4	Very high	16 Å²	16	54.8 Å²	54.8	11%	0.112	30%	0.303	C	S	.	.	S	Bend	trans	-58.4	-31.4	-179.3	-60.7	0	0	0	0	114	P53 R54 N71	S36-P53 WeakPolarHBondContact CB-O 3.43Å; S36-R54 WeakPolarHBondContact CB-O 3.44Å; S36-R54 PolarHBondContact OG-O 3.27Å; S36-N71 PolarHBondContact N-OD1 3.11Å; S36-N71 PolarHBondContact OG-ND2 3.09Å; S36-N71 PolarHBondContact OG-OD1 3.5Å
37	D	96.2	Very high	96.5	Very high	30 Å²	30	49.2 Å²	49.2	16%	0.16	28%	0.284	C	S	.	.	S	Bend	trans	-155.5	-178.6	176.4	-149.2	-63.6	0	0	0	110.7	P35 L52 P53 K57	P35-D37 PolarHBondContact O-N 3.25Å; D37-L52 HydrophobicContact CB-CD1 4.36Å; D37-P53 HydrophobicContact CB-CG 3.81Å; D37-K57 IonicContact OD1-NZ 3.94Å; D37-K57 PolarHBondContact OD1-NZ 3.26Å; D37-K57 VanDerWaalsContact OD2-CB 3.31Å; D37-K57 WeakPolarHBondContact OD2-CB 3.44Å; D37-K57 WeakPolarHBondContact OD2-CD 3.47Å; D37-K57 WeakPolarHBondContact OD2-CG 3.47Å; D37-K57 PolarHBondContact OD2-N 3.43Å
38	T	95.4	Very high	96.4	Very high	18 Å²	18	43.8 Å²	43.8	11%	0.11	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-53.4	141.7	158.5	54.3	0	0	0	0	112.6	V25 R26 Q27 K57	V25-T38 VanDerWaalsContact CG1-CB 3.49Å; V25-T38 HydrophobicContact CG1-CG2 3.88Å; R26-T38 WeakPolarHBondContact O-CA 3.28Å; Q27-T38 HydrophobicContact CB-CG2 4.33Å; T38-K57 PolarHBondContact OG1-NZ 3.46Å; T38-K57 VanDerWaalsContact OG1-NZ 3.16Å
39	L	96	Very high	96.4	Very high	0 Å²	0	42 Å²	42	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	131.2	175.3	-65.2	83.4	0	0	0	109.4	V25 R26 V28 P35 V50 L52 A74 L75 L78	V25-L39 CarbonylContact C-O 3.49Å; V25-L39 WeakPolarHBondContact CA-O 3.29Å; R26-L39 HydrophobicContact CB-CB 4.38Å; R26-L39 PolarHBondContact N-O 3.35Å; R26-L39 PolarHBondContact O-N 2.99Å; V28-L39 HydrophobicContact CG2-CD1 3.68Å; P35-L39 HydrophobicContact CB-CD1 4.26Å; P35-L39 HydrophobicContact CG-CD1 4.12Å; L39-V50 HydrophobicContact CB-CG1 3.77Å; L39-V50 HydrophobicContact CD2-CG1 3.96Å; L39-V50 HydrophobicContact CG-CG1 4.39Å; L39-L52 HydrophobicContact CD2-CD2 4.49Å; L39-L52 HydrophobicContact CG-CB 4.42Å; L39-L52 HydrophobicContact CG-CD1 4.25Å; L39-L52 HydrophobicContact CG-CD2 4.48Å; L39-A74 HydrophobicContact CD1-CB 4.23Å; L39-A74 HydrophobicContact CD2-CB 3.87Å; L39-L75 HydrophobicContact CD2-CD2 3.88Å; L39-L75 HydrophobicContact CD2-CG 4.31Å; L39-L78 HydrophobicContact CB-CD1 4.08Å; L39-L78 HydrophobicContact CD2-CD1 3.58Å; L39-L78 HydrophobicContact CG-CD1 4.4Å
40	V	94.9	Very high	96.4	Very high	10 Å²	10	37.5 Å²	37.5	6%	0.061	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	118.6	-178.5	-179.1	0	0	0	0	109.5	F20 K22 V50 V51	F20-V40 HydrophobicContact CE2-CG1 4.36Å; K22-V40 HydrophobicContact CB-CG1 4.07Å; K22-V40 HydrophobicContact CD-CG1 3.88Å; K22-V40 HydrophobicContact CG-CG1 3.62Å; V40-V50 CarbonylContact O-C 3.56Å; V40-V50 VanDerWaalsContact O-CA 3.29Å; V40-V50 WeakPolarHBondContact O-CA 3.14Å; V40-V51 PolarHBondContact N-O 3.47Å; V40-V51 PolarHBondContact O-N 2.66Å
41	E	95.7	Very high	96.3	Very high	28 Å²	28	37 Å²	37	13%	0.131	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	143.4	178.3	-60.9	-166.9	102.2	0	0	111.5	K5 V23 G24 R26 V50	K5-E41 IonicContact NZ-OE1 3.59Å; K5-E41 PolarHBondContact NZ-OE1 3.22Å; V23-E41 PolarHBondContact N-O 2.98Å; G24-E41 PolarHBondContact N-O 3.2Å; G24-E41 PolarHBondContact O-N 3.38Å; R26-E41 HydrophobicContact CG-CG 4.11Å; R26-E41 WeakPolarHBondContact CG-OE2 3.4Å; R26-E41 IonicContact CZ-OE2 3.9Å; R26-E41 IonicContact NE-OE2 3.72Å; R26-E41 PolarHBondContact NE-OE2 3.11Å; R26-E41 IonicContact NH2-OE2 3.93Å; R26-E41 PolarHBondContact NH2-OE2 3.29Å; E41-V50 HydrophobicContact CG-CG2 4.23Å
42	G	94.5	Very high	96.2	Very high	4 Å²	4	32.9 Å²	32.9	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.8	-153.9	172.7	0	0	0	0	0	111.8	F20 C49	F20-G42 VanDerWaalsContact CE2-N 3.31Å; G42-C49 PolarHBondContact N-O 3.27Å; G42-C49 PolarHBondContact O-N 3.49Å
43	F	95.1	Very high	96	Very high	107 Å²	107	32.4 Å²	32.4	47%	0.469	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	144.1	-174.9	-64.8	-93.4	0	0	0	111.8	F20 V23 G45 V47 A48	F20-F43 VanDerWaalsContact CB-O 3.22Å; F20-F43 WeakPolarHBondContact CB-O 3.5Å; V23-F43 HydrophobicContact CG2-CD2 3.91Å; V23-F43 HydrophobicContact CG2-CE2 4.11Å; F43-G45 WeakPolarHBondContact CB-O 3.46Å; F43-V47 VanDerWaalsContact CA-O 3.3Å; F43-V47 WeakPolarHBondContact CA-O 3.33Å; F43-A48 HydrophobicContact CD1-CB 4.24Å; F43-A48 HydrophobicContact CE1-CB 3.92Å
44	V	93.9	Very high	96	Very high	21 Å²	21	31 Å²	31	13%	0.127	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	108.1	164.7	-179.5	0	0	0	0	106.5	F20 D46 V47 C49 L262 V265	F20-V44 HydrophobicContact CB-CG2 4.43Å; F20-V44 HydrophobicContact CD1-CG2 3.81Å; V44-D46 PolarHBondContact O-N 3.3Å; V44-V47 PolarHBondContact N-O 2.85Å; V44-V47 WeakPolarHBondContact O-CB 3.44Å; V44-V47 PolarHBondContact O-N 3.16Å; V44-C49 HydrophobicContact CG2-CB 4.4Å; V44-L262 HydrophobicContact CG1-CD2 4.05Å; V44-L262 HydrophobicContact CG2-CD2 3.66Å; V44-V265 HydrophobicContact CB-CB 4.29Å; V44-V265 HydrophobicContact CB-CG1 3.71Å; V44-V265 HydrophobicContact CG1-CB 4.37Å; V44-V265 HydrophobicContact CG1-CG1 4.24Å; V44-V265 HydrophobicContact CG2-CB 4.46Å; V44-V265 HydrophobicContact CG2-CG1 4.05Å
45	G	91.4	Very high	95.9	Very high	68 Å²	68	24.7 Å²	24.7	70%	0.701	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	-127.1	-161.8	0	0	0	0	0	110.2	F43	F43-G45 WeakPolarHBondContact CB-O 3.46Å
46	D	94	Very high	95.7	Very high	164 Å²	164	24.4 Å²	24.4	88%	0.877	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.7	0.4	176.4	-62.7	-37.9	0	0	0	113.5	V44	V44-D46 PolarHBondContact O-N 3.3Å
47	V	96.9	Very high	95.2	Very high	15 Å²	15	29 Å²	29	9%	0.091	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	120	-176.1	-172.3	0	0	0	0	110	V4 V6 F43 V44 C49 V265	V4-V47 HydrophobicContact CG2-CG1 4.25Å; V6-V47 HydrophobicContact CG2-CG1 4.22Å; F43-V47 VanDerWaalsContact CA-O 3.3Å; F43-V47 WeakPolarHBondContact CA-O 3.33Å; V44-V47 PolarHBondContact N-O 2.85Å; V44-V47 WeakPolarHBondContact O-CB 3.44Å; V44-V47 PolarHBondContact O-N 3.16Å; V47-C49 PolarHBondContact O-N 3.31Å; V47-V265 HydrophobicContact CB-CG1 3.84Å; V47-V265 HydrophobicContact CG1-CG1 3.67Å
48	A	96.8	Very high	94.9	Very high	15 Å²	15	30.3 Å²	30.3	12%	0.124	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	131.6	175.5	0	0	0	0	0	110.6	K5 V6 F43	K5-A48 WeakPolarHBondContact CA-O 3.38Å; K5-A48 HydrophobicContact CB-CB 4.26Å; K5-A48 HydrophobicContact CD-CB 4.17Å; K5-A48 HydrophobicContact CG-CB 3.89Å; V6-A48 PolarHBondContact N-O 2.94Å; F43-A48 HydrophobicContact CD1-CB 4.24Å; F43-A48 HydrophobicContact CE1-CB 3.92Å
49	C	97.3	Very high	94.7	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	147.3	-177.8	-161.7	0	0	0	0	111.2	V6 I8 F20 G42 V44 V47	V6-C49 CarbonylContact O-C 3.56Å; V6-C49 VanDerWaalsContact O-CA 3.27Å; V6-C49 WeakPolarHBondContact O-CA 3.36Å; V6-C49 PolarHBondContact O-SG 3.23Å; I8-C49 VanDerWaalsContact CD1-SG 3.56Å; F20-C49 HydrophobicContact CD1-CB 4.15Å; F20-C49 HydrophobicContact CE1-CB 3.5Å; F20-C49 VanDerWaalsContact CE1-SG 3.54Å; F20-C49 HydrophobicContact CZ-CB 3.92Å; G42-C49 PolarHBondContact N-O 3.27Å; G42-C49 PolarHBondContact O-N 3.49Å; V44-C49 HydrophobicContact CG2-CB 4.4Å; V47-C49 PolarHBondContact O-N 3.31Å
50	V	96.8	Very high	94.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.9	173.8	-171.6	0	0	0	0	108.9	K5 V6 G7 I8 L39 V40 E41 L75 L78	K5-V50 HydrophobicContact CD-CG2 4.36Å; K5-V50 HydrophobicContact CG-CG2 4.46Å; V6-V50 PolarHBondContact O-N 3.43Å; G7-V50 CarbonylContact C-O 3.53Å; G7-V50 WeakPolarHBondContact CA-O 3.34Å; I8-V50 PolarHBondContact N-O 3.13Å; L39-V50 HydrophobicContact CB-CG1 3.77Å; L39-V50 HydrophobicContact CD2-CG1 3.96Å; L39-V50 HydrophobicContact CG-CG1 4.39Å; V40-V50 CarbonylContact O-C 3.56Å; V40-V50 VanDerWaalsContact O-CA 3.29Å; V40-V50 WeakPolarHBondContact O-CA 3.14Å; E41-V50 HydrophobicContact CG-CG2 4.23Å; V50-L75 HydrophobicContact CB-CD2 3.91Å; V50-L75 HydrophobicContact CG1-CD2 3.73Å; V50-L78 HydrophobicContact CG1-CD1 3.85Å; V50-L78 HydrophobicContact CG2-CD1 4.33Å
51	V	96.3	Very high	94.7	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	140	176	-161	0	0	0	0	111.2	I8 P17 L19 F20 V40	I8-V51 HydrophobicContact CB-CG1 4.12Å; I8-V51 HydrophobicContact CB-CG2 4.3Å; I8-V51 HydrophobicContact CG2-CG1 4.2Å; I8-V51 WeakPolarHBondContact O-CA 3.46Å; I8-V51 WeakPolarHBondContact O-CG1 3.26Å; P17-V51 HydrophobicContact CB-CB 4.25Å; P17-V51 HydrophobicContact CB-CG1 3.57Å; P17-V51 HydrophobicContact CB-CG2 4.43Å; P17-V51 HydrophobicContact CG-CB 3.74Å; P17-V51 HydrophobicContact CG-CG1 3.3Å; P17-V51 HydrophobicContact CG-CG2 4.35Å; L19-V51 HydrophobicContact CD1-CG1 4.37Å; L19-V51 HydrophobicContact CD1-CG2 3.95Å; F20-V51 HydrophobicContact CE1-CG2 3.49Å; F20-V51 VanDerWaalsContact CE1-CG2 3.49Å; F20-V51 HydrophobicContact CZ-CG2 3.53Å; V40-V51 PolarHBondContact N-O 3.47Å; V40-V51 PolarHBondContact O-N 2.66Å
52	L	96.4	Very high	94.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	119.1	178.3	174.2	59.4	0	0	0	109.8	I8 I9 G10 P35 D37 L39 N71	I8-L52 PolarHBondContact O-N 3.17Å; I9-L52 WeakPolarHBondContact CA-O 3.25Å; G10-L52 PolarHBondContact N-O 3.2Å; G10-L52 VanDerWaalsContact N-O 3.09Å; P35-L52 HydrophobicContact CB-CD1 4.35Å; P35-L52 HydrophobicContact CB-CD2 4.39Å; D37-L52 HydrophobicContact CB-CD1 4.36Å; L39-L52 HydrophobicContact CD2-CD2 4.49Å; L39-L52 HydrophobicContact CG-CB 4.42Å; L39-L52 HydrophobicContact CG-CD1 4.25Å; L39-L52 HydrophobicContact CG-CD2 4.48Å; L52-N71 HydrophobicContact CD2-CB 3.63Å
53	P	95.8	Very high	94.9	Very high	4 Å²	4	43.1 Å²	43.1	3%	0.026	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.4	172.5	29.3	-34.1	0	0	0	110.6	S36 D37 H55 G56	S36-P53 WeakPolarHBondContact CB-O 3.43Å; D37-P53 HydrophobicContact CB-CG 3.81Å; P53-H55 VanDerWaalsContact C-N 3.28Å; P53-H55 PolarHBondContact O-N 3.46Å; P53-G56 PolarHBondContact O-N 3.31Å
54	R	97.8	Very high	95.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-35.6	-173.7	-173.3	177.9	-65.2	105.4	-2.1	113.4	I9 G10 S36 V66 T86 N87 E211	I9-R54 HydrophobicContact CG2-CB 3.9Å; I9-R54 HydrophobicContact CG2-CG 4.38Å; G10-R54 VanDerWaalsContact O-CB 3.29Å; G10-R54 WeakPolarHBondContact O-CB 3.47Å; G10-R54 PolarHBondContact O-N 3.15Å; S36-R54 WeakPolarHBondContact CB-O 3.44Å; S36-R54 PolarHBondContact OG-O 3.27Å; R54-V66 HydrophobicContact CG-CG1 3.76Å; R54-V66 HydrophobicContact CG-CG2 4.11Å; R54-T86 PolarHBondContact NH1-O 3.39Å; R54-T86 PolarHBondContact NH2-O 3.41Å; R54-N87 PolarHBondContact NH2-ND2 3.06Å; R54-E211 IonicContact CZ-OE1 3.96Å; R54-E211 IonicContact CZ-OE2 3.09Å; R54-E211 IonicContact NE-OE1 2.79Å; R54-E211 IonicContact NE-OE2 2.95Å; R54-E211 PolarHBondContact NE-OE2 3.28Å; R54-E211 IonicContact NH2-OE1 3.74Å; R54-E211 PolarHBondContact NH2-OE1 2.9Å; R54-E211 IonicContact NH2-OE2 2.88Å; R54-E211 PolarHBondContact NH2-OE2 3.47Å
55	H	96.3	Very high	95.3	Very high	7 Å²	7	45.4 Å²	45.4	3%	0.032	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	7	-174.3	-60.1	-80	0	0	0	113.3	P53 H59 L60 I61	P53-H55 VanDerWaalsContact C-N 3.28Å; P53-H55 PolarHBondContact O-N 3.46Å; H55-H59 HydrophobicContact CB-CB 4.5Å; H55-H59 WeakPolarHBondContact CB-ND1 3.34Å; H55-H59 AromaticContact CD2-CE1 3.23Å; H55-H59 PolarHBondContact CD2-CE1 2.91Å; H55-H59 AromaticContact CD2-ND1 3.94Å; H55-H59 AromaticContact CD2-NE2 3.78Å; H55-H59 AromaticContact CG-CE1 3.39Å; H55-H59 AromaticContact CG-ND1 3.84Å; H55-H59 AromaticContact CG-NE2 3.68Å; H55-L60 PolarHBondContact O-N 3.49Å; H55-I61 PolarHBondContact ND1-O 2.72Å; H55-I61 PolarHBondContact O-N 3.04Å
56	G	93.8	Very high	95.6	Very high	4 Å²	4	42.5 Å²	42.5	4%	0.041	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	164	-171.6	0	0	0	0	0	113.1	P53 G58 H59	P53-G56 PolarHBondContact O-N 3.31Å; G56-G58 PolarHBondContact O-N 2.87Å; G56-H59 PolarHBondContact O-N 3.21Å
57	K	88	Confident	95.8	Very high	112 Å²	112	36.9 Å²	36.9	49%	0.487	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	132.7	169.5	-74.2	165.5	-169.4	154.6	0	109.6	D37 T38 H59	D37-K57 IonicContact OD1-NZ 3.94Å; D37-K57 PolarHBondContact OD1-NZ 3.26Å; D37-K57 VanDerWaalsContact OD2-CB 3.31Å; D37-K57 WeakPolarHBondContact OD2-CB 3.44Å; D37-K57 WeakPolarHBondContact OD2-CD 3.47Å; D37-K57 WeakPolarHBondContact OD2-CG 3.47Å; D37-K57 PolarHBondContact OD2-N 3.43Å; T38-K57 PolarHBondContact OG1-NZ 3.46Å; T38-K57 VanDerWaalsContact OG1-NZ 3.16Å; K57-H59 VanDerWaalsContact C-N 3.29Å
58	G	88.9	Confident	95.9	Very high	59 Å²	59	36.3 Å²	36.3	61%	0.608	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.6	0.4	-174.9	0	0	0	0	0	114.4	G56 L60	G56-G58 PolarHBondContact O-N 2.87Å; G58-L60 VanDerWaalsContact C-N 3.31Å; G58-L60 PolarHBondContact O-N 2.8Å
59	H	91	Very high	96	Very high	74 Å²	74	36.2 Å²	36.2	34%	0.343	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.1	38.5	170.3	-148.1	87.1	0	0	0	114.2	S12 D15 H55 G56 K57	S12-H59 VanDerWaalsContact CA-CE1 3.42Å; S12-H59 WeakPolarHBondContact CA-CE1 3.44Å; S12-H59 PolarHBondContact OG-CE1 2.81Å; S12-H59 VanDerWaalsContact OG-CE1 3.25Å; D15-H59 IonicContact OD1-ND1 3.93Å; D15-H59 PolarHBondContact OD1-ND1 3.1Å; H55-H59 HydrophobicContact CB-CB 4.5Å; H55-H59 WeakPolarHBondContact CB-ND1 3.34Å; H55-H59 AromaticContact CD2-CE1 3.23Å; H55-H59 PolarHBondContact CD2-CE1 2.91Å; H55-H59 AromaticContact CD2-ND1 3.94Å; H55-H59 AromaticContact CD2-NE2 3.78Å; H55-H59 AromaticContact CG-CE1 3.39Å; H55-H59 AromaticContact CG-ND1 3.84Å; H55-H59 AromaticContact CG-NE2 3.68Å; G56-H59 PolarHBondContact O-N 3.21Å; K57-H59 VanDerWaalsContact C-N 3.29Å
60	L	94.6	Very high	96.1	Very high	149 Å²	149	36.2 Å²	36.2	78%	0.78	20%	0.2	S	C	*	.			trans	-88.9	-11.6	-171	-62.4	178.4	0	0	0	114.4	H55 G58 P62	H55-L60 PolarHBondContact O-N 3.49Å; G58-L60 VanDerWaalsContact C-N 3.31Å; G58-L60 PolarHBondContact O-N 2.8Å; L60-P62 WeakPolarHBondContact O-CD 3.34Å
61	I	96.8	Very high	96.2	Very high	46 Å²	46	36.2 Å²	36.2	24%	0.236	20%	0.2	C	C	.	.	S	Bend	trans	-98.8	110.9	-176.8	-54.6	170	0	0	0	108.9	H55 E65 V66	H55-I61 PolarHBondContact ND1-O 2.72Å; H55-I61 PolarHBondContact O-N 3.04Å; I61-E65 HydrophobicContact CG2-CB 4.19Å; I61-V66 HydrophobicContact CG2-CB 4.45Å; I61-V66 HydrophobicContact CG2-CG2 3.91Å
62	P	97	Very high	96.3	Very high	40 Å²	40	36.2 Å²	36.2	26%	0.26	20%	0.2	S	C	.	.			trans	-68.1	157.8	178.8	29.8	-35.2	0	0	0	111.3	L60 S64 E65 V66	L60-P62 WeakPolarHBondContact O-CD 3.34Å; P62-S64 VanDerWaalsContact C-N 3.3Å; P62-S64 PolarHBondContact O-N 3.2Å; P62-S64 VanDerWaalsContact O-N 3.14Å; P62-E65 WeakPolarHBondContact CD-OE2 3.33Å; P62-E65 HydrophobicContact CG-CB 3.97Å; P62-E65 HydrophobicContact CG-CG 3.88Å; P62-E65 WeakPolarHBondContact CG-OE2 3.36Å; P62-E65 PolarHBondContact O-N 3.41Å; P62-V66 PolarHBondContact O-N 2.84Å
63	P	97.8	Very high	96.4	Very high	20 Å²	20	37.7 Å²	37.7	13%	0.13	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-52	-40.4	-174	-29	34.9	0	0	0	115.4	E65 Y68 M206 T207	P63-E65 PolarHBondContact O-N 3.4Å; P63-Y68 WeakPolarHBondContact O-CE2 3.41Å; P63-Y68 PolarHBondContact O-OH 3.28Å; P63-M206 HydrophobicContact CB-CB 3.67Å; P63-M206 HydrophobicContact CG-CB 3.74Å; P63-M206 HydrophobicContact CG-CG 4.5Å; P63-M206 HydrophobicContact CG-SD 3.95Å; P63-T207 HydrophobicContact CB-CG2 3.93Å; P63-T207 HydrophobicContact CG-CG2 4.19Å
64	S	98.5	Very high	96.6	Very high	37 Å²	37	37.5 Å²	37.5	26%	0.259	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-68.6	-17.9	-179.8	53.3	0	0	0	0	114.4	P62	P62-S64 VanDerWaalsContact C-N 3.3Å; P62-S64 PolarHBondContact O-N 3.2Å; P62-S64 VanDerWaalsContact O-N 3.14Å
65	E	98.6	Very high	96.6	Very high	138 Å²	138	37.5 Å²	37.5	65%	0.645	21%	0.205	S	C	*	.	G	3₁₀ helix	trans	-109.9	-1.9	-175	-63.2	177.4	-176.9	0	0	112.7	I61 P62 P63 N67	I61-E65 HydrophobicContact CG2-CB 4.19Å; P62-E65 WeakPolarHBondContact CD-OE2 3.33Å; P62-E65 HydrophobicContact CG-CB 3.97Å; P62-E65 HydrophobicContact CG-CG 3.88Å; P62-E65 WeakPolarHBondContact CG-OE2 3.36Å; P62-E65 PolarHBondContact O-N 3.41Å; P63-E65 PolarHBondContact O-N 3.4Å; E65-N67 PolarHBondContact O-N 3.39Å
66	V	98.4	Very high	96.7	Very high	7 Å²	7	40.4 Å²	40.4	4%	0.042	22%	0.217	C	C	.	.			trans	-59.5	126.6	172.1	173.4	0	0	0	0	108.8	R54 I61 P62 Y68	R54-V66 HydrophobicContact CG-CG1 3.76Å; R54-V66 HydrophobicContact CG-CG2 4.11Å; I61-V66 HydrophobicContact CG2-CB 4.45Å; I61-V66 HydrophobicContact CG2-CG2 3.91Å; P62-V66 PolarHBondContact O-N 2.84Å; V66-Y68 HydrophobicContact CB-CD1 4.47Å; V66-Y68 HydrophobicContact CB-CD2 4.12Å; V66-Y68 HydrophobicContact CB-CE1 4.07Å; V66-Y68 HydrophobicContact CB-CE2 3.67Å; V66-Y68 HydrophobicContact CG1-CD1 3.8Å; V66-Y68 HydrophobicContact CG1-CD2 4.17Å; V66-Y68 HydrophobicContact CG1-CE1 3.7Å; V66-Y68 HydrophobicContact CG1-CE2 4.06Å; V66-Y68 HydrophobicContact CG1-CG 4.05Å; V66-Y68 WeakPolarHBondContact O-CD2 3.36Å; V66-Y68 WeakPolarHBondContact O-CE2 3.16Å; V66-Y68 PolarHBondContact O-N 2.99Å
67	N	98.7	Very high	97	Very high	47 Å²	47	44.7 Å²	44.7	25%	0.251	24%	0.239	S	C	.	.			trans	-79.7	75	175.5	-167.6	-16.4	0	0	0	110.7	F32 K34 E65 R69 A70 N71	F32-N67 PolarHBondContact O-ND2 2.79Å; K34-N67 PolarHBondContact O-ND2 2.96Å; E65-N67 PolarHBondContact O-N 3.39Å; N67-R69 PolarHBondContact O-N 2.89Å; N67-A70 HydrophobicContact CB-CB 4.11Å; N67-A70 WeakPolarHBondContact ND2-CB 3.48Å; N67-A70 PolarHBondContact O-N 2.85Å; N67-A70 VanDerWaalsContact O-N 3.16Å; N67-A70 WeakPolarHBondContact OD1-CB 3.34Å; N67-A70 PolarHBondContact OD1-N 2.68Å; N67-N71 PolarHBondContact O-N 3.04Å
68	Y	98.8	Very high	97.4	Very high	3 Å²	3	41.1 Å²	41.1	1%	0.012	23%	0.225	C	C	.	.	H	α-helix	trans	-56.7	-38.7	-179	-62.3	-80.3	0	0	0	112.4	P63 V66 N71 V72 R114 T207 P210 E211	P63-Y68 WeakPolarHBondContact O-CE2 3.41Å; P63-Y68 PolarHBondContact O-OH 3.28Å; V66-Y68 HydrophobicContact CB-CD1 4.47Å; V66-Y68 HydrophobicContact CB-CD2 4.12Å; V66-Y68 HydrophobicContact CB-CE1 4.07Å; V66-Y68 HydrophobicContact CB-CE2 3.67Å; V66-Y68 HydrophobicContact CG1-CD1 3.8Å; V66-Y68 HydrophobicContact CG1-CD2 4.17Å; V66-Y68 HydrophobicContact CG1-CE1 3.7Å; V66-Y68 HydrophobicContact CG1-CE2 4.06Å; V66-Y68 HydrophobicContact CG1-CG 4.05Å; V66-Y68 WeakPolarHBondContact O-CD2 3.36Å; V66-Y68 WeakPolarHBondContact O-CE2 3.16Å; V66-Y68 PolarHBondContact O-N 2.99Å; Y68-N71 PolarHBondContact O-N 3.34Å; Y68-V72 WeakPolarHBondContact O-CG2 3.26Å; Y68-V72 PolarHBondContact O-N 3.18Å; Y68-R114 PolarHBondContact OH-NH1 2.94Å; Y68-T207 WeakPolarHBondContact CE1-O 3.49Å; Y68-P210 HydrophobicContact CD2-CG 3.87Å; Y68-P210 HydrophobicContact CG-CG 4.02Å; Y68-E211 HydrophobicContact CD1-CB 3.8Å; Y68-E211 HydrophobicContact CD1-CG 4.33Å; Y68-E211 HydrophobicContact CE1-CB 4.2Å
69	R	98.9	Very high	97.8	Very high	13 Å²	13	40.4 Å²	40.4	5%	0.049	22%	0.218	C	C	.	.	H	α-helix	trans	-58.2	-51.9	176	-64.4	-160.8	-63.2	178.6	-4.7	110.7	F32 N67 N71 W73 E115 T117 F118 D124 S125 L214	F32-R69 HydrophobicContact CB-CB 3.59Å; F32-R69 HydrophobicContact CD1-CB 4.47Å; F32-R69 HydrophobicContact CD2-CB 4.08Å; F32-R69 HydrophobicContact CG-CB 3.78Å; N67-R69 PolarHBondContact O-N 2.89Å; R69-N71 PolarHBondContact O-N 3.41Å; R69-W73 WeakPolarHBondContact O-CB 3.38Å; R69-W73 PolarHBondContact O-N 3.3Å; R69-E115 HydrophobicContact CG-CB 4.12Å; R69-E115 IonicContact CZ-OE2 3.28Å; R69-E115 IonicContact NH2-OE2 2.73Å; R69-T117 WeakPolarHBondContact CD-O 3.39Å; R69-T117 PolarHBondContact NH1-O 2.92Å; R69-F118 HydrophobicContact CB-CD1 4.12Å; R69-F118 HydrophobicContact CB-CE1 3.74Å; R69-F118 HydrophobicContact CG-CD1 4.18Å; R69-F118 HydrophobicContact CG-CE1 4.12Å; R69-F118 WeakPolarHBondContact O-CE1 3.46Å; R69-D124 IonicContact NH1-OD2 3.46Å; R69-D124 IonicContact NH2-OD2 3.67Å; R69-D124 PolarHBondContact NH2-OD2 3.16Å; R69-D124 VanDerWaalsContact NH2-OD2 3.09Å; R69-S125 PolarHBondContact NH1-OG 2.92Å; R69-L214 HydrophobicContact CG-CD1 3.99Å; R69-L214 HydrophobicContact CG-CD2 4.02Å
70	A	98.8	Very high	98.2	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.1	-38	-179.8	0	0	0	0	0	112.7	T30 K34 P35 N67 A74	T30-A70 HydrophobicContact CG2-CB 4.14Å; T30-A70 WeakPolarHBondContact CG2-O 3.49Å; T30-A70 WeakPolarHBondContact OG1-CA 3.33Å; T30-A70 WeakPolarHBondContact OG1-CB 3.29Å; K34-A70 VanDerWaalsContact C-CB 3.49Å; K34-A70 WeakPolarHBondContact O-CB 3.29Å; P35-A70 HydrophobicContact CG-CB 4.38Å; N67-A70 HydrophobicContact CB-CB 4.11Å; N67-A70 WeakPolarHBondContact ND2-CB 3.48Å; N67-A70 PolarHBondContact O-N 2.85Å; N67-A70 VanDerWaalsContact O-N 3.16Å; N67-A70 WeakPolarHBondContact OD1-CB 3.34Å; N67-A70 PolarHBondContact OD1-N 2.68Å; A70-A74 WeakPolarHBondContact O-CB 3.45Å; A70-A74 PolarHBondContact O-N 3.35Å
71	N	98.8	Very high	98.4	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-61.5	-53.1	178	-71.7	-9.1	0	0	0	111.8	P35 S36 L52 N67 Y68 R69 L75	P35-N71 WeakPolarHBondContact CA-OD1 3.09Å; P35-N71 WeakPolarHBondContact CB-OD1 3.44Å; S36-N71 PolarHBondContact N-OD1 3.11Å; S36-N71 PolarHBondContact OG-ND2 3.09Å; S36-N71 PolarHBondContact OG-OD1 3.5Å; L52-N71 HydrophobicContact CD2-CB 3.63Å; N67-N71 PolarHBondContact O-N 3.04Å; Y68-N71 PolarHBondContact O-N 3.34Å; R69-N71 PolarHBondContact O-N 3.41Å; N71-L75 WeakPolarHBondContact O-CG 3.42Å; N71-L75 PolarHBondContact O-N 2.97Å
72	V	98.9	Very high	98.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.1	-44.1	179.8	172.8	0	0	0	0	110.7	Y68 A74 L75 K76 I83 F118 E211 L214 A215 A218 L220	Y68-V72 WeakPolarHBondContact O-CG2 3.26Å; Y68-V72 PolarHBondContact O-N 3.18Å; V72-A74 PolarHBondContact O-N 3.04Å; V72-L75 PolarHBondContact O-N 3.11Å; V72-K76 PolarHBondContact O-N 2.67Å; V72-I83 HydrophobicContact CG1-CD1 4.36Å; V72-I83 HydrophobicContact CG2-CD1 4.49Å; V72-F118 HydrophobicContact CB-CZ 4.09Å; V72-F118 HydrophobicContact CG1-CE2 4.32Å; V72-F118 HydrophobicContact CG1-CZ 3.9Å; V72-E211 HydrophobicContact CG2-CG 4.36Å; V72-L214 HydrophobicContact CB-CB 4.35Å; V72-L214 HydrophobicContact CG1-CB 4.35Å; V72-L214 HydrophobicContact CG2-CB 4.09Å; V72-A215 HydrophobicContact CG1-CB 4.43Å; V72-A218 HydrophobicContact CG1-CB 3.75Å; V72-L220 HydrophobicContact CG1-CD1 4.27Å
73	W	98.9	Very high	98.6	Very high	31 Å²	31	27 Å²	27	12%	0.117	15%	0.149	C	C	.	.	H	α-helix	trans	-65.6	-39.5	-178.9	-166.1	-86.4	0	0	0	112.6	T30 F32 R69 L75 K76 D77 F118 L126	T30-W73 HydrophobicContact CG2-CB 4.24Å; F32-W73 HydrophobicContact CD2-CB 3.99Å; F32-W73 HydrophobicContact CD2-CD2 4.27Å; F32-W73 HydrophobicContact CD2-CG 4.01Å; F32-W73 HydrophobicContact CE2-CB 4.15Å; F32-W73 AromaticContact CE2-CD2 3.57Å; F32-W73 HydrophobicContact CE2-CD2 3.57Å; F32-W73 AromaticContact CE2-CE3 3.6Å; F32-W73 HydrophobicContact CE2-CE3 3.6Å; F32-W73 AromaticContact CE2-CG 3.81Å; F32-W73 HydrophobicContact CE2-CG 3.81Å; F32-W73 HydrophobicContact CE2-CZ3 4.19Å; F32-W73 HydrophobicContact CZ-CE3 4.35Å; R69-W73 WeakPolarHBondContact O-CB 3.38Å; R69-W73 PolarHBondContact O-N 3.3Å; W73-L75 VanDerWaalsContact C-N 3.34Å; W73-L75 PolarHBondContact O-N 3.15Å; W73-K76 HydrophobicContact CE3-CD 4.23Å; W73-K76 VanDerWaalsContact CH2-NZ 3.34Å; W73-K76 HydrophobicContact CZ3-CD 4.24Å; W73-K76 WeakPolarHBondContact O-CB 3.32Å; W73-K76 PolarHBondContact O-N 3.47Å; W73-D77 VanDerWaalsContact NE1-CG 3.32Å; W73-D77 PolarHBondContact NE1-OD1 2.8Å; W73-D77 PolarHBondContact NE1-OD2 2.92Å; W73-D77 WeakPolarHBondContact O-CB 3.35Å; W73-D77 PolarHBondContact O-N 3.22Å; W73-F118 HydrophobicContact CB-CE1 4.18Å; W73-F118 HydrophobicContact CB-CZ 4.44Å; W73-F118 HydrophobicContact CE3-CD1 4.11Å; W73-F118 HydrophobicContact CE3-CD2 4.39Å; W73-F118 AromaticContact CE3-CE1 3.97Å; W73-F118 HydrophobicContact CE3-CE1 3.97Å; W73-F118 HydrophobicContact CE3-CE2 4.28Å; W73-F118 HydrophobicContact CE3-CG 4.3Å; W73-F118 HydrophobicContact CE3-CZ 4.06Å; W73-F118 HydrophobicContact CZ3-CD2 4.48Å; W73-F118 HydrophobicContact CZ3-CG 4.42Å; W73-L126 HydrophobicContact CH2-CD1 3.73Å; W73-L126 HydrophobicContact CZ3-CD1 3.85Å
74	A	98.8	Very high	98.6	Very high	1 Å²	1	26 Å²	26	1%	0.008	14%	0.143	C	C	.	.	H	α-helix	trans	-62.2	-40.2	176	0	0	0	0	0	112.4	V28 T30 P35 L39 A70 V72 D77 L78	V28-A74 HydrophobicContact CG2-CB 3.77Å; T30-A74 HydrophobicContact CG2-CB 3.91Å; P35-A74 HydrophobicContact CB-CB 4.49Å; P35-A74 HydrophobicContact CG-CB 3.62Å; L39-A74 HydrophobicContact CD1-CB 4.23Å; L39-A74 HydrophobicContact CD2-CB 3.87Å; A70-A74 WeakPolarHBondContact O-CB 3.45Å; A70-A74 PolarHBondContact O-N 3.35Å; V72-A74 PolarHBondContact O-N 3.04Å; A74-D77 PolarHBondContact O-N 2.87Å; A74-L78 WeakPolarHBondContact O-CG 3.36Å; A74-L78 PolarHBondContact O-N 3.17Å
75	L	98.7	Very high	98.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-65.2	-41.9	174.8	-69.4	171.4	0	0	0	111.5	I9 L39 V50 N71 V72 W73 L78 G79 C80 I83	I9-L75 HydrophobicContact CD1-CD1 3.79Å; I9-L75 HydrophobicContact CG1-CD1 3.67Å; L39-L75 HydrophobicContact CD2-CD2 3.88Å; L39-L75 HydrophobicContact CD2-CG 4.31Å; V50-L75 HydrophobicContact CB-CD2 3.91Å; V50-L75 HydrophobicContact CG1-CD2 3.73Å; N71-L75 WeakPolarHBondContact O-CG 3.42Å; N71-L75 PolarHBondContact O-N 2.97Å; V72-L75 PolarHBondContact O-N 3.11Å; W73-L75 VanDerWaalsContact C-N 3.34Å; W73-L75 PolarHBondContact O-N 3.15Å; L75-L78 PolarHBondContact O-N 3.18Å; L75-G79 PolarHBondContact O-N 3.46Å; L75-C80 HydrophobicContact CB-CB 4.27Å; L75-C80 WeakPolarHBondContact O-CB 3.49Å; L75-C80 PolarHBondContact O-N 3.28Å; L75-C80 PolarHBondContact O-SG 2.97Å; L75-I83 HydrophobicContact CB-CD1 4.35Å; L75-I83 HydrophobicContact CD1-CD1 3.76Å; L75-I83 HydrophobicContact CD1-CG1 4.02Å
76	K	98.6	Very high	98.6	Very high	68 Å²	68	17.7 Å²	17.7	30%	0.296	10%	0.1	S	C	.	.	H	α-helix	trans	-58.6	-47.9	172.8	174.6	176.5	162.3	-73.9	0	111.7	V72 W73 L78 G79 A218 L220	V72-K76 PolarHBondContact O-N 2.67Å; W73-K76 HydrophobicContact CE3-CD 4.23Å; W73-K76 VanDerWaalsContact CH2-NZ 3.34Å; W73-K76 HydrophobicContact CZ3-CD 4.24Å; W73-K76 WeakPolarHBondContact O-CB 3.32Å; W73-K76 PolarHBondContact O-N 3.47Å; K76-L78 VanDerWaalsContact C-N 3.28Å; K76-L78 PolarHBondContact O-N 2.95Å; K76-G79 WeakPolarHBondContact O-CA 3.49Å; K76-G79 PolarHBondContact O-N 3.36Å; K76-A218 HydrophobicContact CD-CB 3.89Å; K76-L220 HydrophobicContact CB-CD1 4.22Å
77	D	98.4	Very high	98.4	Very high	94 Å²	94	17.4 Å²	17.4	50%	0.503	10%	0.098	S	C	.	.	H	α-helix	trans	-66.4	-29.4	-178.9	-79.4	-4	0	0	0	112.5	W73 A74 G79	W73-D77 VanDerWaalsContact NE1-CG 3.32Å; W73-D77 PolarHBondContact NE1-OD1 2.8Å; W73-D77 PolarHBondContact NE1-OD2 2.92Å; W73-D77 WeakPolarHBondContact O-CB 3.35Å; W73-D77 PolarHBondContact O-N 3.22Å; A74-D77 PolarHBondContact O-N 2.87Å; D77-G79 PolarHBondContact O-N 2.93Å
78	L	97.8	Very high	98.2	Very high	36 Å²	36	16.1 Å²	16.1	19%	0.188	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	3.1	169.9	-70.7	179.4	0	0	0	113.7	K5 R26 L39 V50 A74 L75 K76	K5-L78 WeakPolarHBondContact CD-O 3.23Å; K5-L78 WeakPolarHBondContact CE-O 3.38Å; K5-L78 PolarHBondContact NZ-O 3.36Å; R26-L78 HydrophobicContact CG-CD2 4.27Å; L39-L78 HydrophobicContact CB-CD1 4.08Å; L39-L78 HydrophobicContact CD2-CD1 3.58Å; L39-L78 HydrophobicContact CG-CD1 4.4Å; V50-L78 HydrophobicContact CG1-CD1 3.85Å; V50-L78 HydrophobicContact CG2-CD1 4.33Å; A74-L78 WeakPolarHBondContact O-CG 3.36Å; A74-L78 PolarHBondContact O-N 3.17Å; L75-L78 PolarHBondContact O-N 3.18Å; K76-L78 VanDerWaalsContact C-N 3.28Å; K76-L78 PolarHBondContact O-N 2.95Å
79	G	97.9	Very high	98.2	Very high	45 Å²	45	16.1 Å²	16.1	46%	0.464	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	21	176.2	0	0	0	0	0	114.3	L75 K76 D77	L75-G79 PolarHBondContact O-N 3.46Å; K76-G79 WeakPolarHBondContact O-CA 3.49Å; K76-G79 PolarHBondContact O-N 3.36Å; D77-G79 PolarHBondContact O-N 2.93Å
80	C	98.7	Very high	98.2	Very high	6 Å²	6	15.8 Å²	15.8	4%	0.041	10%	0.095	C	C	.	.			trans	-62.3	141.8	172.4	-59.9	0	0	0	0	110	K5 L75 L220	K5-C80 CarbonylContact O-C 3.2Å; K5-C80 WeakPolarHBondContact O-CA 3.43Å; L75-C80 HydrophobicContact CB-CB 4.27Å; L75-C80 WeakPolarHBondContact O-CB 3.49Å; L75-C80 PolarHBondContact O-N 3.28Å; L75-C80 PolarHBondContact O-SG 2.97Å; C80-L220 WeakPolarHBondContact O-CD2 3.14Å
81	T	98.8	Very high	98.2	Very high	20 Å²	20	15.8 Å²	15.8	12%	0.123	10%	0.095	C	C	.	.	S	Bend	trans	-106.1	-20.9	173.9	55.1	0	0	0	0	111.8	K5 S221 I277	K5-T81 PolarHBondContact N-OG1 2.98Å; K5-T81 PolarHBondContact O-N 3.22Å; K5-T81 PolarHBondContact O-OG1 3.3Å; T81-S221 PolarHBondContact O-N 2.87Å; T81-I277 HydrophobicContact CG2-CD1 3.72Å; T81-I277 HydrophobicContact CG2-CG1 4.44Å
82	H	98.9	Very high	98.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153	-178.9	-63.6	75.1	0	0	0	110.7	K5 V6 G7 T142 S221 I268 W273	K5-H82 PolarHBondContact O-N 2.93Å; V6-H82 HydrophobicContact CG1-CB 4.22Å; V6-H82 HydrophobicContact CG2-CB 4.29Å; G7-H82 PolarHBondContact N-O 3.19Å; H82-T142 PolarHBondContact CD2-OG1 2.87Å; H82-S221 CarbonylContact C-O 3.35Å; H82-S221 WeakPolarHBondContact CA-O 3.45Å; H82-S221 WeakPolarHBondContact CD2-CB 3.42Å; H82-I268 HydrophobicContact CB-CD1 4.4Å; H82-W273 AromaticContact CE1-CD2 3.47Å; H82-W273 VanDerWaalsContact CE1-CD2 3.47Å; H82-W273 AromaticContact CE1-CE2 3.85Å; H82-W273 AromaticContact CE1-CE3 3.69Å; H82-W273 AromaticContact CE1-CG 3.73Å; H82-W273 AromaticContact NE2-CD2 3.26Å; H82-W273 VanDerWaalsContact NE2-CD2 3.26Å; H82-W273 AromaticContact NE2-CE2 3.53Å; H82-W273 AromaticContact NE2-CE3 3.11Å; H82-W273 AromaticContact NE2-CH2 3.51Å; H82-W273 AromaticContact NE2-CZ2 3.67Å; H82-W273 AromaticContact NE2-CZ3 3.23Å; H82-W273 WeakPolarHBondContact NE2-CZ3 3.4Å
83	I	98.8	Very high	98.1	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	123.2	164.9	-63	178.9	0	0	0	108.4	G7 I9 V72 L75 A215 L220 S221 Y222 A223	G7-I83 CarbonylContact O-C 3.54Å; G7-I83 VanDerWaalsContact O-CA 3.27Å; G7-I83 WeakPolarHBondContact O-CA 3.47Å; I9-I83 HydrophobicContact CD1-CD1 4.47Å; I9-I83 HydrophobicContact CD1-CG2 3.86Å; I9-I83 HydrophobicContact CG1-CG2 3.95Å; V72-I83 HydrophobicContact CG1-CD1 4.36Å; V72-I83 HydrophobicContact CG2-CD1 4.49Å; L75-I83 HydrophobicContact CB-CD1 4.35Å; L75-I83 HydrophobicContact CD1-CD1 3.76Å; L75-I83 HydrophobicContact CD1-CG1 4.02Å; I83-A215 HydrophobicContact CD1-CB 4.31Å; I83-L220 HydrophobicContact CD1-CD1 3.52Å; I83-L220 HydrophobicContact CG1-CD1 3.99Å; I83-S221 PolarHBondContact N-O 2.8Å; I83-Y222 HydrophobicContact CB-CD2 3.8Å; I83-Y222 HydrophobicContact CB-CE2 4.46Å; I83-Y222 HydrophobicContact CG2-CD2 3.64Å; I83-Y222 HydrophobicContact CG2-CE2 3.8Å; I83-Y222 WeakPolarHBondContact O-CA 3.35Å; I83-A223 PolarHBondContact O-N 3.15Å; I83-A223 VanDerWaalsContact O-N 3.08Å
84	L	98.7	Very high	98.1	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	124	165.8	-57.3	-179.3	0	0	0	108.4	V6 G7 I8 I9 T142 L146 A223 L261 A264 V265 I268	V6-L84 HydrophobicContact CG1-CD1 4.06Å; V6-L84 HydrophobicContact CG1-CG 3.95Å; G7-L84 PolarHBondContact O-N 3.01Å; I8-L84 CarbonylContact C-O 3.57Å; I8-L84 VanDerWaalsContact CA-O 3.26Å; I8-L84 WeakPolarHBondContact CA-O 3.44Å; I9-L84 PolarHBondContact N-O 3.43Å; L84-T142 HydrophobicContact CD2-CG2 3.51Å; L84-L146 HydrophobicContact CD1-CD2 4.41Å; L84-L146 HydrophobicContact CD2-CD1 4.37Å; L84-L146 HydrophobicContact CD2-CD2 4.24Å; L84-L146 HydrophobicContact CD2-CG 4.28Å; L84-A223 HydrophobicContact CD2-CB 4.37Å; L84-L261 HydrophobicContact CB-CD2 3.79Å; L84-L261 HydrophobicContact CD1-CD2 4.03Å; L84-A264 HydrophobicContact CD1-CB 3.9Å; L84-V265 HydrophobicContact CD1-CG2 4.22Å; L84-I268 HydrophobicContact CD1-CD1 4.28Å; L84-I268 HydrophobicContact CD2-CD1 4.31Å; L84-I268 HydrophobicContact CG-CD1 4.5Å
85	A	98.5	Very high	98	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	144.5	-177.3	0	0	0	0	0	111.6	I9 E211 Y222 A223 S224 I225	I9-A85 WeakPolarHBondContact O-CA 3.44Å; A85-E211 WeakPolarHBondContact CB-OE1 3.22Å; A85-Y222 HydrophobicContact CB-CE2 3.69Å; A85-Y222 WeakPolarHBondContact CB-OH 3.19Å; A85-A223 PolarHBondContact N-O 2.89Å; A85-S224 WeakPolarHBondContact O-CA 3.43Å; A85-I225 PolarHBondContact O-N 2.94Å
86	T	97.2	Very high	98	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.2	168.7	67.7	0	0	0	0	110.8	I9 G11 F14 R54 I225 V257 L261	I9-T86 PolarHBondContact O-N 2.95Å; G11-T86 PolarHBondContact N-O 3.42Å; G11-T86 PolarHBondContact N-OG1 3.15Å; F14-T86 HydrophobicContact CD2-CG2 4.47Å; F14-T86 HydrophobicContact CE2-CG2 3.93Å; F14-T86 HydrophobicContact CZ-CG2 4.17Å; R54-T86 PolarHBondContact NH1-O 3.39Å; R54-T86 PolarHBondContact NH2-O 3.41Å; T86-I225 WeakPolarHBondContact CA-O 3.31Å; T86-I225 HydrophobicContact CG2-CG2 3.99Å; T86-V257 HydrophobicContact CG2-CG1 3.61Å; T86-L261 HydrophobicContact CG2-CD1 3.74Å
87	N	94.6	Very high	98	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	119.1	179.5	-56.2	92.1	0	0	0	109.9	R54 T207 S224 I225 A226 I227	R54-N87 PolarHBondContact NH2-ND2 3.06Å; N87-T207 PolarHBondContact ND2-OG1 3.15Å; N87-S224 PolarHBondContact OD1-OG 2.89Å; N87-I225 PolarHBondContact N-O 3.46Å; N87-A226 CarbonylContact O-C 3.51Å; N87-A226 WeakPolarHBondContact O-CA 3.27Å; N87-I227 PolarHBondContact O-N 3.46Å
88	A	95.5	Very high	97.9	Very high	20 Å²	20	20.6 Å²	20.6	17%	0.165	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	144.1	167.1	0	0	0	0	0	109.9	T229 V246 F250	A88-T229 HydrophobicContact CB-CG2 4.25Å; A88-V246 HydrophobicContact CB-CG1 4.34Å; A88-F250 HydrophobicContact CB-CD2 3.97Å; A88-F250 HydrophobicContact CB-CE2 4.13Å
89	C	97.8	Very high	97.9	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.027	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	153.4	-174.9	64.4	0	0	0	0	113	I203 V204 N205 I227 V228 T229	C89-I203 HydrophobicContact CB-CB 4.13Å; C89-I203 HydrophobicContact CB-CD1 3.73Å; C89-I203 HydrophobicContact CB-CG1 4.37Å; C89-I203 VanDerWaalsContact SG-CD1 3.57Å; C89-V204 VanDerWaalsContact CA-O 3.22Å; C89-V204 WeakPolarHBondContact CA-O 3.42Å; C89-V204 WeakPolarHBondContact CB-O 3.44Å; C89-N205 HydrophobicContact CB-CB 4.09Å; C89-I227 PolarHBondContact N-O 3.36Å; C89-I227 VanDerWaalsContact SG-C 3.52Å; C89-I227 PolarHBondContact SG-O 3.36Å; C89-V228 WeakPolarHBondContact O-CA 3.46Å; C89-T229 PolarHBondContact O-N 2.72Å; C89-T229 PolarHBondContact O-OG1 3.32Å
90	G	98.3	Very high	97.9	Very high	5 Å²	5	17 Å²	17	5%	0.052	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	138.5	167.5	0	0	0	0	0	110.7	I203 V204 D230	G90-I203 CarbonylContact O-C 3.51Å; G90-I203 VanDerWaalsContact O-CA 3.27Å; G90-I203 WeakPolarHBondContact O-CA 3.2Å; G90-I203 WeakPolarHBondContact O-CB 3.22Å; G90-V204 PolarHBondContact N-O 2.8Å; G90-V204 PolarHBondContact O-N 3.45Å; G90-D230 WeakPolarHBondContact CA-OD1 3.32Å
91	S	98.7	Very high	97.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	138.9	174.3	172.2	0	0	0	0	111.7	Q93 L96 D230 F231 W234	S91-Q93 PolarHBondContact OG-N 3.37Å; S91-Q93 VanDerWaalsContact OG-N 3.1Å; S91-Q93 PolarHBondContact OG-O 2.73Å; S91-L96 WeakPolarHBondContact CB-O 3.36Å; S91-L96 VanDerWaalsContact OG-CB 3.3Å; S91-L96 WeakPolarHBondContact OG-CB 3.36Å; S91-L96 PolarHBondContact OG-O 2.69Å; S91-D230 PolarHBondContact N-O 3.27Å; S91-F231 CarbonylContact O-C 3.54Å; S91-F231 WeakPolarHBondContact O-CA 3.43Å; S91-W234 PolarHBondContact O-NE1 3.44Å
92	L	98.8	Very high	97.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.088	C	C	.	.			trans	-103.7	-1.2	171.6	-61.9	172.2	0	0	0	112	V180 H196 K197 L201 D202 V204 D232	L92-V180 HydrophobicContact CD1-CG1 4Å; L92-H196 HydrophobicContact CD1-CB 3.71Å; L92-H196 HydrophobicContact CD2-CB 4.43Å; L92-K197 HydrophobicContact CB-CB 4.41Å; L92-K197 VanDerWaalsContact O-CD 3.26Å; L92-K197 WeakPolarHBondContact O-CD 3.19Å; L92-K197 VanDerWaalsContact O-CG 3.28Å; L92-K197 WeakPolarHBondContact O-CG 3.49Å; L92-K197 PolarHBondContact O-NZ 3.45Å; L92-L201 WeakPolarHBondContact CB-O 3.06Å; L92-L201 HydrophobicContact CD1-CB 3.82Å; L92-D202 WeakPolarHBondContact CB-O 3.15Å; L92-D202 PolarHBondContact N-O 3.28Å; L92-V204 HydrophobicContact CD1-CB 4.4Å; L92-V204 HydrophobicContact CD2-CG1 4.32Å; L92-D232 HydrophobicContact CD2-CB 4.21Å
93	Q	98.3	Very high	97.9	Very high	41 Å²	41	15.8 Å²	15.8	19%	0.192	9%	0.088	C	C	.	.	S	Bend	trans	-130.3	149.3	-172.6	-56.5	-59.6	-13.9	0	0	112.6	S91 D95 L96 L201	S91-Q93 PolarHBondContact OG-N 3.37Å; S91-Q93 VanDerWaalsContact OG-N 3.1Å; S91-Q93 PolarHBondContact OG-O 2.73Å; Q93-D95 PolarHBondContact O-N 2.89Å; Q93-L96 HydrophobicContact CB-CD1 4.22Å; Q93-L96 PolarHBondContact O-N 2.71Å; Q93-L201 PolarHBondContact NE2-O 3.12Å
94	E	97.6	Very high	97.9	Very high	126 Å²	126	15.8 Å²	15.8	59%	0.589	9%	0.088	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-39.3	-175.5	-73.1	171.4	-157.4	0	0	112.7	L96 W234	E94-L96 PolarHBondContact O-N 3.41Å; E94-W234 HydrophobicContact CB-CH2 4.49Å; E94-W234 HydrophobicContact CG-CH2 3.57Å; E94-W234 HydrophobicContact CG-CZ3 4.16Å
95	D	97.8	Very high	97.9	Very high	48 Å²	48	17 Å²	17	26%	0.257	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-2.5	-176.4	-47.6	-55.5	0	0	0	112.9	Q93 K165 H170 H174	Q93-D95 PolarHBondContact O-N 2.89Å; D95-K165 IonicContact OD1-NZ 3.97Å; D95-K165 PolarHBondContact OD1-NZ 2.92Å; D95-K165 WeakPolarHBondContact OD2-CE 3.42Å; D95-K165 IonicContact OD2-NZ 2.72Å; D95-K165 PolarHBondContact OD2-NZ 3.4Å; D95-H170 PolarHBondContact O-CE1 3.22Å; D95-H170 VanDerWaalsContact O-CE1 3.32Å; D95-H174 PolarHBondContact O-CE1 3.27Å; D95-H174 PolarHBondContact O-NE2 3.22Å
96	L	98.5	Very high	98	Very high	9 Å²	9	19.6 Å²	19.6	5%	0.047	11%	0.107	C	C	.	.	S	Bend	trans	-106.9	100.5	174	-85	76.5	0	0	0	107.9	S91 Q93 E94 V102 D202 I203 F231	S91-L96 WeakPolarHBondContact CB-O 3.36Å; S91-L96 VanDerWaalsContact OG-CB 3.3Å; S91-L96 WeakPolarHBondContact OG-CB 3.36Å; S91-L96 PolarHBondContact OG-O 2.69Å; Q93-L96 HydrophobicContact CB-CD1 4.22Å; Q93-L96 PolarHBondContact O-N 2.71Å; E94-L96 PolarHBondContact O-N 3.41Å; L96-V102 HydrophobicContact CD2-CG2 3.58Å; L96-V102 HydrophobicContact CG-CG2 4.42Å; L96-D202 HydrophobicContact CD2-CB 3.94Å; L96-I203 HydrophobicContact CD2-CG2 3.53Å; L96-F231 WeakPolarHBondContact O-CE1 3.44Å
97	V	97.8	Very high	98	Very high	30 Å²	30	21.8 Å²	21.8	18%	0.182	12%	0.116	C	C	.	.			trans	-104.7	154.5	-172.1	-49.3	0	0	0	0	112.2	G99 D100 H170 V228 F231	V97-G99 PolarHBondContact O-N 3.44Å; V97-D100 PolarHBondContact N-OD2 3.44Å; V97-D100 WeakPolarHBondContact O-CB 3.13Å; V97-D100 PolarHBondContact O-N 3.12Å; V97-H170 HydrophobicContact CG2-CB 3.92Å; V97-H170 VanDerWaalsContact CG2-CG 3.48Å; V97-H170 VanDerWaalsContact CG2-ND1 3.33Å; V97-H170 WeakPolarHBondContact CG2-ND1 3.37Å; V97-V228 WeakPolarHBondContact O-CB 3.46Å; V97-V228 WeakPolarHBondContact O-CG1 3.43Å; V97-F231 HydrophobicContact CB-CZ 3.94Å; V97-F231 HydrophobicContact CG1-CE1 4.42Å; V97-F231 HydrophobicContact CG1-CZ 3.95Å
98	P	97.6	Very high	98.3	Very high	41 Å²	41	25.1 Å²	25.1	27%	0.266	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	124.3	171.5	-29.8	36.3	0	0	0	112.2	V228 F231 Q249	P98-V228 WeakPolarHBondContact CA-O 3.25Å; P98-F231 HydrophobicContact CG-CD2 3.95Å; P98-F231 HydrophobicContact CG-CE2 3.83Å; P98-F231 HydrophobicContact CG-CZ 4.37Å; P98-Q249 HydrophobicContact CB-CG 4.05Å
99	G	97.2	Very high	98.4	Very high	7 Å²	7	27.4 Å²	27.4	7%	0.072	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	105.9	-22.4	-172.3	0	0	0	0	0	114.5	V97 V228 Q249	V97-G99 PolarHBondContact O-N 3.44Å; G99-V228 PolarHBondContact N-O 3.03Å; G99-Q249 VanDerWaalsContact CA-NE2 3.3Å
100	D	98.6	Very high	98.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.			trans	-69.5	164.5	171	-74	-13	0	0	0	112	V97 H170 P171 C172 H174 V228	V97-D100 PolarHBondContact N-OD2 3.44Å; V97-D100 WeakPolarHBondContact O-CB 3.13Å; V97-D100 PolarHBondContact O-N 3.12Å; D100-H170 VanDerWaalsContact CG-ND1 3.29Å; D100-H170 IonicContact OD1-CG 3.64Å; D100-H170 IonicContact OD1-ND1 3.33Å; D100-H170 PolarHBondContact OD1-ND1 2.82Å; D100-H170 IonicContact OD2-CE1 2.64Å; D100-H170 PolarHBondContact OD2-CE1 3.29Å; D100-H170 IonicContact OD2-ND1 3.93Å; D100-H170 PolarHBondContact OD2-ND1 2.96Å; D100-P171 WeakPolarHBondContact OD1-CA 3.41Å; D100-C172 WeakPolarHBondContact CA-O 3.34Å; D100-C172 WeakPolarHBondContact CB-O 3.26Å; D100-C172 PolarHBondContact OD1-N 3.14Å; D100-H174 IonicContact OD2-CD2 2.71Å; D100-H174 IonicContact OD2-NE2 3.7Å; D100-H174 PolarHBondContact OD2-NE2 3.03Å; D100-V228 HydrophobicContact CB-CB 4.44Å; D100-V228 HydrophobicContact CB-CG2 4.22Å; D100-V228 PolarHBondContact O-N 3.3Å
101	F	98.7	Very high	98.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	156.1	173.7	-45	-76.7	0	0	0	110.5	C172 V173 H174 I225 A226 I227 H256 V257	F101-C172 PolarHBondContact N-O 3.25Å; F101-V173 HydrophobicContact CB-CB 4.48Å; F101-V173 HydrophobicContact CB-CG1 4.47Å; F101-V173 HydrophobicContact CB-CG2 4.04Å; F101-V173 HydrophobicContact CD2-CG2 3.78Å; F101-V173 HydrophobicContact CG-CG2 4.3Å; F101-V173 CarbonylContact O-C 3.5Å; F101-V173 WeakPolarHBondContact O-CA 3.28Å; F101-H174 PolarHBondContact O-CD2 3.19Å; F101-H174 PolarHBondContact O-N 3.28Å; F101-I225 HydrophobicContact CB-CD1 4.05Å; F101-I225 HydrophobicContact CB-CG1 4.03Å; F101-I225 HydrophobicContact CG-CD1 4.36Å; F101-A226 CarbonylContact C-O 3.58Å; F101-A226 WeakPolarHBondContact CA-O 3.26Å; F101-I227 HydrophobicContact CD1-CB 4.49Å; F101-I227 HydrophobicContact CD1-CG1 4.05Å; F101-I227 HydrophobicContact CD1-CG2 4.44Å; F101-I227 HydrophobicContact CE1-CG1 4.3Å; F101-I227 HydrophobicContact CE1-CG2 4.26Å; F101-H256 HydrophobicContact CE2-CB 4.02Å; F101-H256 HydrophobicContact CZ-CB 3.67Å; F101-V257 HydrophobicContact CD1-CG2 3.72Å; F101-V257 HydrophobicContact CE1-CG2 3.31Å; F101-V257 HydrophobicContact CZ-CG2 4.19Å
102	V	98.9	Very high	98.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	122.9	175.4	-170.6	0	0	0	0	109.5	L96 L104 H174 I203 I225 A226 V228	L96-V102 HydrophobicContact CD2-CG2 3.58Å; L96-V102 HydrophobicContact CG-CG2 4.42Å; V102-L104 HydrophobicContact CB-CD2 4.31Å; V102-L104 HydrophobicContact CG1-CD2 3.77Å; V102-L104 HydrophobicContact CG1-CG 4.44Å; V102-L104 PolarHBondContact O-N 2.96Å; V102-H174 HydrophobicContact CB-CB 4.41Å; V102-H174 HydrophobicContact CG1-CB 4.17Å; V102-H174 HydrophobicContact CG2-CB 4.19Å; V102-I203 HydrophobicContact CG2-CG2 4.15Å; V102-I225 WeakPolarHBondContact O-CA 3.35Å; V102-A226 HydrophobicContact CB-CB 4.22Å; V102-A226 PolarHBondContact N-O 2.87Å; V102-A226 PolarHBondContact O-N 3.1Å; V102-V228 HydrophobicContact CG2-CG2 4.17Å
103	V	98.9	Very high	98.5	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	94.4	168	-179.4	0	0	0	0	107.9	R143 L146 I147 V173 H174	V103-R143 HydrophobicContact CG1-CB 3.87Å; V103-R143 HydrophobicContact CG1-CG 4.13Å; V103-R143 PolarHBondContact O-NH2 2.82Å; V103-L146 HydrophobicContact CG1-CB 4.27Å; V103-L146 HydrophobicContact CG1-CD1 4.3Å; V103-L146 HydrophobicContact CG2-CB 3.94Å; V103-I147 HydrophobicContact CB-CD1 4.4Å; V103-I147 HydrophobicContact CB-CG1 3.95Å; V103-I147 HydrophobicContact CG1-CD1 4.36Å; V103-I147 HydrophobicContact CG1-CG1 4.1Å; V103-I147 HydrophobicContact CG2-CG1 3.84Å; V103-V173 HydrophobicContact CG2-CG1 3.71Å; V103-H174 PolarHBondContact N-O 3.23Å
104	L	98.9	Very high	98.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.227	C	C	.	.			trans	-62	139.9	-171	-66.1	173.4	0	0	0	112.3	V102 F138 R143 G177 A179 I203 L208 S224 A226	V102-L104 HydrophobicContact CB-CD2 4.31Å; V102-L104 HydrophobicContact CG1-CD2 3.77Å; V102-L104 HydrophobicContact CG1-CG 4.44Å; V102-L104 PolarHBondContact O-N 2.96Å; L104-F138 HydrophobicContact CB-CE1 4.14Å; L104-F138 HydrophobicContact CB-CE2 4.06Å; L104-F138 HydrophobicContact CB-CZ 3.61Å; L104-R143 WeakPolarHBondContact O-CD 3.49Å; L104-R143 PolarHBondContact O-NE 3.14Å; L104-G177 WeakPolarHBondContact CD2-O 3.4Å; L104-A179 HydrophobicContact CD1-CB 3.89Å; L104-A179 HydrophobicContact CD2-CB 4.04Å; L104-I203 HydrophobicContact CD1-CD1 4.13Å; L104-I203 HydrophobicContact CD2-CD1 3.67Å; L104-I203 HydrophobicContact CD2-CG1 4.11Å; L104-I203 HydrophobicContact CG-CD1 4.33Å; L104-L208 HydrophobicContact CD1-CD2 3.93Å; L104-S224 PolarHBondContact N-O 3.4Å; L104-A226 HydrophobicContact CD1-CB 4.23Å; L104-A226 HydrophobicContact CG-CB 4.32Å
105	N	98.9	Very high	98.5	Very high	25 Å²	25	41.6 Å²	41.6	13%	0.134	22%	0.218	C	C	.	.			trans	-118.9	-17.8	171	70.2	-44.6	0	0	0	113	P137 F138 G177	N105-P137 WeakPolarHBondContact O-CD 3.41Å; N105-F138 VanDerWaalsContact C-CD2 3.46Å; N105-F138 VanDerWaalsContact C-CE2 3.45Å; N105-F138 WeakPolarHBondContact O-CD2 3.37Å; N105-G177 PolarHBondContact N-O 2.78Å; N105-G177 PolarHBondContact OD1-N 2.94Å; N105-G177 PolarHBondContact OD1-O 3.42Å
106	Q	98.9	Very high	98.6	Very high	55 Å²	55	43.3 Å²	43.3	26%	0.257	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	162.7	-175.4	-75.6	-62.9	-26.9	0	0	112.1	A135 E136 G177 S178 A179	Q106-A135 PolarHBondContact NE2-O 3.04Å; Q106-E136 PolarHBondContact NE2-OE1 3.02Å; Q106-E136 PolarHBondContact NE2-OE2 2.82Å; Q106-G177 PolarHBondContact N-O 2.96Å; Q106-S178 WeakPolarHBondContact O-CA 3.49Å; Q106-A179 PolarHBondContact O-N 3.38Å; Q106-A179 VanDerWaalsContact O-N 3.12Å
107	F	98.9	Very high	98.6	Very high	46 Å²	46	44.5 Å²	44.5	20%	0.202	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	160.5	171.2	69.6	-101.7	0	0	0	113.6	D109 M134 P137 A179 L208 V209 V212	F107-D109 HydrophobicContact CD2-CB 4.38Å; F107-D109 HydrophobicContact CE2-CB 4.17Å; F107-M134 HydrophobicContact CE1-CE 3.65Å; F107-M134 HydrophobicContact CZ-CE 3.66Å; F107-P137 HydrophobicContact CD1-CB 4.01Å; F107-P137 HydrophobicContact CD1-CG 3.62Å; F107-P137 HydrophobicContact CE1-CB 3.45Å; F107-P137 VanDerWaalsContact CE1-CB 3.45Å; F107-P137 HydrophobicContact CE1-CG 3.58Å; F107-P137 HydrophobicContact CZ-CB 4.42Å; F107-A179 CarbonylContact C-O 3.55Å; F107-A179 WeakPolarHBondContact CA-O 3.48Å; F107-A179 VanDerWaalsContact CB-O 3.3Å; F107-A179 WeakPolarHBondContact CB-O 3.37Å; F107-L208 HydrophobicContact CB-CD2 3.71Å; F107-L208 HydrophobicContact CD1-CD2 4.35Å; F107-L208 HydrophobicContact CG-CD2 4.26Å; F107-V209 HydrophobicContact CD1-CG2 4.47Å; F107-V209 HydrophobicContact CD2-CG2 3.59Å; F107-V209 HydrophobicContact CE2-CG2 3.7Å; F107-V209 HydrophobicContact CG-CG2 4.02Å; F107-V209 HydrophobicContact CZ-CG2 4.18Å; F107-V212 HydrophobicContact CD1-CG1 4Å; F107-V212 HydrophobicContact CE1-CG1 3.55Å; F107-V212 HydrophobicContact CZ-CG1 4.18Å
108	M	98.9	Very high	98.6	Very high	70 Å²	70	43.1 Å²	43.1	35%	0.345	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	123.8	164.4	-177.1	-166.3	-171.5	0	0	109.1	A179 V180 T181 M199 L201	M108-A179 PolarHBondContact N-O 3.47Å; M108-V180 HydrophobicContact CB-CB 4.41Å; M108-V180 HydrophobicContact CB-CG2 4.43Å; M108-V180 WeakPolarHBondContact O-CA 3.33Å; M108-V180 HydrophobicContact SD-CG2 4.31Å; M108-T181 PolarHBondContact O-N 2.88Å; M108-M199 HydrophobicContact CE-CE 4.44Å; M108-M199 HydrophobicContact CE-SD 3.95Å; M108-M199 HydrophobicContact SD-SD 3.96Å; M108-L201 HydrophobicContact CB-CD1 4.47Å; M108-L201 HydrophobicContact CB-CD2 3.81Å; M108-L201 HydrophobicContact SD-CD1 3.84Å
109	D	98.8	Very high	98.7	Very high	69 Å²	69	42.9 Å²	42.9	37%	0.369	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	123.3	-179.9	-173.5	13.9	0	0	0	111.6	F107 T111 V209	F107-D109 HydrophobicContact CD2-CB 4.38Å; F107-D109 HydrophobicContact CE2-CB 4.17Å; D109-T111 WeakPolarHBondContact OD1-CA 3.45Å; D109-T111 VanDerWaalsContact OD1-CB 3.26Å; D109-T111 WeakPolarHBondContact OD1-CB 3.35Å; D109-T111 WeakPolarHBondContact OD1-CG2 3.4Å; D109-T111 PolarHBondContact OD1-N 3.35Å; D109-T111 PolarHBondContact OD1-OG1 2.9Å; D109-V209 HydrophobicContact CB-CG1 4.24Å; D109-V209 HydrophobicContact CB-CG2 4.5Å; D109-V209 WeakPolarHBondContact OD2-CG1 3.49Å
110	K	98.7	Very high	98.7	Very high	84 Å²	84	43.5 Å²	43.5	37%	0.365	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	20.8	168.2	-66	-170.9	71.4	179.2	0	111.6	V180 T181 H196	K110-V180 HydrophobicContact CB-CG2 4.46Å; K110-V180 HydrophobicContact CD-CG2 3.76Å; K110-V180 HydrophobicContact CG-CG2 3.93Å; K110-T181 CarbonylContact C-O 3.4Å; K110-T181 WeakPolarHBondContact CA-O 3.43Å; K110-T181 WeakPolarHBondContact CB-O 3.29Å; K110-T181 PolarHBondContact N-O 3.45Å; K110-H196 VanDerWaalsContact CD-NE2 3.27Å; K110-H196 WeakPolarHBondContact CD-NE2 3.42Å; K110-H196 PolarHBondContact NZ-NE2 2.77Å; K110-H196 VanDerWaalsContact NZ-NE2 3.2Å
111	T	98.8	Very high	98.7	Very high	21 Å²	21	49.5 Å²	49.5	13%	0.129	27%	0.269	C	S	.	.			trans	-79.7	158.2	174.7	71.3	0	0	0	0	110.9	D109 T181 V209	D109-T111 WeakPolarHBondContact OD1-CA 3.45Å; D109-T111 VanDerWaalsContact OD1-CB 3.26Å; D109-T111 WeakPolarHBondContact OD1-CB 3.35Å; D109-T111 WeakPolarHBondContact OD1-CG2 3.4Å; D109-T111 PolarHBondContact OD1-N 3.35Å; D109-T111 PolarHBondContact OD1-OG1 2.9Å; T111-T181 HydrophobicContact CG2-CG2 3.44Å; T111-T181 VanDerWaalsContact CG2-CG2 3.44Å; T111-T181 PolarHBondContact N-O 2.9Å; T111-V209 HydrophobicContact CG2-CB 4.27Å
112	W	98.7	Very high	98.6	Very high	189 Å²	189	55.1 Å²	55.1	72%	0.716	29%	0.294	S	S	*	.			trans	-156.6	156.1	175.8	61.4	-90.1	0	0	0	110.4	R114 N183	W112-R114 PolarHBondContact O-N 3.09Å; W112-R114 VanDerWaalsContact O-N 3.14Å; W112-N183 PolarHBondContact N-OD1 3.37Å; W112-N183 VanDerWaalsContact N-OD1 3.1Å; W112-N183 PolarHBondContact NE1-ND2 3.39Å; W112-N183 PolarHBondContact O-ND2 3.41Å; W112-N183 PolarHBondContact O-OD1 2.78Å; W112-N183 VanDerWaalsContact O-OD1 3.12Å
113	G	98.4	Very high	98.6	Very high	75 Å²	75	61.9 Å²	61.9	77%	0.773	34%	0.337	S	S	*	.	S	Bend	trans	72	-0.1	178.2	0	0	0	0	0	115.4
114	R	98.6	Very high	98.5	Very high	18 Å²	18	65.3 Å²	65.3	7%	0.068	36%	0.356	C	S	.	.	S	Bend	trans	-87.7	140.6	176.6	-55.5	177.4	-172.4	-161.5	-8.5	110.1	Y68 W112 N116 N183 M206 V209 P210	Y68-R114 PolarHBondContact OH-NH1 2.94Å; W112-R114 PolarHBondContact O-N 3.09Å; W112-R114 VanDerWaalsContact O-N 3.14Å; R114-N116 PolarHBondContact O-N 3.2Å; R114-N116 VanDerWaalsContact O-N 3.11Å; R114-N183 PolarHBondContact NE-OD1 2.74Å; R114-N183 PolarHBondContact NH2-O 2.86Å; R114-M206 PolarHBondContact NH1-O 3.37Å; R114-M206 PolarHBondContact NH2-O 2.91Å; R114-V209 PolarHBondContact NH1-O 3.15Å; R114-P210 HydrophobicContact CB-CG 4.42Å
115	E	98.7	Very high	98.4	Very high	87 Å²	87	66.2 Å²	66.2	41%	0.407	36%	0.362	S	S	.	.			trans	-70	105.4	170.9	-65.3	-63.3	160.9	0	0	109.8	R69	R69-E115 HydrophobicContact CG-CB 4.12Å; R69-E115 IonicContact CZ-OE2 3.28Å; R69-E115 IonicContact NH2-OE2 2.73Å
116	N	98.7	Very high	98.4	Very high	83 Å²	83	67.4 Å²	67.4	44%	0.444	37%	0.369	S	S	.	.			trans	-110.9	1.5	-164.7	66.5	-6.5	0	0	0	115.4	R114 P210	R114-N116 PolarHBondContact O-N 3.2Å; R114-N116 VanDerWaalsContact O-N 3.11Å; N116-P210 HydrophobicContact CB-CB 3.6Å; N116-P210 HydrophobicContact CB-CG 4.1Å
117	T	98.9	Very high	98.4	Very high	35 Å²	35	73.7 Å²	73.7	22%	0.215	40%	0.395	C	S	.	.			trans	-142.9	151.6	174.5	-177.6	0	0	0	0	110.9	R69 Y119 E217	R69-T117 WeakPolarHBondContact CD-O 3.39Å; R69-T117 PolarHBondContact NH1-O 2.92Å; T117-Y119 VanDerWaalsContact C-N 3.35Å; T117-Y119 VanDerWaalsContact CG2-O 3.26Å; T117-Y119 WeakPolarHBondContact CG2-O 3.47Å; T117-Y119 PolarHBondContact OG1-N 3.39Å; T117-E217 WeakPolarHBondContact CA-OE2 3.5Å; T117-E217 VanDerWaalsContact CB-OE1 3.25Å; T117-E217 WeakPolarHBondContact CB-OE1 3.46Å; T117-E217 VanDerWaalsContact OG1-CD 3.26Å; T117-E217 PolarHBondContact OG1-OE1 2.78Å; T117-E217 PolarHBondContact OG1-OE2 3.29Å
118	F	98.8	Very high	98.3	Very high	0 Å²	0	72 Å²	72	0%	0	39%	0.391	C	S	.	.	S	Bend	trans	-79.9	-18.3	170.6	-61.9	-58.2	0	0	0	113.1	F32 R69 V72 W73 L126 L214 E217 A218	F32-F118 HydrophobicContact CD1-CD1 4.48Å; F32-F118 AromaticContact CD2-CD1 3.78Å; F32-F118 HydrophobicContact CD2-CD1 3.78Å; F32-F118 AromaticContact CD2-CE1 3.89Å; F32-F118 HydrophobicContact CD2-CE1 3.89Å; F32-F118 HydrophobicContact CE1-CB 4.42Å; F32-F118 HydrophobicContact CE1-CD1 4.05Å; F32-F118 AromaticContact CE2-CD1 3.29Å; F32-F118 HydrophobicContact CE2-CD1 3.29Å; F32-F118 AromaticContact CE2-CE1 3.7Å; F32-F118 HydrophobicContact CE2-CE1 3.7Å; F32-F118 HydrophobicContact CE2-CG 4.19Å; F32-F118 HydrophobicContact CG-CD1 4.35Å; F32-F118 HydrophobicContact CZ-CB 3.91Å; F32-F118 AromaticContact CZ-CD1 3.43Å; F32-F118 HydrophobicContact CZ-CD1 3.43Å; F32-F118 VanDerWaalsContact CZ-CD1 3.43Å; F32-F118 HydrophobicContact CZ-CE1 4.31Å; F32-F118 HydrophobicContact CZ-CG 4.05Å; R69-F118 HydrophobicContact CB-CD1 4.12Å; R69-F118 HydrophobicContact CB-CE1 3.74Å; R69-F118 HydrophobicContact CG-CD1 4.18Å; R69-F118 HydrophobicContact CG-CE1 4.12Å; R69-F118 WeakPolarHBondContact O-CE1 3.46Å; V72-F118 HydrophobicContact CB-CZ 4.09Å; V72-F118 HydrophobicContact CG1-CE2 4.32Å; V72-F118 HydrophobicContact CG1-CZ 3.9Å; W73-F118 HydrophobicContact CB-CE1 4.18Å; W73-F118 HydrophobicContact CB-CZ 4.44Å; W73-F118 HydrophobicContact CE3-CD1 4.11Å; W73-F118 HydrophobicContact CE3-CD2 4.39Å; W73-F118 AromaticContact CE3-CE1 3.97Å; W73-F118 HydrophobicContact CE3-CE1 3.97Å; W73-F118 HydrophobicContact CE3-CE2 4.28Å; W73-F118 HydrophobicContact CE3-CG 4.3Å; W73-F118 HydrophobicContact CE3-CZ 4.06Å; W73-F118 HydrophobicContact CZ3-CD2 4.48Å; W73-F118 HydrophobicContact CZ3-CG 4.42Å; F118-L126 HydrophobicContact CB-CD1 4.09Å; F118-L126 WeakPolarHBondContact O-CB 3.36Å; F118-L126 PolarHBondContact O-N 3.33Å; F118-L214 HydrophobicContact CD1-CD2 4.08Å; F118-L214 HydrophobicContact CD2-CD2 3.98Å; F118-L214 HydrophobicContact CE1-CD2 3.97Å; F118-L214 HydrophobicContact CE2-CB 4.04Å; F118-L214 HydrophobicContact CE2-CD2 3.85Å; F118-L214 VanDerWaalsContact CE2-O 3.29Å; F118-L214 WeakPolarHBondContact CE2-O 3.29Å; F118-L214 HydrophobicContact CG-CD2 4.11Å; F118-L214 HydrophobicContact CZ-CB 3.99Å; F118-L214 HydrophobicContact CZ-CD2 3.84Å; F118-L214 HydrophobicContact CZ-CG 4.45Å; F118-E217 HydrophobicContact CD2-CB 3.74Å; F118-E217 WeakPolarHBondContact CD2-OE2 3.42Å; F118-E217 HydrophobicContact CE2-CB 4.12Å; F118-E217 PolarHBondContact N-OE2 3.02Å; F118-A218 HydrophobicContact CE2-CB 4.01Å
119	Y	98.7	Very high	98.2	Very high	36 Å²	36	72 Å²	72	14%	0.141	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	150.6	-168.1	-69.3	-95.5	0	0	0	112.6	T117 L126 L130	T117-Y119 VanDerWaalsContact C-N 3.35Å; T117-Y119 VanDerWaalsContact CG2-O 3.26Å; T117-Y119 WeakPolarHBondContact CG2-O 3.47Å; T117-Y119 PolarHBondContact OG1-N 3.39Å; Y119-L126 CarbonylContact C-O 3.57Å; Y119-L126 VanDerWaalsContact CA-O 3.29Å; Y119-L126 WeakPolarHBondContact CA-O 3.38Å; Y119-L126 HydrophobicContact CD1-CB 3.75Å; Y119-L126 HydrophobicContact CE1-CB 3.83Å; Y119-L126 HydrophobicContact CE1-CD1 4.12Å; Y119-L126 HydrophobicContact CE2-CD1 4.12Å; Y119-L126 HydrophobicContact CG-CB 4.25Å; Y119-L130 HydrophobicContact CD2-CB 3.81Å; Y119-L130 HydrophobicContact CD2-CD2 3.49Å; Y119-L130 VanDerWaalsContact CD2-CD2 3.49Å; Y119-L130 HydrophobicContact CD2-CG 4.23Å; Y119-L130 HydrophobicContact CE2-CB 4.48Å; Y119-L130 HydrophobicContact CE2-CD2 3.57Å; Y119-L130 HydrophobicContact CE2-CG 4.49Å; Y119-L130 HydrophobicContact CG-CB 3.83Å; Y119-L130 HydrophobicContact CG-CD2 4.36Å
120	G	98.1	Very high	98.2	Very high	21 Å²	21	69.4 Å²	69.4	22%	0.216	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.4	-168.3	172.6	0	0	0	0	0	113.1	L126 G128	G120-L126 PolarHBondContact N-O 3.37Å; G120-G128 WeakPolarHBondContact CA-O 3.08Å; G120-G128 PolarHBondContact N-O 3.48Å; G120-G128 VanDerWaalsContact N-O 3.16Å
121	S	97.9	Very high	98.2	Very high	125 Å²	125	71.5 Å²	71.5	87%	0.874	39%	0.391	S	S	*	.	S	Bend	trans	-94.2	-12.3	176.5	57.8	0	0	0	0	113.6
122	K	97.5	Very high	98.2	Very high	119 Å²	119	71.9 Å²	71.9	52%	0.517	39%	0.392	S	S	.	.	S	Bend	trans	-72.1	148.2	179.5	-60.9	-179	-176.8	171.9	0	111	D124 S125	K122-D124 WeakPolarHBondContact CB-OD1 3.3Å; K122-D124 PolarHBondContact O-N 2.89Å; K122-S125 PolarHBondContact O-N 2.97Å; K122-S125 VanDerWaalsContact O-N 3.1Å
123	P	97.2	Very high	98.2	Very high	141 Å²	141	66.1 Å²	66.1	92%	0.916	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.4	179.9	-24.6	34.7	0	0	0	115.4	S125	P123-S125 VanDerWaalsContact C-N 3.31Å
124	D	97	Very high	98.2	Very high	72 Å²	72	64.9 Å²	64.9	39%	0.385	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	3.4	178.3	70.1	-59	0	0	0	113.6	R69 K122	R69-D124 IonicContact NH1-OD2 3.46Å; R69-D124 IonicContact NH2-OD2 3.67Å; R69-D124 PolarHBondContact NH2-OD2 3.16Å; R69-D124 VanDerWaalsContact NH2-OD2 3.09Å; K122-D124 WeakPolarHBondContact CB-OD1 3.3Å; K122-D124 PolarHBondContact O-N 2.89Å
125	S	98.3	Very high	98.2	Very high	20 Å²	20	68 Å²	68	14%	0.14	38%	0.383	C	S	.	.	S	Bend	trans	-113.6	156.8	176.3	-67.2	0	0	0	0	111.6	R69 K122 P123 K127	R69-S125 PolarHBondContact NH1-OG 2.92Å; K122-S125 PolarHBondContact O-N 2.97Å; K122-S125 VanDerWaalsContact O-N 3.1Å; P123-S125 VanDerWaalsContact C-N 3.31Å; S125-K127 PolarHBondContact O-N 3.04Å
126	L	98.4	Very high	98.2	Very high	50 Å²	50	69 Å²	69	26%	0.262	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	135.2	166.6	-57.8	178.8	0	0	0	109.1	F32 W73 F118 Y119 G120 G128	F32-L126 HydrophobicContact CZ-CD1 4.39Å; F32-L126 HydrophobicContact CZ-CD2 4.44Å; F32-L126 HydrophobicContact CZ-CG 4.04Å; W73-L126 HydrophobicContact CH2-CD1 3.73Å; W73-L126 HydrophobicContact CZ3-CD1 3.85Å; F118-L126 HydrophobicContact CB-CD1 4.09Å; F118-L126 WeakPolarHBondContact O-CB 3.36Å; F118-L126 PolarHBondContact O-N 3.33Å; Y119-L126 CarbonylContact C-O 3.57Å; Y119-L126 VanDerWaalsContact CA-O 3.29Å; Y119-L126 WeakPolarHBondContact CA-O 3.38Å; Y119-L126 HydrophobicContact CD1-CB 3.75Å; Y119-L126 HydrophobicContact CE1-CB 3.83Å; Y119-L126 HydrophobicContact CE1-CD1 4.12Å; Y119-L126 HydrophobicContact CE2-CD1 4.12Å; Y119-L126 HydrophobicContact CG-CB 4.25Å; G120-L126 PolarHBondContact N-O 3.37Å; L126-G128 PolarHBondContact O-N 2.87Å
127	K	97.8	Very high	98.2	Very high	187 Å²	187	65.2 Å²	65.2	81%	0.813	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.8	127.1	178.9	-68.1	-174	178.1	-176.7	0	110.7	S125 R288	S125-K127 PolarHBondContact O-N 3.04Å; K127-R288 PolarHBondContact O-NH2 3.47Å; K127-R288 VanDerWaalsContact O-NH2 3.11Å
128	G	97	Very high	98.2	Very high	11 Å²	11	64 Å²	64	11%	0.113	36%	0.359	C	S	.	.	S	Bend	trans	143.3	173.4	173.8	0	0	0	0	0	112.1	G120 L126 D290	G120-G128 WeakPolarHBondContact CA-O 3.08Å; G120-G128 PolarHBondContact N-O 3.48Å; G120-G128 VanDerWaalsContact N-O 3.16Å; L126-G128 PolarHBondContact O-N 2.87Å; G128-D290 WeakPolarHBondContact CA-OD1 3.42Å; G128-D290 WeakPolarHBondContact CA-OD2 3.47Å
129	V	98.1	Very high	98.2	Very high	70 Å²	70	64.8 Å²	64.8	42%	0.424	37%	0.365	S	S	.	.			trans	-119.7	111.9	173	-179.7	0	0	0	0	107	H131 Q289 D290	V129-H131 VanDerWaalsContact CG1-NE2 3.34Å; V129-H131 WeakPolarHBondContact CG1-NE2 3.33Å; V129-Q289 HydrophobicContact CB-CB 4.3Å; V129-Q289 HydrophobicContact CG1-CB 4.28Å; V129-Q289 PolarHBondContact O-N 2.98Å; V129-D290 PolarHBondContact N-OD1 3.28Å
130	L	98.4	Very high	98.2	Very high	14 Å²	14	67.5 Å²	67.5	7%	0.073	38%	0.379	C	S	.	.	B	Isolated β-bridge	trans	-108.9	118.7	-177.4	-170.8	75.7	0	0	0	109.7	Y119 M132 E217 V284 R288	Y119-L130 HydrophobicContact CD2-CB 3.81Å; Y119-L130 HydrophobicContact CD2-CD2 3.49Å; Y119-L130 VanDerWaalsContact CD2-CD2 3.49Å; Y119-L130 HydrophobicContact CD2-CG 4.23Å; Y119-L130 HydrophobicContact CE2-CB 4.48Å; Y119-L130 HydrophobicContact CE2-CD2 3.57Å; Y119-L130 HydrophobicContact CE2-CG 4.49Å; Y119-L130 HydrophobicContact CG-CB 3.83Å; Y119-L130 HydrophobicContact CG-CD2 4.36Å; L130-M132 HydrophobicContact CD1-SD 3.9Å; L130-M132 HydrophobicContact CD2-CG 3.81Å; L130-M132 HydrophobicContact CD2-SD 3.8Å; L130-M132 HydrophobicContact CG-CG 3.97Å; L130-M132 HydrophobicContact CG-SD 3.85Å; L130-E217 HydrophobicContact CD2-CB 3.89Å; L130-E217 HydrophobicContact CD2-CG 3.58Å; L130-V284 HydrophobicContact CD1-CG1 4.27Å; L130-V284 VanDerWaalsContact CD1-O 3.28Å; L130-V284 WeakPolarHBondContact CD1-O 3.47Å; L130-R288 VanDerWaalsContact CD1-CD 3.5Å; L130-R288 HydrophobicContact CD1-CG 3.83Å
131	H	98.4	Very high	98.2	Very high	127 Å²	127	70.8 Å²	70.8	59%	0.588	38%	0.384	S	S	*	.			trans	-115.8	84.6	176.5	-70.6	-48.8	0	0	0	109.9	V129 S287	V129-H131 VanDerWaalsContact CG1-NE2 3.34Å; V129-H131 WeakPolarHBondContact CG1-NE2 3.33Å; H131-S287 PolarHBondContact N-O 3.47Å; H131-S287 WeakPolarHBondContact O-CB 3.21Å
132	M	98.6	Very high	98.3	Very high	29 Å²	29	64.8 Å²	64.8	14%	0.143	34%	0.343	C	S	.	.			trans	-71.2	132.8	-177.5	-67	-56.5	-77.2	0	0	112.1	L130 M134 R216 E217 L283 V284 S287	L130-M132 HydrophobicContact CD1-SD 3.9Å; L130-M132 HydrophobicContact CD2-CG 3.81Å; L130-M132 HydrophobicContact CD2-SD 3.8Å; L130-M132 HydrophobicContact CG-CG 3.97Å; L130-M132 HydrophobicContact CG-SD 3.85Å; M132-M134 PolarHBondContact O-N 2.81Å; M132-R216 HydrophobicContact CE-CG 3.42Å; M132-R216 VanDerWaalsContact CE-CG 3.42Å; M132-E217 HydrophobicContact CG-CG 3.81Å; M132-L283 HydrophobicContact CE-CD2 4.03Å; M132-L283 HydrophobicContact CE-CG 3.82Å; M132-V284 HydrophobicContact CE-CG2 3.93Å; M132-S287 WeakPolarHBondContact SD-CB 3.33Å; M132-S287 PolarHBondContact SD-OG 3.35Å
133	P	98.5	Very high	98.3	Very high	69 Å²	69	59.6 Å²	59.6	45%	0.448	32%	0.32	S	S	.	.			trans	-62.4	129.4	163.3	-22.6	34.3	0	0	0	111.1	R216 L283 S287	P133-R216 WeakPolarHBondContact O-CD 3.4Å; P133-R216 PolarHBondContact O-NH1 3.32Å; P133-L283 HydrophobicContact CG-CD1 4.13Å; P133-S287 VanDerWaalsContact CD-OG 3.29Å; P133-S287 WeakPolarHBondContact CD-OG 3.34Å
134	M	98.7	Very high	98.4	Very high	49 Å²	49	56.7 Å²	56.7	24%	0.241	29%	0.294	C	S	.	.			trans	-126.7	17.7	-176.9	-73	-66	-78.3	0	0	113.5	F107 M132 E136 P137 V212 R216	F107-M134 HydrophobicContact CE1-CE 3.65Å; F107-M134 HydrophobicContact CZ-CE 3.66Å; M132-M134 PolarHBondContact O-N 2.81Å; M134-E136 PolarHBondContact O-N 3.04Å; M134-P137 HydrophobicContact CE-CB 3.44Å; M134-P137 VanDerWaalsContact CE-CB 3.44Å; M134-P137 WeakPolarHBondContact O-CD 3.35Å; M134-P137 HydrophobicContact SD-CB 4.11Å; M134-V212 HydrophobicContact CE-CG1 4.46Å; M134-R216 VanDerWaalsContact SD-CD 3.59Å
135	A	98.4	Very high	98.5	Very high	82 Å²	82	53.8 Å²	53.8	68%	0.678	28%	0.278	S	S	*	.	S	Bend	trans	-54.5	-50.8	-177.1	0	0	0	0	0	112.8	Q106	Q106-A135 PolarHBondContact NE2-O 3.04Å
136	E	98.6	Very high	98.5	Very high	109 Å²	109	52.8 Å²	52.8	51%	0.509	27%	0.272	S	S	.	.	S	Bend	trans	-115.1	97.5	166	-65.1	-61.4	131.9	0	0	106.6	Q106 M134 F138 R216	Q106-E136 PolarHBondContact NE2-OE1 3.02Å; Q106-E136 PolarHBondContact NE2-OE2 2.82Å; M134-E136 PolarHBondContact O-N 3.04Å; E136-F138 VanDerWaalsContact C-N 3.33Å; E136-F138 PolarHBondContact O-N 3.01Å; E136-R216 VanDerWaalsContact O-CZ 3.24Å; E136-R216 PolarHBondContact O-NH1 2.84Å; E136-R216 PolarHBondContact O-NH2 3.31Å
137	P	98.7	Very high	98.6	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.019	26%	0.259	C	S	.	.			trans	-78.2	-10	-161.6	25.1	-32.9	0	0	0	115.8	N105 F107 M134 V212 R216	N105-P137 WeakPolarHBondContact O-CD 3.41Å; F107-P137 HydrophobicContact CD1-CB 4.01Å; F107-P137 HydrophobicContact CD1-CG 3.62Å; F107-P137 HydrophobicContact CE1-CB 3.45Å; F107-P137 VanDerWaalsContact CE1-CB 3.45Å; F107-P137 HydrophobicContact CE1-CG 3.58Å; F107-P137 HydrophobicContact CZ-CB 4.42Å; M134-P137 HydrophobicContact CE-CB 3.44Å; M134-P137 VanDerWaalsContact CE-CB 3.44Å; M134-P137 WeakPolarHBondContact O-CD 3.35Å; M134-P137 HydrophobicContact SD-CB 4.11Å; P137-V212 HydrophobicContact CB-CG2 4.26Å; P137-V212 WeakPolarHBondContact O-CG2 3.41Å; P137-R216 VanDerWaalsContact O-CZ 3.32Å; P137-R216 PolarHBondContact O-NH2 3Å
138	F	98.9	Very high	98.6	Very high	10 Å²	10	45 Å²	45	4%	0.044	24%	0.237	C	C	.	.	S	Bend	trans	-103.2	166.9	-178.6	-60.7	-92.7	0	0	0	111.9	L104 N105 E136 E140 R143 L208 V212 R216 Y222	L104-F138 HydrophobicContact CB-CE1 4.14Å; L104-F138 HydrophobicContact CB-CE2 4.06Å; L104-F138 HydrophobicContact CB-CZ 3.61Å; N105-F138 VanDerWaalsContact C-CD2 3.46Å; N105-F138 VanDerWaalsContact C-CE2 3.45Å; N105-F138 WeakPolarHBondContact O-CD2 3.37Å; E136-F138 VanDerWaalsContact C-N 3.33Å; E136-F138 PolarHBondContact O-N 3.01Å; F138-E140 PolarHBondContact O-N 3.48Å; F138-R143 HydrophobicContact CB-CG 3.99Å; F138-L208 HydrophobicContact CE1-CD1 3.83Å; F138-L208 HydrophobicContact CZ-CD1 3.84Å; F138-L208 HydrophobicContact CZ-CD2 4.09Å; F138-V212 HydrophobicContact CD1-CG2 4.01Å; F138-V212 HydrophobicContact CE1-CG2 3.94Å; F138-V212 HydrophobicContact CG-CG2 4.44Å; F138-V212 HydrophobicContact CZ-CG2 4.28Å; F138-R216 PolarHBondContact O-NH2 3.47Å; F138-Y222 AromaticContact CD1-CD1 3.78Å; F138-Y222 HydrophobicContact CD1-CD1 3.78Å; F138-Y222 AromaticContact CD1-CE1 3.99Å; F138-Y222 HydrophobicContact CD1-CE1 3.99Å; F138-Y222 HydrophobicContact CE1-CD1 4.07Å; F138-Y222 AromaticContact CE1-CE1 3.78Å; F138-Y222 HydrophobicContact CE1-CE1 3.78Å
139	C	98.8	Very high	98.7	Very high	17 Å²	17	44.5 Å²	44.5	12%	0.115	23%	0.231	C	C	.	.			trans	-81.9	108.4	169.1	-178	0	0	0	0	110	R141 T142 R143 S221 Y222	C139-R141 VanDerWaalsContact C-N 3.34Å; C139-R141 PolarHBondContact O-N 3.37Å; C139-T142 PolarHBondContact O-N 3.19Å; C139-T142 PolarHBondContact SG-OG1 3.4Å; C139-T142 VanDerWaalsContact SG-OG1 3.36Å; C139-R143 PolarHBondContact O-N 2.78Å; C139-S221 PolarHBondContact SG-OG 3.2Å; C139-Y222 PolarHBondContact N-O 3.27Å
140	E	98.8	Very high	98.7	Very high	92 Å²	92	41.1 Å²	41.1	43%	0.43	21%	0.211	S	C	.	.	H	α-helix	trans	-59.4	-41.2	-174.3	-178.7	54.4	-157.6	0	0	113.3	F138 T142 R143 Q144	F138-E140 PolarHBondContact O-N 3.48Å; E140-T142 VanDerWaalsContact C-N 3.31Å; E140-T142 PolarHBondContact O-N 2.83Å; E140-R143 WeakPolarHBondContact O-CB 3Å; E140-R143 PolarHBondContact O-N 3.23Å; E140-R143 IonicContact OE1-NH1 3.64Å; E140-R143 PolarHBondContact OE1-NH1 3.44Å; E140-R143 WeakPolarHBondContact OE2-CD 3.4Å; E140-R143 IonicContact OE2-CZ 2.75Å; E140-R143 IonicContact OE2-NE 2.68Å; E140-R143 IonicContact OE2-NH1 3.28Å; E140-R143 PolarHBondContact OE2-NH1 3.38Å; E140-Q144 WeakPolarHBondContact O-CG 3.38Å; E140-Q144 PolarHBondContact O-N 3.44Å; E140-Q144 WeakPolarHBondContact OE1-CG 3.35Å; E140-Q144 PolarHBondContact OE1-NE2 3.03Å
141	R	98.7	Very high	98.7	Very high	90 Å²	90	45.7 Å²	45.7	34%	0.34	23%	0.227	S	C	.	.	H	α-helix	trans	-56.8	-46.7	174.3	-74.9	-174.8	68.7	-173.1	2	111.3	C139 R143 Q144 I145 E271 D272 W273 T276	C139-R141 VanDerWaalsContact C-N 3.34Å; C139-R141 PolarHBondContact O-N 3.37Å; R141-R143 VanDerWaalsContact C-N 3.35Å; R141-R143 PolarHBondContact O-N 3.12Å; R141-Q144 PolarHBondContact O-N 2.74Å; R141-I145 WeakPolarHBondContact O-CG1 3.41Å; R141-I145 PolarHBondContact O-N 3.27Å; R141-E271 IonicContact CZ-OE2 3.42Å; R141-E271 IonicContact NE-OE2 3.56Å; R141-E271 IonicContact NH2-OE2 2.69Å; R141-E271 PolarHBondContact NH2-OE2 2.96Å; R141-D272 PolarHBondContact NH1-O 3.35Å; R141-D272 PolarHBondContact NH2-O 3.37Å; R141-W273 HydrophobicContact CB-CH2 3.63Å; R141-W273 HydrophobicContact CB-CZ3 3.66Å; R141-T276 WeakPolarHBondContact CD-OG1 3.22Å; R141-T276 PolarHBondContact NH1-OG1 3.48Å
142	T	98.9	Very high	98.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-68.5	-33.3	-179.5	-49.4	0	0	0	0	112.3	H82 L84 C139 E140 I145 L146 A223 I268	H82-T142 PolarHBondContact CD2-OG1 2.87Å; L84-T142 HydrophobicContact CD2-CG2 3.51Å; C139-T142 PolarHBondContact O-N 3.19Å; C139-T142 PolarHBondContact SG-OG1 3.4Å; C139-T142 VanDerWaalsContact SG-OG1 3.36Å; E140-T142 VanDerWaalsContact C-N 3.31Å; E140-T142 PolarHBondContact O-N 2.83Å; T142-I145 WeakPolarHBondContact O-CB 3.27Å; T142-I145 PolarHBondContact O-N 3.44Å; T142-L146 PolarHBondContact O-N 3.36Å; T142-A223 HydrophobicContact CG2-CB 3.68Å; T142-I268 HydrophobicContact CG2-CD1 4.33Å
143	R	98.9	Very high	98.7	Very high	10 Å²	10	45.4 Å²	45.4	4%	0.038	23%	0.227	C	C	.	.	H	α-helix	trans	-60.1	-48.9	170.7	-68.4	-177	64.8	-99.7	-10.4	111.5	V103 L104 F138 C139 E140 R141 I145 L146 I147 A175 A223	V103-R143 HydrophobicContact CG1-CB 3.87Å; V103-R143 HydrophobicContact CG1-CG 4.13Å; V103-R143 PolarHBondContact O-NH2 2.82Å; L104-R143 WeakPolarHBondContact O-CD 3.49Å; L104-R143 PolarHBondContact O-NE 3.14Å; F138-R143 HydrophobicContact CB-CG 3.99Å; C139-R143 PolarHBondContact O-N 2.78Å; E140-R143 WeakPolarHBondContact O-CB 3Å; E140-R143 PolarHBondContact O-N 3.23Å; E140-R143 IonicContact OE1-NH1 3.64Å; E140-R143 PolarHBondContact OE1-NH1 3.44Å; E140-R143 WeakPolarHBondContact OE2-CD 3.4Å; E140-R143 IonicContact OE2-CZ 2.75Å; E140-R143 IonicContact OE2-NE 2.68Å; E140-R143 IonicContact OE2-NH1 3.28Å; E140-R143 PolarHBondContact OE2-NH1 3.38Å; R141-R143 VanDerWaalsContact C-N 3.35Å; R141-R143 PolarHBondContact O-N 3.12Å; R143-I145 PolarHBondContact O-N 3.01Å; R143-L146 WeakPolarHBondContact O-CB 3.44Å; R143-L146 PolarHBondContact O-N 2.9Å; R143-I147 WeakPolarHBondContact O-CG1 3.41Å; R143-I147 PolarHBondContact O-N 3.2Å; R143-I147 VanDerWaalsContact O-N 3.09Å; R143-A175 PolarHBondContact NH2-O 2.99Å; R143-A223 HydrophobicContact CG-CB 4.21Å
144	Q	98.9	Very high	98.7	Very high	80 Å²	80	47.5 Å²	47.5	37%	0.374	24%	0.243	S	C	.	.	H	α-helix	trans	-62.1	-32.6	178.7	-65.9	-56.3	-34.1	0	0	112.3	E140 R141 I147 Q148	E140-Q144 WeakPolarHBondContact O-CG 3.38Å; E140-Q144 PolarHBondContact O-N 3.44Å; E140-Q144 WeakPolarHBondContact OE1-CG 3.35Å; E140-Q144 PolarHBondContact OE1-NE2 3.03Å; R141-Q144 PolarHBondContact O-N 2.74Å; Q144-I147 PolarHBondContact O-N 2.96Å; Q144-Q148 VanDerWaalsContact O-CB 3.32Å; Q144-Q148 WeakPolarHBondContact O-CB 2.99Å; Q144-Q148 PolarHBondContact O-N 3.03Å
145	I	98.9	Very high	98.7	Very high	10 Å²	10	46 Å²	46	5%	0.051	24%	0.236	C	C	.	.	H	α-helix	trans	-62	-45	171.6	-64.6	-73.3	0	0	0	111.8	R141 T142 R143 I147 Q148 A149 A264 L267 I268 W273	R141-I145 WeakPolarHBondContact O-CG1 3.41Å; R141-I145 PolarHBondContact O-N 3.27Å; T142-I145 WeakPolarHBondContact O-CB 3.27Å; T142-I145 PolarHBondContact O-N 3.44Å; R143-I145 PolarHBondContact O-N 3.01Å; I145-I147 VanDerWaalsContact C-N 3.32Å; I145-I147 PolarHBondContact O-N 3.26Å; I145-Q148 PolarHBondContact O-N 2.8Å; I145-A149 VanDerWaalsContact O-CB 3.29Å; I145-A149 WeakPolarHBondContact O-CB 3.44Å; I145-A149 PolarHBondContact O-N 2.75Å; I145-A264 HydrophobicContact CG2-CB 3.89Å; I145-A264 WeakPolarHBondContact CG2-O 3.22Å; I145-L267 HydrophobicContact CD1-CB 3.94Å; I145-L267 HydrophobicContact CG2-CB 3.75Å; I145-L267 HydrophobicContact CG2-CD1 4.2Å; I145-I268 HydrophobicContact CG1-CG1 4.46Å; I145-I268 HydrophobicContact CG2-CG1 4.06Å; I145-W273 HydrophobicContact CG1-CZ2 4.29Å
146	L	98.9	Very high	98.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-42.1	177.1	-75.4	172.2	0	0	0	111.8	L84 V103 T142 R143 A149 A150 A223 I225 I260 L261 A264	L84-L146 HydrophobicContact CD1-CD2 4.41Å; L84-L146 HydrophobicContact CD2-CD1 4.37Å; L84-L146 HydrophobicContact CD2-CD2 4.24Å; L84-L146 HydrophobicContact CD2-CG 4.28Å; V103-L146 HydrophobicContact CG1-CB 4.27Å; V103-L146 HydrophobicContact CG1-CD1 4.3Å; V103-L146 HydrophobicContact CG2-CB 3.94Å; T142-L146 PolarHBondContact O-N 3.36Å; R143-L146 WeakPolarHBondContact O-CB 3.44Å; R143-L146 PolarHBondContact O-N 2.9Å; L146-A149 PolarHBondContact O-N 3.22Å; L146-A150 PolarHBondContact O-N 3.4Å; L146-A150 VanDerWaalsContact O-N 3.1Å; L146-A223 HydrophobicContact CD1-CB 3.64Å; L146-I225 HydrophobicContact CD1-CB 4.39Å; L146-I260 HydrophobicContact CD2-CG2 3.98Å; L146-L261 HydrophobicContact CD2-CD2 4.32Å; L146-A264 HydrophobicContact CD2-CB 3.87Å
147	I	98.9	Very high	98.7	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-64.3	-44	177.2	-60.6	167.5	0	0	0	110	V103 R143 Q144 I145 A150 R151 V157 A175	V103-I147 HydrophobicContact CB-CD1 4.4Å; V103-I147 HydrophobicContact CB-CG1 3.95Å; V103-I147 HydrophobicContact CG1-CD1 4.36Å; V103-I147 HydrophobicContact CG1-CG1 4.1Å; V103-I147 HydrophobicContact CG2-CG1 3.84Å; R143-I147 WeakPolarHBondContact O-CG1 3.41Å; R143-I147 PolarHBondContact O-N 3.2Å; R143-I147 VanDerWaalsContact O-N 3.09Å; Q144-I147 PolarHBondContact O-N 2.96Å; I145-I147 VanDerWaalsContact C-N 3.32Å; I145-I147 PolarHBondContact O-N 3.26Å; I147-A150 WeakPolarHBondContact O-CB 3.4Å; I147-A150 PolarHBondContact O-N 3.35Å; I147-R151 PolarHBondContact O-N 2.72Å; I147-V157 HydrophobicContact CG2-CG1 3.7Å; I147-V157 HydrophobicContact CG2-CG2 4.32Å; I147-A175 HydrophobicContact CD1-CB 4.14Å; I147-A175 WeakPolarHBondContact CD1-O 3.48Å
148	Q	98.8	Very high	98.7	Very high	72 Å²	72	42 Å²	42	34%	0.336	21%	0.206	S	C	.	.	H	α-helix	trans	-66.4	-38	177.8	-171.7	56.5	41.7	0	0	112.4	Q144 I145 A150 R151 N152 L267	Q144-Q148 VanDerWaalsContact O-CB 3.32Å; Q144-Q148 WeakPolarHBondContact O-CB 2.99Å; Q144-Q148 PolarHBondContact O-N 3.03Å; I145-Q148 PolarHBondContact O-N 2.8Å; Q148-A150 VanDerWaalsContact C-N 3.3Å; Q148-A150 PolarHBondContact O-N 3.3Å; Q148-R151 WeakPolarHBondContact O-CB 3.36Å; Q148-R151 PolarHBondContact O-N 2.82Å; Q148-R151 VanDerWaalsContact O-N 3.14Å; Q148-N152 PolarHBondContact NE2-OD1 3.08Å; Q148-N152 PolarHBondContact O-N 3.21Å; Q148-N152 PolarHBondContact O-OD1 2.94Å; Q148-L267 HydrophobicContact CB-CD1 4.24Å; Q148-L267 HydrophobicContact CG-CD1 4.15Å
149	A	98.8	Very high	98.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60	-40.7	174.6	0	0	0	0	0	111.6	I145 L146 R151 N152 K153 I260 E263 A264 L267	I145-A149 VanDerWaalsContact O-CB 3.29Å; I145-A149 WeakPolarHBondContact O-CB 3.44Å; I145-A149 PolarHBondContact O-N 2.75Å; L146-A149 PolarHBondContact O-N 3.22Å; A149-R151 PolarHBondContact O-N 3.33Å; A149-N152 PolarHBondContact O-N 2.84Å; A149-K153 WeakPolarHBondContact O-CB 3.44Å; A149-K153 WeakPolarHBondContact O-CG 3.49Å; A149-K153 PolarHBondContact O-N 2.82Å; A149-I260 HydrophobicContact CB-CG2 4.09Å; A149-I260 WeakPolarHBondContact CB-O 3.46Å; A149-E263 HydrophobicContact CB-CB 3.9Å; A149-E263 HydrophobicContact CB-CG 3.73Å; A149-A264 HydrophobicContact CB-CB 3.93Å; A149-L267 HydrophobicContact CB-CD1 4.14Å
150	A	98.8	Very high	98.7	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-60.3	-44.7	172.8	0	0	0	0	0	112.4	L146 I147 Q148 N152 K153 S154 I155 V157 V173 I260	L146-A150 PolarHBondContact O-N 3.4Å; L146-A150 VanDerWaalsContact O-N 3.1Å; I147-A150 WeakPolarHBondContact O-CB 3.4Å; I147-A150 PolarHBondContact O-N 3.35Å; Q148-A150 VanDerWaalsContact C-N 3.3Å; Q148-A150 PolarHBondContact O-N 3.3Å; A150-N152 PolarHBondContact O-N 2.82Å; A150-K153 CarbonylContact O-C 3.44Å; A150-K153 PolarHBondContact O-N 2.94Å; A150-S154 PolarHBondContact O-N 2.64Å; A150-I155 HydrophobicContact CB-CB 4.34Å; A150-I155 PolarHBondContact O-N 3.46Å; A150-V157 HydrophobicContact CB-CG2 4.04Å; A150-V173 HydrophobicContact CB-CB 4.21Å; A150-V173 HydrophobicContact CB-CG2 3.58Å; A150-I260 HydrophobicContact CB-CD1 4.1Å; A150-I260 HydrophobicContact CB-CG1 4.19Å
151	R	98.6	Very high	98.6	Very high	109 Å²	109	49.8 Å²	49.8	41%	0.411	24%	0.239	S	C	.	.	H	α-helix	trans	-59.9	-45.9	175.1	-61.9	-175.7	-172.3	112.2	1.9	111.9	I147 Q148 A149 K153 S154 V157	I147-R151 PolarHBondContact O-N 2.72Å; Q148-R151 WeakPolarHBondContact O-CB 3.36Å; Q148-R151 PolarHBondContact O-N 2.82Å; Q148-R151 VanDerWaalsContact O-N 3.14Å; A149-R151 PolarHBondContact O-N 3.33Å; R151-K153 PolarHBondContact O-N 2.99Å; R151-S154 PolarHBondContact O-N 3.48Å; R151-V157 HydrophobicContact CG-CB 4.46Å; R151-V157 HydrophobicContact CG-CG2 3.68Å
152	N	98.7	Very high	98.6	Very high	73 Å²	73	50.4 Å²	50.4	39%	0.39	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-26.1	179.2	-72.1	6.8	0	0	0	112.7	Q148 A149 A150 S154 E263	Q148-N152 PolarHBondContact NE2-OD1 3.08Å; Q148-N152 PolarHBondContact O-N 3.21Å; Q148-N152 PolarHBondContact O-OD1 2.94Å; A149-N152 PolarHBondContact O-N 2.84Å; A150-N152 PolarHBondContact O-N 2.82Å; N152-S154 VanDerWaalsContact C-N 3.34Å; N152-E263 HydrophobicContact CB-CG 3.96Å; N152-E263 PolarHBondContact ND2-OE1 3.36Å
153	K	98.4	Very high	98.5	Very high	78 Å²	78	54 Å²	54	34%	0.339	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	11	175.6	-65.1	-56.1	-55	175.6	0	113.6	A149 A150 R151 I155 E259 E263	A149-K153 WeakPolarHBondContact O-CB 3.44Å; A149-K153 WeakPolarHBondContact O-CG 3.49Å; A149-K153 PolarHBondContact O-N 2.82Å; A150-K153 CarbonylContact O-C 3.44Å; A150-K153 PolarHBondContact O-N 2.94Å; R151-K153 PolarHBondContact O-N 2.99Å; K153-I155 HydrophobicContact CB-CD1 4.12Å; K153-I155 HydrophobicContact CB-CG1 4.31Å; K153-I155 PolarHBondContact O-N 3.18Å; K153-E259 HydrophobicContact CD-CB 4.39Å; K153-E259 HydrophobicContact CG-CB 4.19Å; K153-E259 IonicContact NZ-OE1 2.71Å; K153-E263 HydrophobicContact CD-CB 4.33Å; K153-E263 HydrophobicContact CG-CB 4.14Å; K153-E263 HydrophobicContact CG-CG 4.38Å
154	S	98.2	Very high	98.4	Very high	113 Å²	113	58.4 Å²	58.4	79%	0.79	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	32.4	-179.6	-53.8	0	0	0	0	113.5	A150 R151 N152	A150-S154 PolarHBondContact O-N 2.64Å; R151-S154 PolarHBondContact O-N 3.48Å; N152-S154 VanDerWaalsContact C-N 3.34Å
155	I	98.3	Very high	98.3	Very high	18 Å²	18	60.4 Å²	60.4	9%	0.092	30%	0.302	C	S	.	.			trans	-94.2	132.8	172.4	-59.5	167.4	0	0	0	107.5	A150 K153 V157 V173 H256 I260	A150-I155 HydrophobicContact CB-CB 4.34Å; A150-I155 PolarHBondContact O-N 3.46Å; K153-I155 HydrophobicContact CB-CD1 4.12Å; K153-I155 HydrophobicContact CB-CG1 4.31Å; K153-I155 PolarHBondContact O-N 3.18Å; I155-V157 PolarHBondContact O-N 3.33Å; I155-V173 HydrophobicContact CG2-CG2 3.88Å; I155-H256 HydrophobicContact CD1-CB 3.94Å; I155-I260 HydrophobicContact CD1-CD1 3.72Å; I155-I260 HydrophobicContact CD1-CG1 3.69Å
156	N	98.5	Very high	98.2	Very high	72 Å²	72	64.8 Å²	64.8	39%	0.385	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	138.8	-179.4	-65.6	-29.8	0	0	0	110.5	I169 C172 V173	N156-I169 WeakPolarHBondContact CB-O 3.22Å; N156-I169 WeakPolarHBondContact ND2-CG2 3.43Å; N156-I169 PolarHBondContact ND2-O 3.43Å; N156-C172 HydrophobicContact CB-CB 3.87Å; N156-C172 CarbonylContact O-C 3.57Å; N156-C172 VanDerWaalsContact O-CA 3.28Å; N156-C172 WeakPolarHBondContact O-CA 3.46Å; N156-V173 PolarHBondContact O-N 2.89Å
157	V	98.8	Very high	98.1	Very high	23 Å²	23	66.7 Å²	66.7	14%	0.139	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.2	174.1	175.9	0	0	0	0	108.1	I147 A150 R151 I155 V173 A175	I147-V157 HydrophobicContact CG2-CG1 3.7Å; I147-V157 HydrophobicContact CG2-CG2 4.32Å; A150-V157 HydrophobicContact CB-CG2 4.04Å; R151-V157 HydrophobicContact CG-CB 4.46Å; R151-V157 HydrophobicContact CG-CG2 3.68Å; I155-V157 PolarHBondContact O-N 3.33Å; V157-V173 CarbonylContact C-O 3.52Å; V157-V173 VanDerWaalsContact CA-O 3.32Å; V157-V173 WeakPolarHBondContact CA-O 3.43Å; V157-V173 HydrophobicContact CG2-CB 4.36Å; V157-A175 HydrophobicContact CG1-CB 4.23Å
158	Y	98.8	Very high	98.1	Very high	14 Å²	14	67.5 Å²	67.5	6%	0.055	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.6	176.1	-180	-117.9	0	0	0	110.2	K160 M163 D164 C168 V173 H174 A175	Y158-K160 HydrophobicContact CE1-CB 3.87Å; Y158-M163 HydrophobicContact CD2-CB 4.21Å; Y158-M163 HydrophobicContact CD2-SD 4.32Å; Y158-M163 HydrophobicContact CE2-CB 3.95Å; Y158-D164 WeakPolarHBondContact CE2-O 3.01Å; Y158-C168 HydrophobicContact CD1-CB 4.2Å; Y158-C168 VanDerWaalsContact CD1-SG 3.6Å; Y158-C168 HydrophobicContact CD2-CB 3.79Å; Y158-C168 HydrophobicContact CE1-CB 4.21Å; Y158-C168 HydrophobicContact CE2-CB 3.84Å; Y158-C168 HydrophobicContact CG-CB 4Å; Y158-V173 PolarHBondContact N-O 3.04Å; Y158-H174 AromaticContact CD1-CE1 3.77Å; Y158-H174 AromaticContact CD1-ND1 3.6Å; Y158-H174 WeakPolarHBondContact O-CA 3.5Å; Y158-A175 PolarHBondContact O-N 3.47Å
159	D	98.6	Very high	98.1	Very high	35 Å²	35	68.9 Å²	68.9	19%	0.187	36%	0.363	C	S	.	.			trans	-117.2	99.3	174.7	177	10.3	0	0	0	110	K161 T162 M163 A175	D159-K161 PolarHBondContact O-N 3.07Å; D159-K161 WeakPolarHBondContact OD1-CB 3.31Å; D159-K161 PolarHBondContact OD1-N 3.34Å; D159-T162 VanDerWaalsContact CG-OG1 3.26Å; D159-T162 PolarHBondContact O-N 3.03Å; D159-T162 WeakPolarHBondContact OD2-CG2 3.49Å; D159-T162 PolarHBondContact OD2-OG1 3.04Å; D159-M163 VanDerWaalsContact O-CB 3.32Å; D159-M163 WeakPolarHBondContact O-CB 3.43Å; D159-M163 PolarHBondContact O-N 3.28Å; D159-A175 HydrophobicContact CB-CB 3.93Å
160	K	97.8	Very high	98	Very high	98 Å²	98	72.5 Å²	72.5	43%	0.426	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-15.2	-178.7	67.8	-177.6	177.1	-172.1	0	114.4	Y158 E176 D202	Y158-K160 HydrophobicContact CE1-CB 3.87Å; K160-E176 WeakPolarHBondContact CE-OE1 3.4Å; K160-E176 HydrophobicContact CG-CG 4.4Å; K160-D202 IonicContact NZ-OD1 2.76Å; K160-D202 PolarHBondContact NZ-OD1 3.48Å; K160-D202 IonicContact NZ-OD2 2.9Å
161	K	97.7	Very high	98	Very high	150 Å²	150	75.6 Å²	75.6	65%	0.652	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-26.3	175.3	-72.4	176.3	167.6	158.9	0	113.1	D159 E176	D159-K161 PolarHBondContact O-N 3.07Å; D159-K161 WeakPolarHBondContact OD1-CB 3.31Å; D159-K161 PolarHBondContact OD1-N 3.34Å; K161-E176 WeakPolarHBondContact CD-OE2 3.48Å; K161-E176 WeakPolarHBondContact CE-OE1 3.27Å; K161-E176 WeakPolarHBondContact CE-OE2 3.15Å; K161-E176 IonicContact NZ-OE1 3.76Å; K161-E176 IonicContact NZ-OE2 2.97Å; K161-E176 PolarHBondContact NZ-OE2 2.9Å
162	T	98	Very high	98	Very high	103 Å²	103	70.4 Å²	70.4	63%	0.632	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.7	-9.9	-171.6	61.1	0	0	0	0	113.6	D159	D159-T162 VanDerWaalsContact CG-OG1 3.26Å; D159-T162 PolarHBondContact O-N 3.03Å; D159-T162 WeakPolarHBondContact OD2-CG2 3.49Å; D159-T162 PolarHBondContact OD2-OG1 3.04Å
163	M	98	Very high	98	Very high	75 Å²	75	67 Å²	67	37%	0.369	36%	0.362	S	S	.	.	S	Bend	trans	-125	139.7	-178.3	-55.7	179.6	178	0	0	110.6	Y158 D159 A167	Y158-M163 HydrophobicContact CD2-CB 4.21Å; Y158-M163 HydrophobicContact CD2-SD 4.32Å; Y158-M163 HydrophobicContact CE2-CB 3.95Å; D159-M163 VanDerWaalsContact O-CB 3.32Å; D159-M163 WeakPolarHBondContact O-CB 3.43Å; D159-M163 PolarHBondContact O-N 3.28Å; M163-A167 HydrophobicContact CB-CB 3.98Å; M163-A167 HydrophobicContact SD-CB 4.39Å
164	D	96.8	Very high	98	Very high	102 Å²	102	63.6 Å²	63.6	55%	0.545	35%	0.347	S	S	.	.			trans	-77	165.9	171.1	73	93.3	0	0	0	111.3	Y158 S166 A167	Y158-D164 WeakPolarHBondContact CE2-O 3.01Å; D164-S166 PolarHBondContact O-N 3.35Å; D164-S166 VanDerWaalsContact O-N 3.11Å; D164-S166 WeakPolarHBondContact OD1-CA 3.38Å; D164-S166 WeakPolarHBondContact OD1-CB 3.49Å; D164-S166 PolarHBondContact OD1-N 2.79Å; D164-S166 PolarHBondContact OD1-OG 3.01Å; D164-A167 WeakPolarHBondContact O-CB 3.2Å; D164-A167 PolarHBondContact O-N 2.72Å
165	K	96.4	Very high	98	Very high	123 Å²	123	58.8 Å²	58.8	54%	0.535	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-58.2	-26.2	-176.8	-72.5	-165.2	172.1	-146.4	0	114.2	D95 A167 C168	D95-K165 IonicContact OD1-NZ 3.97Å; D95-K165 PolarHBondContact OD1-NZ 2.92Å; D95-K165 WeakPolarHBondContact OD2-CE 3.42Å; D95-K165 IonicContact OD2-NZ 2.72Å; D95-K165 PolarHBondContact OD2-NZ 3.4Å; K165-A167 PolarHBondContact O-N 3.06Å; K165-C168 VanDerWaalsContact O-CB 3.25Å; K165-C168 WeakPolarHBondContact O-CB 3.36Å; K165-C168 PolarHBondContact O-N 3.28Å
166	S	96.5	Very high	98.1	Very high	101 Å²	101	59.5 Å²	59.5	71%	0.706	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-67.6	-18.6	179	75.9	0	0	0	0	113.2	D164 C168	D164-S166 PolarHBondContact O-N 3.35Å; D164-S166 VanDerWaalsContact O-N 3.11Å; D164-S166 WeakPolarHBondContact OD1-CA 3.38Å; D164-S166 WeakPolarHBondContact OD1-CB 3.49Å; D164-S166 PolarHBondContact OD1-N 2.79Å; D164-S166 PolarHBondContact OD1-OG 3.01Å; S166-C168 VanDerWaalsContact C-N 3.34Å
167	A	97.5	Very high	98.1	Very high	40 Å²	40	56.2 Å²	56.2	33%	0.331	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-84.7	-4.4	173.3	0	0	0	0	0	113.6	M163 D164 K165 I169	M163-A167 HydrophobicContact CB-CB 3.98Å; M163-A167 HydrophobicContact SD-CB 4.39Å; D164-A167 WeakPolarHBondContact O-CB 3.2Å; D164-A167 PolarHBondContact O-N 2.72Å; K165-A167 PolarHBondContact O-N 3.06Å; A167-I169 VanDerWaalsContact C-N 3.34Å; A167-I169 PolarHBondContact O-N 2.74Å
168	C	97.9	Very high	98.1	Very high	18 Å²	18	56 Å²	56	12%	0.122	30%	0.3	C	S	.	.			trans	-77.1	83.1	177	-161.6	0	0	0	0	110.2	Y158 K165 S166 H170	Y158-C168 HydrophobicContact CD1-CB 4.2Å; Y158-C168 VanDerWaalsContact CD1-SG 3.6Å; Y158-C168 HydrophobicContact CD2-CB 3.79Å; Y158-C168 HydrophobicContact CE1-CB 4.21Å; Y158-C168 HydrophobicContact CE2-CB 3.84Å; Y158-C168 HydrophobicContact CG-CB 4Å; K165-C168 VanDerWaalsContact O-CB 3.25Å; K165-C168 WeakPolarHBondContact O-CB 3.36Å; K165-C168 PolarHBondContact O-N 3.28Å; S166-C168 VanDerWaalsContact C-N 3.34Å; C168-H170 VanDerWaalsContact SG-CE1 3.57Å
169	I	98.3	Very high	98.1	Very high	102 Å²	102	55.4 Å²	55.4	52%	0.523	30%	0.298	S	S	.	.			trans	-100.3	109.3	-177.8	-56	174.1	0	0	0	110	N156 A167 C172	N156-I169 WeakPolarHBondContact CB-O 3.22Å; N156-I169 WeakPolarHBondContact ND2-CG2 3.43Å; N156-I169 PolarHBondContact ND2-O 3.43Å; A167-I169 VanDerWaalsContact C-N 3.34Å; A167-I169 PolarHBondContact O-N 2.74Å; I169-C172 WeakPolarHBondContact O-CB 3.37Å
170	H	98.1	Very high	98.1	Very high	76 Å²	76	53.7 Å²	53.7	35%	0.352	29%	0.289	S	S	.	.	S	Bend	trans	-78.4	152.1	-177.6	-54.4	-69.3	0	0	0	114	D95 V97 D100 C168	D95-H170 PolarHBondContact O-CE1 3.22Å; D95-H170 VanDerWaalsContact O-CE1 3.32Å; V97-H170 HydrophobicContact CG2-CB 3.92Å; V97-H170 VanDerWaalsContact CG2-CG 3.48Å; V97-H170 VanDerWaalsContact CG2-ND1 3.33Å; V97-H170 WeakPolarHBondContact CG2-ND1 3.37Å; D100-H170 VanDerWaalsContact CG-ND1 3.29Å; D100-H170 IonicContact OD1-CG 3.64Å; D100-H170 IonicContact OD1-ND1 3.33Å; D100-H170 PolarHBondContact OD1-ND1 2.82Å; D100-H170 IonicContact OD2-CE1 2.64Å; D100-H170 PolarHBondContact OD2-CE1 3.29Å; D100-H170 IonicContact OD2-ND1 3.93Å; D100-H170 PolarHBondContact OD2-ND1 2.96Å; C168-H170 VanDerWaalsContact SG-CE1 3.57Å
171	P	97.8	Very high	98.2	Very high	64 Å²	64	49 Å²	49	42%	0.416	27%	0.269	S	S	.	.	S	Bend	cis	-69.5	141.1	-11.4	30.6	-34.5	0	0	0	110.8	D100	D100-P171 WeakPolarHBondContact OD1-CA 3.41Å
172	C	98.5	Very high	98.2	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.007	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	159.5	179.6	68.9	0	0	0	0	113	D100 F101 N156 I169 H174	D100-C172 WeakPolarHBondContact CA-O 3.34Å; D100-C172 WeakPolarHBondContact CB-O 3.26Å; D100-C172 PolarHBondContact OD1-N 3.14Å; F101-C172 PolarHBondContact N-O 3.25Å; N156-C172 HydrophobicContact CB-CB 3.87Å; N156-C172 CarbonylContact O-C 3.57Å; N156-C172 VanDerWaalsContact O-CA 3.28Å; N156-C172 WeakPolarHBondContact O-CA 3.46Å; I169-C172 WeakPolarHBondContact O-CB 3.37Å; C172-H174 PolarHBondContact SG-NE2 3.06Å; C172-H174 VanDerWaalsContact SG-NE2 3.43Å
173	V	98.9	Very high	98.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	112.9	166.5	-177.9	0	0	0	0	108.3	F101 V103 A150 I155 N156 V157 Y158 A175 I260	F101-V173 HydrophobicContact CB-CB 4.48Å; F101-V173 HydrophobicContact CB-CG1 4.47Å; F101-V173 HydrophobicContact CB-CG2 4.04Å; F101-V173 HydrophobicContact CD2-CG2 3.78Å; F101-V173 HydrophobicContact CG-CG2 4.3Å; F101-V173 CarbonylContact O-C 3.5Å; F101-V173 WeakPolarHBondContact O-CA 3.28Å; V103-V173 HydrophobicContact CG2-CG1 3.71Å; A150-V173 HydrophobicContact CB-CB 4.21Å; A150-V173 HydrophobicContact CB-CG2 3.58Å; I155-V173 HydrophobicContact CG2-CG2 3.88Å; N156-V173 PolarHBondContact O-N 2.89Å; V157-V173 CarbonylContact C-O 3.52Å; V157-V173 VanDerWaalsContact CA-O 3.32Å; V157-V173 WeakPolarHBondContact CA-O 3.43Å; V157-V173 HydrophobicContact CG2-CB 4.36Å; Y158-V173 PolarHBondContact N-O 3.04Å; V173-A175 PolarHBondContact O-N 3.2Å; V173-I260 HydrophobicContact CG2-CD1 4.02Å
174	H	98.8	Very high	98.2	Very high	7 Å²	7	35.9 Å²	35.9	3%	0.032	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	122	169	-67.3	-99.7	0	0	0	109.1	D95 D100 F101 V102 V103 Y158 C172 E176	D95-H174 PolarHBondContact O-CE1 3.27Å; D95-H174 PolarHBondContact O-NE2 3.22Å; D100-H174 IonicContact OD2-CD2 2.71Å; D100-H174 IonicContact OD2-NE2 3.7Å; D100-H174 PolarHBondContact OD2-NE2 3.03Å; F101-H174 PolarHBondContact O-CD2 3.19Å; F101-H174 PolarHBondContact O-N 3.28Å; V102-H174 HydrophobicContact CB-CB 4.41Å; V102-H174 HydrophobicContact CG1-CB 4.17Å; V102-H174 HydrophobicContact CG2-CB 4.19Å; V103-H174 PolarHBondContact N-O 3.23Å; Y158-H174 AromaticContact CD1-CE1 3.77Å; Y158-H174 AromaticContact CD1-ND1 3.6Å; Y158-H174 WeakPolarHBondContact O-CA 3.5Å; C172-H174 PolarHBondContact SG-NE2 3.06Å; C172-H174 VanDerWaalsContact SG-NE2 3.43Å; H174-E176 PolarHBondContact O-N 2.79Å
175	A	98.8	Very high	98.2	Very high	12 Å²	12	35.8 Å²	35.8	10%	0.099	21%	0.212	C	C	.	.	S	Bend	trans	-70.3	-14.5	-173.7	0	0	0	0	0	113.8	R143 I147 V157 Y158 D159 V173	R143-A175 PolarHBondContact NH2-O 2.99Å; I147-A175 HydrophobicContact CD1-CB 4.14Å; I147-A175 WeakPolarHBondContact CD1-O 3.48Å; V157-A175 HydrophobicContact CG1-CB 4.23Å; Y158-A175 PolarHBondContact O-N 3.47Å; D159-A175 HydrophobicContact CB-CB 3.93Å; V173-A175 PolarHBondContact O-N 3.2Å
176	E	98.8	Very high	98.3	Very high	34 Å²	34	36.6 Å²	36.6	16%	0.159	21%	0.212	C	C	.	.			trans	-150.3	163.3	174.2	63.6	176.3	-152.9	0	0	110.6	K160 K161 H174	K160-E176 WeakPolarHBondContact CE-OE1 3.4Å; K160-E176 HydrophobicContact CG-CG 4.4Å; K161-E176 WeakPolarHBondContact CD-OE2 3.48Å; K161-E176 WeakPolarHBondContact CE-OE1 3.27Å; K161-E176 WeakPolarHBondContact CE-OE2 3.15Å; K161-E176 IonicContact NZ-OE1 3.76Å; K161-E176 IonicContact NZ-OE2 2.97Å; K161-E176 PolarHBondContact NZ-OE2 2.9Å; H174-E176 PolarHBondContact O-N 2.79Å
177	G	98.7	Very high	98.4	Very high	2 Å²	2	35.5 Å²	35.5	2%	0.021	19%	0.194	C	C	.	.			trans	171.1	155	176.9	0	0	0	0	0	112.8	L104 N105 Q106 D202	L104-G177 WeakPolarHBondContact CD2-O 3.4Å; N105-G177 PolarHBondContact N-O 2.78Å; N105-G177 PolarHBondContact OD1-N 2.94Å; N105-G177 PolarHBondContact OD1-O 3.42Å; Q106-G177 PolarHBondContact N-O 2.96Å; G177-D202 WeakPolarHBondContact CA-OD2 3.32Å
178	S	98.9	Very high	98.4	Very high	20 Å²	20	34.2 Å²	34.2	14%	0.14	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.3	-178.3	62.3	0	0	0	0	111.1	Q106 L201 D202 I203	Q106-S178 WeakPolarHBondContact O-CA 3.49Å; S178-L201 WeakPolarHBondContact OG-CA 3.24Å; S178-D202 PolarHBondContact N-OD2 2.84Å; S178-D202 WeakPolarHBondContact O-CB 3.26Å; S178-D202 PolarHBondContact O-N 2.95Å; S178-D202 PolarHBondContact OG-N 2.84Å; S178-D202 PolarHBondContact OG-OD2 3.28Å; S178-I203 PolarHBondContact O-N 3.39Å
179	A	98.9	Very high	98.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	135.1	177.6	0	0	0	0	0	111.6	L104 Q106 F107 M108 I203 L208	L104-A179 HydrophobicContact CD1-CB 3.89Å; L104-A179 HydrophobicContact CD2-CB 4.04Å; Q106-A179 PolarHBondContact O-N 3.38Å; Q106-A179 VanDerWaalsContact O-N 3.12Å; F107-A179 CarbonylContact C-O 3.55Å; F107-A179 WeakPolarHBondContact CA-O 3.48Å; F107-A179 VanDerWaalsContact CB-O 3.3Å; F107-A179 WeakPolarHBondContact CB-O 3.37Å; M108-A179 PolarHBondContact N-O 3.47Å; A179-I203 CarbonylContact C-O 3.58Å; A179-I203 WeakPolarHBondContact CA-O 3.34Å; A179-I203 HydrophobicContact CB-CD1 3.96Å; A179-I203 HydrophobicContact CB-CG1 3.67Å; A179-L208 HydrophobicContact CB-CD2 3.88Å
180	V	98.9	Very high	98.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	121.7	158.5	57	0	0	0	0	109.9	L92 M108 K110 I182 H196 L201 I203 V204 N205	L92-V180 HydrophobicContact CD1-CG1 4Å; M108-V180 HydrophobicContact CB-CB 4.41Å; M108-V180 HydrophobicContact CB-CG2 4.43Å; M108-V180 WeakPolarHBondContact O-CA 3.33Å; M108-V180 HydrophobicContact SD-CG2 4.31Å; K110-V180 HydrophobicContact CB-CG2 4.46Å; K110-V180 HydrophobicContact CD-CG2 3.76Å; K110-V180 HydrophobicContact CG-CG2 3.93Å; V180-I182 HydrophobicContact CG2-CG2 4.29Å; V180-H196 HydrophobicContact CG1-CB 4.17Å; V180-L201 HydrophobicContact CB-CD1 3.63Å; V180-L201 HydrophobicContact CB-CD2 4.25Å; V180-L201 HydrophobicContact CB-CG 4.41Å; V180-L201 HydrophobicContact CG1-CD1 3.91Å; V180-L201 HydrophobicContact CG2-CD1 4.26Å; V180-I203 PolarHBondContact N-O 3.14Å; V180-V204 HydrophobicContact CG1-CB 3.86Å; V180-V204 HydrophobicContact CG1-CG2 4Å; V180-V204 WeakPolarHBondContact O-CA 3.29Å; V180-N205 PolarHBondContact O-N 3.14Å
181	T	98.9	Very high	98.5	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	104.2	175.5	-55.5	0	0	0	0	109.6	M108 K110 T111 N205 V209	M108-T181 PolarHBondContact O-N 2.88Å; K110-T181 CarbonylContact C-O 3.4Å; K110-T181 WeakPolarHBondContact CA-O 3.43Å; K110-T181 WeakPolarHBondContact CB-O 3.29Å; K110-T181 PolarHBondContact N-O 3.45Å; T111-T181 HydrophobicContact CG2-CG2 3.44Å; T111-T181 VanDerWaalsContact CG2-CG2 3.44Å; T111-T181 PolarHBondContact N-O 2.9Å; T181-N205 CarbonylContact C-O 3.54Å; T181-N205 WeakPolarHBondContact CA-O 3.27Å; T181-N205 WeakPolarHBondContact CA-OD1 3.47Å; T181-N205 WeakPolarHBondContact CB-OD1 3.48Å; T181-N205 WeakPolarHBondContact CG2-OD1 3.5Å; T181-N205 PolarHBondContact OG1-OD1 3.21Å; T181-V209 HydrophobicContact CG2-CB 4.13Å
182	I	98.8	Very high	98.5	Very high	18 Å²	18	38.4 Å²	38.4	9%	0.092	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	157	173.4	66.5	172	0	0	0	110.7	V180 G184 V204 N205 M206	V180-I182 HydrophobicContact CG2-CG2 4.29Å; I182-G184 PolarHBondContact O-N 3.06Å; I182-V204 HydrophobicContact CD1-CG2 4.03Å; I182-V204 HydrophobicContact CG1-CG2 4.06Å; I182-V204 HydrophobicContact CG2-CG2 3.98Å; I182-N205 PolarHBondContact N-O 2.95Å; I182-M206 HydrophobicContact CD1-CE 4.03Å; I182-M206 HydrophobicContact CG1-CE 4.4Å; I182-M206 HydrophobicContact CG1-CG 3.94Å; I182-M206 WeakPolarHBondContact O-CA 3.36Å
183	N	98.7	Very high	98.5	Very high	15 Å²	15	38.3 Å²	38.3	8%	0.08	20%	0.2	C	C	.	.			trans	-71.1	-29.2	-173.9	-152.8	51.4	0	0	0	114.2	W112 R114	W112-N183 PolarHBondContact N-OD1 3.37Å; W112-N183 VanDerWaalsContact N-OD1 3.1Å; W112-N183 PolarHBondContact NE1-ND2 3.39Å; W112-N183 PolarHBondContact O-ND2 3.41Å; W112-N183 PolarHBondContact O-OD1 2.78Å; W112-N183 VanDerWaalsContact O-OD1 3.12Å; R114-N183 PolarHBondContact NE-OD1 2.74Å; R114-N183 PolarHBondContact NH2-O 2.86Å
184	G	97.6	Very high	98.5	Very high	18 Å²	18	42.2 Å²	42.2	19%	0.186	22%	0.217	C	C	.	.			trans	68.5	-174.3	-169.8	0	0	0	0	0	113	I182	I182-G184 PolarHBondContact O-N 3.06Å
185	P	97.1	Very high	98.5	Very high	100 Å²	100	45.7 Å²	45.7	65%	0.649	24%	0.235	S	C	*	.	S	Bend	cis	-80.7	-12.7	1.6	33	-36.2	0	0	0	114
186	R	98.3	Very high	98.5	Very high	140 Å²	140	45.2 Å²	45.2	53%	0.528	23%	0.231	S	C	.	.	S	Bend	trans	-68	149.6	176.3	68.1	166.7	-175.2	84.9	-4.5	111.5	E192 M206	R186-E192 IonicContact CZ-OE1 3.27Å; R186-E192 IonicContact CZ-OE2 3.45Å; R186-E192 IonicContact NH1-OE1 3.21Å; R186-E192 IonicContact NH1-OE2 2.87Å; R186-E192 PolarHBondContact NH1-OE2 3.18Å; R186-E192 IonicContact NH2-OE1 3.43Å; R186-E192 PolarHBondContact NH2-OE1 2.75Å; R186-E192 IonicContact NH2-OE2 3.59Å; R186-E192 PolarHBondContact NH2-OE2 3.28Å; R186-M206 VanDerWaalsContact O-CE 3.28Å; R186-M206 WeakPolarHBondContact O-CE 3.47Å
187	F	98.1	Very high	98.5	Very high	78 Å²	78	45.6 Å²	45.6	34%	0.342	23%	0.232	S	C	.	.	P	Polyproline II helix	trans	-68.8	170.3	162.7	-62.6	-69.1	0	0	0	111.3	M206 V241 V243 V246	F187-M206 HydrophobicContact CD1-CE 3.99Å; F187-M206 HydrophobicContact CE1-CE 4.28Å; F187-V241 HydrophobicContact CB-CG1 3.81Å; F187-V241 HydrophobicContact CD1-CG1 3.73Å; F187-V241 HydrophobicContact CD1-CG2 3.92Å; F187-V241 HydrophobicContact CD2-CG1 4.1Å; F187-V241 HydrophobicContact CE1-CG1 4.31Å; F187-V241 HydrophobicContact CE1-CG2 3.64Å; F187-V241 HydrophobicContact CE2-CG2 4.32Å; F187-V241 HydrophobicContact CG-CG1 3.61Å; F187-V241 HydrophobicContact CG-CG2 4.39Å; F187-V241 HydrophobicContact CZ-CG2 3.86Å; F187-V243 HydrophobicContact CE2-CG2 4.35Å; F187-V246 HydrophobicContact CZ-CG2 4.48Å
188	S	98.4	Very high	98.5	Very high	13 Å²	13	49.7 Å²	49.7	9%	0.091	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-65.2	150	176.3	-60.8	0	0	0	0	111.2	C233	S188-C233 PolarHBondContact O-SG 2.8Å
189	T	98.5	Very high	98.5	Very high	71 Å²	71	54.1 Å²	54.1	44%	0.436	29%	0.286	S	S	.	.	P	Polyproline II helix	trans	-73	157.4	158.3	61.8	0	0	0	0	109.3	C191 E192 S193 C233	T189-C191 PolarHBondContact O-N 3.07Å; T189-E192 PolarHBondContact N-OE2 3.28Å; T189-E192 WeakPolarHBondContact O-CB 3.32Å; T189-E192 PolarHBondContact O-N 2.95Å; T189-E192 VanDerWaalsContact OG1-CG 3.31Å; T189-E192 WeakPolarHBondContact OG1-CG 3.41Å; T189-E192 PolarHBondContact OG1-N 2.95Å; T189-E192 PolarHBondContact OG1-OE2 2.77Å; T189-S193 PolarHBondContact O-N 2.73Å; T189-C233 VanDerWaalsContact C-SG 3.52Å
190	R	98.3	Very high	98.5	Very high	145 Å²	145	56.3 Å²	56.3	55%	0.547	31%	0.308	S	S	.	.	H	α-helix	trans	-54.5	-38.4	173	-176.7	171.9	122.5	105.3	4.8	112.3	S193 F194 C233	R190-S193 WeakPolarHBondContact O-CB 3.32Å; R190-S193 PolarHBondContact O-N 2.83Å; R190-F194 HydrophobicContact CG-CD2 3.67Å; R190-F194 HydrophobicContact CG-CE2 3.51Å; R190-F194 VanDerWaalsContact CZ-CE2 3.45Å; R190-F194 VanDerWaalsContact O-CD2 3.26Å; R190-F194 WeakPolarHBondContact O-CD2 3.29Å; R190-F194 PolarHBondContact O-N 2.82Å; R190-C233 VanDerWaalsContact CA-SG 3.58Å; R190-C233 WeakPolarHBondContact CG-O 3.42Å; R190-C233 PolarHBondContact N-SG 3.34Å
191	C	98.6	Very high	98.5	Very high	88 Å²	88	56.9 Å²	56.9	60%	0.595	31%	0.311	S	S	*	.	H	α-helix	trans	-58.7	-48.5	174.9	178	0	0	0	0	112	T189 F194 I195	T189-C191 PolarHBondContact O-N 3.07Å; C191-F194 PolarHBondContact O-N 3.05Å; C191-I195 VanDerWaalsContact O-CG1 3.31Å; C191-I195 WeakPolarHBondContact O-CG1 3.45Å; C191-I195 PolarHBondContact O-N 2.72Å
192	E	98.8	Very high	98.5	Very high	44 Å²	44	57.6 Å²	57.6	21%	0.206	32%	0.315	C	S	.	.	H	α-helix	trans	-61.9	-43.8	176.1	-70.9	165.5	135.4	0	0	111.6	R186 T189 F194 I195 H196	R186-E192 IonicContact CZ-OE1 3.27Å; R186-E192 IonicContact CZ-OE2 3.45Å; R186-E192 IonicContact NH1-OE1 3.21Å; R186-E192 IonicContact NH1-OE2 2.87Å; R186-E192 PolarHBondContact NH1-OE2 3.18Å; R186-E192 IonicContact NH2-OE1 3.43Å; R186-E192 PolarHBondContact NH2-OE1 2.75Å; R186-E192 IonicContact NH2-OE2 3.59Å; R186-E192 PolarHBondContact NH2-OE2 3.28Å; T189-E192 PolarHBondContact N-OE2 3.28Å; T189-E192 WeakPolarHBondContact O-CB 3.32Å; T189-E192 PolarHBondContact O-N 2.95Å; T189-E192 VanDerWaalsContact OG1-CG 3.31Å; T189-E192 WeakPolarHBondContact OG1-CG 3.41Å; T189-E192 PolarHBondContact OG1-N 2.95Å; T189-E192 PolarHBondContact OG1-OE2 2.77Å; E192-F194 PolarHBondContact O-N 2.83Å; E192-I195 PolarHBondContact O-N 2.88Å; E192-I195 VanDerWaalsContact O-N 3.14Å; E192-H196 PolarHBondContact O-N 3.42Å; E192-H196 PolarHBondContact O-ND1 2.74Å
193	S	98.7	Very high	98.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-56.1	-49.1	178	-163	0	0	0	0	112.2	T189 R190 I195 H196 K197 D232	T189-S193 PolarHBondContact O-N 2.73Å; R190-S193 WeakPolarHBondContact O-CB 3.32Å; R190-S193 PolarHBondContact O-N 2.83Å; S193-I195 PolarHBondContact O-N 2.98Å; S193-H196 PolarHBondContact O-N 2.9Å; S193-K197 WeakPolarHBondContact O-CB 3.28Å; S193-K197 PolarHBondContact O-N 3.27Å; S193-D232 WeakPolarHBondContact CB-OD2 3.35Å; S193-D232 PolarHBondContact OG-OD2 3.3Å
194	F	98.7	Very high	98.5	Very high	81 Å²	81	56.5 Å²	56.5	36%	0.355	31%	0.31	S	S	.	.	H	α-helix	trans	-64.9	-37.4	175.9	-83.6	-72.8	0	0	0	113	R190 C191 E192 A198 W234	R190-F194 HydrophobicContact CG-CD2 3.67Å; R190-F194 HydrophobicContact CG-CE2 3.51Å; R190-F194 VanDerWaalsContact CZ-CE2 3.45Å; R190-F194 VanDerWaalsContact O-CD2 3.26Å; R190-F194 WeakPolarHBondContact O-CD2 3.29Å; R190-F194 PolarHBondContact O-N 2.82Å; C191-F194 PolarHBondContact O-N 3.05Å; E192-F194 PolarHBondContact O-N 2.83Å; F194-A198 WeakPolarHBondContact O-CB 3.49Å; F194-A198 PolarHBondContact O-N 2.94Å; F194-W234 HydrophobicContact CE1-CB 4.27Å; F194-W234 HydrophobicContact CE2-CB 4.14Å; F194-W234 HydrophobicContact CZ-CB 4.02Å; F194-W234 VanDerWaalsContact CZ-O 3.24Å; F194-W234 WeakPolarHBondContact CZ-O 3.47Å
195	I	98.8	Very high	98.6	Very high	81 Å²	81	55.9 Å²	55.9	42%	0.415	30%	0.302	S	S	.	.	H	α-helix	trans	-63.1	-46.6	175.5	-71.5	167	0	0	0	110.2	C191 E192 S193 A198 M199	C191-I195 VanDerWaalsContact O-CG1 3.31Å; C191-I195 WeakPolarHBondContact O-CG1 3.45Å; C191-I195 PolarHBondContact O-N 2.72Å; E192-I195 PolarHBondContact O-N 2.88Å; E192-I195 VanDerWaalsContact O-N 3.14Å; S193-I195 PolarHBondContact O-N 2.98Å; I195-A198 PolarHBondContact O-N 3.29Å; I195-M199 HydrophobicContact CG2-CE 3.89Å; I195-M199 HydrophobicContact CG2-SD 4.32Å; I195-M199 WeakPolarHBondContact O-CG 3.46Å; I195-M199 PolarHBondContact O-N 3.26Å
196	H	98.8	Very high	98.6	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-63.3	-44.9	178.7	-62.8	149.4	0	0	0	111.9	L92 K110 V180 E192 S193 A198 M199 L201	L92-H196 HydrophobicContact CD1-CB 3.71Å; L92-H196 HydrophobicContact CD2-CB 4.43Å; K110-H196 VanDerWaalsContact CD-NE2 3.27Å; K110-H196 WeakPolarHBondContact CD-NE2 3.42Å; K110-H196 PolarHBondContact NZ-NE2 2.77Å; K110-H196 VanDerWaalsContact NZ-NE2 3.2Å; V180-H196 HydrophobicContact CG1-CB 4.17Å; E192-H196 PolarHBondContact O-N 3.42Å; E192-H196 PolarHBondContact O-ND1 2.74Å; S193-H196 PolarHBondContact O-N 2.9Å; H196-A198 VanDerWaalsContact C-N 3.33Å; H196-A198 PolarHBondContact O-N 3.09Å; H196-M199 WeakPolarHBondContact O-CB 3.35Å; H196-M199 PolarHBondContact O-N 3.31Å; H196-L201 HydrophobicContact CB-CD1 3.96Å; H196-L201 WeakPolarHBondContact O-CB 3.26Å; H196-L201 PolarHBondContact O-N 3.01Å
197	K	98.6	Very high	98.6	Very high	42 Å²	42	46.3 Å²	46.3	18%	0.183	26%	0.256	C	S	.	.	H	α-helix	trans	-58.1	-44.2	173.4	179.1	174.2	-177.3	65.2	0	111.9	L92 S193 M199 G200 W234	L92-K197 HydrophobicContact CB-CB 4.41Å; L92-K197 VanDerWaalsContact O-CD 3.26Å; L92-K197 WeakPolarHBondContact O-CD 3.19Å; L92-K197 VanDerWaalsContact O-CG 3.28Å; L92-K197 WeakPolarHBondContact O-CG 3.49Å; L92-K197 PolarHBondContact O-NZ 3.45Å; S193-K197 WeakPolarHBondContact O-CB 3.28Å; S193-K197 PolarHBondContact O-N 3.27Å; K197-M199 VanDerWaalsContact C-N 3.26Å; K197-M199 PolarHBondContact O-N 3.06Å; K197-G200 PolarHBondContact O-N 2.93Å; K197-W234 HydrophobicContact CD-CD2 4.08Å; K197-W234 HydrophobicContact CD-CE3 4.11Å; K197-W234 HydrophobicContact CD-CG 4.33Å
198	A	98.6	Very high	98.7	Very high	89 Å²	89	42.6 Å²	42.6	74%	0.736	24%	0.239	S	C	*	.	H	α-helix	trans	-66.8	-25.7	179.2	0	0	0	0	0	113.3	F194 I195 H196 G200	F194-A198 WeakPolarHBondContact O-CB 3.49Å; F194-A198 PolarHBondContact O-N 2.94Å; I195-A198 PolarHBondContact O-N 3.29Å; H196-A198 VanDerWaalsContact C-N 3.33Å; H196-A198 PolarHBondContact O-N 3.09Å; A198-G200 PolarHBondContact O-N 3.41Å
199	M	98.7	Very high	98.7	Very high	113 Å²	113	42 Å²	42	56%	0.557	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-3.7	170.1	-70.2	173.4	171.9	0	0	113.1	M108 I195 H196 K197 L201	M108-M199 HydrophobicContact CE-CE 4.44Å; M108-M199 HydrophobicContact CE-SD 3.95Å; M108-M199 HydrophobicContact SD-SD 3.96Å; I195-M199 HydrophobicContact CG2-CE 3.89Å; I195-M199 HydrophobicContact CG2-SD 4.32Å; I195-M199 WeakPolarHBondContact O-CG 3.46Å; I195-M199 PolarHBondContact O-N 3.26Å; H196-M199 WeakPolarHBondContact O-CB 3.35Å; H196-M199 PolarHBondContact O-N 3.31Å; K197-M199 VanDerWaalsContact C-N 3.26Å; K197-M199 PolarHBondContact O-N 3.06Å; M199-L201 HydrophobicContact CB-CD1 4.15Å; M199-L201 HydrophobicContact CB-CG 4.38Å
200	G	98.5	Very high	98.7	Very high	46 Å²	46	38.6 Å²	38.6	47%	0.474	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	17	-179.7	0	0	0	0	0	114.3	K197 A198	K197-G200 PolarHBondContact O-N 2.93Å; A198-G200 PolarHBondContact O-N 3.41Å
201	L	98.9	Very high	98.7	Very high	12 Å²	12	31.7 Å²	31.7	6%	0.063	19%	0.189	C	C	.	.			trans	-72.7	142.6	176.5	-67.1	156.6	0	0	0	110.6	L92 Q93 M108 S178 V180 H196 M199	L92-L201 WeakPolarHBondContact CB-O 3.06Å; L92-L201 HydrophobicContact CD1-CB 3.82Å; Q93-L201 PolarHBondContact NE2-O 3.12Å; M108-L201 HydrophobicContact CB-CD1 4.47Å; M108-L201 HydrophobicContact CB-CD2 3.81Å; M108-L201 HydrophobicContact SD-CD1 3.84Å; S178-L201 WeakPolarHBondContact OG-CA 3.24Å; V180-L201 HydrophobicContact CB-CD1 3.63Å; V180-L201 HydrophobicContact CB-CD2 4.25Å; V180-L201 HydrophobicContact CB-CG 4.41Å; V180-L201 HydrophobicContact CG1-CD1 3.91Å; V180-L201 HydrophobicContact CG2-CD1 4.26Å; H196-L201 HydrophobicContact CB-CD1 3.96Å; H196-L201 WeakPolarHBondContact O-CB 3.26Å; H196-L201 PolarHBondContact O-N 3.01Å; M199-L201 HydrophobicContact CB-CD1 4.15Å; M199-L201 HydrophobicContact CB-CG 4.38Å
202	D	98.9	Very high	98.7	Very high	15 Å²	15	27.5 Å²	27.5	8%	0.08	16%	0.16	C	C	.	.			trans	-89.3	-42.1	-174.8	-57.2	-78.8	0	0	0	112.3	L92 L96 K160 G177 S178	L92-D202 WeakPolarHBondContact CB-O 3.15Å; L92-D202 PolarHBondContact N-O 3.28Å; L96-D202 HydrophobicContact CD2-CB 3.94Å; K160-D202 IonicContact NZ-OD1 2.76Å; K160-D202 PolarHBondContact NZ-OD1 3.48Å; K160-D202 IonicContact NZ-OD2 2.9Å; G177-D202 WeakPolarHBondContact CA-OD2 3.32Å; S178-D202 PolarHBondContact N-OD2 2.84Å; S178-D202 WeakPolarHBondContact O-CB 3.26Å; S178-D202 PolarHBondContact O-N 2.95Å; S178-D202 PolarHBondContact OG-N 2.84Å; S178-D202 PolarHBondContact OG-OD2 3.28Å
203	I	98.9	Very high	98.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	160.6	-178.2	66.8	166.9	0	0	0	112.6	C89 G90 L96 V102 L104 S178 A179 V180 A226	C89-I203 HydrophobicContact CB-CB 4.13Å; C89-I203 HydrophobicContact CB-CD1 3.73Å; C89-I203 HydrophobicContact CB-CG1 4.37Å; C89-I203 VanDerWaalsContact SG-CD1 3.57Å; G90-I203 CarbonylContact O-C 3.51Å; G90-I203 VanDerWaalsContact O-CA 3.27Å; G90-I203 WeakPolarHBondContact O-CA 3.2Å; G90-I203 WeakPolarHBondContact O-CB 3.22Å; L96-I203 HydrophobicContact CD2-CG2 3.53Å; V102-I203 HydrophobicContact CG2-CG2 4.15Å; L104-I203 HydrophobicContact CD1-CD1 4.13Å; L104-I203 HydrophobicContact CD2-CD1 3.67Å; L104-I203 HydrophobicContact CD2-CG1 4.11Å; L104-I203 HydrophobicContact CG-CD1 4.33Å; S178-I203 PolarHBondContact O-N 3.39Å; A179-I203 CarbonylContact C-O 3.58Å; A179-I203 WeakPolarHBondContact CA-O 3.34Å; A179-I203 HydrophobicContact CB-CD1 3.96Å; A179-I203 HydrophobicContact CB-CG1 3.67Å; V180-I203 PolarHBondContact N-O 3.14Å; I203-A226 HydrophobicContact CD1-CB 3.46Å; I203-A226 VanDerWaalsContact CD1-CB 3.46Å
204	V	98.9	Very high	98.8	Very high	9 Å²	9	26.7 Å²	26.7	6%	0.055	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.2	169.9	57.5	0	0	0	0	110.9	C89 G90 L92 V180 I182 D232	C89-V204 VanDerWaalsContact CA-O 3.22Å; C89-V204 WeakPolarHBondContact CA-O 3.42Å; C89-V204 WeakPolarHBondContact CB-O 3.44Å; G90-V204 PolarHBondContact N-O 2.8Å; G90-V204 PolarHBondContact O-N 3.45Å; L92-V204 HydrophobicContact CD1-CB 4.4Å; L92-V204 HydrophobicContact CD2-CG1 4.32Å; V180-V204 HydrophobicContact CG1-CB 3.86Å; V180-V204 HydrophobicContact CG1-CG2 4Å; V180-V204 WeakPolarHBondContact O-CA 3.29Å; I182-V204 HydrophobicContact CD1-CG2 4.03Å; I182-V204 HydrophobicContact CG1-CG2 4.06Å; I182-V204 HydrophobicContact CG2-CG2 3.98Å; V204-D232 HydrophobicContact CG1-CB 3.86Å
205	N	98.6	Very high	98.8	Very high	6 Å²	6	22.8 Å²	22.8	3%	0.032	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	-175.7	173.6	74.9	14.2	0	0	0	111.8	C89 V180 T181 I182 L208	C89-N205 HydrophobicContact CB-CB 4.09Å; V180-N205 PolarHBondContact O-N 3.14Å; T181-N205 CarbonylContact C-O 3.54Å; T181-N205 WeakPolarHBondContact CA-O 3.27Å; T181-N205 WeakPolarHBondContact CA-OD1 3.47Å; T181-N205 WeakPolarHBondContact CB-OD1 3.48Å; T181-N205 WeakPolarHBondContact CG2-OD1 3.5Å; T181-N205 PolarHBondContact OG1-OD1 3.21Å; I182-N205 PolarHBondContact N-O 2.95Å; N205-L208 WeakPolarHBondContact ND2-CB 3.41Å
206	M	98.5	Very high	98.8	Very high	28 Å²	28	21 Å²	21	14%	0.138	13%	0.13	C	C	.	.	S	Bend	trans	-124.7	-5.4	-179.7	-59.1	-176.6	-175.7	0	0	114.7	P63 R114 I182 R186 F187	P63-M206 HydrophobicContact CB-CB 3.67Å; P63-M206 HydrophobicContact CG-CB 3.74Å; P63-M206 HydrophobicContact CG-CG 4.5Å; P63-M206 HydrophobicContact CG-SD 3.95Å; R114-M206 PolarHBondContact NH1-O 3.37Å; R114-M206 PolarHBondContact NH2-O 2.91Å; I182-M206 HydrophobicContact CD1-CE 4.03Å; I182-M206 HydrophobicContact CG1-CE 4.4Å; I182-M206 HydrophobicContact CG1-CG 3.94Å; I182-M206 WeakPolarHBondContact O-CA 3.36Å; R186-M206 VanDerWaalsContact O-CE 3.28Å; R186-M206 WeakPolarHBondContact O-CE 3.47Å; F187-M206 HydrophobicContact CD1-CE 3.99Å; F187-M206 HydrophobicContact CE1-CE 4.28Å
207	T	98.6	Very high	98.8	Very high	10 Å²	10	21.8 Å²	21.8	6%	0.061	13%	0.134	C	C	.	.	S	Bend	trans	-128.1	-7.2	-161.3	48.7	0	0	0	0	116.1	P63 Y68 N87	P63-T207 HydrophobicContact CB-CG2 3.93Å; P63-T207 HydrophobicContact CG-CG2 4.19Å; Y68-T207 WeakPolarHBondContact CE1-O 3.49Å; N87-T207 PolarHBondContact ND2-OG1 3.15Å
208	L	98.8	Very high	98.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-69.2	-44	-179.3	171.2	68.9	0	0	0	112.3	L104 F107 F138 A179 N205 E211 V212 Y222	L104-L208 HydrophobicContact CD1-CD2 3.93Å; F107-L208 HydrophobicContact CB-CD2 3.71Å; F107-L208 HydrophobicContact CD1-CD2 4.35Å; F107-L208 HydrophobicContact CG-CD2 4.26Å; F138-L208 HydrophobicContact CE1-CD1 3.83Å; F138-L208 HydrophobicContact CZ-CD1 3.84Å; F138-L208 HydrophobicContact CZ-CD2 4.09Å; A179-L208 HydrophobicContact CB-CD2 3.88Å; N205-L208 WeakPolarHBondContact ND2-CB 3.41Å; L208-E211 WeakPolarHBondContact O-CB 3.02Å; L208-E211 PolarHBondContact O-N 2.83Å; L208-V212 HydrophobicContact CD1-CB 3.95Å; L208-V212 HydrophobicContact CD1-CG1 4.1Å; L208-V212 HydrophobicContact CG-CG1 4.1Å; L208-V212 PolarHBondContact O-N 3.43Å; L208-Y222 HydrophobicContact CD1-CE1 4.09Å
209	V	98.9	Very high	98.8	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.006	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	131.5	178.9	-172.9	0	0	0	0	109.3	F107 D109 T111 R114 T181 V212	F107-V209 HydrophobicContact CD1-CG2 4.47Å; F107-V209 HydrophobicContact CD2-CG2 3.59Å; F107-V209 HydrophobicContact CE2-CG2 3.7Å; F107-V209 HydrophobicContact CG-CG2 4.02Å; F107-V209 HydrophobicContact CZ-CG2 4.18Å; D109-V209 HydrophobicContact CB-CG1 4.24Å; D109-V209 HydrophobicContact CB-CG2 4.5Å; D109-V209 WeakPolarHBondContact OD2-CG1 3.49Å; T111-V209 HydrophobicContact CG2-CB 4.27Å; R114-V209 PolarHBondContact NH1-O 3.15Å; T181-V209 HydrophobicContact CG2-CB 4.13Å; V209-V212 HydrophobicContact CG2-CG1 4.35Å
210	P	98.8	Very high	98.8	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.4	12.8	7.8	37.7	-37.6	0	0	0	116.1	Y68 R114 N116 V212 S213 L214	Y68-P210 HydrophobicContact CD2-CG 3.87Å; Y68-P210 HydrophobicContact CG-CG 4.02Å; R114-P210 HydrophobicContact CB-CG 4.42Å; N116-P210 HydrophobicContact CB-CB 3.6Å; N116-P210 HydrophobicContact CB-CG 4.1Å; P210-V212 PolarHBondContact O-N 3Å; P210-S213 PolarHBondContact O-N 3.31Å; P210-S213 VanDerWaalsContact O-N 3.15Å; P210-L214 HydrophobicContact CB-CD1 4.09Å; P210-L214 HydrophobicContact CB-CG 4.35Å; P210-L214 HydrophobicContact CG-CD1 3.93Å; P210-L214 WeakPolarHBondContact O-CB 3.39Å; P210-L214 WeakPolarHBondContact O-CG 3.3Å; P210-L214 PolarHBondContact O-N 3.26Å
211	E	98.9	Very high	98.8	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-54.2	-46.9	-176.2	-166.1	171.7	99.7	0	0	113.1	I9 R54 Y68 V72 A85 L208 A215 Y222	I9-E211 HydrophobicContact CD1-CG 4.09Å; R54-E211 IonicContact CZ-OE1 3.96Å; R54-E211 IonicContact CZ-OE2 3.09Å; R54-E211 IonicContact NE-OE1 2.79Å; R54-E211 IonicContact NE-OE2 2.95Å; R54-E211 PolarHBondContact NE-OE2 3.28Å; R54-E211 IonicContact NH2-OE1 3.74Å; R54-E211 PolarHBondContact NH2-OE1 2.9Å; R54-E211 IonicContact NH2-OE2 2.88Å; R54-E211 PolarHBondContact NH2-OE2 3.47Å; Y68-E211 HydrophobicContact CD1-CB 3.8Å; Y68-E211 HydrophobicContact CD1-CG 4.33Å; Y68-E211 HydrophobicContact CE1-CB 4.2Å; V72-E211 HydrophobicContact CG2-CG 4.36Å; A85-E211 WeakPolarHBondContact CB-OE1 3.22Å; L208-E211 WeakPolarHBondContact O-CB 3.02Å; L208-E211 PolarHBondContact O-N 2.83Å; E211-A215 WeakPolarHBondContact O-CB 3.46Å; E211-A215 PolarHBondContact O-N 3.46Å; E211-Y222 HydrophobicContact CG-CE2 3.88Å; E211-Y222 PolarHBondContact OE1-OH 2.78Å; E211-Y222 VanDerWaalsContact OE1-OH 3.06Å
212	V	98.9	Very high	98.8	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-62.3	-43	177.3	61.8	0	0	0	0	112.5	F107 M134 P137 F138 L208 V209 P210 A215 R216 Y222	F107-V212 HydrophobicContact CD1-CG1 4Å; F107-V212 HydrophobicContact CE1-CG1 3.55Å; F107-V212 HydrophobicContact CZ-CG1 4.18Å; M134-V212 HydrophobicContact CE-CG1 4.46Å; P137-V212 HydrophobicContact CB-CG2 4.26Å; P137-V212 WeakPolarHBondContact O-CG2 3.41Å; F138-V212 HydrophobicContact CD1-CG2 4.01Å; F138-V212 HydrophobicContact CE1-CG2 3.94Å; F138-V212 HydrophobicContact CG-CG2 4.44Å; F138-V212 HydrophobicContact CZ-CG2 4.28Å; L208-V212 HydrophobicContact CD1-CB 3.95Å; L208-V212 HydrophobicContact CD1-CG1 4.1Å; L208-V212 HydrophobicContact CG-CG1 4.1Å; L208-V212 PolarHBondContact O-N 3.43Å; V209-V212 HydrophobicContact CG2-CG1 4.35Å; P210-V212 PolarHBondContact O-N 3Å; V212-A215 PolarHBondContact O-N 2.56Å; V212-R216 PolarHBondContact O-N 2.99Å; V212-Y222 HydrophobicContact CB-CD1 3.96Å; V212-Y222 HydrophobicContact CB-CE1 3.7Å; V212-Y222 HydrophobicContact CG2-CD1 3.68Å; V212-Y222 HydrophobicContact CG2-CE1 3.85Å
213	S	98.9	Very high	98.8	Very high	26 Å²	26	8.6 Å²	8.6	18%	0.182	5%	0.048	C	C	.	.	H	α-helix	trans	-65.5	-47.9	-179.4	-49.8	0	0	0	0	110.8	P210 A215 R216 E217	P210-S213 PolarHBondContact O-N 3.31Å; P210-S213 VanDerWaalsContact O-N 3.15Å; S213-A215 PolarHBondContact O-N 3.08Å; S213-R216 WeakPolarHBondContact O-CB 3.47Å; S213-R216 PolarHBondContact O-N 2.93Å; S213-E217 PolarHBondContact O-N 3.23Å
214	L	98.9	Very high	98.8	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-64.9	-38.4	179.2	-70.2	166.2	0	0	0	111.5	R69 V72 F118 P210 R216 E217 A218	R69-L214 HydrophobicContact CG-CD1 3.99Å; R69-L214 HydrophobicContact CG-CD2 4.02Å; V72-L214 HydrophobicContact CB-CB 4.35Å; V72-L214 HydrophobicContact CG1-CB 4.35Å; V72-L214 HydrophobicContact CG2-CB 4.09Å; F118-L214 HydrophobicContact CD1-CD2 4.08Å; F118-L214 HydrophobicContact CD2-CD2 3.98Å; F118-L214 HydrophobicContact CE1-CD2 3.97Å; F118-L214 HydrophobicContact CE2-CB 4.04Å; F118-L214 HydrophobicContact CE2-CD2 3.85Å; F118-L214 VanDerWaalsContact CE2-O 3.29Å; F118-L214 WeakPolarHBondContact CE2-O 3.29Å; F118-L214 HydrophobicContact CG-CD2 4.11Å; F118-L214 HydrophobicContact CZ-CB 3.99Å; F118-L214 HydrophobicContact CZ-CD2 3.84Å; F118-L214 HydrophobicContact CZ-CG 4.45Å; P210-L214 HydrophobicContact CB-CD1 4.09Å; P210-L214 HydrophobicContact CB-CG 4.35Å; P210-L214 HydrophobicContact CG-CD1 3.93Å; P210-L214 WeakPolarHBondContact O-CB 3.39Å; P210-L214 WeakPolarHBondContact O-CG 3.3Å; P210-L214 PolarHBondContact O-N 3.26Å; L214-R216 VanDerWaalsContact C-N 3.26Å; L214-R216 PolarHBondContact O-N 3.25Å; L214-E217 PolarHBondContact O-N 2.63Å; L214-A218 WeakPolarHBondContact O-CB 3.19Å; L214-A218 PolarHBondContact O-N 2.92Å
215	A	98.9	Very high	98.8	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-61	-38.3	175.6	0	0	0	0	0	111.8	V72 I83 E211 V212 S213 A218 G219 L220 Y222	V72-A215 HydrophobicContact CG1-CB 4.43Å; I83-A215 HydrophobicContact CD1-CB 4.31Å; E211-A215 WeakPolarHBondContact O-CB 3.46Å; E211-A215 PolarHBondContact O-N 3.46Å; V212-A215 PolarHBondContact O-N 2.56Å; S213-A215 PolarHBondContact O-N 3.08Å; A215-A218 PolarHBondContact O-N 2.96Å; A215-G219 PolarHBondContact O-N 2.8Å; A215-L220 WeakPolarHBondContact O-CB 3.3Å; A215-L220 PolarHBondContact O-N 3.08Å; A215-Y222 HydrophobicContact CB-CD2 3.56Å; A215-Y222 HydrophobicContact CB-CG 3.82Å
216	R	98.9	Very high	98.8	Very high	42 Å²	42	7.9 Å²	7.9	16%	0.158	4%	0.043	C	C	.	.	H	α-helix	trans	-67	-44.8	172.8	176.4	165.9	-62.8	-172.2	-6.3	112.3	M132 P133 M134 E136 P137 F138 V212 S213 L214 A218 G219 V284	M132-R216 HydrophobicContact CE-CG 3.42Å; M132-R216 VanDerWaalsContact CE-CG 3.42Å; P133-R216 WeakPolarHBondContact O-CD 3.4Å; P133-R216 PolarHBondContact O-NH1 3.32Å; M134-R216 VanDerWaalsContact SD-CD 3.59Å; E136-R216 VanDerWaalsContact O-CZ 3.24Å; E136-R216 PolarHBondContact O-NH1 2.84Å; E136-R216 PolarHBondContact O-NH2 3.31Å; P137-R216 VanDerWaalsContact O-CZ 3.32Å; P137-R216 PolarHBondContact O-NH2 3Å; F138-R216 PolarHBondContact O-NH2 3.47Å; V212-R216 PolarHBondContact O-N 2.99Å; S213-R216 WeakPolarHBondContact O-CB 3.47Å; S213-R216 PolarHBondContact O-N 2.93Å; L214-R216 VanDerWaalsContact C-N 3.26Å; L214-R216 PolarHBondContact O-N 3.25Å; R216-A218 PolarHBondContact O-N 2.94Å; R216-G219 PolarHBondContact O-N 2.81Å; R216-V284 WeakPolarHBondContact O-CG2 3.15Å
217	E	98.9	Very high	98.7	Very high	18 Å²	18	6.5 Å²	6.5	8%	0.084	4%	0.037	C	C	.	.	H	α-helix	trans	-60	-30.8	174	-66.4	-165.9	176	0	0	112.9	T117 F118 L130 M132 S213 L214 G219 V284	T117-E217 WeakPolarHBondContact CA-OE2 3.5Å; T117-E217 VanDerWaalsContact CB-OE1 3.25Å; T117-E217 WeakPolarHBondContact CB-OE1 3.46Å; T117-E217 VanDerWaalsContact OG1-CD 3.26Å; T117-E217 PolarHBondContact OG1-OE1 2.78Å; T117-E217 PolarHBondContact OG1-OE2 3.29Å; F118-E217 HydrophobicContact CD2-CB 3.74Å; F118-E217 WeakPolarHBondContact CD2-OE2 3.42Å; F118-E217 HydrophobicContact CE2-CB 4.12Å; F118-E217 PolarHBondContact N-OE2 3.02Å; L130-E217 HydrophobicContact CD2-CB 3.89Å; L130-E217 HydrophobicContact CD2-CG 3.58Å; M132-E217 HydrophobicContact CG-CG 3.81Å; S213-E217 PolarHBondContact O-N 3.23Å; L214-E217 PolarHBondContact O-N 2.63Å; E217-G219 PolarHBondContact O-N 3.09Å; E217-V284 WeakPolarHBondContact O-CG2 3.25Å
218	A	98.8	Very high	98.7	Very high	13 Å²	13	6 Å²	6	11%	0.107	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-6.2	175.8	0	0	0	0	0	113.6	V72 K76 F118 L214 A215 R216 L220	V72-A218 HydrophobicContact CG1-CB 3.75Å; K76-A218 HydrophobicContact CD-CB 3.89Å; F118-A218 HydrophobicContact CE2-CB 4.01Å; L214-A218 WeakPolarHBondContact O-CB 3.19Å; L214-A218 PolarHBondContact O-N 2.92Å; A215-A218 PolarHBondContact O-N 2.96Å; R216-A218 PolarHBondContact O-N 2.94Å; A218-L220 HydrophobicContact CB-CD1 3.98Å; A218-L220 HydrophobicContact CB-CG 3.84Å
219	G	98.7	Very high	98.6	Very high	8 Å²	8	6.3 Å²	6.3	8%	0.082	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	28.1	-176	0	0	0	0	0	113.4	A215 R216 E217 N280	A215-G219 PolarHBondContact O-N 2.8Å; R216-G219 PolarHBondContact O-N 2.81Å; E217-G219 PolarHBondContact O-N 3.09Å; G219-N280 WeakPolarHBondContact O-CB 3.44Å
220	L	98.8	Very high	98.6	Very high	14 Å²	14	6.8 Å²	6.8	7%	0.073	4%	0.038	C	C	.	.			trans	-102.8	145.8	-178.5	-55.2	-179.8	0	0	0	111.4	V72 K76 C80 I83 A215 A218 Y222	V72-L220 HydrophobicContact CG1-CD1 4.27Å; K76-L220 HydrophobicContact CB-CD1 4.22Å; C80-L220 WeakPolarHBondContact O-CD2 3.14Å; I83-L220 HydrophobicContact CD1-CD1 3.52Å; I83-L220 HydrophobicContact CG1-CD1 3.99Å; A215-L220 WeakPolarHBondContact O-CB 3.3Å; A215-L220 PolarHBondContact O-N 3.08Å; A218-L220 HydrophobicContact CB-CD1 3.98Å; A218-L220 HydrophobicContact CB-CG 3.84Å; L220-Y222 PolarHBondContact O-N 2.84Å
221	S	98.9	Very high	98.6	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	110.6	171.1	-68.8	0	0	0	0	110.1	T81 H82 I83 C139 N280	T81-S221 PolarHBondContact O-N 2.87Å; H82-S221 CarbonylContact C-O 3.35Å; H82-S221 WeakPolarHBondContact CA-O 3.45Å; H82-S221 WeakPolarHBondContact CD2-CB 3.42Å; I83-S221 PolarHBondContact N-O 2.8Å; C139-S221 PolarHBondContact SG-OG 3.2Å; S221-N280 PolarHBondContact N-ND2 2.97Å; S221-N280 PolarHBondContact OG-ND2 2.97Å
222	Y	98.9	Very high	98.5	Very high	5 Å²	5	7.8 Å²	7.8	2%	0.02	4%	0.043	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	136.2	-177.1	-178.4	-85.1	0	0	0	112.2	I83 A85 F138 C139 L208 E211 V212 A215 L220	I83-Y222 HydrophobicContact CB-CD2 3.8Å; I83-Y222 HydrophobicContact CB-CE2 4.46Å; I83-Y222 HydrophobicContact CG2-CD2 3.64Å; I83-Y222 HydrophobicContact CG2-CE2 3.8Å; I83-Y222 WeakPolarHBondContact O-CA 3.35Å; A85-Y222 HydrophobicContact CB-CE2 3.69Å; A85-Y222 WeakPolarHBondContact CB-OH 3.19Å; F138-Y222 AromaticContact CD1-CD1 3.78Å; F138-Y222 HydrophobicContact CD1-CD1 3.78Å; F138-Y222 AromaticContact CD1-CE1 3.99Å; F138-Y222 HydrophobicContact CD1-CE1 3.99Å; F138-Y222 HydrophobicContact CE1-CD1 4.07Å; F138-Y222 AromaticContact CE1-CE1 3.78Å; F138-Y222 HydrophobicContact CE1-CE1 3.78Å; C139-Y222 PolarHBondContact N-O 3.27Å; L208-Y222 HydrophobicContact CD1-CE1 4.09Å; E211-Y222 HydrophobicContact CG-CE2 3.88Å; E211-Y222 PolarHBondContact OE1-OH 2.78Å; E211-Y222 VanDerWaalsContact OE1-OH 3.06Å; V212-Y222 HydrophobicContact CB-CD1 3.96Å; V212-Y222 HydrophobicContact CB-CE1 3.7Å; V212-Y222 HydrophobicContact CG2-CD1 3.68Å; V212-Y222 HydrophobicContact CG2-CE1 3.85Å; A215-Y222 HydrophobicContact CB-CD2 3.56Å; A215-Y222 HydrophobicContact CB-CG 3.82Å; L220-Y222 PolarHBondContact O-N 2.84Å
223	A	98.9	Very high	98.5	Very high	0 Å²	0	8.2 Å²	8.2	0%	0	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	146.8	167.5	0	0	0	0	0	110.7	I83 L84 A85 T142 R143 L146	I83-A223 PolarHBondContact O-N 3.15Å; I83-A223 VanDerWaalsContact O-N 3.08Å; L84-A223 HydrophobicContact CD2-CB 4.37Å; A85-A223 PolarHBondContact N-O 2.89Å; T142-A223 HydrophobicContact CG2-CB 3.68Å; R143-A223 HydrophobicContact CG-CB 4.21Å; L146-A223 HydrophobicContact CD1-CB 3.64Å
224	S	98.7	Very high	98.4	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.9	178.2	171.9	0	0	0	0	110.2	A85 N87 L104	A85-S224 WeakPolarHBondContact O-CA 3.43Å; N87-S224 PolarHBondContact OD1-OG 2.89Å; L104-S224 PolarHBondContact N-O 3.4Å
225	I	98.5	Very high	98.3	Very high	0 Å²	0	11 Å²	11	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	112.4	163.8	-175.7	168.7	0	0	0	108.4	A85 T86 N87 F101 V102 L146 V257 I260 L261	A85-I225 PolarHBondContact O-N 2.94Å; T86-I225 WeakPolarHBondContact CA-O 3.31Å; T86-I225 HydrophobicContact CG2-CG2 3.99Å; N87-I225 PolarHBondContact N-O 3.46Å; F101-I225 HydrophobicContact CB-CD1 4.05Å; F101-I225 HydrophobicContact CB-CG1 4.03Å; F101-I225 HydrophobicContact CG-CD1 4.36Å; V102-I225 WeakPolarHBondContact O-CA 3.35Å; L146-I225 HydrophobicContact CD1-CB 4.39Å; I225-V257 HydrophobicContact CG2-CG1 4.21Å; I225-I260 HydrophobicContact CD1-CB 4.47Å; I225-I260 HydrophobicContact CD1-CD1 3.71Å; I225-I260 HydrophobicContact CD1-CG2 3.99Å; I225-L261 HydrophobicContact CG2-CD2 4.38Å
226	A	98.3	Very high	98.1	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	147.9	175.7	0	0	0	0	0	110.3	N87 F101 V102 L104 I203	N87-A226 CarbonylContact O-C 3.51Å; N87-A226 WeakPolarHBondContact O-CA 3.27Å; F101-A226 CarbonylContact C-O 3.58Å; F101-A226 WeakPolarHBondContact CA-O 3.26Å; V102-A226 HydrophobicContact CB-CB 4.22Å; V102-A226 PolarHBondContact N-O 2.87Å; V102-A226 PolarHBondContact O-N 3.1Å; L104-A226 HydrophobicContact CD1-CB 4.23Å; L104-A226 HydrophobicContact CG-CB 4.32Å; I203-A226 HydrophobicContact CD1-CB 3.46Å; I203-A226 VanDerWaalsContact CD1-CB 3.46Å
227	I	97.9	Very high	97.8	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	113.9	179.5	-57.7	158.3	0	0	0	106.8	N87 C89 F101 T229 F250 V257	N87-I227 PolarHBondContact O-N 3.46Å; C89-I227 PolarHBondContact N-O 3.36Å; C89-I227 VanDerWaalsContact SG-C 3.52Å; C89-I227 PolarHBondContact SG-O 3.36Å; F101-I227 HydrophobicContact CD1-CB 4.49Å; F101-I227 HydrophobicContact CD1-CG1 4.05Å; F101-I227 HydrophobicContact CD1-CG2 4.44Å; F101-I227 HydrophobicContact CE1-CG1 4.3Å; F101-I227 HydrophobicContact CE1-CG2 4.26Å; I227-T229 HydrophobicContact CG2-CG2 4.27Å; I227-T229 PolarHBondContact O-N 2.88Å; I227-F250 HydrophobicContact CB-CE2 4.47Å; I227-F250 HydrophobicContact CD1-CD2 4.14Å; I227-F250 HydrophobicContact CD1-CE2 3.29Å; I227-F250 HydrophobicContact CD1-CZ 3.5Å; I227-F250 VanDerWaalsContact CD1-CZ 3.5Å; I227-F250 HydrophobicContact CG1-CE2 4.47Å; I227-F250 HydrophobicContact CG2-CD2 4.47Å; I227-V257 HydrophobicContact CD1-CB 4.41Å; I227-V257 HydrophobicContact CD1-CG1 4.28Å; I227-V257 HydrophobicContact CD1-CG2 3.64Å; I227-V257 HydrophobicContact CG1-CG2 3.63Å
228	V	98.1	Very high	97.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	116.5	179.5	-175.6	0	0	0	0	108.2	C89 V97 P98 G99 D100 V102	C89-V228 WeakPolarHBondContact O-CA 3.46Å; V97-V228 WeakPolarHBondContact O-CB 3.46Å; V97-V228 WeakPolarHBondContact O-CG1 3.43Å; P98-V228 WeakPolarHBondContact CA-O 3.25Å; G99-V228 PolarHBondContact N-O 3.03Å; D100-V228 HydrophobicContact CB-CB 4.44Å; D100-V228 HydrophobicContact CB-CG2 4.22Å; D100-V228 PolarHBondContact O-N 3.3Å; V102-V228 HydrophobicContact CG2-CG2 4.17Å
229	T	97	Very high	97.1	Very high	6 Å²	6	27.8 Å²	27.8	4%	0.037	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	-21.5	-175.8	48	0	0	0	0	114.2	A88 C89 I227 V246 Q249 F250	A88-T229 HydrophobicContact CB-CG2 4.25Å; C89-T229 PolarHBondContact O-N 2.72Å; C89-T229 PolarHBondContact O-OG1 3.32Å; I227-T229 HydrophobicContact CG2-CG2 4.27Å; I227-T229 PolarHBondContact O-N 2.88Å; T229-V246 HydrophobicContact CG2-CG1 4.22Å; T229-Q249 HydrophobicContact CG2-CB 4.33Å; T229-Q249 HydrophobicContact CG2-CG 4.49Å; T229-Q249 WeakPolarHBondContact O-CB 3.44Å; T229-F250 HydrophobicContact CG2-CB 4.31Å; T229-F250 HydrophobicContact CG2-CD2 4.32Å
230	D	97.8	Very high	97	Very high	11 Å²	11	30.5 Å²	30.5	6%	0.059	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.7	178.2	-171.3	56.1	88	0	0	0	109.6	G90 S91 D232 V241	G90-D230 WeakPolarHBondContact CA-OD1 3.32Å; S91-D230 PolarHBondContact N-O 3.27Å; D230-D232 VanDerWaalsContact OD1-CA 3.32Å; D230-D232 WeakPolarHBondContact OD1-CA 3.43Å; D230-D232 PolarHBondContact OD1-N 2.88Å; D230-V241 HydrophobicContact CB-CB 4.17Å; D230-V241 HydrophobicContact CB-CG2 4.07Å; D230-V241 WeakPolarHBondContact OD1-CB 3.13Å; D230-V241 WeakPolarHBondContact OD1-CG2 3.44Å; D230-V241 WeakPolarHBondContact OD2-CG2 3.44Å
231	F	98.2	Very high	96.7	Very high	19 Å²	19	30.6 Å²	30.6	8%	0.083	15%	0.149	C	C	.	.			trans	-105.4	32.3	175.3	-72.6	-72.2	0	0	0	112.4	S91 L96 V97 P98 C233 W234 K235 E239	S91-F231 CarbonylContact O-C 3.54Å; S91-F231 WeakPolarHBondContact O-CA 3.43Å; L96-F231 WeakPolarHBondContact O-CE1 3.44Å; V97-F231 HydrophobicContact CB-CZ 3.94Å; V97-F231 HydrophobicContact CG1-CE1 4.42Å; V97-F231 HydrophobicContact CG1-CZ 3.95Å; P98-F231 HydrophobicContact CG-CD2 3.95Å; P98-F231 HydrophobicContact CG-CE2 3.83Å; P98-F231 HydrophobicContact CG-CZ 4.37Å; F231-C233 PolarHBondContact O-N 2.98Å; F231-C233 VanDerWaalsContact O-N 3.08Å; F231-W234 AromaticContact CD1-CZ2 3.88Å; F231-W234 HydrophobicContact CD1-CZ2 3.88Å; F231-W234 HydrophobicContact CE1-CZ2 4.47Å; F231-W234 PolarHBondContact O-NE1 3.1Å; F231-W234 VanDerWaalsContact O-NE1 3.08Å; F231-K235 HydrophobicContact CB-CD 3.6Å; F231-K235 HydrophobicContact CB-CG 4.2Å; F231-K235 HydrophobicContact CD1-CD 3.84Å; F231-K235 HydrophobicContact CD2-CD 3.65Å; F231-K235 HydrophobicContact CE1-CD 4.34Å; F231-K235 HydrophobicContact CE2-CD 4.19Å; F231-K235 VanDerWaalsContact CE2-NZ 3.33Å; F231-K235 HydrophobicContact CG-CD 3.44Å; F231-K235 VanDerWaalsContact CG-CD 3.44Å; F231-E239 VanDerWaalsContact CD2-OE1 3.32Å; F231-E239 WeakPolarHBondContact CD2-OE1 3.28Å
232	D	98.2	Very high	96.3	Very high	2 Å²	2	33 Å²	33	1%	0.011	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.8	-113.5	-173	-171.5	45.3	0	0	0	110.8	L92 S193 V204 D230 V241	L92-D232 HydrophobicContact CD2-CB 4.21Å; S193-D232 WeakPolarHBondContact CB-OD2 3.35Å; S193-D232 PolarHBondContact OG-OD2 3.3Å; V204-D232 HydrophobicContact CG1-CB 3.86Å; D230-D232 VanDerWaalsContact OD1-CA 3.32Å; D230-D232 WeakPolarHBondContact OD1-CA 3.43Å; D230-D232 PolarHBondContact OD1-N 2.88Å; D232-V241 WeakPolarHBondContact O-CB 3.45Å; D232-V241 WeakPolarHBondContact O-CG1 3.45Å; D232-V241 PolarHBondContact O-N 3.43Å
233	C	97.7	Very high	95.8	Very high	9 Å²	9	37.1 Å²	37.1	6%	0.061	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-145	23.4	177.2	58.9	0	0	0	0	114.3	S188 T189 R190 F231 H240	S188-C233 PolarHBondContact O-SG 2.8Å; T189-C233 VanDerWaalsContact C-SG 3.52Å; R190-C233 VanDerWaalsContact CA-SG 3.58Å; R190-C233 WeakPolarHBondContact CG-O 3.42Å; R190-C233 PolarHBondContact N-SG 3.34Å; F231-C233 PolarHBondContact O-N 2.98Å; F231-C233 VanDerWaalsContact O-N 3.08Å; C233-H240 HydrophobicContact CB-CB 4.46Å; C233-H240 PolarHBondContact O-NE2 2.68Å
234	W	98.1	Very high	95.4	Very high	22 Å²	22	43 Å²	43	8%	0.083	22%	0.222	C	C	.	.	S	Bend	trans	-86.1	-11.9	179	63.9	-87.2	0	0	0	113.7	S91 E94 F194 K197 F231	S91-W234 PolarHBondContact O-NE1 3.44Å; E94-W234 HydrophobicContact CB-CH2 4.49Å; E94-W234 HydrophobicContact CG-CH2 3.57Å; E94-W234 HydrophobicContact CG-CZ3 4.16Å; F194-W234 HydrophobicContact CE1-CB 4.27Å; F194-W234 HydrophobicContact CE2-CB 4.14Å; F194-W234 HydrophobicContact CZ-CB 4.02Å; F194-W234 VanDerWaalsContact CZ-O 3.24Å; F194-W234 WeakPolarHBondContact CZ-O 3.47Å; K197-W234 HydrophobicContact CD-CD2 4.08Å; K197-W234 HydrophobicContact CD-CE3 4.11Å; K197-W234 HydrophobicContact CD-CG 4.33Å; F231-W234 AromaticContact CD1-CZ2 3.88Å; F231-W234 HydrophobicContact CD1-CZ2 3.88Å; F231-W234 HydrophobicContact CE1-CZ2 4.47Å; F231-W234 PolarHBondContact O-NE1 3.1Å; F231-W234 VanDerWaalsContact O-NE1 3.08Å
235	K	96.5	Very high	95	Very high	61 Å²	61	45.7 Å²	45.7	27%	0.265	24%	0.235	S	C	.	.	S	Bend	trans	-96.4	-158.8	177.5	-68.5	-177.2	103.3	-160.1	0	112.5	F231 E239 H240	F231-K235 HydrophobicContact CB-CD 3.6Å; F231-K235 HydrophobicContact CB-CG 4.2Å; F231-K235 HydrophobicContact CD1-CD 3.84Å; F231-K235 HydrophobicContact CD2-CD 3.65Å; F231-K235 HydrophobicContact CE1-CD 4.34Å; F231-K235 HydrophobicContact CE2-CD 4.19Å; F231-K235 VanDerWaalsContact CE2-NZ 3.33Å; F231-K235 HydrophobicContact CG-CD 3.44Å; F231-K235 VanDerWaalsContact CG-CD 3.44Å; K235-E239 HydrophobicContact CB-CB 4.03Å; K235-E239 WeakPolarHBondContact CB-OE2 3.33Å; K235-E239 IonicContact NZ-OE1 3.86Å; K235-E239 PolarHBondContact NZ-OE1 3.36Å; K235-E239 IonicContact NZ-OE2 3.18Å; K235-H240 PolarHBondContact O-NE2 2.98Å
236	S	94.9	Very high	94.6	Very high	52 Å²	52	46.6 Å²	46.6	36%	0.364	24%	0.241	S	C	.	.			trans	-67	163.1	-179.1	78.9	0	0	0	0	111.7	E238 E239 H240	S236-E238 VanDerWaalsContact CB-OE2 3.27Å; S236-E238 WeakPolarHBondContact CB-OE2 3.49Å; S236-E238 PolarHBondContact O-N 3.45Å; S236-E238 PolarHBondContact OG-OE2 2.88Å; S236-E239 PolarHBondContact O-N 2.68Å; S236-H240 PolarHBondContact O-CD2 3.03Å; S236-H240 PolarHBondContact O-N 3.32Å; S236-H240 PolarHBondContact O-NE2 2.97Å
237	E	91.8	Very high	94.1	Very high	163 Å²	163	49.6 Å²	49.6	76%	0.762	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-60.4	-32.5	-177.3	-65.8	-174.3	170.5	0	0	112.4	E239 H240	E237-E239 PolarHBondContact O-N 2.9Å; E237-H240 WeakPolarHBondContact O-CB 3.46Å; E237-H240 PolarHBondContact O-N 3.23Å
238	E	90	Very high	93.8	Very high	151 Å²	151	54.5 Å²	54.5	71%	0.706	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-67.2	-19.9	175.9	-57.4	81.5	-177.8	0	0	113.1	S236	S236-E238 VanDerWaalsContact CB-OE2 3.27Å; S236-E238 WeakPolarHBondContact CB-OE2 3.49Å; S236-E238 PolarHBondContact O-N 3.45Å; S236-E238 PolarHBondContact OG-OE2 2.88Å
239	E	93.9	Very high	93.6	Very high	61 Å²	61	56.2 Å²	56.2	29%	0.285	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-100.8	3.9	178.9	-63.5	-179.6	95.7	0	0	112.3	F231 K235 S236 E237 V241	F231-E239 VanDerWaalsContact CD2-OE1 3.32Å; F231-E239 WeakPolarHBondContact CD2-OE1 3.28Å; K235-E239 HydrophobicContact CB-CB 4.03Å; K235-E239 WeakPolarHBondContact CB-OE2 3.33Å; K235-E239 IonicContact NZ-OE1 3.86Å; K235-E239 PolarHBondContact NZ-OE1 3.36Å; K235-E239 IonicContact NZ-OE2 3.18Å; S236-E239 PolarHBondContact O-N 2.68Å; E237-E239 PolarHBondContact O-N 2.9Å; E239-V241 PolarHBondContact O-N 3.4Å
240	H	94.9	Very high	93.2	Very high	64 Å²	64	56.1 Å²	56.1	30%	0.296	29%	0.287	S	S	.	.	S	Bend	trans	-73	118.1	179.7	-74.7	-176.1	0	0	0	112.1	C233 K235 S236 E237 C242 M245	C233-H240 HydrophobicContact CB-CB 4.46Å; C233-H240 PolarHBondContact O-NE2 2.68Å; K235-H240 PolarHBondContact O-NE2 2.98Å; S236-H240 PolarHBondContact O-CD2 3.03Å; S236-H240 PolarHBondContact O-N 3.32Å; S236-H240 PolarHBondContact O-NE2 2.97Å; E237-H240 WeakPolarHBondContact O-CB 3.46Å; E237-H240 PolarHBondContact O-N 3.23Å; H240-C242 PolarHBondContact O-N 2.78Å; H240-M245 WeakPolarHBondContact O-CE 3.19Å
241	V	93.8	Very high	92.8	Very high	17 Å²	17	64.1 Å²	64.1	10%	0.103	32%	0.316	C	S	.	.			trans	-44.8	131.6	-176.9	65.6	0	0	0	0	113.8	F187 D230 D232 E239 V246	F187-V241 HydrophobicContact CB-CG1 3.81Å; F187-V241 HydrophobicContact CD1-CG1 3.73Å; F187-V241 HydrophobicContact CD1-CG2 3.92Å; F187-V241 HydrophobicContact CD2-CG1 4.1Å; F187-V241 HydrophobicContact CE1-CG1 4.31Å; F187-V241 HydrophobicContact CE1-CG2 3.64Å; F187-V241 HydrophobicContact CE2-CG2 4.32Å; F187-V241 HydrophobicContact CG-CG1 3.61Å; F187-V241 HydrophobicContact CG-CG2 4.39Å; F187-V241 HydrophobicContact CZ-CG2 3.86Å; D230-V241 HydrophobicContact CB-CB 4.17Å; D230-V241 HydrophobicContact CB-CG2 4.07Å; D230-V241 WeakPolarHBondContact OD1-CB 3.13Å; D230-V241 WeakPolarHBondContact OD1-CG2 3.44Å; D230-V241 WeakPolarHBondContact OD2-CG2 3.44Å; D232-V241 WeakPolarHBondContact O-CB 3.45Å; D232-V241 WeakPolarHBondContact O-CG1 3.45Å; D232-V241 PolarHBondContact O-N 3.43Å; E239-V241 PolarHBondContact O-N 3.4Å; V241-V246 HydrophobicContact CG2-CG2 3.74Å
242	C	89.8	Confident	92.4	Very high	51 Å²	51	68.8 Å²	68.8	35%	0.345	34%	0.336	S	S	.	.			trans	-141	164.3	167.6	75.1	0	0	0	0	109.3	H240 D244 M245 V246	H240-C242 PolarHBondContact O-N 2.78Å; C242-D244 PolarHBondContact O-N 2.77Å; C242-M245 PolarHBondContact O-N 2.86Å; C242-V246 WeakPolarHBondContact O-CG2 3.48Å; C242-V246 PolarHBondContact O-N 3.4Å; C242-V246 VanDerWaalsContact O-N 3.16Å
243	V	89.3	Confident	92.2	Very high	90 Å²	90	68.9 Å²	68.9	55%	0.545	34%	0.337	S	S	.	.	H	α-helix	trans	-57.7	-38.3	-177.1	176.9	0	0	0	0	111.7	F187 V246 L247	F187-V243 HydrophobicContact CE2-CG2 4.35Å; V243-V246 PolarHBondContact O-N 2.97Å; V243-L247 HydrophobicContact CG1-CD1 3.89Å; V243-L247 HydrophobicContact CG1-CG 4.25Å; V243-L247 WeakPolarHBondContact O-CG 3.45Å; V243-L247 PolarHBondContact O-N 3.1Å
244	D	91	Very high	91.8	Very high	123 Å²	123	69.2 Å²	69.2	66%	0.658	34%	0.339	S	S	*	.	H	α-helix	trans	-66	-43.6	-178.1	-67.1	-23.7	0	0	0	112.2	C242 V246 L247 E248	C242-D244 PolarHBondContact O-N 2.77Å; D244-V246 VanDerWaalsContact C-N 3.33Å; D244-V246 PolarHBondContact O-N 3.37Å; D244-L247 PolarHBondContact O-N 3.2Å; D244-E248 WeakPolarHBondContact O-CB 3.42Å; D244-E248 PolarHBondContact O-N 3.06Å
245	M	90.3	Very high	91.5	Very high	57 Å²	57	72 Å²	72	28%	0.281	36%	0.359	S	S	.	.	H	α-helix	trans	-61.8	-42.7	175.4	-75.6	-161.6	-69	0	0	111.8	H240 C242 L247 E248 Q249	H240-M245 WeakPolarHBondContact O-CE 3.19Å; C242-M245 PolarHBondContact O-N 2.86Å; M245-L247 PolarHBondContact O-N 3.38Å; M245-E248 PolarHBondContact O-N 2.83Å; M245-Q249 PolarHBondContact O-N 3.46Å
246	V	88.6	Confident	91.4	Very high	20 Å²	20	72.5 Å²	72.5	12%	0.121	36%	0.361	C	S	.	.	H	α-helix	trans	-58.4	-50.6	176.2	176.1	0	0	0	0	110.4	A88 F187 T229 V241 C242 V243 D244 F250	A88-V246 HydrophobicContact CB-CG1 4.34Å; F187-V246 HydrophobicContact CZ-CG2 4.48Å; T229-V246 HydrophobicContact CG2-CG1 4.22Å; V241-V246 HydrophobicContact CG2-CG2 3.74Å; C242-V246 WeakPolarHBondContact O-CG2 3.48Å; C242-V246 PolarHBondContact O-N 3.4Å; C242-V246 VanDerWaalsContact O-N 3.16Å; V243-V246 PolarHBondContact O-N 2.97Å; D244-V246 VanDerWaalsContact C-N 3.33Å; D244-V246 PolarHBondContact O-N 3.37Å; V246-F250 WeakPolarHBondContact O-CB 3.31Å; V246-F250 PolarHBondContact O-N 3.37Å
247	L	88.8	Confident	91.4	Very high	63 Å²	63	70 Å²	70	33%	0.33	34%	0.344	S	S	.	.	H	α-helix	trans	-65.9	-39.5	-178.1	-70.1	176.5	0	0	0	112.8	V243 D244 M245 R251	V243-L247 HydrophobicContact CG1-CD1 3.89Å; V243-L247 HydrophobicContact CG1-CG 4.25Å; V243-L247 WeakPolarHBondContact O-CG 3.45Å; V243-L247 PolarHBondContact O-N 3.1Å; D244-L247 PolarHBondContact O-N 3.2Å; M245-L247 PolarHBondContact O-N 3.38Å; L247-R251 VanDerWaalsContact O-CG 3.29Å; L247-R251 WeakPolarHBondContact O-CG 3.48Å; L247-R251 PolarHBondContact O-N 3.32Å; L247-R251 VanDerWaalsContact O-N 3.11Å
248	E	92.2	Very high	91.5	Very high	103 Å²	103	66 Å²	66	48%	0.481	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-52.4	179.2	-172.8	-174.9	158.1	0	0	111.3	D244 M245 F250 R251 K252	D244-E248 WeakPolarHBondContact O-CB 3.42Å; D244-E248 PolarHBondContact O-N 3.06Å; M245-E248 PolarHBondContact O-N 2.83Å; E248-F250 VanDerWaalsContact C-N 3.3Å; E248-F250 PolarHBondContact O-N 3.19Å; E248-R251 PolarHBondContact O-N 3.1Å; E248-K252 PolarHBondContact O-N 2.99Å; E248-K252 WeakPolarHBondContact OE1-CE 3.43Å; E248-K252 IonicContact OE1-NZ 3.46Å; E248-K252 PolarHBondContact OE1-NZ 3.43Å
249	Q	92.8	Very high	91.7	Very high	35 Å²	35	61.8 Å²	61.8	16%	0.164	30%	0.302	C	S	.	.	H	α-helix	trans	-65	-39	-179.7	-172.7	55.6	48.8	0	0	111	P98 G99 T229 M245 R251 K252 S253	P98-Q249 HydrophobicContact CB-CG 4.05Å; G99-Q249 VanDerWaalsContact CA-NE2 3.3Å; T229-Q249 HydrophobicContact CG2-CB 4.33Å; T229-Q249 HydrophobicContact CG2-CG 4.49Å; T229-Q249 WeakPolarHBondContact O-CB 3.44Å; M245-Q249 PolarHBondContact O-N 3.46Å; Q249-R251 VanDerWaalsContact C-N 3.34Å; Q249-R251 PolarHBondContact O-N 3.05Å; Q249-K252 WeakPolarHBondContact O-CB 3.49Å; Q249-K252 PolarHBondContact O-N 3.25Å; Q249-K252 VanDerWaalsContact O-N 3.13Å; Q249-S253 PolarHBondContact NE2-OG 3.33Å; Q249-S253 PolarHBondContact O-N 2.91Å; Q249-S253 PolarHBondContact O-OG 3.47Å
250	F	89	Confident	91.9	Very high	5 Å²	5	58.9 Å²	58.9	2%	0.022	29%	0.289	C	S	.	.	H	α-helix	trans	-58.2	-44.5	177.2	-163	-77.9	0	0	0	112.4	S12 F14 A88 I227 T229 V246 E248 K252 S253 V254	S12-F250 WeakPolarHBondContact O-CE1 3.39Å; S12-F250 VanDerWaalsContact O-CE2 3.24Å; S12-F250 WeakPolarHBondContact O-CE2 3.49Å; S12-F250 WeakPolarHBondContact O-CZ 3.48Å; F14-F250 HydrophobicContact CD2-CE1 4.06Å; F14-F250 AromaticContact CD2-CZ 3.72Å; F14-F250 HydrophobicContact CD2-CZ 3.72Å; F14-F250 HydrophobicContact CE2-CE1 4.09Å; F14-F250 AromaticContact CE2-CZ 3.72Å; F14-F250 HydrophobicContact CE2-CZ 3.72Å; A88-F250 HydrophobicContact CB-CD2 3.97Å; A88-F250 HydrophobicContact CB-CE2 4.13Å; I227-F250 HydrophobicContact CB-CE2 4.47Å; I227-F250 HydrophobicContact CD1-CD2 4.14Å; I227-F250 HydrophobicContact CD1-CE2 3.29Å; I227-F250 HydrophobicContact CD1-CZ 3.5Å; I227-F250 VanDerWaalsContact CD1-CZ 3.5Å; I227-F250 HydrophobicContact CG1-CE2 4.47Å; I227-F250 HydrophobicContact CG2-CD2 4.47Å; T229-F250 HydrophobicContact CG2-CB 4.31Å; T229-F250 HydrophobicContact CG2-CD2 4.32Å; V246-F250 WeakPolarHBondContact O-CB 3.31Å; V246-F250 PolarHBondContact O-N 3.37Å; E248-F250 VanDerWaalsContact C-N 3.3Å; E248-F250 PolarHBondContact O-N 3.19Å; F250-K252 PolarHBondContact O-N 3.14Å; F250-S253 PolarHBondContact O-N 3.5Å; F250-V254 HydrophobicContact CD1-CB 4.2Å; F250-V254 HydrophobicContact CE1-CB 3.89Å; F250-V254 HydrophobicContact CE1-CG2 3.77Å; F250-V254 WeakPolarHBondContact O-CB 3.42Å; F250-V254 PolarHBondContact O-N 3.3Å
251	R	88.1	Confident	92	Very high	179 Å²	179	55.9 Å²	55.9	68%	0.675	28%	0.275	S	S	*	.	H	α-helix	trans	-60.2	-33.9	178.1	-75.1	172.6	-169.9	148.6	4.2	112.6	L247 E248 Q249 V254	L247-R251 VanDerWaalsContact O-CG 3.29Å; L247-R251 WeakPolarHBondContact O-CG 3.48Å; L247-R251 PolarHBondContact O-N 3.32Å; L247-R251 VanDerWaalsContact O-N 3.11Å; E248-R251 PolarHBondContact O-N 3.1Å; Q249-R251 VanDerWaalsContact C-N 3.34Å; Q249-R251 PolarHBondContact O-N 3.05Å; R251-V254 WeakPolarHBondContact O-CG1 3.12Å
252	K	91.4	Very high	92.2	Very high	116 Å²	116	57.7 Å²	57.7	50%	0.504	28%	0.284	S	S	.	.	H	α-helix	trans	-71.8	-42.8	176.4	-62.7	171.8	-172.3	167	0	110.8	E248 Q249 F250	E248-K252 PolarHBondContact O-N 2.99Å; E248-K252 WeakPolarHBondContact OE1-CE 3.43Å; E248-K252 IonicContact OE1-NZ 3.46Å; E248-K252 PolarHBondContact OE1-NZ 3.43Å; Q249-K252 WeakPolarHBondContact O-CB 3.49Å; Q249-K252 PolarHBondContact O-N 3.25Å; Q249-K252 VanDerWaalsContact O-N 3.13Å; F250-K252 PolarHBondContact O-N 3.14Å
253	S	93	Very high	92.6	Very high	4 Å²	4	57.8 Å²	57.8	3%	0.028	28%	0.279	C	S	.	.	H	α-helix	trans	-82.1	-22.5	-173.7	-67.1	0	0	0	0	114.8	Q249 F250 V255 H256 V257	Q249-S253 PolarHBondContact NE2-OG 3.33Å; Q249-S253 PolarHBondContact O-N 2.91Å; Q249-S253 PolarHBondContact O-OG 3.47Å; F250-S253 PolarHBondContact O-N 3.5Å; S253-V255 PolarHBondContact O-N 2.53Å; S253-V255 VanDerWaalsContact O-N 3.16Å; S253-H256 PolarHBondContact O-N 3.4Å; S253-V257 WeakPolarHBondContact O-CG2 3.24Å; S253-V257 PolarHBondContact O-N 3.05Å
254	V	90	Very high	93	Very high	16 Å²	16	53.5 Å²	53.5	10%	0.097	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-29.4	-174.4	74	0	0	0	0	113.4	F14 F250 R251 V257 R258	F14-V254 HydrophobicContact CD2-CG2 4.32Å; F14-V254 HydrophobicContact CE1-CG2 4.29Å; F14-V254 HydrophobicContact CE2-CG2 3.74Å; F14-V254 HydrophobicContact CZ-CG2 3.72Å; F250-V254 HydrophobicContact CD1-CB 4.2Å; F250-V254 HydrophobicContact CE1-CB 3.89Å; F250-V254 HydrophobicContact CE1-CG2 3.77Å; F250-V254 WeakPolarHBondContact O-CB 3.42Å; F250-V254 PolarHBondContact O-N 3.3Å; R251-V254 WeakPolarHBondContact O-CG1 3.12Å; V254-V257 PolarHBondContact O-N 3.12Å; V254-R258 HydrophobicContact CG2-CG 4.4Å; V254-R258 VanDerWaalsContact O-CG 3.24Å; V254-R258 WeakPolarHBondContact O-CG 3.32Å; V254-R258 PolarHBondContact O-N 3.28Å
255	V	91.2	Very high	93.3	Very high	82 Å²	82	47.6 Å²	47.6	50%	0.497	22%	0.222	S	C	.	.	H	α-helix	trans	-62.4	-51.8	179.3	178.5	0	0	0	0	110.2	S253 V257 R258 E259	S253-V255 PolarHBondContact O-N 2.53Å; S253-V255 VanDerWaalsContact O-N 3.16Å; V255-V257 VanDerWaalsContact C-N 3.33Å; V255-V257 PolarHBondContact O-N 2.9Å; V255-R258 WeakPolarHBondContact O-CB 2.9Å; V255-R258 PolarHBondContact O-N 3.25Å; V255-E259 WeakPolarHBondContact O-CG 3.39Å; V255-E259 PolarHBondContact O-N 3.4Å; V255-E259 VanDerWaalsContact O-N 3.07Å
256	H	95	Very high	93.7	Very high	70 Å²	70	47 Å²	47	32%	0.324	23%	0.226	S	C	.	.	H	α-helix	trans	-63.8	-37.2	178.2	-66.9	-41	0	0	0	112.7	F101 I155 S253 R258 E259 I260	F101-H256 HydrophobicContact CE2-CB 4.02Å; F101-H256 HydrophobicContact CZ-CB 3.67Å; I155-H256 HydrophobicContact CD1-CB 3.94Å; S253-H256 PolarHBondContact O-N 3.4Å; H256-R258 PolarHBondContact O-N 3.27Å; H256-E259 IonicContact ND1-OE2 3.63Å; H256-E259 PolarHBondContact ND1-OE2 3.06Å; H256-E259 WeakPolarHBondContact O-CB 2.69Å; H256-E259 PolarHBondContact O-N 2.85Å; H256-I260 VanDerWaalsContact O-CG1 3.3Å; H256-I260 WeakPolarHBondContact O-CG1 3.22Å; H256-I260 PolarHBondContact O-N 3.11Å
257	V	94.7	Very high	94.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.2	-40.5	177.3	-179.8	0	0	0	0	111	F14 T86 F101 I225 I227 S253 V254 V255 E259 I260 L261	F14-V257 HydrophobicContact CE2-CG1 4.08Å; F14-V257 HydrophobicContact CZ-CB 4.16Å; F14-V257 HydrophobicContact CZ-CG1 3.72Å; T86-V257 HydrophobicContact CG2-CG1 3.61Å; F101-V257 HydrophobicContact CD1-CG2 3.72Å; F101-V257 HydrophobicContact CE1-CG2 3.31Å; F101-V257 HydrophobicContact CZ-CG2 4.19Å; I225-V257 HydrophobicContact CG2-CG1 4.21Å; I227-V257 HydrophobicContact CD1-CB 4.41Å; I227-V257 HydrophobicContact CD1-CG1 4.28Å; I227-V257 HydrophobicContact CD1-CG2 3.64Å; I227-V257 HydrophobicContact CG1-CG2 3.63Å; S253-V257 WeakPolarHBondContact O-CG2 3.24Å; S253-V257 PolarHBondContact O-N 3.05Å; V254-V257 PolarHBondContact O-N 3.12Å; V255-V257 VanDerWaalsContact C-N 3.33Å; V255-V257 PolarHBondContact O-N 2.9Å; V257-E259 VanDerWaalsContact C-N 3.32Å; V257-E259 PolarHBondContact O-N 3.35Å; V257-I260 PolarHBondContact O-N 2.78Å; V257-L261 HydrophobicContact CG1-CD1 4.01Å; V257-L261 HydrophobicContact CG1-CG 4.24Å; V257-L261 WeakPolarHBondContact O-CB 3.45Å; V257-L261 VanDerWaalsContact O-CG 3.25Å; V257-L261 WeakPolarHBondContact O-CG 3.24Å; V257-L261 PolarHBondContact O-N 3.3Å
258	R	93.6	Very high	94.6	Very high	78 Å²	78	44.8 Å²	44.8	29%	0.294	21%	0.213	S	C	.	.	H	α-helix	trans	-60.6	-44	174.5	-73.3	173.4	-179.9	-173.5	2.4	111.1	F14 L19 V254 V255 H256 L261 L262	F14-R258 HydrophobicContact CE1-CG 3.79Å; F14-R258 HydrophobicContact CZ-CG 4.09Å; L19-R258 HydrophobicContact CD2-CB 4.14Å; L19-R258 HydrophobicContact CD2-CG 3.79Å; V254-R258 HydrophobicContact CG2-CG 4.4Å; V254-R258 VanDerWaalsContact O-CG 3.24Å; V254-R258 WeakPolarHBondContact O-CG 3.32Å; V254-R258 PolarHBondContact O-N 3.28Å; V255-R258 WeakPolarHBondContact O-CB 2.9Å; V255-R258 PolarHBondContact O-N 3.25Å; H256-R258 PolarHBondContact O-N 3.27Å; R258-L261 PolarHBondContact O-N 3.43Å; R258-L262 WeakPolarHBondContact O-CB 3.38Å; R258-L262 VanDerWaalsContact O-CG 3.27Å; R258-L262 WeakPolarHBondContact O-CG 3.36Å; R258-L262 PolarHBondContact O-N 3.04Å
259	E	95.3	Very high	94.9	Very high	64 Å²	64	41.3 Å²	41.3	30%	0.299	21%	0.205	S	C	.	.	H	α-helix	trans	-58.3	-48.7	175.9	-73.8	-179.2	132.8	0	0	112.2	K153 V255 H256 V257 E263	K153-E259 HydrophobicContact CD-CB 4.39Å; K153-E259 HydrophobicContact CG-CB 4.19Å; K153-E259 IonicContact NZ-OE1 2.71Å; V255-E259 WeakPolarHBondContact O-CG 3.39Å; V255-E259 PolarHBondContact O-N 3.4Å; V255-E259 VanDerWaalsContact O-N 3.07Å; H256-E259 IonicContact ND1-OE2 3.63Å; H256-E259 PolarHBondContact ND1-OE2 3.06Å; H256-E259 WeakPolarHBondContact O-CB 2.69Å; H256-E259 PolarHBondContact O-N 2.85Å; V257-E259 VanDerWaalsContact C-N 3.32Å; V257-E259 PolarHBondContact O-N 3.35Å; E259-E263 WeakPolarHBondContact O-CB 3.43Å; E259-E263 PolarHBondContact O-N 3.38Å; E259-E263 VanDerWaalsContact O-N 3.1Å
260	I	97.7	Very high	95.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-61.1	-46.7	177.3	-67.4	167.4	0	0	0	110.8	L146 A149 A150 I155 V173 I225 H256 V257 E263 A264	L146-I260 HydrophobicContact CD2-CG2 3.98Å; A149-I260 HydrophobicContact CB-CG2 4.09Å; A149-I260 WeakPolarHBondContact CB-O 3.46Å; A150-I260 HydrophobicContact CB-CD1 4.1Å; A150-I260 HydrophobicContact CB-CG1 4.19Å; I155-I260 HydrophobicContact CD1-CD1 3.72Å; I155-I260 HydrophobicContact CD1-CG1 3.69Å; V173-I260 HydrophobicContact CG2-CD1 4.02Å; I225-I260 HydrophobicContact CD1-CB 4.47Å; I225-I260 HydrophobicContact CD1-CD1 3.71Å; I225-I260 HydrophobicContact CD1-CG2 3.99Å; H256-I260 VanDerWaalsContact O-CG1 3.3Å; H256-I260 WeakPolarHBondContact O-CG1 3.22Å; H256-I260 PolarHBondContact O-N 3.11Å; V257-I260 PolarHBondContact O-N 2.78Å; I260-E263 PolarHBondContact O-N 2.77Å; I260-A264 WeakPolarHBondContact O-CB 3.47Å; I260-A264 PolarHBondContact O-N 3.16Å
261	L	97.3	Very high	95.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.2	-43.9	-178.1	-72.3	175.3	0	0	0	112.2	I8 F14 L84 T86 L146 I225 V257 R258 A264 V265	I8-L261 HydrophobicContact CG2-CD1 4.17Å; F14-L261 HydrophobicContact CE1-CD1 4.15Å; F14-L261 HydrophobicContact CZ-CD1 4.19Å; L84-L261 HydrophobicContact CB-CD2 3.79Å; L84-L261 HydrophobicContact CD1-CD2 4.03Å; T86-L261 HydrophobicContact CG2-CD1 3.74Å; L146-L261 HydrophobicContact CD2-CD2 4.32Å; I225-L261 HydrophobicContact CG2-CD2 4.38Å; V257-L261 HydrophobicContact CG1-CD1 4.01Å; V257-L261 HydrophobicContact CG1-CG 4.24Å; V257-L261 WeakPolarHBondContact O-CB 3.45Å; V257-L261 VanDerWaalsContact O-CG 3.25Å; V257-L261 WeakPolarHBondContact O-CG 3.24Å; V257-L261 PolarHBondContact O-N 3.3Å; R258-L261 PolarHBondContact O-N 3.43Å; L261-A264 PolarHBondContact O-N 3.01Å; L261-V265 VanDerWaalsContact O-CG2 3.26Å; L261-V265 WeakPolarHBondContact O-CG2 3.38Å; L261-V265 PolarHBondContact O-N 2.83Å
262	L	96.4	Very high	95.9	Very high	55 Å²	55	42.3 Å²	42.3	29%	0.288	23%	0.233	S	C	.	.	H	α-helix	trans	-64.4	-43.5	179.2	-70.2	174.3	0	0	0	111.5	L19 V44 R258 V265 A266	L19-L262 HydrophobicContact CB-CD2 4.22Å; L19-L262 HydrophobicContact CD2-CD2 4.43Å; L19-L262 HydrophobicContact CD2-CG 4.45Å; L19-L262 WeakPolarHBondContact O-CD2 3.44Å; V44-L262 HydrophobicContact CG1-CD2 4.05Å; V44-L262 HydrophobicContact CG2-CD2 3.66Å; R258-L262 WeakPolarHBondContact O-CB 3.38Å; R258-L262 VanDerWaalsContact O-CG 3.27Å; R258-L262 WeakPolarHBondContact O-CG 3.36Å; R258-L262 PolarHBondContact O-N 3.04Å; L262-V265 PolarHBondContact O-N 3.43Å; L262-A266 PolarHBondContact O-N 3.22Å
263	E	98.2	Very high	96.3	Very high	53 Å²	53	36.8 Å²	36.8	25%	0.248	21%	0.209	C	C	.	.	H	α-helix	trans	-64.7	-42.8	175.4	-180	63.4	-167.4	0	0	111.4	A149 N152 K153 E259 I260 V265 A266 L267	A149-E263 HydrophobicContact CB-CB 3.9Å; A149-E263 HydrophobicContact CB-CG 3.73Å; N152-E263 HydrophobicContact CB-CG 3.96Å; N152-E263 PolarHBondContact ND2-OE1 3.36Å; K153-E263 HydrophobicContact CD-CB 4.33Å; K153-E263 HydrophobicContact CG-CB 4.14Å; K153-E263 HydrophobicContact CG-CG 4.38Å; E259-E263 WeakPolarHBondContact O-CB 3.43Å; E259-E263 PolarHBondContact O-N 3.38Å; E259-E263 VanDerWaalsContact O-N 3.1Å; I260-E263 PolarHBondContact O-N 2.77Å; E263-V265 VanDerWaalsContact C-N 3.32Å; E263-V265 PolarHBondContact O-N 3.15Å; E263-A266 WeakPolarHBondContact O-CB 3.33Å; E263-A266 PolarHBondContact O-N 2.87Å; E263-A266 VanDerWaalsContact O-N 3.12Å; E263-L267 HydrophobicContact CG-CD1 4.25Å; E263-L267 HydrophobicContact CG-CG 4.48Å; E263-L267 WeakPolarHBondContact O-CG 3.38Å; E263-L267 PolarHBondContact O-N 3.33Å
264	A	98.6	Very high	96.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-39.1	176.9	0	0	0	0	0	112.4	L84 I145 L146 A149 I260 L261 A266 L267 I268	L84-A264 HydrophobicContact CD1-CB 3.9Å; I145-A264 HydrophobicContact CG2-CB 3.89Å; I145-A264 WeakPolarHBondContact CG2-O 3.22Å; L146-A264 HydrophobicContact CD2-CB 3.87Å; A149-A264 HydrophobicContact CB-CB 3.93Å; I260-A264 WeakPolarHBondContact O-CB 3.47Å; I260-A264 PolarHBondContact O-N 3.16Å; L261-A264 PolarHBondContact O-N 3.01Å; A264-A266 VanDerWaalsContact C-N 3.34Å; A264-L267 PolarHBondContact O-N 3.38Å; A264-I268 VanDerWaalsContact O-CG1 3.29Å; A264-I268 WeakPolarHBondContact O-CG1 3.3Å; A264-I268 PolarHBondContact O-N 2.81Å
265	V	98	Very high	96.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-42.9	174.5	173.7	0	0	0	0	110.8	V6 I8 V44 V47 L84 L261 L262 E263 I268 G269	V6-V265 HydrophobicContact CB-CG1 4.49Å; V6-V265 HydrophobicContact CB-CG2 4.2Å; V6-V265 HydrophobicContact CG1-CG2 3.99Å; V6-V265 HydrophobicContact CG2-CG1 4.29Å; V6-V265 HydrophobicContact CG2-CG2 4.47Å; I8-V265 HydrophobicContact CD1-CG2 4.12Å; V44-V265 HydrophobicContact CB-CB 4.29Å; V44-V265 HydrophobicContact CB-CG1 3.71Å; V44-V265 HydrophobicContact CG1-CB 4.37Å; V44-V265 HydrophobicContact CG1-CG1 4.24Å; V44-V265 HydrophobicContact CG2-CB 4.46Å; V44-V265 HydrophobicContact CG2-CG1 4.05Å; V47-V265 HydrophobicContact CB-CG1 3.84Å; V47-V265 HydrophobicContact CG1-CG1 3.67Å; L84-V265 HydrophobicContact CD1-CG2 4.22Å; L261-V265 VanDerWaalsContact O-CG2 3.26Å; L261-V265 WeakPolarHBondContact O-CG2 3.38Å; L261-V265 PolarHBondContact O-N 2.83Å; L262-V265 PolarHBondContact O-N 3.43Å; E263-V265 VanDerWaalsContact C-N 3.32Å; E263-V265 PolarHBondContact O-N 3.15Å; V265-I268 PolarHBondContact O-N 3.21Å; V265-G269 PolarHBondContact O-N 3.32Å; V265-G269 VanDerWaalsContact O-N 3.12Å
266	A	97.6	Very high	97.2	Very high	45 Å²	45	43.5 Å²	43.5	37%	0.372	24%	0.236	S	C	.	.	H	α-helix	trans	-63.6	-45.2	177	0	0	0	0	0	111.9	L262 E263 A264 G269 A270	L262-A266 PolarHBondContact O-N 3.22Å; E263-A266 WeakPolarHBondContact O-CB 3.33Å; E263-A266 PolarHBondContact O-N 2.87Å; E263-A266 VanDerWaalsContact O-N 3.12Å; A264-A266 VanDerWaalsContact C-N 3.34Å; A266-G269 PolarHBondContact O-N 3.39Å; A266-G269 VanDerWaalsContact O-N 3.15Å; A266-A270 PolarHBondContact O-N 3.25Å; A266-A270 VanDerWaalsContact O-N 3.15Å
267	L	98.4	Very high	97.4	Very high	36 Å²	36	41.1 Å²	41.1	19%	0.188	23%	0.226	C	C	.	.	H	α-helix	trans	-62.8	-41.4	177.1	-68.7	176.4	0	0	0	112.5	I145 Q148 A149 E263 A264 G269 A270	I145-L267 HydrophobicContact CD1-CB 3.94Å; I145-L267 HydrophobicContact CG2-CB 3.75Å; I145-L267 HydrophobicContact CG2-CD1 4.2Å; Q148-L267 HydrophobicContact CB-CD1 4.24Å; Q148-L267 HydrophobicContact CG-CD1 4.15Å; A149-L267 HydrophobicContact CB-CD1 4.14Å; E263-L267 HydrophobicContact CG-CD1 4.25Å; E263-L267 HydrophobicContact CG-CG 4.48Å; E263-L267 WeakPolarHBondContact O-CG 3.38Å; E263-L267 PolarHBondContact O-N 3.33Å; A264-L267 PolarHBondContact O-N 3.38Å; L267-G269 VanDerWaalsContact C-N 3.26Å; L267-G269 PolarHBondContact O-N 2.83Å; L267-A270 PolarHBondContact O-N 2.84Å; L267-A270 VanDerWaalsContact O-N 3.14Å
268	I	98.6	Very high	97.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-58	-42.8	173	-72.5	166.2	0	0	0	110.4	V4 V6 H82 L84 T142 I145 A264 V265 A270 E271 W273	V4-I268 HydrophobicContact CB-CG2 4.26Å; V4-I268 HydrophobicContact CG1-CG2 4.38Å; V4-I268 HydrophobicContact CG2-CG2 4.24Å; V6-I268 HydrophobicContact CG1-CD1 4.47Å; V6-I268 HydrophobicContact CG2-CB 4.37Å; V6-I268 HydrophobicContact CG2-CD1 4.07Å; V6-I268 HydrophobicContact CG2-CG2 3.92Å; H82-I268 HydrophobicContact CB-CD1 4.4Å; L84-I268 HydrophobicContact CD1-CD1 4.28Å; L84-I268 HydrophobicContact CD2-CD1 4.31Å; L84-I268 HydrophobicContact CG-CD1 4.5Å; T142-I268 HydrophobicContact CG2-CD1 4.33Å; I145-I268 HydrophobicContact CG1-CG1 4.46Å; I145-I268 HydrophobicContact CG2-CG1 4.06Å; A264-I268 VanDerWaalsContact O-CG1 3.29Å; A264-I268 WeakPolarHBondContact O-CG1 3.3Å; A264-I268 PolarHBondContact O-N 2.81Å; V265-I268 PolarHBondContact O-N 3.21Å; I268-A270 PolarHBondContact O-N 3.25Å; I268-E271 PolarHBondContact O-N 3.05Å; I268-W273 HydrophobicContact CG1-CZ2 4.08Å; I268-W273 HydrophobicContact CG2-CZ2 4.38Å; I268-W273 PolarHBondContact O-NE1 2.97Å
269	G	97.8	Very high	97.8	Very high	29 Å²	29	45.6 Å²	45.6	30%	0.299	26%	0.26	S	S	.	.	H	α-helix	trans	-65	-22.7	178.4	0	0	0	0	0	115.3	V265 A266 L267	V265-G269 PolarHBondContact O-N 3.32Å; V265-G269 VanDerWaalsContact O-N 3.12Å; A266-G269 PolarHBondContact O-N 3.39Å; A266-G269 VanDerWaalsContact O-N 3.15Å; L267-G269 VanDerWaalsContact C-N 3.26Å; L267-G269 PolarHBondContact O-N 2.83Å
270	A	97.3	Very high	97.9	Very high	80 Å²	80	44 Å²	44	66%	0.661	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-10.8	-178.5	0	0	0	0	0	113.7	A266 L267 I268	A266-A270 PolarHBondContact O-N 3.25Å; A266-A270 VanDerWaalsContact O-N 3.15Å; L267-A270 PolarHBondContact O-N 2.84Å; L267-A270 VanDerWaalsContact O-N 3.14Å; I268-A270 PolarHBondContact O-N 3.25Å
271	E	97.2	Very high	98	Very high	78 Å²	78	50.1 Å²	50.1	36%	0.364	28%	0.28	S	S	.	.	S	Bend	trans	-112	156.3	-175.5	-65.9	-172.5	-166	0	0	113.3	R141 I268 W273	R141-E271 IonicContact CZ-OE2 3.42Å; R141-E271 IonicContact NE-OE2 3.56Å; R141-E271 IonicContact NH2-OE2 2.69Å; R141-E271 PolarHBondContact NH2-OE2 2.96Å; I268-E271 PolarHBondContact O-N 3.05Å; E271-W273 VanDerWaalsContact O-CD1 3.25Å
272	D	97.5	Very high	98	Very high	82 Å²	82	52.9 Å²	52.9	44%	0.439	30%	0.303	S	S	.	.			trans	-85.1	128.7	167.3	-174.8	33.4	0	0	0	111.3	S2 R141 T274	S2-D272 PolarHBondContact N-OD1 2.88Å; S2-D272 PolarHBondContact OG-OD1 3.41Å; R141-D272 PolarHBondContact NH1-O 3.35Å; R141-D272 PolarHBondContact NH2-O 3.37Å; D272-T274 PolarHBondContact OD1-N 3.24Å; D272-T274 PolarHBondContact OD1-OG1 2.91Å; D272-T274 PolarHBondContact OD2-OG1 3.2Å
273	W	98.4	Very high	98.1	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.302	C	S	.	.			trans	-112.7	3	-177.2	-70	85.7	0	0	0	112.9	S2 V4 H82 R141 I145 I268 E271 K275 T276 I277	S2-W273 PolarHBondContact OG-N 3.42Å; V4-W273 HydrophobicContact CG1-CB 4.09Å; V4-W273 HydrophobicContact CG1-CG 3.98Å; H82-W273 AromaticContact CE1-CD2 3.47Å; H82-W273 VanDerWaalsContact CE1-CD2 3.47Å; H82-W273 AromaticContact CE1-CE2 3.85Å; H82-W273 AromaticContact CE1-CE3 3.69Å; H82-W273 AromaticContact CE1-CG 3.73Å; H82-W273 AromaticContact NE2-CD2 3.26Å; H82-W273 VanDerWaalsContact NE2-CD2 3.26Å; H82-W273 AromaticContact NE2-CE2 3.53Å; H82-W273 AromaticContact NE2-CE3 3.11Å; H82-W273 AromaticContact NE2-CH2 3.51Å; H82-W273 AromaticContact NE2-CZ2 3.67Å; H82-W273 AromaticContact NE2-CZ3 3.23Å; H82-W273 WeakPolarHBondContact NE2-CZ3 3.4Å; R141-W273 HydrophobicContact CB-CH2 3.63Å; R141-W273 HydrophobicContact CB-CZ3 3.66Å; I145-W273 HydrophobicContact CG1-CZ2 4.29Å; I268-W273 HydrophobicContact CG1-CZ2 4.08Å; I268-W273 HydrophobicContact CG2-CZ2 4.38Å; I268-W273 PolarHBondContact O-NE1 2.97Å; E271-W273 VanDerWaalsContact O-CD1 3.25Å; W273-K275 PolarHBondContact O-N 2.93Å; W273-T276 HydrophobicContact CE3-CG2 3.85Å; W273-T276 HydrophobicContact CZ3-CG2 4.05Å; W273-T276 PolarHBondContact O-N 3.49Å; W273-I277 HydrophobicContact CB-CD1 3.71Å; W273-I277 HydrophobicContact CB-CG1 4.11Å; W273-I277 WeakPolarHBondContact O-CG1 3.4Å; W273-I277 PolarHBondContact O-N 2.89Å
274	T	97.9	Very high	98.1	Very high	48 Å²	48	50.8 Å²	50.8	29%	0.294	29%	0.293	S	S	.	.	H	α-helix	trans	-47.1	-57	-174.6	-58.4	0	0	0	0	112.2	S2 D272 T276 I277 E278	S2-T274 WeakPolarHBondContact CB-OG1 3.36Å; S2-T274 PolarHBondContact OG-N 3.02Å; D272-T274 PolarHBondContact OD1-N 3.24Å; D272-T274 PolarHBondContact OD1-OG1 2.91Å; D272-T274 PolarHBondContact OD2-OG1 3.2Å; T274-T276 PolarHBondContact O-N 3.36Å; T274-I277 PolarHBondContact O-N 3.21Å; T274-E278 WeakPolarHBondContact O-CG 3.27Å; T274-E278 PolarHBondContact O-N 2.88Å
275	K	97.7	Very high	98.1	Very high	172 Å²	172	55.9 Å²	55.9	75%	0.748	32%	0.319	S	S	*	.	H	α-helix	trans	-64.7	-36.6	-179.6	-70.4	-173.9	177.7	-178.7	0	113.8	W273 A279	W273-K275 PolarHBondContact O-N 2.93Å; K275-A279 WeakPolarHBondContact O-CB 3.46Å; K275-A279 PolarHBondContact O-N 3.41Å
276	T	98.3	Very high	98.1	Very high	24 Å²	24	59.3 Å²	59.3	15%	0.147	34%	0.343	C	S	.	.	H	α-helix	trans	-69.7	-41.6	178.8	-61.1	0	0	0	0	110.9	R141 W273 T274 A279 N280	R141-T276 WeakPolarHBondContact CD-OG1 3.22Å; R141-T276 PolarHBondContact NH1-OG1 3.48Å; W273-T276 HydrophobicContact CE3-CG2 3.85Å; W273-T276 HydrophobicContact CZ3-CG2 4.05Å; W273-T276 PolarHBondContact O-N 3.49Å; T274-T276 PolarHBondContact O-N 3.36Å; T276-A279 PolarHBondContact O-N 2.94Å; T276-N280 PolarHBondContact O-N 3.07Å; T276-N280 PolarHBondContact O-OD1 2.88Å
277	I	98.4	Very high	98.1	Very high	20 Å²	20	57.6 Å²	57.6	10%	0.103	33%	0.328	C	S	.	.	H	α-helix	trans	-65.5	-40.1	176.4	-67.5	164.7	0	0	0	110.7	T81 W273 T274 K281	T81-I277 HydrophobicContact CG2-CD1 3.72Å; T81-I277 HydrophobicContact CG2-CG1 4.44Å; W273-I277 HydrophobicContact CB-CD1 3.71Å; W273-I277 HydrophobicContact CB-CG1 4.11Å; W273-I277 WeakPolarHBondContact O-CG1 3.4Å; W273-I277 PolarHBondContact O-N 2.89Å; T274-I277 PolarHBondContact O-N 3.21Å; I277-K281 HydrophobicContact CG2-CD 4.39Å; I277-K281 WeakPolarHBondContact O-CG 3.45Å; I277-K281 PolarHBondContact O-N 3.29Å
278	E	98	Very high	98	Very high	115 Å²	115	57.3 Å²	57.3	54%	0.537	32%	0.324	S	S	.	.	H	α-helix	trans	-61.1	-47.3	172.5	-74.9	170.7	-179.7	0	0	111.6	T274 N280 K281 A282	T274-E278 WeakPolarHBondContact O-CG 3.27Å; T274-E278 PolarHBondContact O-N 2.88Å; E278-N280 PolarHBondContact O-N 2.95Å; E278-K281 PolarHBondContact O-N 2.85Å; E278-A282 WeakPolarHBondContact O-CB 3.45Å; E278-A282 PolarHBondContact O-N 3.29Å
279	A	98.5	Very high	97.9	Very high	57 Å²	57	60.6 Å²	60.6	47%	0.471	34%	0.34	S	S	.	.	H	α-helix	trans	-61.7	-41.6	177.9	0	0	0	0	0	112.5	K275 T276 K281 A282 L283	K275-A279 WeakPolarHBondContact O-CB 3.46Å; K275-A279 PolarHBondContact O-N 3.41Å; T276-A279 PolarHBondContact O-N 2.94Å; A279-K281 VanDerWaalsContact C-N 3.33Å; A279-K281 PolarHBondContact O-N 3.28Å; A279-A282 PolarHBondContact O-N 3.48Å; A279-L283 WeakPolarHBondContact O-CB 3.27Å; A279-L283 PolarHBondContact O-N 3.18Å
280	N	98.6	Very high	97.7	Very high	31 Å²	31	61.1 Å²	61.1	17%	0.166	34%	0.336	C	S	.	.	H	α-helix	trans	-59.3	-44.8	176	-69.1	-10	0	0	0	111.4	G219 S221 T276 E278 V284	G219-N280 WeakPolarHBondContact O-CB 3.44Å; S221-N280 PolarHBondContact N-ND2 2.97Å; S221-N280 PolarHBondContact OG-ND2 2.97Å; T276-N280 PolarHBondContact O-N 3.07Å; T276-N280 PolarHBondContact O-OD1 2.88Å; E278-N280 PolarHBondContact O-N 2.95Å; N280-V284 PolarHBondContact O-N 3.26Å
281	K	98.3	Very high	97.5	Very high	128 Å²	128	60.2 Å²	60.2	56%	0.557	32%	0.319	S	S	*	.	H	α-helix	trans	-67.4	-42.4	177.4	-68.5	170.8	-177.6	176.9	0	111.9	I277 E278 A279 L283 V284 M285	I277-K281 HydrophobicContact CG2-CD 4.39Å; I277-K281 WeakPolarHBondContact O-CG 3.45Å; I277-K281 PolarHBondContact O-N 3.29Å; E278-K281 PolarHBondContact O-N 2.85Å; A279-K281 VanDerWaalsContact C-N 3.33Å; A279-K281 PolarHBondContact O-N 3.28Å; K281-L283 VanDerWaalsContact C-N 3.31Å; K281-L283 PolarHBondContact O-N 2.98Å; K281-V284 PolarHBondContact O-N 3.24Å; K281-M285 PolarHBondContact O-N 2.77Å
282	A	98.4	Very high	97.1	Very high	57 Å²	57	60.4 Å²	60.4	47%	0.471	32%	0.323	S	S	.	.	H	α-helix	trans	-61.2	-40.9	178.2	0	0	0	0	0	111.4	E278 A279 V284 M285 S286	E278-A282 WeakPolarHBondContact O-CB 3.45Å; E278-A282 PolarHBondContact O-N 3.29Å; A279-A282 PolarHBondContact O-N 3.48Å; A282-V284 VanDerWaalsContact C-N 3.32Å; A282-V284 PolarHBondContact O-N 3.41Å; A282-M285 PolarHBondContact O-N 3.23Å; A282-M285 VanDerWaalsContact O-N 3.15Å; A282-S286 WeakPolarHBondContact O-CB 2.79Å; A282-S286 PolarHBondContact O-N 3.43Å; A282-S286 PolarHBondContact O-OG 3.29Å
283	L	98.6	Very high	96.5	Very high	54 Å²	54	59.8 Å²	59.8	28%	0.283	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-39.9	177.1	-176.3	63.9	0	0	0	112.3	M132 P133 A279 K281 S286 S287	M132-L283 HydrophobicContact CE-CD2 4.03Å; M132-L283 HydrophobicContact CE-CG 3.82Å; P133-L283 HydrophobicContact CG-CD1 4.13Å; A279-L283 WeakPolarHBondContact O-CB 3.27Å; A279-L283 PolarHBondContact O-N 3.18Å; K281-L283 VanDerWaalsContact C-N 3.31Å; K281-L283 PolarHBondContact O-N 2.98Å; L283-S286 PolarHBondContact O-OG 3.02Å; L283-S287 WeakPolarHBondContact O-CB 3.29Å; L283-S287 PolarHBondContact O-N 2.98Å; L283-S287 PolarHBondContact O-OG 3.05Å
284	V	98.5	Very high	95.8	Very high	10 Å²	10	66.6 Å²	66.6	6%	0.061	35%	0.348	C	S	.	.	H	α-helix	trans	-61.7	-47.6	174.7	176.3	0	0	0	0	110.2	L130 M132 R216 E217 N280 K281 A282 S287	L130-V284 HydrophobicContact CD1-CG1 4.27Å; L130-V284 VanDerWaalsContact CD1-O 3.28Å; L130-V284 WeakPolarHBondContact CD1-O 3.47Å; M132-V284 HydrophobicContact CE-CG2 3.93Å; R216-V284 WeakPolarHBondContact O-CG2 3.15Å; E217-V284 WeakPolarHBondContact O-CG2 3.25Å; N280-V284 PolarHBondContact O-N 3.26Å; K281-V284 PolarHBondContact O-N 3.24Å; A282-V284 VanDerWaalsContact C-N 3.32Å; A282-V284 PolarHBondContact O-N 3.41Å; V284-S287 PolarHBondContact O-N 3.27Å
285	M	98.1	Very high	95	Very high	108 Å²	108	67.4 Å²	67.4	53%	0.532	37%	0.366	S	S	.	.	H	α-helix	trans	-66.2	-40.1	-179	-66.2	-53.2	-56.8	0	0	112.8	K281 A282 S287 R288 L291	K281-M285 PolarHBondContact O-N 2.77Å; A282-M285 PolarHBondContact O-N 3.23Å; A282-M285 VanDerWaalsContact O-N 3.15Å; M285-S287 PolarHBondContact O-N 3.16Å; M285-R288 WeakPolarHBondContact O-CB 3.12Å; M285-R288 PolarHBondContact O-N 3.42Å; M285-L291 HydrophobicContact CE-CD1 3.77Å
286	S	97.6	Very high	94.1	Very high	72 Å²	72	62.9 Å²	62.9	50%	0.503	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-6.9	177.8	70.7	0	0	0	0	113.7	A282 L283 L292	A282-S286 WeakPolarHBondContact O-CB 2.79Å; A282-S286 PolarHBondContact O-N 3.43Å; A282-S286 PolarHBondContact O-OG 3.29Å; L283-S286 PolarHBondContact O-OG 3.02Å; S286-L292 WeakPolarHBondContact O-CD1 3.45Å
287	S	97.9	Very high	92.7	Very high	9 Å²	9	69 Å²	69	6%	0.063	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	3	178.1	-57.5	0	0	0	0	112.6	H131 M132 P133 L283 V284 M285 Q289	H131-S287 PolarHBondContact N-O 3.47Å; H131-S287 WeakPolarHBondContact O-CB 3.21Å; M132-S287 WeakPolarHBondContact SD-CB 3.33Å; M132-S287 PolarHBondContact SD-OG 3.35Å; P133-S287 VanDerWaalsContact CD-OG 3.29Å; P133-S287 WeakPolarHBondContact CD-OG 3.34Å; L283-S287 WeakPolarHBondContact O-CB 3.29Å; L283-S287 PolarHBondContact O-N 2.98Å; L283-S287 PolarHBondContact O-OG 3.05Å; V284-S287 PolarHBondContact O-N 3.27Å; M285-S287 PolarHBondContact O-N 3.16Å; S287-Q289 PolarHBondContact O-N 3.27Å
288	R	97.5	Very high	91.3	Very high	29 Å²	29	72.4 Å²	72.4	11%	0.109	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-83.2	92.5	179.2	-71.6	-68.6	-60.1	-82.7	-1.6	110.7	K127 L130 M285 D290 L291 L292	K127-R288 PolarHBondContact O-NH2 3.47Å; K127-R288 VanDerWaalsContact O-NH2 3.11Å; L130-R288 VanDerWaalsContact CD1-CD 3.5Å; L130-R288 HydrophobicContact CD1-CG 3.83Å; M285-R288 WeakPolarHBondContact O-CB 3.12Å; M285-R288 PolarHBondContact O-N 3.42Å; R288-D290 IonicContact CZ-OD1 2.78Å; R288-D290 IonicContact CZ-OD2 3.49Å; R288-D290 IonicContact NE-OD1 2.74Å; R288-D290 PolarHBondContact NE-OD1 2.96Å; R288-D290 IonicContact NE-OD2 3.61Å; R288-D290 IonicContact NH2-OD1 3.37Å; R288-D290 PolarHBondContact NH2-OD1 3.05Å; R288-D290 IonicContact NH2-OD2 2.74Å; R288-D290 PolarHBondContact NH2-OD2 2.79Å; R288-D290 PolarHBondContact O-N 2.97Å; R288-L291 HydrophobicContact CB-CB 3.95Å; R288-L291 HydrophobicContact CB-CD1 3.77Å; R288-L291 HydrophobicContact CB-CG 3.83Å; R288-L291 HydrophobicContact CG-CD1 4Å; R288-L291 HydrophobicContact CG-CG 4.49Å; R288-L291 PolarHBondContact O-N 2.76Å; R288-L291 VanDerWaalsContact O-N 3.11Å; R288-L292 WeakPolarHBondContact O-CD1 3.48Å; R288-L292 WeakPolarHBondContact O-CG 3.45Å; R288-L292 PolarHBondContact O-N 3.43Å
289	Q	95.6	Very high	89.4	Confident	69 Å²	69	80.1 Å²	80.1	32%	0.322	44%	0.438	S	S	.	.	H	α-helix	trans	-57.6	-40.4	-179	-173.7	63.1	24.2	0	0	111.7	V129 S287 L291 L292 H293	V129-Q289 HydrophobicContact CB-CB 4.3Å; V129-Q289 HydrophobicContact CG1-CB 4.28Å; V129-Q289 PolarHBondContact O-N 2.98Å; S287-Q289 PolarHBondContact O-N 3.27Å; Q289-L291 VanDerWaalsContact C-N 3.3Å; Q289-L291 PolarHBondContact O-N 2.89Å; Q289-L292 PolarHBondContact O-N 3.11Å; Q289-H293 PolarHBondContact NE2-CD2 3.03Å; Q289-H293 PolarHBondContact NE2-CE1 3.37Å; Q289-H293 PolarHBondContact NE2-NE2 3.32Å; Q289-H293 PolarHBondContact O-CD2 3.37Å; Q289-H293 PolarHBondContact O-N 3.13Å
290	D	93.9	Very high	88.9	Confident	40 Å²	40	81.3 Å²	81.3	21%	0.214	44%	0.437	C	S	.	.	H	α-helix	trans	-63.3	-34.3	179.6	60.6	-68	0	0	0	113	G128 V129 R288 Q294	G128-D290 WeakPolarHBondContact CA-OD1 3.42Å; G128-D290 WeakPolarHBondContact CA-OD2 3.47Å; V129-D290 PolarHBondContact N-OD1 3.28Å; R288-D290 IonicContact CZ-OD1 2.78Å; R288-D290 IonicContact CZ-OD2 3.49Å; R288-D290 IonicContact NE-OD1 2.74Å; R288-D290 PolarHBondContact NE-OD1 2.96Å; R288-D290 IonicContact NE-OD2 3.61Å; R288-D290 IonicContact NH2-OD1 3.37Å; R288-D290 PolarHBondContact NH2-OD1 3.05Å; R288-D290 IonicContact NH2-OD2 2.74Å; R288-D290 PolarHBondContact NH2-OD2 2.79Å; R288-D290 PolarHBondContact O-N 2.97Å; D290-Q294 WeakPolarHBondContact O-CG 3.43Å; D290-Q294 PolarHBondContact O-N 3.3Å
291	L	92.9	Very high	88.4	Confident	61 Å²	61	83.9 Å²	83.9	32%	0.319	45%	0.451	S	S	.	.	H	α-helix	trans	-81.8	-35.1	177.7	-58.3	-177.5	0	0	0	111.9	M285 R288 Q289 Q294 G295	M285-L291 HydrophobicContact CE-CD1 3.77Å; R288-L291 HydrophobicContact CB-CB 3.95Å; R288-L291 HydrophobicContact CB-CD1 3.77Å; R288-L291 HydrophobicContact CB-CG 3.83Å; R288-L291 HydrophobicContact CG-CD1 4Å; R288-L291 HydrophobicContact CG-CG 4.49Å; R288-L291 PolarHBondContact O-N 2.76Å; R288-L291 VanDerWaalsContact O-N 3.11Å; Q289-L291 VanDerWaalsContact C-N 3.3Å; Q289-L291 PolarHBondContact O-N 2.89Å; L291-Q294 PolarHBondContact O-N 2.88Å; L291-G295 PolarHBondContact O-N 3.18Å
292	L	89.2	Confident	87.9	Confident	83 Å²	83	81.4 Å²	81.4	44%	0.435	45%	0.445	S	S	.	.	H	α-helix	trans	-62.7	-45	175.2	-76.8	155.8	0	0	0	111.5	S286 R288 Q289 Q294 G295 S296	S286-L292 WeakPolarHBondContact O-CD1 3.45Å; R288-L292 WeakPolarHBondContact O-CD1 3.48Å; R288-L292 WeakPolarHBondContact O-CG 3.45Å; R288-L292 PolarHBondContact O-N 3.43Å; Q289-L292 PolarHBondContact O-N 3.11Å; L292-Q294 PolarHBondContact O-N 3.3Å; L292-G295 PolarHBondContact O-N 2.87Å; L292-G295 VanDerWaalsContact O-N 3.15Å; L292-S296 PolarHBondContact O-N 3.16Å; L292-S296 VanDerWaalsContact O-N 3.13Å
293	H	84.2	Confident	87.2	Confident	69 Å²	69	82.9 Å²	82.9	32%	0.319	44%	0.444	S	S	.	.	H	α-helix	trans	-60.5	-43.2	175.2	-78.6	-51.3	0	0	0	112.5	Q289 G295 S296 N297 D298	Q289-H293 PolarHBondContact NE2-CD2 3.03Å; Q289-H293 PolarHBondContact NE2-CE1 3.37Å; Q289-H293 PolarHBondContact NE2-NE2 3.32Å; Q289-H293 PolarHBondContact O-CD2 3.37Å; Q289-H293 PolarHBondContact O-N 3.13Å; H293-G295 VanDerWaalsContact C-N 3.31Å; H293-G295 PolarHBondContact O-N 3.23Å; H293-S296 PolarHBondContact O-N 3.26Å; H293-N297 PolarHBondContact O-N 3.18Å; H293-N297 VanDerWaalsContact O-N 3.15Å; H293-D298 HydrophobicContact CB-CB 4.15Å; H293-D298 WeakPolarHBondContact ND1-CB 3.44Å; H293-D298 IonicContact ND1-OD2 3.28Å; H293-D298 PolarHBondContact ND1-OD2 3.41Å; H293-D298 PolarHBondContact O-N 2.71Å
294	Q	83.2	Confident	86.5	Confident	142 Å²	142	84.7 Å²	84.7	66%	0.664	45%	0.454	S	S	*	.	H	α-helix	trans	-61.9	-38.2	174.6	-73.3	178.2	-0.4	0	0	112.2	D290 L291 L292 S296	D290-Q294 WeakPolarHBondContact O-CG 3.43Å; D290-Q294 PolarHBondContact O-N 3.3Å; L291-Q294 PolarHBondContact O-N 2.88Å; L292-Q294 PolarHBondContact O-N 3.3Å; Q294-S296 VanDerWaalsContact C-N 3.28Å; Q294-S296 PolarHBondContact O-N 3.26Å
295	G	81.5	Confident	85.7	Confident	65 Å²	65	89.7 Å²	89.7	67%	0.67	48%	0.48	S	S	*	.	H	α-helix	trans	-67.5	-24.6	177.7	0	0	0	0	0	114.3	L291 L292 H293	L291-G295 PolarHBondContact O-N 3.18Å; L292-G295 PolarHBondContact O-N 2.87Å; L292-G295 VanDerWaalsContact O-N 3.15Å; H293-G295 VanDerWaalsContact C-N 3.31Å; H293-G295 PolarHBondContact O-N 3.23Å
296	S	79.7	Confident	84.8	Confident	78 Å²	78	88.4 Å²	88.4	55%	0.545	48%	0.476	S	S	.	.	H	α-helix	trans	-102.8	-0.2	-179.6	-62.8	0	0	0	0	114.6	L292 H293 Q294 D298	L292-S296 PolarHBondContact O-N 3.16Å; L292-S296 VanDerWaalsContact O-N 3.13Å; H293-S296 PolarHBondContact O-N 3.26Å; Q294-S296 VanDerWaalsContact C-N 3.28Å; Q294-S296 PolarHBondContact O-N 3.26Å; S296-D298 PolarHBondContact O-N 3.43Å
297	N	67.8	Low	83.9	Confident	151 Å²	151	89.6 Å²	89.6	81%	0.807	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	29.8	-169.3	-57.6	-58.2	0	0	0	113.7	H293	H293-N297 PolarHBondContact O-N 3.18Å; H293-N297 VanDerWaalsContact O-N 3.15Å
298	D	70.5	Confident	82.7	Confident	92 Å²	92	96.3 Å²	96.3	49%	0.492	51%	0.509	S	S	.	.			trans	-75.9	143.7	172.4	-70.7	-23.6	0	0	0	109.9	H293 S296	H293-D298 HydrophobicContact CB-CB 4.15Å; H293-D298 WeakPolarHBondContact ND1-CB 3.44Å; H293-D298 IonicContact ND1-OD2 3.28Å; H293-D298 PolarHBondContact ND1-OD2 3.41Å; H293-D298 PolarHBondContact O-N 2.71Å; S296-D298 PolarHBondContact O-N 3.43Å
299	K	56.6	Low	81.3	Confident	277 Å²	277	102.5 Å²	102.5	100%	1.204	55%	0.545	S	S	*	.			trans	-76.5	0	-176.5	-71.4	-175.2	178.4	179.2	0	113.2

Retrieved 299 of 299 residues in 353.8 ms (Link to these results)

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