A0A060YFZ9_ONCMY Loading...

Queuine tRNA-ribosyltransferase catalytic subunit 1

Catalytic subunit of the queuine tRNA-ribosyltransferase (TGT) that catalyzes the base-exchange of a guanine (G) residue with queuine (Q) at position 34 (anticodon wobble position) in tRNAs with GU(N) anticodons (tRNA-Asp, -Asn, -His and -Tyr), resulting in the hypermodified nucleoside queuosine (7-(((4,5-cis-dihydroxy-2-cyclopenten-1-yl)amino)methyl)-7-deazaguanosine). Catalysis occurs through a double-displacement mechanism. The nucleophile active site attacks the C1' of nucleotide 34 to detach the guanine base from the RNA, forming a covalent enzyme-RNA intermediate. The proton acceptor active site deprotonates the incoming queuine, allowing a nucleophilic attack on the C1' of the ribose to form the product.

AlphaFold DB , UniProt , Accession A0A060YFZ9, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110486728, Length 417 aa.

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(Predicted Aligned Error values between residue pairs)

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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	37.8	Very low	33	Very low	245 Å²	245	137.6 Å²	137.6	100%	1.207	88%	0.88	S	S	*	*				0	124.6	0	-72.3	-174.1	-136.8	0	0	108
2	A	34.6	Very low	32.7	Very low	104 Å²	104	134.4 Å²	134.4	86%	0.86	86%	0.864	S	S	*	*			trans	46.3	109.4	167.3	0	0	0	0	0	120.1
3	A	30.7	Very low	32.5	Very low	96 Å²	96	132.6 Å²	132.6	79%	0.793	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-78.9	155.2	158.1	0	0	0	0	0	111.1
4	P	39.9	Very low	32.2	Very low	131 Å²	131	136.1 Å²	136.1	85%	0.851	85%	0.853	S	S	*	*	P	Polyproline II helix	trans	-89.2	152.2	179.7	35.2	-31.7	0	0	0	112.8
5	I	34.9	Very low	32.1	Very low	166 Å²	166	139.6 Å²	139.6	85%	0.851	86%	0.855	S	S	*	*	P	Polyproline II helix	trans	-82.9	131.5	175.5	-64.5	164.4	0	0	0	109.3
6	A	31.8	Very low	32.1	Very low	101 Å²	101	138.9 Å²	138.9	84%	0.835	85%	0.851	S	S	*	*			trans	-142.3	135.4	156.4	0	0	0	0	0	110.3
7	R	34	Very low	32	Very low	252 Å²	252	135.1 Å²	135.1	95%	0.951	85%	0.846	S	S	*	*			trans	-74.8	143.6	-166.4	-66.4	171.5	171.4	178.4	-4.3	113
8	G	29.2	Very low	31.9	Very low	77 Å²	77	136.8 Å²	136.8	79%	0.794	84%	0.844	S	S	*	*			trans	-147.4	130.5	164	0	0	0	0	0	110
9	A	29.9	Very low	31.8	Very low	103 Å²	103	136.3 Å²	136.3	85%	0.851	84%	0.84	S	S	*	*			trans	-63.6	142	-165.1	0	0	0	0	0	114.9
10	A	29	Very low	31.8	Very low	104 Å²	104	135.3 Å²	135.3	86%	0.86	83%	0.833	S	S	*	*			trans	-86	116.7	171.1	0	0	0	0	0	110.4
11	T	31.1	Very low	31.7	Very low	135 Å²	135	137.8 Å²	137.8	83%	0.828	83%	0.832	S	S	*	*			trans	-99.6	106.4	158.3	46.4	0	0	0	0	107.5	S13	T11-S13 PolarHBondContact O-N 2.76Å
12	S	30.1	Very low	31.4	Very low	99 Å²	99	135.4 Å²	135.4	69%	0.692	82%	0.816	S	S	*	*			trans	-87.6	104.2	174	57.7	0	0	0	0	110.2	F14	S12-F14 PolarHBondContact O-N 3.31Å
13	S	29.3	Very low	31.5	Very low	111 Å²	111	135 Å²	135	78%	0.776	81%	0.812	S	S	*	*			trans	-76.3	105.5	162.1	50.6	0	0	0	0	109.3	T11 E15	T11-S13 PolarHBondContact O-N 2.76Å; S13-E15 PolarHBondContact O-N 3.29Å
14	F	29.3	Very low	31.8	Very low	181 Å²	181	136.5 Å²	136.5	79%	0.794	81%	0.811	S	S	*	*			trans	-83.5	100.6	165.2	-88.8	-88.9	0	0	0	108.7	S12 T16	S12-F14 PolarHBondContact O-N 3.31Å; F14-T16 PolarHBondContact O-N 3.06Å
15	E	30.3	Very low	31.9	Very low	189 Å²	189	135 Å²	135	88%	0.883	80%	0.804	S	S	*	*			trans	-76.3	102.4	162.1	-78.2	-177.1	152.2	0	0	108.8	S13 G17	S13-E15 PolarHBondContact O-N 3.29Å; E15-G17 PolarHBondContact O-N 3.31Å
16	T	32.3	Very low	32.8	Very low	128 Å²	128	132.1 Å²	132.1	79%	0.785	79%	0.789	S	S	*	*			trans	-86.5	92.8	165.5	34.6	0	0	0	0	109.2	F14 M18	F14-T16 PolarHBondContact O-N 3.06Å; T16-M18 VanDerWaalsContact C-N 3.27Å; T16-M18 PolarHBondContact O-N 2.87Å
17	G	30.3	Very low	34.2	Very low	74 Å²	74	133.1 Å²	133.1	76%	0.763	78%	0.784	S	S	*	*			trans	-66.6	84	166.4	0	0	0	0	0	110.9	E15 V19	E15-G17 PolarHBondContact O-N 3.31Å; G17-V19 PolarHBondContact O-N 3.4Å
18	M	29.6	Very low	35.9	Very low	166 Å²	166	122.9 Å²	122.9	82%	0.818	75%	0.754	S	S	*	*			trans	-81.6	94.1	171.2	-147.5	173.6	85	0	0	108.3	T16 V20	T16-M18 VanDerWaalsContact C-N 3.27Å; T16-M18 PolarHBondContact O-N 2.87Å; M18-V20 PolarHBondContact O-N 2.87Å
19	V	29.5	Very low	38.5	Very low	127 Å²	127	120.7 Å²	120.7	77%	0.77	73%	0.725	S	S	*	*			trans	-65.1	99.9	169.6	178.5	0	0	0	0	107.4	G17 K21	G17-V19 PolarHBondContact O-N 3.4Å; V19-K21 VanDerWaalsContact C-N 3.33Å; V19-K21 PolarHBondContact O-N 2.8Å
20	V	33.2	Very low	41.5	Very low	116 Å²	116	116.5 Å²	116.5	70%	0.703	69%	0.689	S	S	*	*			trans	-62.8	97.9	167.4	-180	0	0	0	0	106.7	M18 K22	M18-V20 PolarHBondContact O-N 2.87Å; V20-K22 PolarHBondContact O-N 3.05Å
21	K	29.1	Very low	44.6	Very low	188 Å²	188	114.1 Å²	114.1	82%	0.817	67%	0.669	S	S	*	*			trans	-59.9	106.7	164.3	-76.8	-176.1	176.9	179.6	0	106.4	V19 A23	V19-K21 VanDerWaalsContact C-N 3.33Å; V19-K21 PolarHBondContact O-N 2.8Å; K21-A23 PolarHBondContact O-N 3.1Å
22	K	30.8	Very low	47.8	Very low	196 Å²	196	109 Å²	109	85%	0.852	64%	0.637	S	S	*	*			trans	-50.1	112.1	161.1	-96.9	-178.7	173.5	179	0	106.3	V20 V24	V20-K22 PolarHBondContact O-N 3.05Å; K22-V24 PolarHBondContact O-N 3.18Å; K22-V24 VanDerWaalsContact O-N 3.09Å
23	A	38.2	Very low	51	Low	94 Å²	94	111.7 Å²	111.7	78%	0.777	63%	0.631	S	S	*	*			trans	-53.2	120	169.7	0	0	0	0	0	106.9	K21 S25	K21-A23 PolarHBondContact O-N 3.1Å; A23-S25 PolarHBondContact O-N 2.85Å; A23-S25 VanDerWaalsContact O-N 3.08Å
24	V	35.1	Very low	54.3	Low	129 Å²	129	108.2 Å²	108.2	78%	0.782	60%	0.604	S	S	*	*			trans	-55.9	118.4	168.9	176.4	0	0	0	0	105.2	K22 I26	K22-V24 PolarHBondContact O-N 3.18Å; K22-V24 VanDerWaalsContact O-N 3.09Å; V24-I26 VanDerWaalsContact C-N 3.31Å; V24-I26 PolarHBondContact O-N 2.66Å
25	S	42.5	Very low	57.6	Low	100 Å²	100	102.7 Å²	102.7	70%	0.699	58%	0.582	S	S	*	*			trans	-58.7	98.4	174.6	168.9	0	0	0	0	107.3	A23 V27	A23-S25 PolarHBondContact O-N 2.85Å; A23-S25 VanDerWaalsContact O-N 3.08Å; S25-V27 PolarHBondContact O-N 3.32Å
26	I	54.7	Low	60.9	Low	104 Å²	104	94.7 Å²	94.7	53%	0.533	55%	0.548	S	S	.	.			trans	-69.8	109.2	167.6	-62.9	173.9	0	0	0	103.8	V24 A28 P207 D208	V24-I26 VanDerWaalsContact C-N 3.31Å; V24-I26 PolarHBondContact O-N 2.66Å; I26-A28 PolarHBondContact O-N 3.28Å; I26-A28 VanDerWaalsContact O-N 3.13Å; I26-P207 HydrophobicContact CD1-CG 4.3Å; I26-D208 HydrophobicContact CG2-CB 3.94Å
27	V	61.2	Low	64	Low	122 Å²	122	92.6 Å²	92.6	74%	0.739	53%	0.53	S	S	*	.			trans	-57.3	119.5	176.3	178.9	0	0	0	0	107.1	S25	S25-V27 PolarHBondContact O-N 3.32Å
28	A	70	Confident	67.3	Low	38 Å²	38	89.4 Å²	89.4	31%	0.314	50%	0.496	S	S	.	.			trans	-56.5	139.9	178.9	0	0	0	0	0	110	I26 L30 P238	I26-A28 PolarHBondContact O-N 3.28Å; I26-A28 VanDerWaalsContact O-N 3.13Å; A28-L30 PolarHBondContact O-N 3.13Å; A28-P238 HydrophobicContact CB-CB 4.2Å
29	P	82.4	Confident	70.5	Confident	30 Å²	30	86.7 Å²	86.7	20%	0.195	49%	0.491	C	S	.	.	S	Bend	trans	-65.1	-24.2	-179.9	21	-28.5	0	0	0	112.3	P51 P207 D208 N211	P29-P51 HydrophobicContact CB-CG 4.27Å; P29-P207 WeakPolarHBondContact CD-O 3.45Å; P29-D208 WeakPolarHBondContact CB-O 3.46Å; P29-D208 WeakPolarHBondContact CG-O 3.2Å; P29-N211 WeakPolarHBondContact CD-OD1 3.43Å; P29-N211 WeakPolarHBondContact CG-OD1 3.36Å
30	L	93.8	Very high	73.7	Confident	15 Å²	15	83.5 Å²	83.5	8%	0.079	47%	0.471	C	S	.	.			trans	-78.4	126.2	171.1	-173.5	159.1	0	0	0	111.4	A28 L32 K49 L50 N211 F213 P238 P270	A28-L30 PolarHBondContact O-N 3.13Å; L30-L32 HydrophobicContact CD2-CB 4.43Å; L30-K49 WeakPolarHBondContact CA-O 3.44Å; L30-L50 HydrophobicContact CB-CD2 4.07Å; L30-L50 HydrophobicContact CD1-CD2 3.85Å; L30-L50 HydrophobicContact CG-CD2 4.01Å; L30-N211 HydrophobicContact CB-CB 4.26Å; L30-N211 WeakPolarHBondContact CB-OD1 3.29Å; L30-N211 HydrophobicContact CD1-CB 4.4Å; L30-N211 PolarHBondContact N-OD1 2.9Å; L30-F213 HydrophobicContact CD1-CE1 3.77Å; L30-F213 HydrophobicContact CD1-CZ 3.89Å; L30-P238 HydrophobicContact CB-CB 4.17Å; L30-P270 HydrophobicContact CD1-CG 4.15Å; L30-P270 HydrophobicContact CD2-CG 4.33Å
31	A	94	Very high	76.8	Confident	55 Å²	55	78.7 Å²	78.7	46%	0.455	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.9	164.2	0	0	0	0	0	109.8	K49	A31-K49 HydrophobicContact CB-CB 4.35Å; A31-K49 PolarHBondContact N-O 3.26Å; A31-K49 PolarHBondContact O-N 3.4Å
32	L	97.3	Very high	80.1	Confident	27 Å²	27	72.3 Å²	72.3	14%	0.141	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	126.8	173.5	-175.8	153.7	0	0	0	109.2	L30 I34 C46 L48 P270	L30-L32 HydrophobicContact CD2-CB 4.43Å; L32-I34 HydrophobicContact CD2-CD1 4.31Å; L32-I34 HydrophobicContact CD2-CG1 3.49Å; L32-I34 VanDerWaalsContact CD2-CG1 3.49Å; L32-C46 HydrophobicContact CD1-CB 4.43Å; L32-C46 HydrophobicContact CD2-CB 4.1Å; L32-C46 HydrophobicContact CG-CB 4.06Å; L32-L48 HydrophobicContact CB-CD2 3.83Å; L32-L48 HydrophobicContact CD1-CD2 3.57Å; L32-L48 HydrophobicContact CG-CD2 3.66Å; L32-P270 HydrophobicContact CD1-CB 3.97Å; L32-P270 HydrophobicContact CD1-CG 4.44Å
33	R	98.2	Very high	83.4	Confident	155 Å²	155	63 Å²	63	59%	0.585	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	115.9	170.6	-178.5	178.1	69.8	155.9	3.5	109.6	I35 C46 D47	R33-I35 HydrophobicContact CG-CD1 4.06Å; R33-I35 PolarHBondContact O-N 3.25Å; R33-C46 CarbonylContact O-C 3.42Å; R33-C46 WeakPolarHBondContact O-CA 3.43Å; R33-C46 WeakPolarHBondContact O-CB 3.45Å; R33-D47 HydrophobicContact CB-CB 4.44Å; R33-D47 IonicContact CZ-OD2 3.67Å; R33-D47 PolarHBondContact N-O 3.42Å; R33-D47 IonicContact NE-OD2 3.57Å; R33-D47 IonicContact NH2-OD2 3.28Å; R33-D47 PolarHBondContact NH2-OD2 2.93Å; R33-D47 PolarHBondContact O-N 3.18Å
34	I	98.5	Very high	86.3	Confident	38 Å²	38	58.8 Å²	58.8	20%	0.195	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	121.3	172.8	-57.4	173.6	0	0	0	108.3	L32 E37 R267	L32-I34 HydrophobicContact CD2-CD1 4.31Å; L32-I34 HydrophobicContact CD2-CG1 3.49Å; L32-I34 VanDerWaalsContact CD2-CG1 3.49Å; I34-E37 HydrophobicContact CG2-CG 3.62Å; I34-R267 HydrophobicContact CD1-CG 4.11Å
35	I	98.6	Very high	89.3	Confident	65 Å²	65	52.6 Å²	52.6	33%	0.333	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-44.8	179.3	-54.2	-58.3	0	0	0	110.5	R33 A45 D47 I379	R33-I35 HydrophobicContact CG-CD1 4.06Å; R33-I35 PolarHBondContact O-N 3.25Å; I35-A45 WeakPolarHBondContact CA-O 3.48Å; I35-A45 VanDerWaalsContact CB-O 3.29Å; I35-A45 WeakPolarHBondContact CB-O 3.34Å; I35-A45 PolarHBondContact N-O 2.68Å; I35-D47 HydrophobicContact CD1-CB 4.44Å; I35-D47 WeakPolarHBondContact CD1-OD2 3.48Å; I35-I379 HydrophobicContact CG2-CD1 4.32Å; I35-I379 HydrophobicContact CG2-CG1 4.29Å
36	A	98.8	Very high	92	Very high	22 Å²	22	47.9 Å²	47.9	18%	0.182	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	152.9	178.6	0	0	0	0	0	110.1	R44 A45 I378 I379	A36-R44 WeakPolarHBondContact O-CA 3.5Å; A36-A45 PolarHBondContact N-O 2.86Å; A36-A45 PolarHBondContact O-N 3.24Å; A36-I378 HydrophobicContact CB-CG2 4.31Å; A36-I379 HydrophobicContact CB-CB 4.46Å; A36-I379 HydrophobicContact CB-CG1 4.14Å
37	E	98.8	Very high	94.1	Very high	83 Å²	83	44 Å²	44	39%	0.388	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	143.7	171	-63.8	179.5	119.7	0	0	108.1	I34 R44 R267	I34-E37 HydrophobicContact CG2-CG 3.62Å; E37-R44 HydrophobicContact CG-CB 4.33Å; E37-R44 HydrophobicContact CG-CG 4.02Å; E37-R267 VanDerWaalsContact CD-NH2 3.26Å; E37-R267 IonicContact OE1-CZ 2.68Å; E37-R267 IonicContact OE1-NE 3.92Å; E37-R267 PolarHBondContact OE1-NE 2.86Å; E37-R267 IonicContact OE1-NH2 3.61Å; E37-R267 PolarHBondContact OE1-NH2 3.46Å; E37-R267 IonicContact OE2-CZ 3.68Å; E37-R267 IonicContact OE2-NE 2.71Å; E37-R267 IonicContact OE2-NH2 3.67Å; E37-R267 PolarHBondContact OE2-NH2 3.04Å
38	C	98.6	Very high	95.8	Very high	8 Å²	8	38.2 Å²	38.2	5%	0.054	21%	0.213	C	C	.	.			trans	-66.5	130.7	173.1	179.5	0	0	0	0	109	V40 T41 A43 F383	C38-V40 PolarHBondContact O-N 3.17Å; C38-T41 VanDerWaalsContact CB-OG1 3.27Å; C38-T41 WeakPolarHBondContact CB-OG1 3.37Å; C38-T41 VanDerWaalsContact O-O 3.12Å; C38-T41 PolarHBondContact SG-N 2.99Å; C38-T41 VanDerWaalsContact SG-N 3.42Å; C38-T41 PolarHBondContact SG-OG1 3.41Å; C38-A43 HydrophobicContact CB-CB 4Å; C38-A43 PolarHBondContact N-O 3.36Å; C38-F383 HydrophobicContact CB-CB 4.43Å
39	P	96.4	Very high	97.1	Very high	109 Å²	109	42.9 Å²	42.9	71%	0.708	23%	0.226	S	C	*	.	S	Bend	trans	-71.8	-9.3	179.5	27.8	-34.1	0	0	0	113.9
40	V	97.9	Very high	97.8	Very high	59 Å²	59	42 Å²	42	36%	0.358	22%	0.219	S	C	.	.	S	Bend	trans	-111.8	-36	-173.7	178.8	0	0	0	0	112.5	C38 P384 N413	C38-V40 PolarHBondContact O-N 3.17Å; V40-P384 HydrophobicContact CB-CG 3.83Å; V40-P384 HydrophobicContact CG1-CG 4.12Å; V40-P384 HydrophobicContact CG2-CG 4.03Å; V40-N413 HydrophobicContact CG1-CB 3.7Å; V40-N413 WeakPolarHBondContact CG1-O 3.27Å; V40-N413 PolarHBondContact O-ND2 3.14Å
41	T	98.6	Very high	97.9	Very high	15 Å²	15	44.5 Å²	44.5	9%	0.092	24%	0.236	C	C	.	.	S	Bend	trans	-117.4	-175.2	-173.6	72.9	0	0	0	0	111.2	C38 A43 F383 V412 I414	C38-T41 VanDerWaalsContact CB-OG1 3.27Å; C38-T41 WeakPolarHBondContact CB-OG1 3.37Å; C38-T41 VanDerWaalsContact O-O 3.12Å; C38-T41 PolarHBondContact SG-N 2.99Å; C38-T41 VanDerWaalsContact SG-N 3.42Å; C38-T41 PolarHBondContact SG-OG1 3.41Å; T41-A43 VanDerWaalsContact C-N 3.29Å; T41-A43 VanDerWaalsContact OG1-CB 3.29Å; T41-A43 WeakPolarHBondContact OG1-CB 3.32Å; T41-A43 PolarHBondContact OG1-N 3Å; T41-A43 VanDerWaalsContact OG1-N 3.13Å; T41-F383 HydrophobicContact CG2-CD1 4.29Å; T41-V412 HydrophobicContact CG2-CB 4.23Å; T41-V412 HydrophobicContact CG2-CG2 4.15Å; T41-V412 WeakPolarHBondContact CG2-O 3.38Å; T41-I414 HydrophobicContact CG2-CD1 3.42Å; T41-I414 VanDerWaalsContact CG2-CD1 3.42Å; T41-I414 HydrophobicContact CG2-CG1 3.67Å
42	K	98.6	Very high	98	Very high	55 Å²	55	46 Å²	46	24%	0.239	23%	0.234	C	C	.	.	S	Bend	trans	-88.4	5.6	173.8	-56.5	174.1	-172.8	173.9	0	112.9	R44 D263 A287 L288 G289 V412	K42-R44 WeakPolarHBondContact O-CG 3.43Å; K42-D263 WeakPolarHBondContact CE-OD1 3.33Å; K42-D263 IonicContact NZ-OD1 3.81Å; K42-D263 PolarHBondContact NZ-OD1 3.19Å; K42-D263 IonicContact NZ-OD2 2.8Å; K42-D263 PolarHBondContact NZ-OD2 3.29Å; K42-A287 WeakPolarHBondContact CB-O 3.35Å; K42-A287 PolarHBondContact N-O 2.68Å; K42-L288 WeakPolarHBondContact CD-O 3.45Å; K42-G289 VanDerWaalsContact O-CA 3.23Å; K42-G289 WeakPolarHBondContact O-CA 3.36Å; K42-V412 HydrophobicContact CD-CG1 4.24Å; K42-V412 HydrophobicContact CG-CG1 4.21Å
43	A	98.8	Very high	98	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.237	C	C	.	.			trans	-69.3	139.7	-175.1	0	0	0	0	0	112	C38 T41 V286 I378 F383	C38-A43 HydrophobicContact CB-CB 4Å; C38-A43 PolarHBondContact N-O 3.36Å; T41-A43 VanDerWaalsContact C-N 3.29Å; T41-A43 VanDerWaalsContact OG1-CB 3.29Å; T41-A43 WeakPolarHBondContact OG1-CB 3.32Å; T41-A43 PolarHBondContact OG1-N 3Å; T41-A43 VanDerWaalsContact OG1-N 3.13Å; A43-V286 VanDerWaalsContact CA-O 3.23Å; A43-V286 WeakPolarHBondContact CA-O 3.31Å; A43-V286 HydrophobicContact CB-CG1 4Å; A43-V286 WeakPolarHBondContact CB-O 3.36Å; A43-I378 HydrophobicContact CB-CD1 3.85Å; A43-I378 HydrophobicContact CB-CG1 4.03Å; A43-F383 HydrophobicContact CB-CD1 3.72Å; A43-F383 HydrophobicContact CB-CE1 3.65Å; A43-F383 HydrophobicContact CB-CG 4.23Å; A43-F383 HydrophobicContact CB-CZ 4.11Å
44	R	98.8	Very high	98	Very high	5 Å²	5	41.9 Å²	41.9	2%	0.019	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	144.9	-176.7	-43	-177.9	-61.4	159.3	-5	110.6	A36 E37 K42 R267 K269 D291	A36-R44 WeakPolarHBondContact O-CA 3.5Å; E37-R44 HydrophobicContact CG-CB 4.33Å; E37-R44 HydrophobicContact CG-CG 4.02Å; K42-R44 WeakPolarHBondContact O-CG 3.43Å; R44-R267 PolarHBondContact NH1-O 2.97Å; R44-K269 PolarHBondContact NH2-O 2.95Å; R44-D291 IonicContact CZ-OD1 3.55Å; R44-D291 IonicContact CZ-OD2 2.71Å; R44-D291 IonicContact NE-OD1 3.55Å; R44-D291 PolarHBondContact NE-OD1 3.35Å; R44-D291 VanDerWaalsContact NH2-CG 3.29Å; R44-D291 IonicContact NH2-OD1 3.74Å; R44-D291 PolarHBondContact NH2-OD1 3.43Å; R44-D291 VanDerWaalsContact NH2-OD1 3.13Å; R44-D291 IonicContact NH2-OD2 2.64Å; R44-D291 PolarHBondContact NH2-OD2 2.73Å
45	A	98.9	Very high	98	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.2	169.2	0	0	0	0	0	108	I35 A36 T57 R375 I378 I379	I35-A45 WeakPolarHBondContact CA-O 3.48Å; I35-A45 VanDerWaalsContact CB-O 3.29Å; I35-A45 WeakPolarHBondContact CB-O 3.34Å; I35-A45 PolarHBondContact N-O 2.68Å; A36-A45 PolarHBondContact N-O 2.86Å; A36-A45 PolarHBondContact O-N 3.24Å; A45-T57 WeakPolarHBondContact CA-O 3.34Å; A45-R375 HydrophobicContact CB-CG 3.88Å; A45-I378 HydrophobicContact CB-CB 4.19Å; A45-I378 HydrophobicContact CB-CG2 3.96Å; A45-I379 HydrophobicContact CB-CD1 4.29Å; A45-I379 HydrophobicContact CB-CG1 3.82Å
46	C	98.7	Very high	98	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	154.9	-175.9	-47.3	0	0	0	0	111.6	L32 R33 T57 R375	L32-C46 HydrophobicContact CD1-CB 4.43Å; L32-C46 HydrophobicContact CD2-CB 4.1Å; L32-C46 HydrophobicContact CG-CB 4.06Å; R33-C46 CarbonylContact O-C 3.42Å; R33-C46 WeakPolarHBondContact O-CA 3.43Å; R33-C46 WeakPolarHBondContact O-CB 3.45Å; C46-T57 WeakPolarHBondContact CA-OG1 3.17Å; C46-T57 WeakPolarHBondContact CB-OG1 3.49Å; C46-T57 PolarHBondContact N-O 3.33Å; C46-T57 PolarHBondContact N-OG1 3.29Å; C46-T57 PolarHBondContact O-N 3Å; C46-T57 PolarHBondContact O-OG1 3.2Å; C46-R375 PolarHBondContact O-NH1 3.25Å
47	D	98.6	Very high	98	Very high	24 Å²	24	37.6 Å²	37.6	13%	0.128	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	121.4	165.1	-70.8	-16.8	0	0	0	108.8	R33 I35 T54 R375	R33-D47 HydrophobicContact CB-CB 4.44Å; R33-D47 IonicContact CZ-OD2 3.67Å; R33-D47 PolarHBondContact N-O 3.42Å; R33-D47 IonicContact NE-OD2 3.57Å; R33-D47 IonicContact NH2-OD2 3.28Å; R33-D47 PolarHBondContact NH2-OD2 2.93Å; R33-D47 PolarHBondContact O-N 3.18Å; I35-D47 HydrophobicContact CD1-CB 4.44Å; I35-D47 WeakPolarHBondContact CD1-OD2 3.48Å; D47-T54 HydrophobicContact CB-CG2 3.76Å; D47-R375 IonicContact OD1-CZ 3.31Å; D47-R375 IonicContact OD1-NH1 3.34Å; D47-R375 IonicContact OD1-NH2 2.74Å; D47-R375 PolarHBondContact OD1-NH2 2.88Å
48	L	97.7	Very high	98	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	107.5	170.1	-55.2	177.1	0	0	0	108.1	L32 L50 T54 V55 T57 P270 M292	L32-L48 HydrophobicContact CB-CD2 3.83Å; L32-L48 HydrophobicContact CD1-CD2 3.57Å; L32-L48 HydrophobicContact CG-CD2 3.66Å; L48-L50 PolarHBondContact O-N 3.05Å; L48-T54 CarbonylContact O-C 3.49Å; L48-T54 WeakPolarHBondContact O-CA 3.37Å; L48-V55 HydrophobicContact CB-CB 4.25Å; L48-V55 PolarHBondContact N-O 3.42Å; L48-V55 PolarHBondContact O-N 3.38Å; L48-T57 HydrophobicContact CD1-CG2 3.54Å; L48-T57 HydrophobicContact CD2-CG2 4.5Å; L48-T57 HydrophobicContact CG-CG2 3.69Å; L48-P270 HydrophobicContact CD1-CB 4.26Å; L48-P270 HydrophobicContact CD2-CB 3.97Å; L48-P270 HydrophobicContact CD2-CG 4.34Å; L48-M292 HydrophobicContact CD1-CE 4.48Å; L48-M292 HydrophobicContact CD1-CG 4.19Å; L48-M292 HydrophobicContact CD1-SD 3.67Å
49	K	97.4	Very high	98	Very high	136 Å²	136	33.8 Å²	33.8	59%	0.591	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	119.1	169.8	-172.3	178.2	179.9	-176.3	0	107.9	L30 A31	L30-K49 WeakPolarHBondContact CA-O 3.44Å; A31-K49 HydrophobicContact CB-CB 4.35Å; A31-K49 PolarHBondContact N-O 3.26Å; A31-K49 PolarHBondContact O-N 3.4Å
50	L	97.1	Very high	98.1	Very high	10 Å²	10	28.6 Å²	28.6	5%	0.052	16%	0.155	C	C	.	.			trans	-123.6	165.6	175.3	-70.4	174.2	0	0	0	109.4	L30 L48 H52 C53 V55 I84 N116 D168 I169	L30-L50 HydrophobicContact CB-CD2 4.07Å; L30-L50 HydrophobicContact CD1-CD2 3.85Å; L30-L50 HydrophobicContact CG-CD2 4.01Å; L48-L50 PolarHBondContact O-N 3.05Å; L50-H52 PolarHBondContact O-N 2.97Å; L50-C53 PolarHBondContact N-O 3.02Å; L50-V55 HydrophobicContact CD1-CG2 3.87Å; L50-I84 HydrophobicContact CD1-CD1 4.05Å; L50-N116 WeakPolarHBondContact CB-OD1 3.15Å; L50-N116 HydrophobicContact CD1-CB 3.89Å; L50-D168 HydrophobicContact CB-CB 4.43Å; L50-D168 HydrophobicContact CD1-CB 4.4Å; L50-D168 HydrophobicContact CD2-CB 4.42Å; L50-I169 HydrophobicContact CD1-CD1 3.95Å; L50-I169 HydrophobicContact CD1-CG1 4.29Å; L50-I169 HydrophobicContact CD2-CD1 4.18Å; L50-I169 HydrophobicContact CD2-CG1 3.99Å
51	P	95.4	Very high	98.1	Very high	68 Å²	68	25.8 Å²	25.8	44%	0.442	14%	0.137	S	C	.	.	S	Bend	trans	-54	-41.6	-177	-25.8	30.4	0	0	0	115.3	P29 D168 R209	P29-P51 HydrophobicContact CB-CG 4.27Å; P51-D168 WeakPolarHBondContact CB-OD1 3.44Å; P51-D168 VanDerWaalsContact CD-OD1 3.3Å; P51-D168 WeakPolarHBondContact CD-OD1 3.46Å; P51-D168 WeakPolarHBondContact CG-OD1 3.41Å; P51-R209 VanDerWaalsContact CG-O 3.24Å; P51-R209 WeakPolarHBondContact CG-O 3.42Å
52	H	96.1	Very high	97.9	Very high	86 Å²	86	25.1 Å²	25.1	40%	0.398	13%	0.133	S	C	.	.	S	Bend	trans	-90.2	-40.1	-174.9	-68.7	87.5	0	0	0	114	L50 H108 N116 D168	L50-H52 PolarHBondContact O-N 2.97Å; H52-H108 AromaticContact CD2-CD2 3.94Å; H52-H108 AromaticContact CE1-CD2 3.82Å; H52-H108 AromaticContact CE1-CE1 3.3Å; H52-H108 PolarHBondContact CE1-CE1 2.88Å; H52-H108 AromaticContact CE1-CG 3.92Å; H52-H108 AromaticContact CE1-ND1 3.61Å; H52-H108 AromaticContact CE1-NE2 3.47Å; H52-H108 PolarHBondContact CE1-NE2 3.13Å; H52-H108 AromaticContact CG-NE2 3.86Å; H52-H108 AromaticContact ND1-CE1 3.63Å; H52-H108 AromaticContact ND1-NE2 3.47Å; H52-H108 PolarHBondContact ND1-NE2 3.44Å; H52-H108 AromaticContact NE2-CD2 3.75Å; H52-H108 AromaticContact NE2-CE1 3.95Å; H52-H108 AromaticContact NE2-CG 3.81Å; H52-H108 AromaticContact NE2-ND1 3.93Å; H52-H108 AromaticContact NE2-NE2 3.88Å; H52-N116 WeakPolarHBondContact CB-OD1 3.41Å; H52-N116 PolarHBondContact N-OD1 3.44Å; H52-N116 VanDerWaalsContact N-OD1 3.12Å; H52-D168 IonicContact CE1-OD1 2.75Å; H52-D168 IonicContact CG-OD1 3.28Å; H52-D168 PolarHBondContact N-OD1 3.39Å; H52-D168 IonicContact ND1-OD1 3.7Å; H52-D168 PolarHBondContact ND1-OD1 2.78Å; H52-D168 IonicContact ND1-OD2 3.81Å; H52-D168 PolarHBondContact ND1-OD2 3.35Å
53	C	96.9	Very high	97.6	Very high	32 Å²	32	23 Å²	23	22%	0.216	13%	0.125	C	C	.	.			trans	-160.6	169.3	168.6	68.6	0	0	0	0	113	L50 N116	L50-C53 PolarHBondContact N-O 3.02Å; C53-N116 PolarHBondContact N-ND2 3.25Å; C53-N116 PolarHBondContact N-OD1 2.85Å; C53-N116 PolarHBondContact O-ND2 3.25Å; C53-N116 PolarHBondContact O-OD1 2.94Å; C53-N116 PolarHBondContact SG-ND2 3.28Å
54	T	98.1	Very high	96.8	Very high	65 Å²	65	23.2 Å²	23.2	40%	0.399	13%	0.127	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	135.8	169.2	-59.9	0	0	0	0	111	D47 L48 Q83	D47-T54 HydrophobicContact CB-CG2 3.76Å; L48-T54 CarbonylContact O-C 3.49Å; L48-T54 WeakPolarHBondContact O-CA 3.37Å; T54-Q83 PolarHBondContact O-NE2 3.07Å; T54-Q83 VanDerWaalsContact O-NE2 3.14Å
55	V	98.6	Very high	95.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.7	173.2	-179.7	0	0	0	0	109.9	L48 L50 V59 Q83 I84 N116	L48-V55 HydrophobicContact CB-CB 4.25Å; L48-V55 PolarHBondContact N-O 3.42Å; L48-V55 PolarHBondContact O-N 3.38Å; L50-V55 HydrophobicContact CD1-CG2 3.87Å; V55-V59 HydrophobicContact CG1-CB 4.02Å; V55-V59 HydrophobicContact CG1-CG1 3.93Å; V55-V59 HydrophobicContact CG1-CG2 3.88Å; V55-Q83 HydrophobicContact CB-CB 4.49Å; V55-Q83 HydrophobicContact CG1-CB 4.36Å; V55-Q83 HydrophobicContact CG2-CB 4.14Å; V55-I84 HydrophobicContact CB-CG2 4.38Å; V55-I84 HydrophobicContact CG1-CG2 3.6Å; V55-I84 HydrophobicContact CG2-CB 3.92Å; V55-I84 HydrophobicContact CG2-CG2 3.8Å; V55-N116 VanDerWaalsContact CG2-ND2 3.3Å; V55-N116 WeakPolarHBondContact CG2-ND2 3.45Å
56	S	98.8	Very high	94.3	Very high	35 Å²	35	29.2 Å²	29.2	25%	0.245	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.5	176.4	-60.6	0	0	0	0	110.2	Q83	S56-Q83 PolarHBondContact OG-NE2 3.36Å
57	T	98.8	Very high	92.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-101.9	154.4	177.3	72.1	0	0	0	0	112.7	A45 C46 L48 V59 D291 M292 R375	A45-T57 WeakPolarHBondContact CA-O 3.34Å; C46-T57 WeakPolarHBondContact CA-OG1 3.17Å; C46-T57 WeakPolarHBondContact CB-OG1 3.49Å; C46-T57 PolarHBondContact N-O 3.33Å; C46-T57 PolarHBondContact N-OG1 3.29Å; C46-T57 PolarHBondContact O-N 3Å; C46-T57 PolarHBondContact O-OG1 3.2Å; L48-T57 HydrophobicContact CD1-CG2 3.54Å; L48-T57 HydrophobicContact CD2-CG2 4.5Å; L48-T57 HydrophobicContact CG-CG2 3.69Å; T57-V59 HydrophobicContact CG2-CG1 4.3Å; T57-D291 WeakPolarHBondContact CB-O 3.41Å; T57-D291 HydrophobicContact CG2-CB 4.25Å; T57-M292 HydrophobicContact CG2-CG 4.49Å; T57-R375 VanDerWaalsContact N-NH1 3.17Å; T57-R375 WeakPolarHBondContact O-CG 3.41Å; T57-R375 PolarHBondContact O-NH1 3.48Å
58	P	98.8	Very high	92	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.013	18%	0.175	C	C	.	.	S	Bend	cis	-63.4	143.5	-2.5	28.4	-37.6	0	0	0	112.8	V286 D291 F293 M371 M374 I378	P58-V286 HydrophobicContact CB-CG1 4.36Å; P58-V286 HydrophobicContact CB-CG2 3.57Å; P58-V286 HydrophobicContact CG-CG1 4.03Å; P58-V286 HydrophobicContact CG-CG2 3.95Å; P58-D291 CarbonylContact C-O 3.43Å; P58-D291 WeakPolarHBondContact CA-O 3.45Å; P58-F293 HydrophobicContact CB-CE2 4.43Å; P58-M371 HydrophobicContact CB-SD 3.89Å; P58-M371 HydrophobicContact CG-SD 4.35Å; P58-M371 WeakPolarHBondContact O-CB 3.15Å; P58-M374 HydrophobicContact CG-CB 4.06Å; P58-M374 HydrophobicContact CG-CE 4.38Å; P58-I378 HydrophobicContact CG-CD1 4.48Å
59	V	98.8	Very high	91.1	Very high	8 Å²	8	31.9 Å²	31.9	5%	0.048	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	142.7	-175.6	68.4	0	0	0	0	112	V55 T57 I84 D291 M292 F293	V55-V59 HydrophobicContact CG1-CB 4.02Å; V55-V59 HydrophobicContact CG1-CG1 3.93Å; V55-V59 HydrophobicContact CG1-CG2 3.88Å; T57-V59 HydrophobicContact CG2-CG1 4.3Å; V59-I84 HydrophobicContact CG1-CG2 4.43Å; V59-I84 HydrophobicContact CG2-CG2 3.92Å; V59-D291 PolarHBondContact N-O 2.89Å; V59-M292 HydrophobicContact CG1-CB 4.09Å; V59-M292 HydrophobicContact CG1-CG 3.84Å; V59-F293 PolarHBondContact O-N 2.76Å
60	F	98.7	Very high	90.4	Very high	1 Å²	1	30.4 Å²	30.4	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	127.7	169.6	-176.5	-91	0	0	0	109.1	P62 L282 F293 C295 P298 Q367 M371	F60-P62 HydrophobicContact CD1-CG 4.42Å; F60-P62 WeakPolarHBondContact O-CD 3.42Å; F60-L282 HydrophobicContact CD2-CD1 4.17Å; F60-L282 HydrophobicContact CD2-CD2 4.28Å; F60-F293 CarbonylContact C-O 3.56Å; F60-F293 WeakPolarHBondContact CA-O 3.3Å; F60-F293 HydrophobicContact CD2-CB 4.15Å; F60-C295 HydrophobicContact CE2-CB 3.87Å; F60-C295 HydrophobicContact CZ-CB 3.91Å; F60-C295 WeakPolarHBondContact CZ-O 3.42Å; F60-P298 HydrophobicContact CE1-CG 3.71Å; F60-P298 HydrophobicContact CZ-CG 3.75Å; F60-Q367 HydrophobicContact CB-CB 4.31Å; F60-Q367 HydrophobicContact CD1-CB 3.68Å; F60-Q367 HydrophobicContact CD1-CG 4.18Å; F60-Q367 HydrophobicContact CE1-CB 4.13Å; F60-Q367 HydrophobicContact CE1-CG 4.13Å; F60-Q367 HydrophobicContact CG-CB 3.9Å; F60-Q367 HydrophobicContact CG-CG 4.48Å; F60-Q367 HydrophobicContact CZ-CG 4.37Å; F60-M371 HydrophobicContact CB-CE 4.04Å; F60-M371 HydrophobicContact CB-CG 3.72Å; F60-M371 HydrophobicContact CB-SD 4.46Å
61	M	98.1	Very high	89.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	108.9	-179.7	-67.3	176	-65.5	0	0	109.5	I84 L118 Y272 M292 F293 D294	M61-I84 HydrophobicContact CG-CG1 4.26Å; M61-I84 HydrophobicContact CG-CG2 3.8Å; M61-I84 HydrophobicContact SD-CD1 3.96Å; M61-I84 HydrophobicContact SD-CG1 3.99Å; M61-I84 HydrophobicContact SD-CG2 4.26Å; M61-L118 HydrophobicContact CE-CD1 4.02Å; M61-L118 HydrophobicContact SD-CB 4.08Å; M61-L118 HydrophobicContact SD-CD1 3.97Å; M61-Y272 HydrophobicContact CE-CD2 3.8Å; M61-Y272 HydrophobicContact CE-CE1 4.29Å; M61-Y272 HydrophobicContact CE-CE2 3.46Å; M61-Y272 VanDerWaalsContact CE-CE2 3.46Å; M61-Y272 HydrophobicContact CE-CG 4.4Å; M61-M292 HydrophobicContact CE-CB 4.14Å; M61-M292 HydrophobicContact CE-CE 3.9Å; M61-M292 HydrophobicContact SD-CE 3.75Å; M61-F293 WeakPolarHBondContact CB-O 3.3Å; M61-F293 WeakPolarHBondContact CE-O 3.39Å; M61-F293 PolarHBondContact N-O 2.72Å; M61-D294 HydrophobicContact CB-CB 4.07Å; M61-D294 HydrophobicContact CE-CB 4.21Å; M61-D294 WeakPolarHBondContact O-CA 3.47Å
62	P	95.4	Very high	89.6	Confident	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	141.3	170.7	-20.1	34.4	0	0	0	110.6	F60 M69 L77 C85 L86 I364	F60-P62 HydrophobicContact CD1-CG 4.42Å; F60-P62 WeakPolarHBondContact O-CD 3.42Å; P62-M69 VanDerWaalsContact C-SD 3.53Å; P62-M69 HydrophobicContact CB-CE 3.23Å; P62-M69 HydrophobicContact CB-SD 3.71Å; P62-L77 HydrophobicContact CG-CD1 4.29Å; P62-C85 WeakPolarHBondContact O-CB 3.44Å; P62-L86 PolarHBondContact O-N 2.92Å; P62-I364 HydrophobicContact CB-CD1 4.41Å; P62-I364 HydrophobicContact CG-CG2 3.9Å
63	V	92.1	Very high	89.5	Confident	12 Å²	12	28.7 Å²	28.7	7%	0.073	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	115.7	-175.4	178.9	0	0	0	0	112.9	M69 L86 D294 V296	V63-M69 VanDerWaalsContact O-CE 3.24Å; V63-M69 WeakPolarHBondContact O-CE 3.26Å; V63-L86 HydrophobicContact CG1-CD2 3.97Å; V63-L86 HydrophobicContact CG2-CB 4.29Å; V63-D294 HydrophobicContact CG2-CB 4.27Å; V63-V296 HydrophobicContact CB-CG1 4Å; V63-V296 HydrophobicContact CG1-CG1 4Å; V63-V296 HydrophobicContact CG2-CG1 4.22Å
64	G	82.2	Confident	89.3	Confident	3 Å²	3	28.7 Å²	28.7	3%	0.031	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	105.9	174.3	0	0	0	0	0	111.4	T68 M69 L86 N88	G64-T68 WeakPolarHBondContact CA-O 3.46Å; G64-M69 VanDerWaalsContact CA-SD 3.6Å; G64-M69 PolarHBondContact N-SD 3.2Å; G64-L86 WeakPolarHBondContact CA-O 3.13Å; G64-L86 PolarHBondContact N-O 3.36Å; G64-N88 PolarHBondContact O-N 3.05Å; G64-N88 VanDerWaalsContact O-N 3.17Å
65	T	73.5	Confident	89.2	Confident	27 Å²	27	30.6 Å²	30.6	17%	0.166	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-36.1	-171.7	-48.4	0	0	0	0	113.4	T68 H91	T65-T68 PolarHBondContact N-O 3.3Å; T65-H91 WeakPolarHBondContact CG2-CD2 3.45Å; T65-H91 WeakPolarHBondContact CG2-NE2 3.43Å; T65-H91 WeakPolarHBondContact O-CB 3.35Å
66	Q	70.7	Confident	89.1	Confident	104 Å²	104	33.3 Å²	33.3	49%	0.486	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.8	47.6	-176.8	-74.3	-175.3	-33.5	0	0	111	T68 H91	Q66-T68 PolarHBondContact O-N 2.84Å; Q66-H91 HydrophobicContact CG-CB 4.01Å
67	G	67.6	Low	88.9	Confident	13 Å²	13	31.9 Å²	31.9	13%	0.134	18%	0.184	C	C	.	.	S	Bend	trans	68	18.7	-174.8	0	0	0	0	0	113.1	M111	G67-M111 WeakPolarHBondContact CA-SD 3.47Å; G67-M111 VanDerWaalsContact O-CE 3.28Å; G67-M111 WeakPolarHBondContact O-CE 3.49Å; G67-M111 VanDerWaalsContact O-CG 3.27Å; G67-M111 WeakPolarHBondContact O-CG 3.39Å
68	T	80.4	Confident	88.7	Confident	61 Å²	61	34.8 Å²	34.8	37%	0.374	20%	0.2	S	C	.	.	S	Bend	trans	-151.3	145.4	172.8	178.4	0	0	0	0	110.7	G64 T65 Q66 K70	G64-T68 WeakPolarHBondContact CA-O 3.46Å; T65-T68 PolarHBondContact N-O 3.3Å; Q66-T68 PolarHBondContact O-N 2.84Å; T68-K70 PolarHBondContact O-N 3.47Å
69	M	80.1	Confident	88.6	Confident	7 Å²	7	40.9 Å²	40.9	3%	0.034	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-80.8	59.8	173.5	-71	-59.5	-47.5	0	0	110.5	P62 V63 G64 G71 I72 L77 T299 I364	P62-M69 VanDerWaalsContact C-SD 3.53Å; P62-M69 HydrophobicContact CB-CE 3.23Å; P62-M69 HydrophobicContact CB-SD 3.71Å; V63-M69 VanDerWaalsContact O-CE 3.24Å; V63-M69 WeakPolarHBondContact O-CE 3.26Å; G64-M69 VanDerWaalsContact CA-SD 3.6Å; G64-M69 PolarHBondContact N-SD 3.2Å; M69-G71 PolarHBondContact O-N 2.99Å; M69-I72 HydrophobicContact CB-CB 3.89Å; M69-I72 HydrophobicContact CB-CG1 4.39Å; M69-I72 WeakPolarHBondContact O-CB 3.22Å; M69-I72 WeakPolarHBondContact O-CG1 3.44Å; M69-I72 PolarHBondContact O-N 3.09Å; M69-L77 HydrophobicContact CG-CD2 3.84Å; M69-T299 HydrophobicContact CE-CG2 3.68Å; M69-I364 HydrophobicContact CE-CD1 4.09Å
70	K	81.6	Confident	88.5	Confident	105 Å²	105	41.1 Å²	41.1	46%	0.457	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	30	68.8	176.8	-64.9	-167.7	178.7	-169.4	0	114.7	T68	T68-K70 PolarHBondContact O-N 3.47Å
71	G	83.7	Confident	88.4	Confident	52 Å²	52	42.9 Å²	42.9	54%	0.536	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.4	-13.4	176.3	0	0	0	0	0	114.7	M69 H357	M69-G71 PolarHBondContact O-N 2.99Å; G71-H357 PolarHBondContact O-CE1 2.84Å; G71-H357 PolarHBondContact O-ND1 3.26Å
72	I	93.8	Very high	88.4	Confident	6 Å²	6	42.9 Å²	42.9	3%	0.031	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-88.8	133.3	175.7	-51.5	-48.9	0	0	0	110.6	M69 Q76 L77 H357 T360 I361 I364	M69-I72 HydrophobicContact CB-CB 3.89Å; M69-I72 HydrophobicContact CB-CG1 4.39Å; M69-I72 WeakPolarHBondContact O-CB 3.22Å; M69-I72 WeakPolarHBondContact O-CG1 3.44Å; M69-I72 PolarHBondContact O-N 3.09Å; I72-Q76 HydrophobicContact CG2-CB 3.77Å; I72-L77 HydrophobicContact CG2-CB 4.4Å; I72-H357 WeakPolarHBondContact CD1-ND1 3.47Å; I72-T360 HydrophobicContact CD1-CG2 3.86Å; I72-T360 HydrophobicContact CG1-CG2 3.65Å; I72-I361 HydrophobicContact CD1-CD1 4.34Å; I72-I361 HydrophobicContact CD1-CG1 3.54Å; I72-I364 HydrophobicContact CG1-CD1 4.35Å
73	T	93.9	Very high	88.5	Confident	70 Å²	70	45 Å²	45	43%	0.429	26%	0.261	S	S	.	.			trans	-78.8	160.7	175.2	70	0	0	0	0	111.4	D75 Q76 L77	T73-D75 VanDerWaalsContact C-N 3.33Å; T73-D75 PolarHBondContact O-N 2.54Å; T73-Q76 PolarHBondContact O-N 3.47Å; T73-Q76 WeakPolarHBondContact OG1-CB 3.33Å; T73-Q76 VanDerWaalsContact OG1-CG 3.25Å; T73-Q76 WeakPolarHBondContact OG1-CG 3.33Å; T73-Q76 PolarHBondContact OG1-N 3.42Å; T73-Q76 PolarHBondContact OG1-OE1 3.19Å; T73-L77 PolarHBondContact O-N 2.69Å; T73-L77 VanDerWaalsContact O-N 3.11Å
74	V	92.8	Very high	88.8	Confident	32 Å²	32	44.5 Å²	44.5	19%	0.194	26%	0.258	C	S	.	.	H	α-helix	trans	-56.8	-47.4	173.4	157.5	0	0	0	0	111.5	Q76 L77 D78 M111 N112 W113	V74-Q76 VanDerWaalsContact C-N 3.3Å; V74-Q76 PolarHBondContact O-N 2.78Å; V74-L77 WeakPolarHBondContact O-CB 3.23Å; V74-L77 PolarHBondContact O-N 3.05Å; V74-D78 WeakPolarHBondContact O-CB 3.13Å; V74-D78 PolarHBondContact O-N 3.46Å; V74-M111 VanDerWaalsContact CG2-O 3.22Å; V74-M111 WeakPolarHBondContact CG2-O 3.35Å; V74-N112 WeakPolarHBondContact CG1-O 3.19Å; V74-W113 HydrophobicContact CB-CE3 4.35Å; V74-W113 HydrophobicContact CG1-CE3 3.75Å; V74-W113 HydrophobicContact CG1-CZ3 4.26Å; V74-W113 HydrophobicContact CG2-CB 4.38Å; V74-W113 HydrophobicContact CG2-CE3 4.1Å
75	D	95.2	Very high	89.5	Confident	105 Å²	105	44.5 Å²	44.5	56%	0.561	26%	0.257	S	S	*	.	H	α-helix	trans	-61.1	-40.7	-178.1	-59	-23.9	0	0	0	111.5	T73 L77 D78 D79	T73-D75 VanDerWaalsContact C-N 3.33Å; T73-D75 PolarHBondContact O-N 2.54Å; D75-L77 VanDerWaalsContact C-N 3.31Å; D75-L77 PolarHBondContact O-N 3.16Å; D75-D78 PolarHBondContact O-N 2.71Å; D75-D79 WeakPolarHBondContact O-CB 3.32Å; D75-D79 VanDerWaalsContact O-CG 3.24Å; D75-D79 PolarHBondContact O-N 2.64Å
76	Q	96.3	Very high	90.5	Very high	56 Å²	56	43.4 Å²	43.4	26%	0.262	25%	0.251	S	S	.	.	H	α-helix	trans	-63	-38.3	175.3	-74.6	167.5	-17.7	0	0	112.1	I72 T73 V74 L80 H357	I72-Q76 HydrophobicContact CG2-CB 3.77Å; T73-Q76 PolarHBondContact O-N 3.47Å; T73-Q76 WeakPolarHBondContact OG1-CB 3.33Å; T73-Q76 VanDerWaalsContact OG1-CG 3.25Å; T73-Q76 WeakPolarHBondContact OG1-CG 3.33Å; T73-Q76 PolarHBondContact OG1-N 3.42Å; T73-Q76 PolarHBondContact OG1-OE1 3.19Å; V74-Q76 VanDerWaalsContact C-N 3.3Å; V74-Q76 PolarHBondContact O-N 2.78Å; Q76-L80 VanDerWaalsContact O-CG 3.28Å; Q76-L80 WeakPolarHBondContact O-CG 3.23Å; Q76-L80 PolarHBondContact O-N 3.29Å; Q76-H357 PolarHBondContact NE2-NE2 2.79Å; Q76-H357 VanDerWaalsContact NE2-NE2 3.2Å; Q76-H357 PolarHBondContact OE1-CE1 2.85Å
77	L	95.1	Very high	91.5	Very high	5 Å²	5	38.6 Å²	38.6	3%	0.026	23%	0.229	C	C	.	.	H	α-helix	trans	-72.1	-36.6	178.3	-169.2	64.4	0	0	0	111.7	P62 M69 I72 T73 V74 D75 L80 C82 C85 W113 I364	P62-L77 HydrophobicContact CG-CD1 4.29Å; M69-L77 HydrophobicContact CG-CD2 3.84Å; I72-L77 HydrophobicContact CG2-CB 4.4Å; T73-L77 PolarHBondContact O-N 2.69Å; T73-L77 VanDerWaalsContact O-N 3.11Å; V74-L77 WeakPolarHBondContact O-CB 3.23Å; V74-L77 PolarHBondContact O-N 3.05Å; D75-L77 VanDerWaalsContact C-N 3.31Å; D75-L77 PolarHBondContact O-N 3.16Å; L77-L80 PolarHBondContact O-N 3.16Å; L77-C82 HydrophobicContact CD1-CB 3.8Å; L77-C82 HydrophobicContact CD2-CB 4.45Å; L77-C82 HydrophobicContact CG-CB 3.66Å; L77-C82 VanDerWaalsContact O-CB 3.27Å; L77-C82 WeakPolarHBondContact O-CB 3.29Å; L77-C82 PolarHBondContact O-N 3.33Å; L77-C85 HydrophobicContact CD2-CB 4.38Å; L77-W113 HydrophobicContact CB-CH2 4.48Å; L77-W113 HydrophobicContact CB-CZ3 4.12Å; L77-W113 HydrophobicContact CD2-CH2 3.91Å; L77-W113 HydrophobicContact CD2-CZ2 4.47Å; L77-W113 HydrophobicContact CD2-CZ3 3.95Å; L77-W113 HydrophobicContact CG-CH2 4.04Å; L77-W113 HydrophobicContact CG-CZ3 4.14Å; L77-I364 HydrophobicContact CD1-CD1 4.43Å; L77-I364 HydrophobicContact CD1-CG2 4.05Å
78	D	94.9	Very high	92.4	Very high	62 Å²	62	38.2 Å²	38.2	33%	0.332	22%	0.224	S	C	.	.	H	α-helix	trans	-64.4	-46	174.7	-169	51.5	0	0	0	111.7	V74 D75 L80 G81 W113 R115	V74-D78 WeakPolarHBondContact O-CB 3.13Å; V74-D78 PolarHBondContact O-N 3.46Å; D75-D78 PolarHBondContact O-N 2.71Å; D78-L80 PolarHBondContact O-N 2.74Å; D78-G81 WeakPolarHBondContact O-CA 3.39Å; D78-G81 PolarHBondContact O-N 3.12Å; D78-W113 HydrophobicContact CB-CZ3 4.43Å; D78-R115 IonicContact OD1-CZ 3.02Å; D78-R115 IonicContact OD1-NE 3.67Å; D78-R115 PolarHBondContact OD1-NE 2.86Å; D78-R115 IonicContact OD1-NH2 3.6Å; D78-R115 PolarHBondContact OD1-NH2 2.87Å
79	D	96.3	Very high	92.5	Very high	129 Å²	129	35.4 Å²	35.4	69%	0.69	21%	0.206	S	C	*	.	H	α-helix	trans	-59.6	-29.5	176.2	-78.5	-16.2	0	0	0	112.7	D75 G81	D75-D79 WeakPolarHBondContact O-CB 3.32Å; D75-D79 VanDerWaalsContact O-CG 3.24Å; D75-D79 PolarHBondContact O-N 2.64Å; D79-G81 PolarHBondContact O-N 3.28Å
80	L	96.9	Very high	92.4	Very high	13 Å²	13	35.3 Å²	35.3	7%	0.068	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-6.3	174.2	-67.7	179.2	0	0	0	113.2	Q76 L77 D78 I361 I364 L368	Q76-L80 VanDerWaalsContact O-CG 3.28Å; Q76-L80 WeakPolarHBondContact O-CG 3.23Å; Q76-L80 PolarHBondContact O-N 3.29Å; L77-L80 PolarHBondContact O-N 3.16Å; D78-L80 PolarHBondContact O-N 2.74Å; L80-I361 HydrophobicContact CD1-CG2 4.27Å; L80-I361 HydrophobicContact CD2-CG2 4.29Å; L80-I364 HydrophobicContact CD1-CB 4.14Å; L80-I364 HydrophobicContact CD1-CG2 3.83Å; L80-L368 HydrophobicContact CB-CD1 3.99Å
81	G	96.4	Very high	92.3	Very high	38 Å²	38	31.5 Å²	31.5	39%	0.392	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	23.2	-179	0	0	0	0	0	113.7	D78 D79 Q83	D78-G81 WeakPolarHBondContact O-CA 3.39Å; D78-G81 PolarHBondContact O-N 3.12Å; D79-G81 PolarHBondContact O-N 3.28Å; G81-Q83 PolarHBondContact O-N 3.14Å
82	C	97.1	Very high	92.1	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.			trans	-65.5	122.5	175.9	-177	0	0	0	0	110	L77 I84 W113 R115 L368	L77-C82 HydrophobicContact CD1-CB 3.8Å; L77-C82 HydrophobicContact CD2-CB 4.45Å; L77-C82 HydrophobicContact CG-CB 3.66Å; L77-C82 VanDerWaalsContact O-CB 3.27Å; L77-C82 WeakPolarHBondContact O-CB 3.29Å; L77-C82 PolarHBondContact O-N 3.33Å; C82-I84 PolarHBondContact SG-O 3.46Å; C82-W113 HydrophobicContact CB-CH2 4.21Å; C82-W113 WeakPolarHBondContact O-CH2 3.48Å; C82-R115 WeakPolarHBondContact O-CD 3.31Å; C82-R115 PolarHBondContact O-NE 2.84Å; C82-L368 HydrophobicContact CB-CD1 3.96Å
83	Q	97.8	Very high	91.1	Very high	46 Å²	46	29.4 Å²	29.4	22%	0.215	17%	0.17	C	C	.	.			trans	-96.2	-22.8	-176.6	-66.9	171.9	-53.4	0	0	113.9	T54 V55 S56 G81 R115 N116	T54-Q83 PolarHBondContact O-NE2 3.07Å; T54-Q83 VanDerWaalsContact O-NE2 3.14Å; V55-Q83 HydrophobicContact CB-CB 4.49Å; V55-Q83 HydrophobicContact CG1-CB 4.36Å; V55-Q83 HydrophobicContact CG2-CB 4.14Å; S56-Q83 PolarHBondContact OG-NE2 3.36Å; G81-Q83 PolarHBondContact O-N 3.14Å; Q83-R115 WeakPolarHBondContact O-CB 3.39Å; Q83-N116 PolarHBondContact O-N 3.02Å; Q83-N116 PolarHBondContact O-ND2 2.84Å
84	I	98.2	Very high	90.1	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	140.4	-178.5	-179.6	165.6	0	0	0	109	L50 V55 V59 M61 C82 N116 L118 I169 M292	L50-I84 HydrophobicContact CD1-CD1 4.05Å; V55-I84 HydrophobicContact CB-CG2 4.38Å; V55-I84 HydrophobicContact CG1-CG2 3.6Å; V55-I84 HydrophobicContact CG2-CB 3.92Å; V55-I84 HydrophobicContact CG2-CG2 3.8Å; V59-I84 HydrophobicContact CG1-CG2 4.43Å; V59-I84 HydrophobicContact CG2-CG2 3.92Å; M61-I84 HydrophobicContact CG-CG1 4.26Å; M61-I84 HydrophobicContact CG-CG2 3.8Å; M61-I84 HydrophobicContact SD-CD1 3.96Å; M61-I84 HydrophobicContact SD-CG1 3.99Å; M61-I84 HydrophobicContact SD-CG2 4.26Å; C82-I84 PolarHBondContact SG-O 3.46Å; I84-N116 WeakPolarHBondContact CA-O 3.33Å; I84-N116 HydrophobicContact CB-CB 4.12Å; I84-N116 HydrophobicContact CD1-CB 4.08Å; I84-N116 HydrophobicContact CG1-CB 4.05Å; I84-L118 HydrophobicContact CD1-CB 4.25Å; I84-I169 HydrophobicContact CD1-CD1 4.03Å; I84-M292 HydrophobicContact CD1-CE 4.48Å
85	C	96.4	Very high	89.4	Confident	2 Å²	2	33.6 Å²	33.6	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	163.2	173.6	61.1	0	0	0	0	110.8	P62 L77 N116 L117 L118	P62-C85 WeakPolarHBondContact O-CB 3.44Å; L77-C85 HydrophobicContact CD2-CB 4.38Å; C85-N116 PolarHBondContact N-O 3.14Å; C85-L117 WeakPolarHBondContact O-CA 3.4Å; C85-L117 WeakPolarHBondContact SG-CD2 3.27Å; C85-L118 PolarHBondContact O-N 3.22Å
86	L	95.8	Very high	88.5	Confident	4 Å²	4	31.1 Å²	31.1	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	123.9	-178.3	-172.3	154.8	0	0	0	110	P62 V63 G64 L118 Y272 D294	P62-L86 PolarHBondContact O-N 2.92Å; V63-L86 HydrophobicContact CG1-CD2 3.97Å; V63-L86 HydrophobicContact CG2-CB 4.29Å; G64-L86 WeakPolarHBondContact CA-O 3.13Å; G64-L86 PolarHBondContact N-O 3.36Å; L86-L118 CarbonylContact C-O 3.57Å; L86-L118 VanDerWaalsContact CA-O 3.25Å; L86-L118 WeakPolarHBondContact CA-O 3.25Å; L86-L118 HydrophobicContact CD1-CD2 3.71Å; L86-L118 HydrophobicContact CG-CD2 3.88Å; L86-Y272 WeakPolarHBondContact CD1-OH 3.49Å; L86-D294 HydrophobicContact CD1-CB 3.93Å
87	G	91.5	Very high	87.7	Confident	3 Å²	3	29 Å²	29	3%	0.031	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	132.5	167.2	0	0	0	0	0	110.8	T89 L118 T119 D120	G87-T89 PolarHBondContact O-N 2.89Å; G87-L118 PolarHBondContact N-O 3.33Å; G87-T119 WeakPolarHBondContact O-CA 3Å; G87-D120 PolarHBondContact O-N 3.15Å
88	N	86.2	Confident	86.8	Confident	5 Å²	5	31.1 Å²	31.1	3%	0.027	17%	0.174	C	C	.	.			trans	-82.7	115.7	178.2	-176.2	-90.5	0	0	0	111.8	G64 Y90 H91 L92 D120 Q125	G64-N88 PolarHBondContact O-N 3.05Å; G64-N88 VanDerWaalsContact O-N 3.17Å; N88-Y90 PolarHBondContact O-N 2.94Å; N88-Y90 WeakPolarHBondContact OD1-CB 3.48Å; N88-Y90 PolarHBondContact OD1-N 2.87Å; N88-H91 PolarHBondContact OD1-CD2 3.25Å; N88-H91 PolarHBondContact OD1-N 3.14Å; N88-L92 WeakPolarHBondContact O-CB 3.36Å; N88-L92 WeakPolarHBondContact O-CD1 3.41Å; N88-L92 VanDerWaalsContact O-CG 3.27Å; N88-L92 WeakPolarHBondContact O-CG 3.32Å; N88-L92 PolarHBondContact O-N 3.41Å; N88-D120 PolarHBondContact ND2-OD2 3.21Å; N88-Q125 WeakPolarHBondContact ND2-CG 3.46Å; N88-Q125 PolarHBondContact ND2-NE2 3.38Å
89	T	82.1	Confident	86.3	Confident	2 Å²	2	35.1 Å²	35.1	1%	0.012	19%	0.191	C	C	.	.	H	α-helix	trans	-65	-39.9	-176.1	-69.8	0	0	0	0	112.1	G87 H91 L92 G93 T119 D120 I161 Q162 L165	G87-T89 PolarHBondContact O-N 2.89Å; T89-H91 PolarHBondContact O-N 3.38Å; T89-L92 PolarHBondContact O-N 2.75Å; T89-G93 WeakPolarHBondContact O-CA 3.23Å; T89-G93 PolarHBondContact O-N 3.33Å; T89-T119 WeakPolarHBondContact OG1-CB 3.27Å; T89-D120 WeakPolarHBondContact CB-O 3.38Å; T89-D120 WeakPolarHBondContact CB-OD1 3.36Å; T89-D120 PolarHBondContact N-OD1 3.11Å; T89-D120 PolarHBondContact OG1-O 3.06Å; T89-I161 HydrophobicContact CG2-CB 4.15Å; T89-I161 HydrophobicContact CG2-CG2 3.63Å; T89-Q162 HydrophobicContact CG2-CG 3.97Å; T89-L165 HydrophobicContact CG2-CD1 4.27Å
90	Y	78.6	Confident	85.9	Confident	5 Å²	5	33 Å²	33	2%	0.02	18%	0.179	C	C	.	.	H	α-helix	trans	-58.7	-53.3	-178.4	167.9	-113.2	0	0	0	112	N88 M94 Q125 M126 F142 P145 Y146	N88-Y90 PolarHBondContact O-N 2.94Å; N88-Y90 WeakPolarHBondContact OD1-CB 3.48Å; N88-Y90 PolarHBondContact OD1-N 2.87Å; Y90-M94 HydrophobicContact CD2-CG 4.3Å; Y90-M94 HydrophobicContact CE2-CG 4.13Å; Y90-M94 WeakPolarHBondContact O-CB 3.36Å; Y90-M94 VanDerWaalsContact O-CG 3.24Å; Y90-M94 WeakPolarHBondContact O-CG 3.4Å; Y90-M94 PolarHBondContact O-N 2.69Å; Y90-Q125 HydrophobicContact CD1-CB 4.05Å; Y90-Q125 HydrophobicContact CG-CB 4.32Å; Y90-M126 HydrophobicContact CD2-CE 3.36Å; Y90-M126 HydrophobicContact CD2-CG 3.87Å; Y90-M126 HydrophobicContact CD2-SD 4.5Å; Y90-M126 HydrophobicContact CE2-CE 3.94Å; Y90-M126 HydrophobicContact CE2-CG 4.01Å; Y90-M126 HydrophobicContact CG-CE 4.32Å; Y90-M126 HydrophobicContact CG-CG 4.48Å; Y90-F142 AromaticContact CE2-CE2 3.75Å; Y90-F142 HydrophobicContact CE2-CE2 3.75Å; Y90-F142 HydrophobicContact CE2-CZ 4.09Å; Y90-P145 WeakPolarHBondContact OH-CD 3.4Å; Y90-P145 WeakPolarHBondContact OH-CG 3.35Å; Y90-Y146 HydrophobicContact CE1-CE2 4.44Å
91	H	79.7	Confident	85.5	Confident	26 Å²	26	32.4 Å²	32.4	12%	0.12	18%	0.176	C	C	.	.	H	α-helix	trans	-67.2	-43.1	-178.4	-70.4	-58.6	0	0	0	111.7	T65 Q66 N88 T89 M94 R95 Y146	T65-H91 WeakPolarHBondContact CG2-CD2 3.45Å; T65-H91 WeakPolarHBondContact CG2-NE2 3.43Å; T65-H91 WeakPolarHBondContact O-CB 3.35Å; Q66-H91 HydrophobicContact CG-CB 4.01Å; N88-H91 PolarHBondContact OD1-CD2 3.25Å; N88-H91 PolarHBondContact OD1-N 3.14Å; T89-H91 PolarHBondContact O-N 3.38Å; H91-M94 PolarHBondContact O-N 2.98Å; H91-R95 CarbonylContact O-C 3.59Å; H91-R95 PolarHBondContact O-N 3.3Å; H91-Y146 PolarHBondContact CE1-OH 2.81Å; H91-Y146 PolarHBondContact ND1-OH 3.13Å
92	L	79.9	Confident	85.1	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-70.3	-38.4	-177.1	-70.8	168.1	0	0	0	113.1	N88 T89 M94 G97 L107 L165	N88-L92 WeakPolarHBondContact O-CB 3.36Å; N88-L92 WeakPolarHBondContact O-CD1 3.41Å; N88-L92 VanDerWaalsContact O-CG 3.27Å; N88-L92 WeakPolarHBondContact O-CG 3.32Å; N88-L92 PolarHBondContact O-N 3.41Å; T89-L92 PolarHBondContact O-N 2.75Å; L92-M94 PolarHBondContact O-N 3.33Å; L92-G97 PolarHBondContact O-N 3.37Å; L92-L107 HydrophobicContact CD1-CD1 3.69Å; L92-L107 HydrophobicContact CD1-CD2 3.41Å; L92-L107 VanDerWaalsContact CD1-CD2 3.41Å; L92-L107 HydrophobicContact CD1-CG 4.21Å; L92-L107 HydrophobicContact CD2-CD1 3.71Å; L92-L107 HydrophobicContact CG-CD1 4.33Å; L92-L165 HydrophobicContact CB-CD1 4.41Å; L92-L165 HydrophobicContact CB-CD2 3.73Å; L92-L165 HydrophobicContact CD1-CD2 4.16Å; L92-L165 HydrophobicContact CG-CD2 4.49Å
93	G	71.6	Confident	84.7	Confident	14 Å²	14	43.5 Å²	43.5	14%	0.144	22%	0.215	C	C	.	.	H	α-helix	trans	-68.1	-23.7	176	0	0	0	0	0	113.4	T89 P98	T89-G93 WeakPolarHBondContact O-CA 3.23Å; T89-G93 PolarHBondContact O-N 3.33Å; G93-P98 VanDerWaalsContact O-CD 3.31Å; G93-P98 WeakPolarHBondContact O-CD 3.15Å
94	M	74.1	Confident	84.4	Confident	58 Å²	58	42.5 Å²	42.5	29%	0.286	21%	0.214	S	C	.	.	H	α-helix	trans	-94.5	-43.1	176.5	-67.4	-61.5	-68.4	0	0	112.7	Y90 H91 L92 Y146 I151	Y90-M94 HydrophobicContact CD2-CG 4.3Å; Y90-M94 HydrophobicContact CE2-CG 4.13Å; Y90-M94 WeakPolarHBondContact O-CB 3.36Å; Y90-M94 VanDerWaalsContact O-CG 3.24Å; Y90-M94 WeakPolarHBondContact O-CG 3.4Å; Y90-M94 PolarHBondContact O-N 2.69Å; H91-M94 PolarHBondContact O-N 2.98Å; L92-M94 PolarHBondContact O-N 3.33Å; M94-Y146 HydrophobicContact CB-CE2 4.35Å; M94-I151 HydrophobicContact CE-CD1 3.23Å; M94-I151 HydrophobicContact SD-CD1 3.6Å
95	R	77.2	Confident	84	Confident	131 Å²	131	49.3 Å²	49.3	49%	0.494	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-145.7	113.2	-177.8	-69.9	-174.3	177.1	179.1	-1.8	109.9	H91	H91-R95 CarbonylContact O-C 3.59Å; H91-R95 PolarHBondContact O-N 3.3Å
96	P	77.5	Confident	83.8	Confident	54 Å²	54	49.6 Å²	49.6	35%	0.351	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	cis	-82.3	-7.2	15.3	33.2	-37.4	0	0	0	115.5	L100 I101 F110	P96-L100 HydrophobicContact CB-CB 4.06Å; P96-L100 HydrophobicContact CB-CD2 3.37Å; P96-L100 HydrophobicContact CB-CG 4.23Å; P96-L100 HydrophobicContact CG-CB 4.32Å; P96-L100 HydrophobicContact CG-CD2 3.91Å; P96-L100 HydrophobicContact CG-CG 4.46Å; P96-I101 HydrophobicContact CG-CD1 3.7Å; P96-I101 HydrophobicContact CG-CG1 4.03Å; P96-F110 HydrophobicContact CG-CE1 4.29Å; P96-F110 HydrophobicContact CG-CE2 4.09Å; P96-F110 HydrophobicContact CG-CZ 3.84Å
97	G	77.9	Confident	83.7	Confident	10 Å²	10	49.4 Å²	49.4	10%	0.103	25%	0.254	C	S	.	.			trans	96.5	156.7	-176.8	0	0	0	0	0	113	L92 E99 L100 I101	L92-G97 PolarHBondContact O-N 3.37Å; G97-E99 VanDerWaalsContact C-N 3.34Å; G97-E99 PolarHBondContact O-N 3.28Å; G97-L100 PolarHBondContact O-N 2.79Å; G97-I101 WeakPolarHBondContact O-CG1 3.21Å; G97-I101 PolarHBondContact O-N 3.39Å
98	P	77.8	Confident	83.8	Confident	51 Å²	51	50.1 Å²	50.1	33%	0.331	26%	0.256	S	S	.	.	H	α-helix	trans	-61.9	-36.8	-170.1	23.8	-34.4	0	0	0	113.2	G93 L100 I101 E102	G93-P98 VanDerWaalsContact O-CD 3.31Å; G93-P98 WeakPolarHBondContact O-CD 3.15Å; P98-L100 PolarHBondContact O-N 2.81Å; P98-I101 PolarHBondContact O-N 3.03Å; P98-E102 WeakPolarHBondContact O-CB 3.35Å; P98-E102 WeakPolarHBondContact O-CG 3.41Å; P98-E102 PolarHBondContact O-N 3.3Å
99	E	84.3	Confident	84.1	Confident	145 Å²	145	51.8 Å²	51.8	68%	0.678	27%	0.274	S	S	*	.	H	α-helix	trans	-61.2	-40.1	-179	-65.3	-177.1	-169.8	0	0	113.2	G97 K103	G97-E99 VanDerWaalsContact C-N 3.34Å; G97-E99 PolarHBondContact O-N 3.28Å; E99-K103 WeakPolarHBondContact O-CG 3.37Å; E99-K103 PolarHBondContact O-N 2.96Å; E99-K103 VanDerWaalsContact O-N 3.17Å
100	L	87.1	Confident	84.6	Confident	85 Å²	85	55.7 Å²	55.7	45%	0.445	29%	0.291	S	S	.	.	H	α-helix	trans	-72.1	-40.7	178	-174.4	64.8	0	0	0	110.8	P96 G97 P98 E102 K103 A104 F110	P96-L100 HydrophobicContact CB-CB 4.06Å; P96-L100 HydrophobicContact CB-CD2 3.37Å; P96-L100 HydrophobicContact CB-CG 4.23Å; P96-L100 HydrophobicContact CG-CB 4.32Å; P96-L100 HydrophobicContact CG-CD2 3.91Å; P96-L100 HydrophobicContact CG-CG 4.46Å; G97-L100 PolarHBondContact O-N 2.79Å; P98-L100 PolarHBondContact O-N 2.81Å; L100-E102 VanDerWaalsContact C-N 3.33Å; L100-E102 PolarHBondContact O-N 3.06Å; L100-K103 PolarHBondContact O-N 3.18Å; L100-A104 WeakPolarHBondContact O-CB 3.39Å; L100-A104 PolarHBondContact O-N 3.47Å; L100-F110 HydrophobicContact CD2-CE2 3.99Å; L100-F110 HydrophobicContact CG-CE2 4.47Å
101	I	88.4	Confident	85.2	Confident	1 Å²	1	56.7 Å²	56.7	1%	0.005	30%	0.297	C	S	.	.	H	α-helix	trans	-60.5	-44.7	177.4	-66.8	-58.2	0	0	0	110.6	P96 G97 P98 A104 N105 G106 L107 F110 L165	P96-I101 HydrophobicContact CG-CD1 3.7Å; P96-I101 HydrophobicContact CG-CG1 4.03Å; G97-I101 WeakPolarHBondContact O-CG1 3.21Å; G97-I101 PolarHBondContact O-N 3.39Å; P98-I101 PolarHBondContact O-N 3.03Å; I101-A104 CarbonylContact O-C 3.59Å; I101-A104 WeakPolarHBondContact O-CA 3.34Å; I101-A104 PolarHBondContact O-N 2.9Å; I101-A104 VanDerWaalsContact O-N 3.11Å; I101-N105 PolarHBondContact O-N 2.79Å; I101-G106 WeakPolarHBondContact O-CA 3.45Å; I101-G106 PolarHBondContact O-N 3.18Å; I101-L107 HydrophobicContact CD1-CD1 4.36Å; I101-F110 HydrophobicContact CD1-CB 3.94Å; I101-F110 HydrophobicContact CD1-CD1 3.82Å; I101-F110 HydrophobicContact CD1-CD2 4.09Å; I101-F110 HydrophobicContact CD1-CE1 4.37Å; I101-F110 HydrophobicContact CD1-CG 3.67Å; I101-L165 HydrophobicContact CG1-CD2 4.26Å; I101-L165 HydrophobicContact CG2-CD2 3.94Å
102	E	87.3	Confident	85.9	Confident	105 Å²	105	60.3 Å²	60.3	49%	0.491	32%	0.317	S	S	.	.	H	α-helix	trans	-62.2	-45.1	176.9	-75.1	175.6	-173	0	0	111.7	P98 L100 A104 N105 S164	P98-E102 WeakPolarHBondContact O-CB 3.35Å; P98-E102 WeakPolarHBondContact O-CG 3.41Å; P98-E102 PolarHBondContact O-N 3.3Å; L100-E102 VanDerWaalsContact C-N 3.33Å; L100-E102 PolarHBondContact O-N 3.06Å; E102-A104 PolarHBondContact O-N 3.14Å; E102-N105 PolarHBondContact O-N 3.12Å; E102-S164 VanDerWaalsContact OE1-CB 3.26Å; E102-S164 WeakPolarHBondContact OE1-CB 3.35Å; E102-S164 PolarHBondContact OE1-OG 3.16Å
103	K	90.3	Very high	86.6	Confident	165 Å²	165	60.6 Å²	60.6	72%	0.717	32%	0.318	S	S	*	.	H	α-helix	trans	-61.1	-27.3	174.2	-74.2	174.4	-177.3	171.2	0	113.1	E99 L100 N105	E99-K103 WeakPolarHBondContact O-CG 3.37Å; E99-K103 PolarHBondContact O-N 2.96Å; E99-K103 VanDerWaalsContact O-N 3.17Å; L100-K103 PolarHBondContact O-N 3.18Å; K103-N105 VanDerWaalsContact C-N 3.27Å
104	A	90.7	Very high	87.7	Confident	25 Å²	25	67.7 Å²	67.7	21%	0.207	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	12.1	175.8	0	0	0	0	0	113.5	L100 I101 E102 G109 F110	L100-A104 WeakPolarHBondContact O-CB 3.39Å; L100-A104 PolarHBondContact O-N 3.47Å; I101-A104 CarbonylContact O-C 3.59Å; I101-A104 WeakPolarHBondContact O-CA 3.34Å; I101-A104 PolarHBondContact O-N 2.9Å; I101-A104 VanDerWaalsContact O-N 3.11Å; E102-A104 PolarHBondContact O-N 3.14Å; A104-G109 CarbonylContact O-C 3.45Å; A104-G109 VanDerWaalsContact O-CA 3.23Å; A104-G109 WeakPolarHBondContact O-CA 3.34Å; A104-F110 HydrophobicContact CB-CB 3.83Å; A104-F110 HydrophobicContact CB-CD2 3.97Å; A104-F110 HydrophobicContact CB-CG 4.41Å; A104-F110 PolarHBondContact O-N 2.99Å
105	N	90.4	Very high	88.8	Confident	144 Å²	144	68 Å²	68	77%	0.77	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	44.2	-175.6	-56.7	-52.2	0	0	0	113.2	I101 E102 K103	I101-N105 PolarHBondContact O-N 2.79Å; E102-N105 PolarHBondContact O-N 3.12Å; K103-N105 VanDerWaalsContact C-N 3.27Å
106	G	91.9	Very high	89.7	Confident	9 Å²	9	61.8 Å²	61.8	9%	0.093	32%	0.319	C	S	.	.	H	α-helix	trans	81.1	-177.2	-179.3	0	0	0	0	0	113	I101 H108 G109 F110	I101-G106 WeakPolarHBondContact O-CA 3.45Å; I101-G106 PolarHBondContact O-N 3.18Å; G106-H108 VanDerWaalsContact C-N 3.3Å; G106-H108 PolarHBondContact O-N 3.21Å; G106-G109 PolarHBondContact O-N 2.9Å; G106-F110 PolarHBondContact O-N 3.05Å
107	L	93.1	Very high	90.7	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-65.6	-35	-177.3	-174.5	59.5	0	0	0	112.1	L92 I101 F110 M111 L117 L165	L92-L107 HydrophobicContact CD1-CD1 3.69Å; L92-L107 HydrophobicContact CD1-CD2 3.41Å; L92-L107 VanDerWaalsContact CD1-CD2 3.41Å; L92-L107 HydrophobicContact CD1-CG 4.21Å; L92-L107 HydrophobicContact CD2-CD1 3.71Å; L92-L107 HydrophobicContact CG-CD1 4.33Å; I101-L107 HydrophobicContact CD1-CD1 4.36Å; L107-F110 HydrophobicContact CD1-CD1 4.4Å; L107-F110 PolarHBondContact O-N 2.68Å; L107-M111 HydrophobicContact CD1-CG 3.81Å; L107-M111 HydrophobicContact CD1-SD 3.66Å; L107-M111 HydrophobicContact CD2-SD 4.18Å; L107-M111 HydrophobicContact CG-CG 4.2Å; L107-M111 HydrophobicContact CG-SD 3.66Å; L107-M111 WeakPolarHBondContact O-CB 3.22Å; L107-M111 VanDerWaalsContact O-CG 3.3Å; L107-M111 WeakPolarHBondContact O-CG 3.39Å; L107-M111 PolarHBondContact O-N 3.4Å; L107-L117 HydrophobicContact CB-CD1 4.03Å; L107-L117 HydrophobicContact CD2-CD1 3.82Å; L107-L117 HydrophobicContact CG-CD1 3.81Å; L107-L165 HydrophobicContact CB-CB 4.37Å; L107-L165 HydrophobicContact CB-CD2 4.19Å; L107-L165 VanDerWaalsContact CB-O 3.27Å; L107-L165 WeakPolarHBondContact CB-O 3.4Å; L107-L165 HydrophobicContact CD1-CD2 4.46Å; L107-L165 HydrophobicContact CD2-CD2 4.35Å; L107-L165 PolarHBondContact N-O 2.92Å
108	H	94.1	Very high	91.6	Very high	18 Å²	18	58.7 Å²	58.7	8%	0.083	30%	0.297	C	S	.	.	H	α-helix	trans	-55.1	-52.6	173.9	-70.5	94.9	0	0	0	111.4	H52 G106 N112 W113 R115 G166 D168	H52-H108 AromaticContact CD2-CD2 3.94Å; H52-H108 AromaticContact CE1-CD2 3.82Å; H52-H108 AromaticContact CE1-CE1 3.3Å; H52-H108 PolarHBondContact CE1-CE1 2.88Å; H52-H108 AromaticContact CE1-CG 3.92Å; H52-H108 AromaticContact CE1-ND1 3.61Å; H52-H108 AromaticContact CE1-NE2 3.47Å; H52-H108 PolarHBondContact CE1-NE2 3.13Å; H52-H108 AromaticContact CG-NE2 3.86Å; H52-H108 AromaticContact ND1-CE1 3.63Å; H52-H108 AromaticContact ND1-NE2 3.47Å; H52-H108 PolarHBondContact ND1-NE2 3.44Å; H52-H108 AromaticContact NE2-CD2 3.75Å; H52-H108 AromaticContact NE2-CE1 3.95Å; H52-H108 AromaticContact NE2-CG 3.81Å; H52-H108 AromaticContact NE2-ND1 3.93Å; H52-H108 AromaticContact NE2-NE2 3.88Å; G106-H108 VanDerWaalsContact C-N 3.3Å; G106-H108 PolarHBondContact O-N 3.21Å; H108-N112 CarbonylContact O-C 3.48Å; H108-N112 VanDerWaalsContact O-CA 3.3Å; H108-N112 WeakPolarHBondContact O-CA 3.34Å; H108-N112 PolarHBondContact O-N 3.47Å; H108-W113 WeakPolarHBondContact CB-O 3.46Å; H108-W113 PolarHBondContact CD2-O 2.72Å; H108-W113 PolarHBondContact O-N 3.45Å; H108-R115 PolarHBondContact CD2-O 2.86Å; H108-R115 PolarHBondContact NE2-O 3.19Å; H108-G166 PolarHBondContact CE1-O 3.27Å; H108-G166 PolarHBondContact ND1-O 2.93Å; H108-G166 VanDerWaalsContact ND1-O 3.09Å; H108-D168 IonicContact CE1-OD2 3.58Å; H108-D168 PolarHBondContact CE1-OD2 3Å; H108-D168 IonicContact NE2-OD2 2.72Å; H108-D168 PolarHBondContact NE2-OD2 2.87Å
109	G	93.2	Very high	92.5	Very high	40 Å²	40	56.3 Å²	56.3	41%	0.412	28%	0.282	S	S	.	.	H	α-helix	trans	-68.9	-38.5	179.1	0	0	0	0	0	112.9	A104 G106 M111 N112	A104-G109 CarbonylContact O-C 3.45Å; A104-G109 VanDerWaalsContact O-CA 3.23Å; A104-G109 WeakPolarHBondContact O-CA 3.34Å; G106-G109 PolarHBondContact O-N 2.9Å; G109-M111 VanDerWaalsContact C-N 3.35Å; G109-M111 PolarHBondContact O-N 3.06Å; G109-N112 PolarHBondContact O-N 3.16Å
110	F	92.3	Very high	92.9	Very high	83 Å²	83	50 Å²	50	36%	0.364	25%	0.253	S	S	.	.	H	α-helix	trans	-60.4	-42	176	-175.2	-104	0	0	0	113	P96 L100 I101 A104 G106 L107	P96-F110 HydrophobicContact CG-CE1 4.29Å; P96-F110 HydrophobicContact CG-CE2 4.09Å; P96-F110 HydrophobicContact CG-CZ 3.84Å; L100-F110 HydrophobicContact CD2-CE2 3.99Å; L100-F110 HydrophobicContact CG-CE2 4.47Å; I101-F110 HydrophobicContact CD1-CB 3.94Å; I101-F110 HydrophobicContact CD1-CD1 3.82Å; I101-F110 HydrophobicContact CD1-CD2 4.09Å; I101-F110 HydrophobicContact CD1-CE1 4.37Å; I101-F110 HydrophobicContact CD1-CG 3.67Å; A104-F110 HydrophobicContact CB-CB 3.83Å; A104-F110 HydrophobicContact CB-CD2 3.97Å; A104-F110 HydrophobicContact CB-CG 4.41Å; A104-F110 PolarHBondContact O-N 2.99Å; G106-F110 PolarHBondContact O-N 3.05Å; L107-F110 HydrophobicContact CD1-CD1 4.4Å; L107-F110 PolarHBondContact O-N 2.68Å
111	M	91.6	Very high	93	Very high	27 Å²	27	46.3 Å²	46.3	13%	0.133	23%	0.234	C	C	.	.	H	α-helix	trans	-85	-14.5	178.9	-63.6	179.9	53.1	0	0	113.2	G67 V74 L107 G109 W113	G67-M111 WeakPolarHBondContact CA-SD 3.47Å; G67-M111 VanDerWaalsContact O-CE 3.28Å; G67-M111 WeakPolarHBondContact O-CE 3.49Å; G67-M111 VanDerWaalsContact O-CG 3.27Å; G67-M111 WeakPolarHBondContact O-CG 3.39Å; V74-M111 VanDerWaalsContact CG2-O 3.22Å; V74-M111 WeakPolarHBondContact CG2-O 3.35Å; L107-M111 HydrophobicContact CD1-CG 3.81Å; L107-M111 HydrophobicContact CD1-SD 3.66Å; L107-M111 HydrophobicContact CD2-SD 4.18Å; L107-M111 HydrophobicContact CG-CG 4.2Å; L107-M111 HydrophobicContact CG-SD 3.66Å; L107-M111 WeakPolarHBondContact O-CB 3.22Å; L107-M111 VanDerWaalsContact O-CG 3.3Å; L107-M111 WeakPolarHBondContact O-CG 3.39Å; L107-M111 PolarHBondContact O-N 3.4Å; G109-M111 VanDerWaalsContact C-N 3.35Å; G109-M111 PolarHBondContact O-N 3.06Å; M111-W113 HydrophobicContact CB-CB 4Å; M111-W113 HydrophobicContact CE-CB 4.47Å; M111-W113 PolarHBondContact O-N 3.24Å
112	N	93.3	Very high	92.7	Very high	101 Å²	101	46.2 Å²	46.2	54%	0.54	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	32.2	-161.6	-170.2	38.4	0	0	0	112.9	V74 H108 G109	V74-N112 WeakPolarHBondContact CG1-O 3.19Å; H108-N112 CarbonylContact O-C 3.48Å; H108-N112 VanDerWaalsContact O-CA 3.3Å; H108-N112 WeakPolarHBondContact O-CA 3.34Å; H108-N112 PolarHBondContact O-N 3.47Å; G109-N112 PolarHBondContact O-N 3.16Å
113	W	94.4	Very high	92.1	Very high	6 Å²	6	41.3 Å²	41.3	2%	0.023	21%	0.211	C	C	.	.			trans	-89.6	123.1	177.4	-178.7	-110.9	0	0	0	110.3	V74 L77 D78 C82 H108 M111 R115 N116	V74-W113 HydrophobicContact CB-CE3 4.35Å; V74-W113 HydrophobicContact CG1-CE3 3.75Å; V74-W113 HydrophobicContact CG1-CZ3 4.26Å; V74-W113 HydrophobicContact CG2-CB 4.38Å; V74-W113 HydrophobicContact CG2-CE3 4.1Å; L77-W113 HydrophobicContact CB-CH2 4.48Å; L77-W113 HydrophobicContact CB-CZ3 4.12Å; L77-W113 HydrophobicContact CD2-CH2 3.91Å; L77-W113 HydrophobicContact CD2-CZ2 4.47Å; L77-W113 HydrophobicContact CD2-CZ3 3.95Å; L77-W113 HydrophobicContact CG-CH2 4.04Å; L77-W113 HydrophobicContact CG-CZ3 4.14Å; D78-W113 HydrophobicContact CB-CZ3 4.43Å; C82-W113 HydrophobicContact CB-CH2 4.21Å; C82-W113 WeakPolarHBondContact O-CH2 3.48Å; H108-W113 WeakPolarHBondContact CB-O 3.46Å; H108-W113 PolarHBondContact CD2-O 2.72Å; H108-W113 PolarHBondContact O-N 3.45Å; M111-W113 HydrophobicContact CB-CB 4Å; M111-W113 HydrophobicContact CE-CB 4.47Å; M111-W113 PolarHBondContact O-N 3.24Å; W113-R115 HydrophobicContact CH2-CB 4.33Å; W113-R115 HydrophobicContact CH2-CG 4.33Å; W113-R115 HydrophobicContact CZ2-CB 3.58Å; W113-R115 HydrophobicContact CZ2-CG 4.07Å; W113-R115 VanDerWaalsContact NE1-C 3.28Å; W113-R115 PolarHBondContact NE1-O 3.4Å; W113-N116 PolarHBondContact NE1-O 3.34Å
114	K	94.8	Very high	91.2	Very high	163 Å²	163	38.6 Å²	38.6	71%	0.709	20%	0.199	S	C	*	.			trans	-99.1	-3.6	-172.7	-62.9	177.1	-177.3	171.1	0	114.4
115	R	96.4	Very high	90	Very high	65 Å²	65	39 Å²	39	25%	0.245	20%	0.197	C	C	.	.	S	Bend	trans	-109.7	-174.4	-179.3	-52.5	-177.2	177.2	-111.9	4.6	109.8	D78 C82 Q83 H108 W113	D78-R115 IonicContact OD1-CZ 3.02Å; D78-R115 IonicContact OD1-NE 3.67Å; D78-R115 PolarHBondContact OD1-NE 2.86Å; D78-R115 IonicContact OD1-NH2 3.6Å; D78-R115 PolarHBondContact OD1-NH2 2.87Å; C82-R115 WeakPolarHBondContact O-CD 3.31Å; C82-R115 PolarHBondContact O-NE 2.84Å; Q83-R115 WeakPolarHBondContact O-CB 3.39Å; H108-R115 PolarHBondContact CD2-O 2.86Å; H108-R115 PolarHBondContact NE2-O 3.19Å; W113-R115 HydrophobicContact CH2-CB 4.33Å; W113-R115 HydrophobicContact CH2-CG 4.33Å; W113-R115 HydrophobicContact CZ2-CB 3.58Å; W113-R115 HydrophobicContact CZ2-CG 4.07Å; W113-R115 VanDerWaalsContact NE1-C 3.28Å; W113-R115 PolarHBondContact NE1-O 3.4Å
116	N	97.7	Very high	88.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	155.8	-170.7	-48.7	-71.7	0	0	0	113	L50 H52 C53 V55 Q83 I84 C85 W113 D168	L50-N116 WeakPolarHBondContact CB-OD1 3.15Å; L50-N116 HydrophobicContact CD1-CB 3.89Å; H52-N116 WeakPolarHBondContact CB-OD1 3.41Å; H52-N116 PolarHBondContact N-OD1 3.44Å; H52-N116 VanDerWaalsContact N-OD1 3.12Å; C53-N116 PolarHBondContact N-ND2 3.25Å; C53-N116 PolarHBondContact N-OD1 2.85Å; C53-N116 PolarHBondContact O-ND2 3.25Å; C53-N116 PolarHBondContact O-OD1 2.94Å; C53-N116 PolarHBondContact SG-ND2 3.28Å; V55-N116 VanDerWaalsContact CG2-ND2 3.3Å; V55-N116 WeakPolarHBondContact CG2-ND2 3.45Å; Q83-N116 PolarHBondContact O-N 3.02Å; Q83-N116 PolarHBondContact O-ND2 2.84Å; I84-N116 WeakPolarHBondContact CA-O 3.33Å; I84-N116 HydrophobicContact CB-CB 4.12Å; I84-N116 HydrophobicContact CD1-CB 4.08Å; I84-N116 HydrophobicContact CG1-CB 4.05Å; C85-N116 PolarHBondContact N-O 3.14Å; W113-N116 PolarHBondContact NE1-O 3.34Å; N116-D168 WeakPolarHBondContact CA-OD2 3.44Å; N116-D168 HydrophobicContact CB-CB 4.1Å; N116-D168 WeakPolarHBondContact CB-OD2 3.47Å; N116-D168 PolarHBondContact OD1-OD1 3.49Å
117	L	97.2	Very high	87.1	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	139.7	171.8	-74	167.9	0	0	0	111	C85 L107 D168 I169	C85-L117 WeakPolarHBondContact O-CA 3.4Å; C85-L117 WeakPolarHBondContact SG-CD2 3.27Å; L107-L117 HydrophobicContact CB-CD1 4.03Å; L107-L117 HydrophobicContact CD2-CD1 3.82Å; L107-L117 HydrophobicContact CG-CD1 3.81Å; L117-D168 PolarHBondContact N-OD2 3.03Å; L117-D168 PolarHBondContact O-N 3.39Å; L117-I169 PolarHBondContact O-N 3.46Å; L117-I169 VanDerWaalsContact O-N 3.11Å
118	L	97.8	Very high	85.5	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	136.4	160.8	-175.5	149.3	0	0	0	108.6	M61 I84 C85 L86 G87 I169 M171 Y272 M292	M61-L118 HydrophobicContact CE-CD1 4.02Å; M61-L118 HydrophobicContact SD-CB 4.08Å; M61-L118 HydrophobicContact SD-CD1 3.97Å; I84-L118 HydrophobicContact CD1-CB 4.25Å; C85-L118 PolarHBondContact O-N 3.22Å; L86-L118 CarbonylContact C-O 3.57Å; L86-L118 VanDerWaalsContact CA-O 3.25Å; L86-L118 WeakPolarHBondContact CA-O 3.25Å; L86-L118 HydrophobicContact CD1-CD2 3.71Å; L86-L118 HydrophobicContact CG-CD2 3.88Å; G87-L118 PolarHBondContact N-O 3.33Å; L118-I169 CarbonylContact C-O 3.53Å; L118-I169 VanDerWaalsContact CA-O 3.31Å; L118-I169 WeakPolarHBondContact CA-O 3.39Å; L118-I169 HydrophobicContact CB-CB 4.21Å; L118-I169 HydrophobicContact CD1-CB 4Å; L118-I169 HydrophobicContact CD1-CD1 4.39Å; L118-I169 HydrophobicContact CD1-CG2 3.62Å; L118-I169 HydrophobicContact CG-CB 3.99Å; L118-I169 HydrophobicContact CG-CG2 3.91Å; L118-M171 HydrophobicContact CD1-SD 4.2Å; L118-M171 HydrophobicContact CD2-CG 4Å; L118-M171 HydrophobicContact CD2-SD 4.28Å; L118-M171 HydrophobicContact CG-SD 4.46Å; L118-Y272 HydrophobicContact CD1-CD1 3.94Å; L118-Y272 HydrophobicContact CD1-CE1 3.67Å; L118-Y272 HydrophobicContact CD2-CE1 4.06Å; L118-M292 HydrophobicContact CD1-CE 4.22Å
119	T	95.9	Very high	83.8	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	133.4	170.7	48.8	0	0	0	0	111.3	G87 T89 Q162 L165 S167 I169 M171	G87-T119 WeakPolarHBondContact O-CA 3Å; T89-T119 WeakPolarHBondContact OG1-CB 3.27Å; T119-Q162 PolarHBondContact O-OE1 3.39Å; T119-Q162 WeakPolarHBondContact OG1-CG 3.49Å; T119-Q162 PolarHBondContact OG1-OE1 3.09Å; T119-L165 HydrophobicContact CG2-CB 4.43Å; T119-L165 HydrophobicContact CG2-CD1 4Å; T119-S167 WeakPolarHBondContact OG1-CB 3.22Å; T119-S167 PolarHBondContact OG1-OG 3.24Å; T119-I169 PolarHBondContact N-O 3.33Å; T119-I169 PolarHBondContact OG1-O 2.64Å; T119-M171 VanDerWaalsContact O-CG 3.26Å; T119-M171 WeakPolarHBondContact O-CG 3.49Å; T119-M171 PolarHBondContact O-N 2.85Å; T119-M171 VanDerWaalsContact O-N 3.1Å
120	D	93.7	Very high	82	Confident	13 Å²	13	40.8 Å²	40.8	7%	0.07	20%	0.202	C	C	.	.			trans	-70.8	173.1	170.4	62.3	25.6	0	0	0	111.5	G87 N88 T89 G122 Q125 Q162	G87-D120 PolarHBondContact O-N 3.15Å; N88-D120 PolarHBondContact ND2-OD2 3.21Å; T89-D120 WeakPolarHBondContact CB-O 3.38Å; T89-D120 WeakPolarHBondContact CB-OD1 3.36Å; T89-D120 PolarHBondContact N-OD1 3.11Å; T89-D120 PolarHBondContact OG1-O 3.06Å; D120-G122 VanDerWaalsContact C-N 3.31Å; D120-G122 PolarHBondContact OD1-N 2.87Å; D120-Q125 PolarHBondContact OD2-NE2 3.12Å; D120-Q162 PolarHBondContact O-OE1 3.24Å
121	S	89	Confident	80.3	Confident	7 Å²	7	46.7 Å²	46.7	5%	0.049	23%	0.231	C	C	.	.			trans	-79.9	-15.5	-179.9	64.7	0	0	0	0	113.9	G123 S158 Q172	S121-G123 VanDerWaalsContact C-N 3.28Å; S121-G123 PolarHBondContact OG-N 3.47Å; S121-S158 PolarHBondContact O-OG 3.34Å; S121-Q172 WeakPolarHBondContact CB-O 3.4Å
122	G	81.9	Confident	78.9	Confident	0 Å²	0	51 Å²	51	0%	0	25%	0.254	C	S	.	.	S	Bend	trans	82.7	-11.8	-170.3	0	0	0	0	0	115.2	D120 M126	D120-G122 VanDerWaalsContact C-N 3.31Å; D120-G122 PolarHBondContact OD1-N 2.87Å; G122-M126 VanDerWaalsContact O-CG 3.27Å; G122-M126 WeakPolarHBondContact O-CG 3Å; G122-M126 PolarHBondContact O-N 3.11Å
123	G	73.8	Confident	78.1	Confident	1 Å²	1	48.1 Å²	48.1	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-64.7	-45.6	-174.6	0	0	0	0	0	113.9	S121 Q125 M126 V127	S121-G123 VanDerWaalsContact C-N 3.28Å; S121-G123 PolarHBondContact OG-N 3.47Å; G123-Q125 VanDerWaalsContact C-N 3.35Å; G123-Q125 PolarHBondContact O-N 2.64Å; G123-M126 PolarHBondContact O-N 2.71Å; G123-M126 VanDerWaalsContact O-N 3.16Å; G123-V127 WeakPolarHBondContact O-CG2 3.26Å; G123-V127 PolarHBondContact O-N 2.84Å; G123-V127 VanDerWaalsContact O-N 3.09Å
124	F	71.4	Confident	77.8	Confident	109 Å²	109	53.4 Å²	53.4	48%	0.478	27%	0.267	S	S	.	.	H	α-helix	trans	-59.1	-43	-179	178	-103.2	0	0	0	113	M126 V127 S128 V176	F124-M126 VanDerWaalsContact C-N 3.29Å; F124-M126 PolarHBondContact O-N 3.13Å; F124-V127 PolarHBondContact O-N 2.93Å; F124-S128 VanDerWaalsContact O-CB 3.3Å; F124-S128 WeakPolarHBondContact O-CB 3.13Å; F124-S128 PolarHBondContact O-N 3.26Å; F124-S128 PolarHBondContact O-OG 3.35Å; F124-V176 HydrophobicContact CB-CG2 4.43Å; F124-V176 HydrophobicContact CD2-CG1 3.96Å
125	Q	66.6	Low	77.7	Confident	32 Å²	32	47.2 Å²	47.2	15%	0.15	24%	0.242	C	C	.	.	H	α-helix	trans	-67.7	-33.6	-179.5	-67	80	3	0	0	111.1	N88 Y90 D120 G123 L129	N88-Q125 WeakPolarHBondContact ND2-CG 3.46Å; N88-Q125 PolarHBondContact ND2-NE2 3.38Å; Y90-Q125 HydrophobicContact CD1-CB 4.05Å; Y90-Q125 HydrophobicContact CG-CB 4.32Å; D120-Q125 PolarHBondContact OD2-NE2 3.12Å; G123-Q125 VanDerWaalsContact C-N 3.35Å; G123-Q125 PolarHBondContact O-N 2.64Å; Q125-L129 HydrophobicContact CB-CD1 4.12Å; Q125-L129 WeakPolarHBondContact O-CB 3.46Å; Q125-L129 WeakPolarHBondContact O-CD1 3.37Å; Q125-L129 WeakPolarHBondContact O-CG 3.23Å; Q125-L129 PolarHBondContact O-N 3.34Å
126	M	63.6	Low	77.6	Confident	9 Å²	9	45.8 Å²	45.8	4%	0.044	24%	0.241	C	C	.	.	H	α-helix	trans	-68.9	-42.5	176.9	-65.7	167.5	178.3	0	0	111.8	Y90 G122 G123 F124 V130 F142 L153	Y90-M126 HydrophobicContact CD2-CE 3.36Å; Y90-M126 HydrophobicContact CD2-CG 3.87Å; Y90-M126 HydrophobicContact CD2-SD 4.5Å; Y90-M126 HydrophobicContact CE2-CE 3.94Å; Y90-M126 HydrophobicContact CE2-CG 4.01Å; Y90-M126 HydrophobicContact CG-CE 4.32Å; Y90-M126 HydrophobicContact CG-CG 4.48Å; G122-M126 VanDerWaalsContact O-CG 3.27Å; G122-M126 WeakPolarHBondContact O-CG 3Å; G122-M126 PolarHBondContact O-N 3.11Å; G123-M126 PolarHBondContact O-N 2.71Å; G123-M126 VanDerWaalsContact O-N 3.16Å; F124-M126 VanDerWaalsContact C-N 3.29Å; F124-M126 PolarHBondContact O-N 3.13Å; M126-V130 WeakPolarHBondContact O-CB 3.44Å; M126-V130 WeakPolarHBondContact O-CG2 3.17Å; M126-V130 PolarHBondContact O-N 3.38Å; M126-F142 HydrophobicContact CB-CD1 4.11Å; M126-F142 HydrophobicContact CB-CE1 4.48Å; M126-F142 HydrophobicContact CB-CG 4.16Å; M126-F142 HydrophobicContact CE-CD1 4.39Å; M126-F142 HydrophobicContact CE-CE1 3.4Å; M126-F142 VanDerWaalsContact CE-CE1 3.4Å; M126-F142 HydrophobicContact CE-CE2 4.23Å; M126-F142 HydrophobicContact CE-CZ 3.29Å; M126-F142 HydrophobicContact CG-CD1 3.93Å; M126-F142 HydrophobicContact CG-CD2 4.22Å; M126-F142 HydrophobicContact CG-CE1 3.81Å; M126-F142 HydrophobicContact CG-CE2 4.1Å; M126-F142 HydrophobicContact CG-CG 4.16Å; M126-F142 HydrophobicContact CG-CZ 3.89Å; M126-F142 HydrophobicContact SD-CD1 3.6Å; M126-F142 HydrophobicContact SD-CE1 3.14Å; M126-F142 WeakPolarHBondContact SD-CE1 3.36Å; M126-F142 HydrophobicContact SD-CE2 4.4Å; M126-F142 HydrophobicContact SD-CG 4.42Å; M126-F142 HydrophobicContact SD-CZ 3.61Å; M126-L153 HydrophobicContact CE-CB 4.01Å; M126-L153 HydrophobicContact CE-CD1 4.29Å; M126-L153 HydrophobicContact CE-CD2 3.51Å; M126-L153 HydrophobicContact CE-CG 4.12Å; M126-L153 HydrophobicContact SD-CB 3.8Å; M126-L153 HydrophobicContact SD-CD2 3.44Å; M126-L153 WeakPolarHBondContact SD-CD2 3.32Å; M126-L153 HydrophobicContact SD-CG 4.19Å
127	V	57.7	Low	77.5	Confident	50 Å²	50	49.2 Å²	49.2	30%	0.303	26%	0.257	S	S	.	.	H	α-helix	trans	-73.5	-35.2	179.5	-179.3	0	0	0	0	111.9	G123 F124 V140	G123-V127 WeakPolarHBondContact O-CG2 3.26Å; G123-V127 PolarHBondContact O-N 2.84Å; G123-V127 VanDerWaalsContact O-N 3.09Å; F124-V127 PolarHBondContact O-N 2.93Å; V127-V140 HydrophobicContact CG2-CG1 4.38Å
128	S	59	Low	77.5	Confident	68 Å²	68	54 Å²	54	48%	0.476	28%	0.279	S	S	.	.	H	α-helix	trans	-84.6	-21.4	-177.8	59.2	0	0	0	0	114.9	F124	F124-S128 VanDerWaalsContact O-CB 3.3Å; F124-S128 WeakPolarHBondContact O-CB 3.13Å; F124-S128 PolarHBondContact O-N 3.26Å; F124-S128 PolarHBondContact O-OG 3.35Å
129	L	57.6	Low	77.4	Confident	106 Å²	106	54 Å²	54	56%	0.555	28%	0.279	S	S	*	.	H	α-helix	trans	-104.8	-12.2	-177.2	-61.2	171.1	0	0	0	114.2	Q125	Q125-L129 HydrophobicContact CB-CD1 4.12Å; Q125-L129 WeakPolarHBondContact O-CB 3.46Å; Q125-L129 WeakPolarHBondContact O-CD1 3.37Å; Q125-L129 WeakPolarHBondContact O-CG 3.23Å; Q125-L129 PolarHBondContact O-N 3.34Å
130	V	57	Low	77.2	Confident	17 Å²	17	54 Å²	54	10%	0.103	28%	0.28	C	S	.	.			trans	-124.7	107.1	-172.7	-168.1	0	0	0	0	109.9	M126 L132 S133 F142	M126-V130 WeakPolarHBondContact O-CB 3.44Å; M126-V130 WeakPolarHBondContact O-CG2 3.17Å; M126-V130 PolarHBondContact O-N 3.38Å; V130-L132 HydrophobicContact CG1-CB 4.31Å; V130-L132 PolarHBondContact O-N 3.06Å; V130-S133 PolarHBondContact O-N 3.41Å; V130-S133 PolarHBondContact O-OG 3.21Å; V130-F142 HydrophobicContact CB-CB 4.48Å; V130-F142 HydrophobicContact CG1-CB 4.32Å; V130-F142 HydrophobicContact CG2-CD2 4.4Å
131	E	56.6	Low	77	Confident	206 Å²	206	56.3 Å²	56.3	96%	0.963	29%	0.289	S	S	*	.	S	Bend	trans	-54.8	-15.8	173.9	-74.1	-178.1	154.7	0	0	113.6
132	L	60.7	Low	76.8	Confident	118 Å²	118	56 Å²	56	62%	0.618	29%	0.287	S	S	*	.	S	Bend	trans	-117.3	59	-177.6	-65.5	166.3	0	0	0	110.8	V130 K143	V130-L132 HydrophobicContact CG1-CB 4.31Å; V130-L132 PolarHBondContact O-N 3.06Å; L132-K143 HydrophobicContact CD1-CD 4.23Å
133	S	78.4	Confident	76.9	Confident	41 Å²	41	60.7 Å²	60.7	29%	0.287	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	133.2	169.6	57.1	0	0	0	0	111.3	V130 K141	V130-S133 PolarHBondContact O-N 3.41Å; V130-S133 PolarHBondContact O-OG 3.21Å; S133-K141 CarbonylContact C-O 3.53Å; S133-K141 VanDerWaalsContact CA-O 3.27Å; S133-K141 WeakPolarHBondContact CA-O 3.36Å
134	E	87.9	Confident	77.1	Confident	116 Å²	116	60.7 Å²	60.7	54%	0.542	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.7	174.5	-175.6	-172.2	179.8	0	0	108.5	T136 K141	E134-T136 HydrophobicContact CG-CG2 4.14Å; E134-K141 HydrophobicContact CB-CB 4.43Å; E134-K141 PolarHBondContact N-O 3.3Å; E134-K141 PolarHBondContact O-N 3.45Å
135	V	91.3	Very high	77.2	Confident	33 Å²	33	59.5 Å²	59.5	20%	0.2	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	123.3	176.9	-172	0	0	0	0	109.1	V140 D175 W196	V135-V140 HydrophobicContact CG1-CG2 4.43Å; V135-V140 HydrophobicContact CG2-CG1 4.36Å; V135-V140 HydrophobicContact CG2-CG2 4.24Å; V135-D175 HydrophobicContact CG1-CB 4.45Å; V135-W196 HydrophobicContact CG1-CH2 3.87Å; V135-W196 HydrophobicContact CG1-CZ2 4.39Å
136	T	94.4	Very high	77.6	Confident	35 Å²	35	61.4 Å²	61.4	22%	0.215	32%	0.317	C	S	.	.			trans	-124	179.7	174.3	70.2	0	0	0	0	109.6	E134 E138 G139 W196	E134-T136 HydrophobicContact CG-CG2 4.14Å; T136-E138 PolarHBondContact O-N 3Å; T136-E138 PolarHBondContact OG1-N 3.18Å; T136-G139 PolarHBondContact N-O 2.87Å; T136-G139 PolarHBondContact O-N 3.23Å; T136-W196 VanDerWaalsContact O-CZ2 3.3Å; T136-W196 WeakPolarHBondContact O-CZ2 3.4Å
137	E	97.2	Very high	78.5	Confident	73 Å²	73	65 Å²	65	34%	0.341	34%	0.336	S	S	.	.	S	Bend	trans	-62.8	-28.7	173.7	-169.3	61.1	-163.7	0	0	112.5	R192 R195 W196 R199	E137-R192 IonicContact OE2-NE 2.64Å; E137-R192 PolarHBondContact OE2-NE 2.94Å; E137-R195 IonicContact OE1-CZ 3.03Å; E137-R195 IonicContact OE1-NE 2.94Å; E137-R195 PolarHBondContact OE1-NE 2.97Å; E137-R195 IonicContact OE1-NH2 3.28Å; E137-R195 IonicContact OE2-CZ 3.58Å; E137-R195 IonicContact OE2-NE 2.59Å; E137-R195 IonicContact OE2-NH2 3.51Å; E137-R195 PolarHBondContact OE2-NH2 3.46Å; E137-W196 PolarHBondContact O-NE1 2.84Å; E137-R199 PolarHBondContact O-NH1 3.33Å
138	E	96.8	Very high	79.6	Confident	99 Å²	99	64.8 Å²	64.8	46%	0.463	34%	0.344	S	S	.	.	S	Bend	trans	-65.6	-41.8	-178.6	-166.8	-178.1	-171.2	0	0	111.9	T136 L152 S154 R199	T136-E138 PolarHBondContact O-N 3Å; T136-E138 PolarHBondContact OG1-N 3.18Å; E138-L152 HydrophobicContact CG-CD1 4.31Å; E138-L152 HydrophobicContact CG-CD2 3.77Å; E138-L152 WeakPolarHBondContact OE1-CD2 3.35Å; E138-S154 WeakPolarHBondContact O-CB 3.11Å; E138-R199 PolarHBondContact O-NH1 3.47Å; E138-R199 PolarHBondContact O-NH2 3.12Å
139	G	94.2	Very high	80.9	Confident	0 Å²	0	68.1 Å²	68.1	0%	0	35%	0.35	C	S	.	.			trans	162.3	-163.6	-174.4	0	0	0	0	0	111.9	T136 L153	T136-G139 PolarHBondContact N-O 2.87Å; T136-G139 PolarHBondContact O-N 3.23Å; G139-L153 CarbonylContact C-O 3.54Å; G139-L153 VanDerWaalsContact CA-O 3.3Å; G139-L153 WeakPolarHBondContact CA-O 3.06Å
140	V	91.9	Very high	82.2	Confident	2 Å²	2	69.6 Å²	69.6	1%	0.012	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.4	176.3	-174.6	0	0	0	0	109.4	V127 V135 F142 L152 L153 W196	V127-V140 HydrophobicContact CG2-CG1 4.38Å; V135-V140 HydrophobicContact CG1-CG2 4.43Å; V135-V140 HydrophobicContact CG2-CG1 4.36Å; V135-V140 HydrophobicContact CG2-CG2 4.24Å; V140-F142 HydrophobicContact CG1-CD1 4.5Å; V140-L152 CarbonylContact O-C 3.56Å; V140-L152 WeakPolarHBondContact O-CA 3.47Å; V140-L153 PolarHBondContact N-O 3.19Å; V140-L153 PolarHBondContact O-N 3.3Å; V140-W196 HydrophobicContact CG2-CH2 3.95Å; V140-W196 HydrophobicContact CG2-CZ3 4.31Å
141	K	89.7	Confident	83.6	Confident	60 Å²	60	70.3 Å²	70.3	26%	0.261	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	132	170.8	-65.8	-179	-177	176.1	0	109.3	S133 E134 I151 L152	S133-K141 CarbonylContact C-O 3.53Å; S133-K141 VanDerWaalsContact CA-O 3.27Å; S133-K141 WeakPolarHBondContact CA-O 3.36Å; E134-K141 HydrophobicContact CB-CB 4.43Å; E134-K141 PolarHBondContact N-O 3.3Å; E134-K141 PolarHBondContact O-N 3.45Å; K141-I151 WeakPolarHBondContact CA-O 2.91Å; K141-L152 HydrophobicContact CG-CB 4.34Å; K141-L152 HydrophobicContact CG-CD1 3.68Å
142	F	85.3	Confident	85.3	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.009	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	159.9	178.1	65.8	-79.5	0	0	0	110.5	Y90 M126 V130 V140 E150 I151 L153	Y90-F142 AromaticContact CE2-CE2 3.75Å; Y90-F142 HydrophobicContact CE2-CE2 3.75Å; Y90-F142 HydrophobicContact CE2-CZ 4.09Å; M126-F142 HydrophobicContact CB-CD1 4.11Å; M126-F142 HydrophobicContact CB-CE1 4.48Å; M126-F142 HydrophobicContact CB-CG 4.16Å; M126-F142 HydrophobicContact CE-CD1 4.39Å; M126-F142 HydrophobicContact CE-CE1 3.4Å; M126-F142 VanDerWaalsContact CE-CE1 3.4Å; M126-F142 HydrophobicContact CE-CE2 4.23Å; M126-F142 HydrophobicContact CE-CZ 3.29Å; M126-F142 HydrophobicContact CG-CD1 3.93Å; M126-F142 HydrophobicContact CG-CD2 4.22Å; M126-F142 HydrophobicContact CG-CE1 3.81Å; M126-F142 HydrophobicContact CG-CE2 4.1Å; M126-F142 HydrophobicContact CG-CG 4.16Å; M126-F142 HydrophobicContact CG-CZ 3.89Å; M126-F142 HydrophobicContact SD-CD1 3.6Å; M126-F142 HydrophobicContact SD-CE1 3.14Å; M126-F142 WeakPolarHBondContact SD-CE1 3.36Å; M126-F142 HydrophobicContact SD-CE2 4.4Å; M126-F142 HydrophobicContact SD-CG 4.42Å; M126-F142 HydrophobicContact SD-CZ 3.61Å; V130-F142 HydrophobicContact CB-CB 4.48Å; V130-F142 HydrophobicContact CG1-CB 4.32Å; V130-F142 HydrophobicContact CG2-CD2 4.4Å; V140-F142 HydrophobicContact CG1-CD1 4.5Å; F142-E150 WeakPolarHBondContact O-CA 3.43Å; F142-I151 HydrophobicContact CD1-CB 4.48Å; F142-I151 WeakPolarHBondContact CD1-O 3.45Å; F142-I151 HydrophobicContact CE1-CB 3.8Å; F142-I151 HydrophobicContact CE1-CG2 3.74Å; F142-I151 HydrophobicContact CE2-CB 4.07Å; F142-I151 HydrophobicContact CE2-CD1 4.15Å; F142-I151 HydrophobicContact CZ-CB 3.57Å; F142-I151 HydrophobicContact CZ-CD1 4.08Å; F142-I151 HydrophobicContact CZ-CG1 4.38Å; F142-I151 HydrophobicContact CZ-CG2 3.6Å; F142-I151 PolarHBondContact N-O 3.07Å; F142-I151 PolarHBondContact O-N 3.37Å; F142-L153 HydrophobicContact CE1-CB 4.13Å
143	K	83.4	Confident	86.8	Confident	97 Å²	97	57.2 Å²	57.2	42%	0.422	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.1	170.1	-69	-175.8	-179.9	177.4	0	110.3	L132 K149	L132-K143 HydrophobicContact CD1-CD 4.23Å; K143-K149 WeakPolarHBondContact CA-O 3.33Å
144	S	79	Confident	87.6	Confident	2 Å²	2	56 Å²	56	1%	0.014	29%	0.285	C	S	.	.			trans	-57.8	125.3	171.1	165.5	0	0	0	0	110	Y146 D147 G148 K149	S144-Y146 PolarHBondContact O-N 3.21Å; S144-Y146 PolarHBondContact OG-N 3.27Å; S144-D147 WeakPolarHBondContact CB-OD1 3.18Å; S144-D147 PolarHBondContact OG-N 3.49Å; S144-D147 PolarHBondContact OG-OD1 3.36Å; S144-G148 WeakPolarHBondContact O-CA 3.21Å; S144-G148 PolarHBondContact O-N 3.46Å; S144-K149 WeakPolarHBondContact CB-O 3.4Å; S144-K149 PolarHBondContact N-O 3.24Å
145	P	72.9	Confident	88.1	Confident	83 Å²	83	50.4 Å²	50.4	54%	0.539	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-8.1	176.2	32.1	-35.6	0	0	0	112	Y90	Y90-P145 WeakPolarHBondContact OH-CD 3.4Å; Y90-P145 WeakPolarHBondContact OH-CG 3.35Å
146	Y	76.2	Confident	88.4	Confident	72 Å²	72	52.4 Å²	52.4	28%	0.282	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-37.6	-175.8	-61.2	-64.2	0	0	0	113.5	Y90 H91 M94 S144	Y90-Y146 HydrophobicContact CE1-CE2 4.44Å; H91-Y146 PolarHBondContact CE1-OH 2.81Å; H91-Y146 PolarHBondContact ND1-OH 3.13Å; M94-Y146 HydrophobicContact CB-CE2 4.35Å; S144-Y146 PolarHBondContact O-N 3.21Å; S144-Y146 PolarHBondContact OG-N 3.27Å
147	D	81.9	Confident	88.4	Confident	84 Å²	84	54.8 Å²	54.8	45%	0.449	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.5	2.5	-174.3	67.3	-14.5	0	0	0	113.5	S144 K149	S144-D147 WeakPolarHBondContact CB-OD1 3.18Å; S144-D147 PolarHBondContact OG-N 3.49Å; S144-D147 PolarHBondContact OG-OD1 3.36Å; D147-K149 PolarHBondContact O-N 3.11Å; D147-K149 VanDerWaalsContact O-N 3.15Å; D147-K149 PolarHBondContact OD1-N 3.14Å; D147-K149 VanDerWaalsContact OD2-CD 3.27Å; D147-K149 WeakPolarHBondContact OD2-CD 3.36Å; D147-K149 WeakPolarHBondContact OD2-CE 3.27Å; D147-K149 IonicContact OD2-NZ 3.76Å
148	G	81.2	Confident	88.3	Confident	47 Å²	47	51.3 Å²	51.3	49%	0.485	26%	0.259	S	S	.	.			trans	72.8	-0.4	175.6	0	0	0	0	0	115.1	S144	S144-G148 WeakPolarHBondContact O-CA 3.21Å; S144-G148 PolarHBondContact O-N 3.46Å
149	K	84.5	Confident	88.3	Confident	138 Å²	138	46.6 Å²	46.6	60%	0.6	24%	0.237	S	C	*	.			trans	-68.1	140.8	179.5	-68.5	-175.1	-172.1	166.8	0	110.7	K143 S144 D147	K143-K149 WeakPolarHBondContact CA-O 3.33Å; S144-K149 WeakPolarHBondContact CB-O 3.4Å; S144-K149 PolarHBondContact N-O 3.24Å; D147-K149 PolarHBondContact O-N 3.11Å; D147-K149 VanDerWaalsContact O-N 3.15Å; D147-K149 PolarHBondContact OD1-N 3.14Å; D147-K149 VanDerWaalsContact OD2-CD 3.27Å; D147-K149 WeakPolarHBondContact OD2-CD 3.36Å; D147-K149 WeakPolarHBondContact OD2-CE 3.27Å; D147-K149 IonicContact OD2-NZ 3.76Å
150	E	86.7	Confident	88.3	Confident	137 Å²	137	48.8 Å²	48.8	64%	0.64	26%	0.255	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	132.4	170.7	-168	171.8	102.5	0	0	109.6	F142	F142-E150 WeakPolarHBondContact O-CA 3.43Å
151	I	86.4	Confident	88.3	Confident	32 Å²	32	50 Å²	50	16%	0.164	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	131	-179.2	-59	176.8	0	0	0	107	M94 K141 F142	M94-I151 HydrophobicContact CE-CD1 3.23Å; M94-I151 HydrophobicContact SD-CD1 3.6Å; K141-I151 WeakPolarHBondContact CA-O 2.91Å; F142-I151 HydrophobicContact CD1-CB 4.48Å; F142-I151 WeakPolarHBondContact CD1-O 3.45Å; F142-I151 HydrophobicContact CE1-CB 3.8Å; F142-I151 HydrophobicContact CE1-CG2 3.74Å; F142-I151 HydrophobicContact CE2-CB 4.07Å; F142-I151 HydrophobicContact CE2-CD1 4.15Å; F142-I151 HydrophobicContact CZ-CB 3.57Å; F142-I151 HydrophobicContact CZ-CD1 4.08Å; F142-I151 HydrophobicContact CZ-CG1 4.38Å; F142-I151 HydrophobicContact CZ-CG2 3.6Å; F142-I151 PolarHBondContact N-O 3.07Å; F142-I151 PolarHBondContact O-N 3.37Å
152	L	91.2	Very high	88.6	Confident	45 Å²	45	47.2 Å²	47.2	24%	0.236	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.4	165.9	171.7	68.7	0	0	0	107.7	E138 V140 K141 Q157	E138-L152 HydrophobicContact CG-CD1 4.31Å; E138-L152 HydrophobicContact CG-CD2 3.77Å; E138-L152 WeakPolarHBondContact OE1-CD2 3.35Å; V140-L152 CarbonylContact O-C 3.56Å; V140-L152 WeakPolarHBondContact O-CA 3.47Å; K141-L152 HydrophobicContact CG-CB 4.34Å; K141-L152 HydrophobicContact CG-CD1 3.68Å; L152-Q157 PolarHBondContact O-OE1 3.31Å
153	L	92.1	Very high	89	Confident	3 Å²	3	48 Å²	48	2%	0.016	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	103.8	166.3	-174.8	73.5	0	0	0	108.9	M126 G139 V140 F142 Q157 I161 L173	M126-L153 HydrophobicContact CE-CB 4.01Å; M126-L153 HydrophobicContact CE-CD1 4.29Å; M126-L153 HydrophobicContact CE-CD2 3.51Å; M126-L153 HydrophobicContact CE-CG 4.12Å; M126-L153 HydrophobicContact SD-CB 3.8Å; M126-L153 HydrophobicContact SD-CD2 3.44Å; M126-L153 WeakPolarHBondContact SD-CD2 3.32Å; M126-L153 HydrophobicContact SD-CG 4.19Å; G139-L153 CarbonylContact C-O 3.54Å; G139-L153 VanDerWaalsContact CA-O 3.3Å; G139-L153 WeakPolarHBondContact CA-O 3.06Å; V140-L153 PolarHBondContact N-O 3.19Å; V140-L153 PolarHBondContact O-N 3.3Å; F142-L153 HydrophobicContact CE1-CB 4.13Å; L153-Q157 HydrophobicContact CD1-CB 4.32Å; L153-Q157 HydrophobicContact CD1-CG 4.17Å; L153-I161 HydrophobicContact CD1-CD1 4.07Å; L153-L173 HydrophobicContact CD2-CD1 3.74Å; L153-L173 HydrophobicContact CD2-CD2 4.35Å; L153-L173 HydrophobicContact CG-CD2 4.26Å; L153-L173 WeakPolarHBondContact O-CD2 3.41Å
154	S	96.2	Very high	89.4	Confident	15 Å²	15	44.7 Å²	44.7	11%	0.105	24%	0.243	C	C	.	.			trans	-87.7	162.1	170.4	87.2	0	0	0	0	111.5	E138 E156 Q157 S158 L173	E138-S154 WeakPolarHBondContact O-CB 3.11Å; S154-E156 VanDerWaalsContact C-N 3.26Å; S154-E156 WeakPolarHBondContact CB-OE2 3.34Å; S154-E156 PolarHBondContact O-N 2.82Å; S154-E156 PolarHBondContact OG-N 3.38Å; S154-E156 PolarHBondContact OG-OE2 3.22Å; S154-Q157 PolarHBondContact O-N 2.67Å; S154-Q157 VanDerWaalsContact O-N 3.16Å; S154-Q157 PolarHBondContact OG-N 3.06Å; S154-Q157 VanDerWaalsContact OG-N 3.16Å; S154-S158 PolarHBondContact O-N 2.93Å; S154-L173 VanDerWaalsContact C-CD2 3.5Å
155	P	97.7	Very high	90.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-45.7	-47.2	166.4	-33.5	38.2	0	0	0	113.8	Q157 S158 I159 L173 W196 R199	P155-Q157 PolarHBondContact O-N 2.86Å; P155-S158 PolarHBondContact O-N 2.96Å; P155-I159 WeakPolarHBondContact O-CG1 3.27Å; P155-I159 PolarHBondContact O-N 2.72Å; P155-L173 HydrophobicContact CG-CD2 4.21Å; P155-W196 HydrophobicContact CG-CB 3.8Å; P155-W196 HydrophobicContact CG-CD2 3.75Å; P155-W196 HydrophobicContact CG-CE3 4.36Å; P155-W196 HydrophobicContact CG-CG 3.51Å; P155-R199 HydrophobicContact CB-CB 3.79Å; P155-R199 HydrophobicContact CG-CB 4.32Å
156	E	97.8	Very high	91.1	Very high	74 Å²	74	42 Å²	42	35%	0.346	23%	0.23	S	C	.	.	H	α-helix	trans	-64.5	-41.6	-179.9	-58.4	73.4	-161.9	0	0	111.8	S154 I159 A160 R199 A203	S154-E156 VanDerWaalsContact C-N 3.26Å; S154-E156 WeakPolarHBondContact CB-OE2 3.34Å; S154-E156 PolarHBondContact O-N 2.82Å; S154-E156 PolarHBondContact OG-N 3.38Å; S154-E156 PolarHBondContact OG-OE2 3.22Å; E156-I159 PolarHBondContact O-N 2.59Å; E156-A160 VanDerWaalsContact O-CB 3.32Å; E156-A160 WeakPolarHBondContact O-CB 3.28Å; E156-A160 PolarHBondContact O-N 3.49Å; E156-R199 WeakPolarHBondContact OE1-CB 3.3Å; E156-R199 IonicContact OE1-CZ 3.6Å; E156-R199 IonicContact OE1-NE 3.66Å; E156-R199 PolarHBondContact OE1-NE 3.31Å; E156-R199 IonicContact OE1-NH2 2.78Å; E156-R199 PolarHBondContact OE1-NH2 3.04Å; E156-R199 IonicContact OE2-CZ 2.75Å; E156-R199 IonicContact OE2-NE 3.39Å; E156-R199 IonicContact OE2-NH2 3.59Å; E156-R199 PolarHBondContact OE2-NH2 3.2Å; E156-A203 HydrophobicContact CB-CB 4.2Å; E156-A203 HydrophobicContact CG-CB 4.17Å
157	Q	94.3	Very high	92	Very high	86 Å²	86	38.7 Å²	38.7	40%	0.402	22%	0.217	S	C	.	.	H	α-helix	trans	-70.2	-39.8	179.1	-173.5	168	-8.9	0	0	112	L152 L153 S154 P155 I159 A160 I161	L152-Q157 PolarHBondContact O-OE1 3.31Å; L153-Q157 HydrophobicContact CD1-CB 4.32Å; L153-Q157 HydrophobicContact CD1-CG 4.17Å; S154-Q157 PolarHBondContact O-N 2.67Å; S154-Q157 VanDerWaalsContact O-N 3.16Å; S154-Q157 PolarHBondContact OG-N 3.06Å; S154-Q157 VanDerWaalsContact OG-N 3.16Å; P155-Q157 PolarHBondContact O-N 2.86Å; Q157-I159 VanDerWaalsContact C-N 3.35Å; Q157-I159 PolarHBondContact O-N 2.99Å; Q157-A160 PolarHBondContact O-N 2.82Å; Q157-I161 HydrophobicContact CG-CD1 4.21Å; Q157-I161 VanDerWaalsContact O-CG1 3.27Å; Q157-I161 WeakPolarHBondContact O-CG1 3.48Å; Q157-I161 PolarHBondContact O-N 3.43Å
158	S	95	Very high	92.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-46.4	173.6	-179.8	0	0	0	0	111.1	S121 S154 P155 I161 Q162	S121-S158 PolarHBondContact O-OG 3.34Å; S154-S158 PolarHBondContact O-N 2.93Å; P155-S158 PolarHBondContact O-N 2.96Å; S158-I161 PolarHBondContact O-N 2.94Å; S158-Q162 WeakPolarHBondContact O-CG 3.25Å; S158-Q162 PolarHBondContact O-N 3.49Å; S158-Q162 PolarHBondContact OG-NE2 3.43Å
159	I	96.8	Very high	93.6	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-67	-38.8	177.1	-64.6	-60.6	0	0	0	111.9	P155 E156 Q157 I161 Q162 N163 M170 C200 A203 N204 L212	P155-I159 WeakPolarHBondContact O-CG1 3.27Å; P155-I159 PolarHBondContact O-N 2.72Å; E156-I159 PolarHBondContact O-N 2.59Å; Q157-I159 VanDerWaalsContact C-N 3.35Å; Q157-I159 PolarHBondContact O-N 2.99Å; I159-I161 PolarHBondContact O-N 3.1Å; I159-Q162 PolarHBondContact O-N 3.25Å; I159-N163 WeakPolarHBondContact O-CB 3.1Å; I159-N163 PolarHBondContact O-N 3.02Å; I159-N163 PolarHBondContact O-ND2 3.13Å; I159-M170 HydrophobicContact CD1-SD 3.91Å; I159-M170 HydrophobicContact CG2-SD 4.36Å; I159-C200 HydrophobicContact CD1-CB 3.92Å; I159-C200 HydrophobicContact CG1-CB 3.78Å; I159-A203 HydrophobicContact CB-CB 3.95Å; I159-A203 HydrophobicContact CG1-CB 4.35Å; I159-A203 HydrophobicContact CG2-CB 3.95Å; I159-N204 HydrophobicContact CG2-CB 4.02Å; I159-L212 HydrophobicContact CD1-CD1 3.76Å
160	A	94.1	Very high	94.2	Very high	45 Å²	45	26 Å²	26	37%	0.372	14%	0.144	S	C	.	.	H	α-helix	trans	-59.8	-44.8	175.2	0	0	0	0	0	111.9	E156 Q157 Q162 N163 S164	E156-A160 VanDerWaalsContact O-CB 3.32Å; E156-A160 WeakPolarHBondContact O-CB 3.28Å; E156-A160 PolarHBondContact O-N 3.49Å; Q157-A160 PolarHBondContact O-N 2.82Å; A160-Q162 PolarHBondContact O-N 3.11Å; A160-N163 WeakPolarHBondContact O-CB 3.28Å; A160-N163 PolarHBondContact O-N 2.95Å; A160-S164 PolarHBondContact O-N 3.03Å; A160-S164 PolarHBondContact O-OG 2.94Å
161	I	92.4	Very high	94.7	Very high	29 Å²	29	19.4 Å²	19.4	15%	0.149	11%	0.114	C	C	.	.	H	α-helix	trans	-61.9	-45.9	176.2	-63.9	162.9	0	0	0	110.3	T89 L153 Q157 S158 I159 N163 S164 L165	T89-I161 HydrophobicContact CG2-CB 4.15Å; T89-I161 HydrophobicContact CG2-CG2 3.63Å; L153-I161 HydrophobicContact CD1-CD1 4.07Å; Q157-I161 HydrophobicContact CG-CD1 4.21Å; Q157-I161 VanDerWaalsContact O-CG1 3.27Å; Q157-I161 WeakPolarHBondContact O-CG1 3.48Å; Q157-I161 PolarHBondContact O-N 3.43Å; S158-I161 PolarHBondContact O-N 2.94Å; I159-I161 PolarHBondContact O-N 3.1Å; I161-N163 VanDerWaalsContact C-N 3.31Å; I161-N163 PolarHBondContact O-N 3.43Å; I161-S164 PolarHBondContact O-N 3.04Å; I161-L165 HydrophobicContact CG2-CD1 3.92Å; I161-L165 HydrophobicContact CG2-CG 4.34Å; I161-L165 VanDerWaalsContact O-CG 3.31Å; I161-L165 WeakPolarHBondContact O-CG 3.37Å; I161-L165 PolarHBondContact O-N 2.74Å
162	Q	95.1	Very high	95.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-66.9	-31.1	179	-68.2	-177.3	86.7	0	0	112.9	T89 T119 D120 S158 I159 A160 L165 G166 M170 M171 Q210	T89-Q162 HydrophobicContact CG2-CG 3.97Å; T119-Q162 PolarHBondContact O-OE1 3.39Å; T119-Q162 WeakPolarHBondContact OG1-CG 3.49Å; T119-Q162 PolarHBondContact OG1-OE1 3.09Å; D120-Q162 PolarHBondContact O-OE1 3.24Å; S158-Q162 WeakPolarHBondContact O-CG 3.25Å; S158-Q162 PolarHBondContact O-N 3.49Å; S158-Q162 PolarHBondContact OG-NE2 3.43Å; I159-Q162 PolarHBondContact O-N 3.25Å; A160-Q162 PolarHBondContact O-N 3.11Å; Q162-L165 PolarHBondContact O-N 3.38Å; Q162-G166 PolarHBondContact O-N 2.94Å; Q162-M170 HydrophobicContact CB-CB 4.04Å; Q162-M170 HydrophobicContact CB-CE 4.33Å; Q162-M170 HydrophobicContact CG-CB 4.45Å; Q162-M170 VanDerWaalsContact OE1-CA 3.24Å; Q162-M171 PolarHBondContact NE2-O 2.95Å; Q162-Q210 PolarHBondContact O-NE2 2.89Å
163	N	94.4	Very high	95.6	Very high	20 Å²	20	15.8 Å²	15.8	11%	0.107	10%	0.095	C	C	.	.	H	α-helix	trans	-62.9	-45.2	170.3	-79.7	-167.1	0	0	0	111.4	I159 A160 I161 G166 M170 N204 K205 Q210	I159-N163 WeakPolarHBondContact O-CB 3.1Å; I159-N163 PolarHBondContact O-N 3.02Å; I159-N163 PolarHBondContact O-ND2 3.13Å; A160-N163 WeakPolarHBondContact O-CB 3.28Å; A160-N163 PolarHBondContact O-N 2.95Å; I161-N163 VanDerWaalsContact C-N 3.31Å; I161-N163 PolarHBondContact O-N 3.43Å; N163-G166 PolarHBondContact O-N 2.83Å; N163-M170 WeakPolarHBondContact ND2-CE 3.4Å; N163-N204 PolarHBondContact ND2-OD1 3.44Å; N163-K205 WeakPolarHBondContact OD1-CB 3.43Å; N163-K205 PolarHBondContact OD1-N 3.01Å; N163-Q210 PolarHBondContact ND2-OE1 3.16Å
164	S	92.4	Very high	95.7	Very high	27 Å²	27	16.1 Å²	16.1	19%	0.189	10%	0.096	C	C	.	.	H	α-helix	trans	-66.7	-36	175.5	-60.9	0	0	0	0	112.9	E102 A160 I161 G166	E102-S164 VanDerWaalsContact OE1-CB 3.26Å; E102-S164 WeakPolarHBondContact OE1-CB 3.35Å; E102-S164 PolarHBondContact OE1-OG 3.16Å; A160-S164 PolarHBondContact O-N 3.03Å; A160-S164 PolarHBondContact O-OG 2.94Å; I161-S164 PolarHBondContact O-N 3.04Å; S164-G166 VanDerWaalsContact C-N 3.28Å; S164-G166 PolarHBondContact O-N 3.14Å
165	L	93.1	Very high	95.6	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.016	9%	0.091	C	C	.	.	H	α-helix	trans	-66.5	-30	175	-69.6	167.9	0	0	0	112.2	T89 L92 I101 L107 T119 I161 Q162	T89-L165 HydrophobicContact CG2-CD1 4.27Å; L92-L165 HydrophobicContact CB-CD1 4.41Å; L92-L165 HydrophobicContact CB-CD2 3.73Å; L92-L165 HydrophobicContact CD1-CD2 4.16Å; L92-L165 HydrophobicContact CG-CD2 4.49Å; I101-L165 HydrophobicContact CG1-CD2 4.26Å; I101-L165 HydrophobicContact CG2-CD2 3.94Å; L107-L165 HydrophobicContact CB-CB 4.37Å; L107-L165 HydrophobicContact CB-CD2 4.19Å; L107-L165 VanDerWaalsContact CB-O 3.27Å; L107-L165 WeakPolarHBondContact CB-O 3.4Å; L107-L165 HydrophobicContact CD1-CD2 4.46Å; L107-L165 HydrophobicContact CD2-CD2 4.35Å; L107-L165 PolarHBondContact N-O 2.92Å; T119-L165 HydrophobicContact CG2-CB 4.43Å; T119-L165 HydrophobicContact CG2-CD1 4Å; I161-L165 HydrophobicContact CG2-CD1 3.92Å; I161-L165 HydrophobicContact CG2-CG 4.34Å; I161-L165 VanDerWaalsContact O-CG 3.31Å; I161-L165 WeakPolarHBondContact O-CG 3.37Å; I161-L165 PolarHBondContact O-N 2.74Å; Q162-L165 PolarHBondContact O-N 3.38Å
166	G	93.7	Very high	95.1	Very high	26 Å²	26	16.5 Å²	16.5	27%	0.268	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.3	36.5	175.7	0	0	0	0	0	113.8	H108 Q162 N163 S164	H108-G166 PolarHBondContact CE1-O 3.27Å; H108-G166 PolarHBondContact ND1-O 2.93Å; H108-G166 VanDerWaalsContact ND1-O 3.09Å; Q162-G166 PolarHBondContact O-N 2.94Å; N163-G166 PolarHBondContact O-N 2.83Å; S164-G166 VanDerWaalsContact C-N 3.28Å; S164-G166 PolarHBondContact O-N 3.14Å
167	S	95.3	Very high	94.6	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.007	9%	0.087	C	C	.	.			trans	-70.4	151.8	172.2	53.4	0	0	0	0	112.4	T119 I169 Q210	T119-S167 WeakPolarHBondContact OG1-CB 3.22Å; T119-S167 PolarHBondContact OG1-OG 3.24Å; S167-I169 PolarHBondContact OG-O 3.32Å; S167-Q210 WeakPolarHBondContact O-CB 3.47Å; S167-Q210 WeakPolarHBondContact O-CG 3.38Å; S167-Q210 PolarHBondContact O-NE2 3.1Å
168	D	97.8	Very high	94.2	Very high	2 Å²	2	12.4 Å²	12.4	1%	0.011	9%	0.087	C	C	.	.	S	Bend	trans	-74.3	-32.3	178.4	-56.7	-95.1	0	0	0	112.5	L50 P51 H52 H108 N116 L117 N211	L50-D168 HydrophobicContact CB-CB 4.43Å; L50-D168 HydrophobicContact CD1-CB 4.4Å; L50-D168 HydrophobicContact CD2-CB 4.42Å; P51-D168 WeakPolarHBondContact CB-OD1 3.44Å; P51-D168 VanDerWaalsContact CD-OD1 3.3Å; P51-D168 WeakPolarHBondContact CD-OD1 3.46Å; P51-D168 WeakPolarHBondContact CG-OD1 3.41Å; H52-D168 IonicContact CE1-OD1 2.75Å; H52-D168 IonicContact CG-OD1 3.28Å; H52-D168 PolarHBondContact N-OD1 3.39Å; H52-D168 IonicContact ND1-OD1 3.7Å; H52-D168 PolarHBondContact ND1-OD1 2.78Å; H52-D168 IonicContact ND1-OD2 3.81Å; H52-D168 PolarHBondContact ND1-OD2 3.35Å; H108-D168 IonicContact CE1-OD2 3.58Å; H108-D168 PolarHBondContact CE1-OD2 3Å; H108-D168 IonicContact NE2-OD2 2.72Å; H108-D168 PolarHBondContact NE2-OD2 2.87Å; N116-D168 WeakPolarHBondContact CA-OD2 3.44Å; N116-D168 HydrophobicContact CB-CB 4.1Å; N116-D168 WeakPolarHBondContact CB-OD2 3.47Å; N116-D168 PolarHBondContact OD1-OD1 3.49Å; L117-D168 PolarHBondContact N-OD2 3.03Å; L117-D168 PolarHBondContact O-N 3.39Å; D168-N211 WeakPolarHBondContact O-CB 3.3Å; D168-N211 PolarHBondContact O-N 3.16Å; D168-N211 PolarHBondContact O-ND2 3.08Å
169	I	98.4	Very high	93.6	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	131.3	174.7	-57.9	174.1	0	0	0	108.3	L50 I84 L117 L118 T119 S167 M171 N211 F213 M292	L50-I169 HydrophobicContact CD1-CD1 3.95Å; L50-I169 HydrophobicContact CD1-CG1 4.29Å; L50-I169 HydrophobicContact CD2-CD1 4.18Å; L50-I169 HydrophobicContact CD2-CG1 3.99Å; I84-I169 HydrophobicContact CD1-CD1 4.03Å; L117-I169 PolarHBondContact O-N 3.46Å; L117-I169 VanDerWaalsContact O-N 3.11Å; L118-I169 CarbonylContact C-O 3.53Å; L118-I169 VanDerWaalsContact CA-O 3.31Å; L118-I169 WeakPolarHBondContact CA-O 3.39Å; L118-I169 HydrophobicContact CB-CB 4.21Å; L118-I169 HydrophobicContact CD1-CB 4Å; L118-I169 HydrophobicContact CD1-CD1 4.39Å; L118-I169 HydrophobicContact CD1-CG2 3.62Å; L118-I169 HydrophobicContact CG-CB 3.99Å; L118-I169 HydrophobicContact CG-CG2 3.91Å; T119-I169 PolarHBondContact N-O 3.33Å; T119-I169 PolarHBondContact OG1-O 2.64Å; S167-I169 PolarHBondContact OG-O 3.32Å; I169-M171 HydrophobicContact CG2-SD 4.47Å; I169-N211 CarbonylContact C-O 3.51Å; I169-N211 WeakPolarHBondContact CA-O 3.24Å; I169-N211 HydrophobicContact CG1-CB 4.37Å; I169-F213 HydrophobicContact CD1-CE1 4.29Å; I169-F213 HydrophobicContact CD1-CZ 3.96Å; I169-F213 HydrophobicContact CG1-CE1 4.33Å; I169-F213 HydrophobicContact CG1-CZ 4.5Å; I169-F213 HydrophobicContact CG2-CD1 3.65Å; I169-F213 HydrophobicContact CG2-CD2 4.24Å; I169-F213 HydrophobicContact CG2-CE1 3.73Å; I169-F213 HydrophobicContact CG2-CE2 4.31Å; I169-F213 HydrophobicContact CG2-CG 3.91Å; I169-F213 HydrophobicContact CG2-CZ 4.06Å; I169-M292 HydrophobicContact CD1-CE 3.79Å
170	M	97.3	Very high	92.9	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	143.9	175	62.5	178.5	58.9	0	0	110	I159 Q162 N163 Q210 N211 L212 F213	I159-M170 HydrophobicContact CD1-SD 3.91Å; I159-M170 HydrophobicContact CG2-SD 4.36Å; Q162-M170 HydrophobicContact CB-CB 4.04Å; Q162-M170 HydrophobicContact CB-CE 4.33Å; Q162-M170 HydrophobicContact CG-CB 4.45Å; Q162-M170 VanDerWaalsContact OE1-CA 3.24Å; N163-M170 WeakPolarHBondContact ND2-CE 3.4Å; M170-Q210 HydrophobicContact CE-CB 3.34Å; M170-Q210 HydrophobicContact CE-CG 3.95Å; M170-N211 PolarHBondContact N-O 3.49Å; M170-L212 HydrophobicContact CG-CB 4.02Å; M170-L212 HydrophobicContact CG-CD1 3.88Å; M170-L212 CarbonylContact O-C 3.46Å; M170-L212 WeakPolarHBondContact O-CA 3.42Å; M170-L212 HydrophobicContact SD-CB 4.37Å; M170-L212 HydrophobicContact SD-CD1 4.35Å; M170-F213 PolarHBondContact O-N 3.17Å
171	M	98.3	Very high	92.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	139.8	178.2	-61.2	-48.8	-65.9	0	0	110.3	L118 T119 Q162 I169 F213 I215 A241 Y272 M274	L118-M171 HydrophobicContact CD1-SD 4.2Å; L118-M171 HydrophobicContact CD2-CG 4Å; L118-M171 HydrophobicContact CD2-SD 4.28Å; L118-M171 HydrophobicContact CG-SD 4.46Å; T119-M171 VanDerWaalsContact O-CG 3.26Å; T119-M171 WeakPolarHBondContact O-CG 3.49Å; T119-M171 PolarHBondContact O-N 2.85Å; T119-M171 VanDerWaalsContact O-N 3.1Å; Q162-M171 PolarHBondContact NE2-O 2.95Å; I169-M171 HydrophobicContact CG2-SD 4.47Å; M171-F213 HydrophobicContact CE-CB 3.86Å; M171-F213 HydrophobicContact SD-CB 3.73Å; M171-F213 HydrophobicContact SD-CD2 4.48Å; M171-F213 HydrophobicContact SD-CG 4.37Å; M171-I215 HydrophobicContact CB-CD1 4.33Å; M171-I215 HydrophobicContact CE-CD1 4.02Å; M171-I215 HydrophobicContact CE-CG1 3.57Å; M171-A241 HydrophobicContact CE-CB 3.28Å; M171-Y272 HydrophobicContact CE-CD1 3.95Å; M171-Y272 HydrophobicContact CE-CE1 4Å; M171-Y272 HydrophobicContact SD-CD1 3.97Å; M171-Y272 HydrophobicContact SD-CE1 3.86Å; M171-M274 HydrophobicContact CE-CE 4.34Å; M171-M274 HydrophobicContact CE-SD 4.06Å
172	Q	97.8	Very high	92.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	14%	0.143	C	C	.	.	P	Polyproline II helix	trans	-60.1	151.4	169.6	69	161.5	109.6	0	0	110.8	S121 S193 L197 C200 L212 F213 A214 I215	S121-Q172 WeakPolarHBondContact CB-O 3.4Å; Q172-S193 PolarHBondContact NE2-O 3.42Å; Q172-L197 HydrophobicContact CB-CD1 4.18Å; Q172-C200 HydrophobicContact CB-CB 4.17Å; Q172-L212 HydrophobicContact CB-CD1 4.17Å; Q172-F213 PolarHBondContact N-O 3.13Å; Q172-F213 VanDerWaalsContact N-O 3.13Å; Q172-A214 VanDerWaalsContact OE1-CA 3.31Å; Q172-I215 HydrophobicContact CG-CB 4.14Å; Q172-I215 HydrophobicContact CG-CD1 3.85Å; Q172-I215 HydrophobicContact CG-CG1 3.77Å; Q172-I215 VanDerWaalsContact O-CD1 3.31Å; Q172-I215 WeakPolarHBondContact O-CD1 3.39Å
173	L	97.4	Very high	92	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-70.3	134.7	160.6	-170.2	66	0	0	0	109.4	L153 S154 P155 W196 C200	L153-L173 HydrophobicContact CD2-CD1 3.74Å; L153-L173 HydrophobicContact CD2-CD2 4.35Å; L153-L173 HydrophobicContact CG-CD2 4.26Å; L153-L173 WeakPolarHBondContact O-CD2 3.41Å; S154-L173 VanDerWaalsContact C-CD2 3.5Å; P155-L173 HydrophobicContact CG-CD2 4.21Å; L173-W196 HydrophobicContact CB-CE3 4.37Å; L173-W196 HydrophobicContact CD2-CE3 4.12Å; L173-W196 HydrophobicContact CD2-CH2 4.38Å; L173-W196 HydrophobicContact CD2-CZ3 3.9Å; L173-W196 HydrophobicContact CG-CE3 3.87Å; L173-W196 HydrophobicContact CG-CZ3 3.79Å; L173-C200 PolarHBondContact N-SG 3.29Å
174	D	95.6	Very high	92	Very high	10 Å²	10	28.5 Å²	28.5	5%	0.053	19%	0.194	C	C	.	.			trans	-130	155.3	179.3	62	-35.8	0	0	0	110.6	V176 I215 Q217	D174-V176 PolarHBondContact O-N 3.4Å; D174-V176 WeakPolarHBondContact OD2-CG2 3.4Å; D174-I215 HydrophobicContact CB-CD1 4.15Å; D174-Q217 PolarHBondContact OD2-NE2 3.3Å
175	D	93.6	Very high	92	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.198	C	C	.	.			trans	-88.5	93	174.6	-178.1	5.7	0	0	0	109.2	V135 R185 A189 R192 S193 W196	V135-D175 HydrophobicContact CG1-CB 4.45Å; D175-R185 VanDerWaalsContact CG-NH2 3.31Å; D175-R185 IonicContact OD1-CZ 3.44Å; D175-R185 IonicContact OD1-NH1 3.31Å; D175-R185 IonicContact OD1-NH2 2.74Å; D175-R185 PolarHBondContact OD1-NH2 2.99Å; D175-R185 IonicContact OD2-CZ 3.56Å; D175-R185 IonicContact OD2-NH1 3.57Å; D175-R185 PolarHBondContact OD2-NH1 3.41Å; D175-R185 IonicContact OD2-NH2 2.67Å; D175-R185 PolarHBondContact OD2-NH2 3.32Å; D175-A189 HydrophobicContact CB-CB 4.02Å; D175-A189 VanDerWaalsContact O-CB 3.29Å; D175-A189 WeakPolarHBondContact O-CB 3.22Å; D175-A189 VanDerWaalsContact OD2-CA 3.3Å; D175-A189 WeakPolarHBondContact OD2-CA 3.43Å; D175-R192 HydrophobicContact CB-CB 4.34Å; D175-R192 HydrophobicContact CB-CG 4.24Å; D175-R192 IonicContact OD2-CZ 3.38Å; D175-R192 IonicContact OD2-NE 3.18Å; D175-R192 IonicContact OD2-NH1 2.78Å; D175-R192 PolarHBondContact OD2-NH1 3.33Å; D175-S193 PolarHBondContact N-OG 3.25Å; D175-W196 HydrophobicContact CB-CH2 4.49Å; D175-W196 HydrophobicContact CB-CZ3 4.13Å
176	V	86.9	Confident	92.1	Very high	23 Å²	23	31.3 Å²	31.3	14%	0.139	20%	0.201	C	C	.	.			trans	-77.6	127.4	-171.8	-169	0	0	0	0	111.6	F124 D174	F124-V176 HydrophobicContact CB-CG2 4.43Å; F124-V176 HydrophobicContact CD2-CG1 3.96Å; D174-V176 PolarHBondContact O-N 3.4Å; D174-V176 WeakPolarHBondContact OD2-CG2 3.4Å
177	V	86.6	Confident	92.2	Very high	20 Å²	20	35 Å²	35	12%	0.121	21%	0.212	C	C	.	.			trans	-122.6	138.9	173.6	176.8	0	0	0	0	108.6	V181 R185 V186 A189	V177-V181 HydrophobicContact CG1-CB 3.53Å; V177-V181 HydrophobicContact CG1-CG1 3.58Å; V177-V181 HydrophobicContact CG1-CG2 4.13Å; V177-R185 HydrophobicContact CG2-CG 4.22Å; V177-V186 HydrophobicContact CG1-CG2 4.22Å; V177-A189 HydrophobicContact CB-CB 4.44Å; V177-A189 HydrophobicContact CG2-CB 3.42Å; V177-A189 VanDerWaalsContact CG2-CB 3.42Å
178	S	85.5	Confident	92.3	Very high	55 Å²	55	39.3 Å²	39.3	39%	0.385	23%	0.232	S	C	.	.			trans	-55.9	140.4	174.9	178.8	0	0	0	0	110.3	T180 V181	S178-T180 PolarHBondContact O-N 2.85Å; S178-T180 VanDerWaalsContact O-N 3.1Å; S178-T180 PolarHBondContact OG-N 3.11Å; S178-T180 PolarHBondContact OG-OG1 3.35Å; S178-V181 WeakPolarHBondContact O-CB 3.33Å; S178-V181 PolarHBondContact O-N 3.04Å
179	S	82.7	Confident	92.2	Very high	5 Å²	5	39.3 Å²	39.3	4%	0.035	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-23.3	177.3	52.7	0	0	0	0	113.2	L220 G244 G247 E249	S179-L220 WeakPolarHBondContact O-CD1 3.18Å; S179-G244 WeakPolarHBondContact CB-O 3.45Å; S179-G247 WeakPolarHBondContact OG-CA 3.34Å; S179-E249 VanDerWaalsContact CB-OE2 3.32Å; S179-E249 WeakPolarHBondContact CB-OE2 3.48Å; S179-E249 PolarHBondContact OG-OE2 3.47Å
180	T	83.4	Confident	92.1	Very high	87 Å²	87	39.4 Å²	39.4	53%	0.534	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-10.2	177.7	56.6	0	0	0	0	114.3	S178	S178-T180 PolarHBondContact O-N 2.85Å; S178-T180 VanDerWaalsContact O-N 3.1Å; S178-T180 PolarHBondContact OG-N 3.11Å; S178-T180 PolarHBondContact OG-OG1 3.35Å
181	V	86.1	Confident	92.2	Very high	60 Å²	60	43.8 Å²	43.8	36%	0.364	25%	0.249	S	C	.	.			trans	-78.7	134.9	176.2	168.3	0	0	0	0	109.3	V177 S178 R185 V186	V177-V181 HydrophobicContact CG1-CB 3.53Å; V177-V181 HydrophobicContact CG1-CG1 3.58Å; V177-V181 HydrophobicContact CG1-CG2 4.13Å; S178-V181 WeakPolarHBondContact O-CB 3.33Å; S178-V181 PolarHBondContact O-N 3.04Å; V181-R185 HydrophobicContact CG1-CB 4.41Å; V181-R185 HydrophobicContact CG1-CG 4.45Å; V181-V186 HydrophobicContact CG1-CG2 4.15Å; V181-V186 WeakPolarHBondContact O-CG2 3.37Å
182	T	85.9	Confident	92.2	Very high	125 Å²	125	44.7 Å²	44.7	77%	0.767	25%	0.253	S	S	*	.			trans	-120.2	158.9	179	59.8	0	0	0	0	111.3
183	G	89.9	Confident	92.2	Very high	46 Å²	46	44.7 Å²	44.7	47%	0.474	25%	0.253	S	S	.	.	S	Bend	trans	96.8	-163.8	172.2	0	0	0	0	0	114.6	R185 V186	G183-R185 PolarHBondContact O-N 3.36Å; G183-V186 PolarHBondContact O-N 3.23Å; G183-V186 VanDerWaalsContact O-N 3.12Å
184	P	94.2	Very high	92.3	Very high	109 Å²	109	45 Å²	45	71%	0.708	25%	0.254	S	S	*	.	H	α-helix	trans	-57.9	-26.8	-167.4	-27.2	35	0	0	0	114.9	V186 E187 E188	P184-V186 VanDerWaalsContact C-N 3.27Å; P184-V186 PolarHBondContact O-N 3.32Å; P184-E187 PolarHBondContact O-N 2.71Å; P184-E188 PolarHBondContact O-N 2.98Å
185	R	93.3	Very high	92.4	Very high	74 Å²	74	49.5 Å²	49.5	28%	0.279	27%	0.271	S	S	.	.	H	α-helix	trans	-60.4	-35.4	179.6	179.4	60	-173.5	98.7	-0.8	113.1	D175 V177 V181 G183 A189	D175-R185 VanDerWaalsContact CG-NH2 3.31Å; D175-R185 IonicContact OD1-CZ 3.44Å; D175-R185 IonicContact OD1-NH1 3.31Å; D175-R185 IonicContact OD1-NH2 2.74Å; D175-R185 PolarHBondContact OD1-NH2 2.99Å; D175-R185 IonicContact OD2-CZ 3.56Å; D175-R185 IonicContact OD2-NH1 3.57Å; D175-R185 PolarHBondContact OD2-NH1 3.41Å; D175-R185 IonicContact OD2-NH2 2.67Å; D175-R185 PolarHBondContact OD2-NH2 3.32Å; V177-R185 HydrophobicContact CG2-CG 4.22Å; V181-R185 HydrophobicContact CG1-CB 4.41Å; V181-R185 HydrophobicContact CG1-CG 4.45Å; G183-R185 PolarHBondContact O-N 3.36Å; R185-A189 WeakPolarHBondContact O-CB 3.38Å; R185-A189 PolarHBondContact O-N 3.13Å
186	V	93.8	Very high	92.7	Very high	14 Å²	14	49.5 Å²	49.5	9%	0.085	27%	0.271	C	S	.	.	H	α-helix	trans	-70.3	-41.9	-179.8	-172.4	0	0	0	0	110.4	V177 V181 G183 P184 A189 T190 L224	V177-V186 HydrophobicContact CG1-CG2 4.22Å; V181-V186 HydrophobicContact CG1-CG2 4.15Å; V181-V186 WeakPolarHBondContact O-CG2 3.37Å; G183-V186 PolarHBondContact O-N 3.23Å; G183-V186 VanDerWaalsContact O-N 3.12Å; P184-V186 VanDerWaalsContact C-N 3.27Å; P184-V186 PolarHBondContact O-N 3.32Å; V186-A189 PolarHBondContact O-N 2.96Å; V186-T190 WeakPolarHBondContact O-CB 3.44Å; V186-T190 PolarHBondContact O-N 2.93Å; V186-T190 PolarHBondContact O-OG1 3.3Å; V186-L224 HydrophobicContact CB-CD2 4.29Å; V186-L224 HydrophobicContact CG1-CD2 3.77Å
187	E	96.7	Very high	93.2	Very high	105 Å²	105	48.4 Å²	48.4	49%	0.491	26%	0.264	S	S	.	.	H	α-helix	trans	-63.4	-48	175.5	178.4	171.2	-162.4	0	0	110.9	P184 A189 T190 W191 L224	P184-E187 PolarHBondContact O-N 2.71Å; E187-A189 PolarHBondContact O-N 3.3Å; E187-T190 PolarHBondContact O-N 3.12Å; E187-T190 VanDerWaalsContact O-N 3.15Å; E187-W191 VanDerWaalsContact CG-CD1 3.46Å; E187-W191 PolarHBondContact O-N 2.86Å; E187-W191 PolarHBondContact OE1-NE1 3.34Å; E187-L224 HydrophobicContact CB-CD1 4.35Å; E187-L224 HydrophobicContact CB-CD2 4.18Å; E187-L224 HydrophobicContact CG-CD1 4.17Å
188	E	96.9	Very high	93.8	Very high	90 Å²	90	50.6 Å²	50.6	42%	0.421	28%	0.275	S	S	.	.	H	α-helix	trans	-56.9	-47.5	176.4	-171.6	-169.6	150.8	0	0	112.1	P184 T190 W191 R192	P184-E188 PolarHBondContact O-N 2.98Å; E188-T190 VanDerWaalsContact C-N 3.32Å; E188-T190 PolarHBondContact O-N 2.75Å; E188-W191 PolarHBondContact O-N 3.39Å; E188-R192 VanDerWaalsContact O-CB 3.23Å; E188-R192 WeakPolarHBondContact O-CB 3.38Å; E188-R192 PolarHBondContact O-N 3.08Å; E188-R192 IonicContact OE1-CZ 3.11Å; E188-R192 VanDerWaalsContact OE1-CZ 3.28Å; E188-R192 IonicContact OE1-NH1 2.64Å; E188-R192 PolarHBondContact OE1-NH1 3.45Å; E188-R192 IonicContact OE1-NH2 3.98Å; E188-R192 PolarHBondContact OE1-NH2 3.45Å
189	A	95.6	Very high	94.4	Very high	2 Å²	2	50.8 Å²	50.8	2%	0.017	27%	0.267	C	S	.	.	H	α-helix	trans	-59.7	-42.1	175.8	0	0	0	0	0	112.7	D175 V177 R185 V186 E187 R192 S193	D175-A189 HydrophobicContact CB-CB 4.02Å; D175-A189 VanDerWaalsContact O-CB 3.29Å; D175-A189 WeakPolarHBondContact O-CB 3.22Å; D175-A189 VanDerWaalsContact OD2-CA 3.3Å; D175-A189 WeakPolarHBondContact OD2-CA 3.43Å; V177-A189 HydrophobicContact CB-CB 4.44Å; V177-A189 HydrophobicContact CG2-CB 3.42Å; V177-A189 VanDerWaalsContact CG2-CB 3.42Å; R185-A189 WeakPolarHBondContact O-CB 3.38Å; R185-A189 PolarHBondContact O-N 3.13Å; V186-A189 PolarHBondContact O-N 2.96Å; E187-A189 PolarHBondContact O-N 3.3Å; A189-R192 PolarHBondContact O-N 2.9Å; A189-S193 VanDerWaalsContact O-CB 3.29Å; A189-S193 WeakPolarHBondContact O-CB 3.4Å; A189-S193 PolarHBondContact O-N 2.97Å; A189-S193 PolarHBondContact O-OG 3.44Å
190	T	97.3	Very high	95.2	Very high	2 Å²	2	50.6 Å²	50.6	1%	0.012	27%	0.266	C	S	.	.	H	α-helix	trans	-64.1	-50.5	-178.6	-60.9	0	0	0	0	110.3	V186 E187 E188 R192 S193 I194 Q217 G218 L224 C228	V186-T190 WeakPolarHBondContact O-CB 3.44Å; V186-T190 PolarHBondContact O-N 2.93Å; V186-T190 PolarHBondContact O-OG1 3.3Å; E187-T190 PolarHBondContact O-N 3.12Å; E187-T190 VanDerWaalsContact O-N 3.15Å; E188-T190 VanDerWaalsContact C-N 3.32Å; E188-T190 PolarHBondContact O-N 2.75Å; T190-R192 PolarHBondContact O-N 2.98Å; T190-S193 PolarHBondContact O-N 3.49Å; T190-I194 HydrophobicContact CG2-CD1 4.35Å; T190-I194 WeakPolarHBondContact O-CG1 3.5Å; T190-I194 PolarHBondContact O-N 3.28Å; T190-I194 VanDerWaalsContact O-N 3.1Å; T190-Q217 HydrophobicContact CG2-CB 4.21Å; T190-G218 WeakPolarHBondContact OG1-CA 3.28Å; T190-G218 PolarHBondContact OG1-N 3.4Å; T190-L224 HydrophobicContact CG2-CD1 3.86Å; T190-L224 HydrophobicContact CG2-CG 3.97Å; T190-C228 HydrophobicContact CG2-CB 3.66Å
191	W	98.4	Very high	95.9	Very high	93 Å²	93	49.7 Å²	49.7	35%	0.352	26%	0.257	S	S	.	.	H	α-helix	trans	-66.2	-37	178.3	-69.7	117.2	0	0	0	112.8	E187 E188 I194 R195 E231	E187-W191 VanDerWaalsContact CG-CD1 3.46Å; E187-W191 PolarHBondContact O-N 2.86Å; E187-W191 PolarHBondContact OE1-NE1 3.34Å; E188-W191 PolarHBondContact O-N 3.39Å; W191-I194 HydrophobicContact CD2-CD1 4.44Å; W191-I194 HydrophobicContact CE3-CD1 3.69Å; W191-I194 HydrophobicContact CZ3-CD1 3.95Å; W191-I194 PolarHBondContact O-N 2.95Å; W191-R195 PolarHBondContact O-N 2.83Å; W191-R195 VanDerWaalsContact O-N 3.17Å; W191-R195 PolarHBondContact O-NH1 2.86Å; W191-E231 HydrophobicContact CH2-CG 4.33Å; W191-E231 HydrophobicContact CZ3-CG 3.94Å
192	R	98.3	Very high	96.5	Very high	18 Å²	18	51.1 Å²	51.1	7%	0.068	28%	0.275	C	S	.	.	H	α-helix	trans	-61.7	-45.2	172.6	-178.4	175.3	-66.1	125.9	-2	111.6	E137 D175 E188 A189 T190 I194 R195 W196	E137-R192 IonicContact OE2-NE 2.64Å; E137-R192 PolarHBondContact OE2-NE 2.94Å; D175-R192 HydrophobicContact CB-CB 4.34Å; D175-R192 HydrophobicContact CB-CG 4.24Å; D175-R192 IonicContact OD2-CZ 3.38Å; D175-R192 IonicContact OD2-NE 3.18Å; D175-R192 IonicContact OD2-NH1 2.78Å; D175-R192 PolarHBondContact OD2-NH1 3.33Å; E188-R192 VanDerWaalsContact O-CB 3.23Å; E188-R192 WeakPolarHBondContact O-CB 3.38Å; E188-R192 PolarHBondContact O-N 3.08Å; E188-R192 IonicContact OE1-CZ 3.11Å; E188-R192 VanDerWaalsContact OE1-CZ 3.28Å; E188-R192 IonicContact OE1-NH1 2.64Å; E188-R192 PolarHBondContact OE1-NH1 3.45Å; E188-R192 IonicContact OE1-NH2 3.98Å; E188-R192 PolarHBondContact OE1-NH2 3.45Å; A189-R192 PolarHBondContact O-N 2.9Å; T190-R192 PolarHBondContact O-N 2.98Å; R192-I194 VanDerWaalsContact C-N 3.28Å; R192-I194 PolarHBondContact O-N 2.87Å; R192-R195 PolarHBondContact O-N 2.98Å; R192-R195 VanDerWaalsContact O-N 3.11Å; R192-W196 HydrophobicContact CG-CD2 3.92Å; R192-W196 HydrophobicContact CG-CG 4.21Å; R192-W196 HydrophobicContact CG-CZ2 3.97Å; R192-W196 WeakPolarHBondContact O-CB 3.27Å; R192-W196 PolarHBondContact O-N 2.86Å
193	S	98.3	Very high	97.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-62.5	-34.3	178.9	-60.5	0	0	0	0	112.7	Q172 D175 A189 T190 W196 L197	Q172-S193 PolarHBondContact NE2-O 3.42Å; D175-S193 PolarHBondContact N-OG 3.25Å; A189-S193 VanDerWaalsContact O-CB 3.29Å; A189-S193 WeakPolarHBondContact O-CB 3.4Å; A189-S193 PolarHBondContact O-N 2.97Å; A189-S193 PolarHBondContact O-OG 3.44Å; T190-S193 PolarHBondContact O-N 3.49Å; S193-W196 PolarHBondContact O-N 3.05Å; S193-L197 PolarHBondContact O-N 3.37Å
194	I	98.6	Very high	97.4	Very high	7 Å²	7	45 Å²	45	4%	0.036	23%	0.229	C	C	.	.	H	α-helix	trans	-65.2	-46	172.7	-65.2	162.4	0	0	0	110.8	T190 W191 R192 W196 L197 E231 M232	T190-I194 HydrophobicContact CG2-CD1 4.35Å; T190-I194 WeakPolarHBondContact O-CG1 3.5Å; T190-I194 PolarHBondContact O-N 3.28Å; T190-I194 VanDerWaalsContact O-N 3.1Å; W191-I194 HydrophobicContact CD2-CD1 4.44Å; W191-I194 HydrophobicContact CE3-CD1 3.69Å; W191-I194 HydrophobicContact CZ3-CD1 3.95Å; W191-I194 PolarHBondContact O-N 2.95Å; R192-I194 VanDerWaalsContact C-N 3.28Å; R192-I194 PolarHBondContact O-N 2.87Å; I194-W196 VanDerWaalsContact C-N 3.34Å; I194-L197 WeakPolarHBondContact O-CB 3.49Å; I194-L197 PolarHBondContact O-N 2.94Å; I194-E231 HydrophobicContact CD1-CB 3.9Å; I194-E231 HydrophobicContact CD1-CG 4.25Å; I194-E231 HydrophobicContact CG1-CB 4.43Å; I194-E231 HydrophobicContact CG2-CB 4.18Å; I194-M232 HydrophobicContact CG1-CE 3.84Å; I194-M232 HydrophobicContact CG1-CG 4.1Å
195	R	98.7	Very high	97.4	Very high	105 Å²	105	47.9 Å²	47.9	40%	0.396	23%	0.231	S	C	.	.	H	α-helix	trans	-66.1	-37.3	176.3	-66.6	-172.3	-60.1	-86.8	2.3	112.3	E137 W191 R192 L197 D198 R199	E137-R195 IonicContact OE1-CZ 3.03Å; E137-R195 IonicContact OE1-NE 2.94Å; E137-R195 PolarHBondContact OE1-NE 2.97Å; E137-R195 IonicContact OE1-NH2 3.28Å; E137-R195 IonicContact OE2-CZ 3.58Å; E137-R195 IonicContact OE2-NE 2.59Å; E137-R195 IonicContact OE2-NH2 3.51Å; E137-R195 PolarHBondContact OE2-NH2 3.46Å; W191-R195 PolarHBondContact O-N 2.83Å; W191-R195 VanDerWaalsContact O-N 3.17Å; W191-R195 PolarHBondContact O-NH1 2.86Å; R192-R195 PolarHBondContact O-N 2.98Å; R192-R195 VanDerWaalsContact O-N 3.11Å; R195-L197 VanDerWaalsContact C-N 3.31Å; R195-L197 PolarHBondContact O-N 2.8Å; R195-D198 PolarHBondContact O-N 3.21Å; R195-R199 PolarHBondContact O-N 3.15Å
196	W	98.7	Very high	97.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-67.4	-30.1	176.3	-76.4	9.2	0	0	0	112.7	V135 T136 E137 V140 P155 L173 D175 R192 S193 I194 R199 C200	V135-W196 HydrophobicContact CG1-CH2 3.87Å; V135-W196 HydrophobicContact CG1-CZ2 4.39Å; T136-W196 VanDerWaalsContact O-CZ2 3.3Å; T136-W196 WeakPolarHBondContact O-CZ2 3.4Å; E137-W196 PolarHBondContact O-NE1 2.84Å; V140-W196 HydrophobicContact CG2-CH2 3.95Å; V140-W196 HydrophobicContact CG2-CZ3 4.31Å; P155-W196 HydrophobicContact CG-CB 3.8Å; P155-W196 HydrophobicContact CG-CD2 3.75Å; P155-W196 HydrophobicContact CG-CE3 4.36Å; P155-W196 HydrophobicContact CG-CG 3.51Å; L173-W196 HydrophobicContact CB-CE3 4.37Å; L173-W196 HydrophobicContact CD2-CE3 4.12Å; L173-W196 HydrophobicContact CD2-CH2 4.38Å; L173-W196 HydrophobicContact CD2-CZ3 3.9Å; L173-W196 HydrophobicContact CG-CE3 3.87Å; L173-W196 HydrophobicContact CG-CZ3 3.79Å; D175-W196 HydrophobicContact CB-CH2 4.49Å; D175-W196 HydrophobicContact CB-CZ3 4.13Å; R192-W196 HydrophobicContact CG-CD2 3.92Å; R192-W196 HydrophobicContact CG-CG 4.21Å; R192-W196 HydrophobicContact CG-CZ2 3.97Å; R192-W196 WeakPolarHBondContact O-CB 3.27Å; R192-W196 PolarHBondContact O-N 2.86Å; S193-W196 PolarHBondContact O-N 3.05Å; I194-W196 VanDerWaalsContact C-N 3.34Å; W196-R199 PolarHBondContact O-N 3.07Å; W196-C200 WeakPolarHBondContact O-CB 3.49Å; W196-C200 PolarHBondContact O-N 3.01Å; W196-C200 PolarHBondContact O-SG 3.28Å
197	L	98.8	Very high	97.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-46.4	171.1	176.3	59.3	0	0	0	111.1	Q172 S193 I194 R195 R199 C200 I201 L212 A214 M232 R235 V237	Q172-L197 HydrophobicContact CB-CD1 4.18Å; S193-L197 PolarHBondContact O-N 3.37Å; I194-L197 WeakPolarHBondContact O-CB 3.49Å; I194-L197 PolarHBondContact O-N 2.94Å; R195-L197 VanDerWaalsContact C-N 3.31Å; R195-L197 PolarHBondContact O-N 2.8Å; L197-R199 VanDerWaalsContact C-N 3.28Å; L197-R199 PolarHBondContact O-N 3.49Å; L197-C200 WeakPolarHBondContact O-CB 3.42Å; L197-C200 PolarHBondContact O-N 2.78Å; L197-C200 VanDerWaalsContact O-N 3.1Å; L197-I201 HydrophobicContact CD1-CD1 4.04Å; L197-I201 HydrophobicContact CD1-CG1 4.14Å; L197-I201 HydrophobicContact CG-CD1 3.9Å; L197-I201 HydrophobicContact CG-CG1 4.45Å; L197-I201 WeakPolarHBondContact O-CG1 3.41Å; L197-I201 PolarHBondContact O-N 3.24Å; L197-L212 HydrophobicContact CD1-CD2 4.48Å; L197-A214 HydrophobicContact CD1-CB 3.85Å; L197-A214 HydrophobicContact CD2-CB 3.63Å; L197-A214 HydrophobicContact CG-CB 4.39Å; L197-M232 HydrophobicContact CD2-CB 4.26Å; L197-M232 HydrophobicContact CD2-CG 3.99Å; L197-M232 HydrophobicContact CD2-SD 4.33Å; L197-R235 HydrophobicContact CD2-CB 4.37Å; L197-R235 HydrophobicContact CD2-CG 4.27Å; L197-V237 HydrophobicContact CD1-CG1 4.32Å
198	D	98.7	Very high	97.2	Very high	65 Å²	65	47.9 Å²	47.9	35%	0.348	24%	0.242	S	C	.	.	H	α-helix	trans	-61.5	-39.2	179.3	-64.2	-33.1	0	0	0	111.5	R195 I201 A202 R235	R195-D198 PolarHBondContact O-N 3.21Å; D198-I201 PolarHBondContact O-N 2.73Å; D198-A202 PolarHBondContact O-N 3.28Å; D198-R235 IonicContact OD1-CZ 3.99Å; D198-R235 IonicContact OD1-NE 3.13Å; D198-R235 PolarHBondContact OD1-NE 2.7Å; D198-R235 IonicContact OD1-NH2 2.71Å; D198-R235 PolarHBondContact OD1-NH2 2.91Å; D198-R235 IonicContact OD2-CZ 3.7Å; D198-R235 IonicContact OD2-NE 2.71Å; D198-R235 IonicContact OD2-NH2 2.78Å; D198-R235 PolarHBondContact OD2-NH2 3.33Å
199	R	98.7	Very high	97	Very high	60 Å²	60	51.8 Å²	51.8	23%	0.226	25%	0.253	C	S	.	.	H	α-helix	trans	-64.4	-41.9	173	-69.8	170.5	63.3	-172.4	2.9	112.3	E137 E138 P155 E156 R195 W196 L197 A202 A203	E137-R199 PolarHBondContact O-NH1 3.33Å; E138-R199 PolarHBondContact O-NH1 3.47Å; E138-R199 PolarHBondContact O-NH2 3.12Å; P155-R199 HydrophobicContact CB-CB 3.79Å; P155-R199 HydrophobicContact CG-CB 4.32Å; E156-R199 WeakPolarHBondContact OE1-CB 3.3Å; E156-R199 IonicContact OE1-CZ 3.6Å; E156-R199 IonicContact OE1-NE 3.66Å; E156-R199 PolarHBondContact OE1-NE 3.31Å; E156-R199 IonicContact OE1-NH2 2.78Å; E156-R199 PolarHBondContact OE1-NH2 3.04Å; E156-R199 IonicContact OE2-CZ 2.75Å; E156-R199 IonicContact OE2-NE 3.39Å; E156-R199 IonicContact OE2-NH2 3.59Å; E156-R199 PolarHBondContact OE2-NH2 3.2Å; R195-R199 PolarHBondContact O-N 3.15Å; W196-R199 PolarHBondContact O-N 3.07Å; L197-R199 VanDerWaalsContact C-N 3.28Å; L197-R199 PolarHBondContact O-N 3.49Å; R199-A202 PolarHBondContact O-N 3.07Å; R199-A203 VanDerWaalsContact O-CB 3.29Å; R199-A203 WeakPolarHBondContact O-CB 3.44Å; R199-A203 PolarHBondContact O-N 2.89Å
200	C	98.6	Very high	97.1	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.5	-42.9	176.5	-70.1	0	0	0	0	111.9	I159 Q172 L173 W196 L197 A202 A203 N204 L212	I159-C200 HydrophobicContact CD1-CB 3.92Å; I159-C200 HydrophobicContact CG1-CB 3.78Å; Q172-C200 HydrophobicContact CB-CB 4.17Å; L173-C200 PolarHBondContact N-SG 3.29Å; W196-C200 WeakPolarHBondContact O-CB 3.49Å; W196-C200 PolarHBondContact O-N 3.01Å; W196-C200 PolarHBondContact O-SG 3.28Å; L197-C200 WeakPolarHBondContact O-CB 3.42Å; L197-C200 PolarHBondContact O-N 2.78Å; L197-C200 VanDerWaalsContact O-N 3.1Å; C200-A202 VanDerWaalsContact C-N 3.35Å; C200-A203 PolarHBondContact O-N 2.94Å; C200-N204 PolarHBondContact O-N 3.34Å; C200-N204 VanDerWaalsContact O-N 3.15Å; C200-L212 HydrophobicContact CB-CD1 4.39Å; C200-L212 HydrophobicContact CB-CD2 3.83Å
201	I	98.3	Very high	97.1	Very high	69 Å²	69	52 Å²	52	35%	0.354	25%	0.254	S	S	.	.	H	α-helix	trans	-59.8	-47.7	176.8	-69.1	165.8	0	0	0	109.9	L197 D198 A203 N204 L212 R235 V237	L197-I201 HydrophobicContact CD1-CD1 4.04Å; L197-I201 HydrophobicContact CD1-CG1 4.14Å; L197-I201 HydrophobicContact CG-CD1 3.9Å; L197-I201 HydrophobicContact CG-CG1 4.45Å; L197-I201 WeakPolarHBondContact O-CG1 3.41Å; L197-I201 PolarHBondContact O-N 3.24Å; D198-I201 PolarHBondContact O-N 2.73Å; I201-A203 VanDerWaalsContact C-N 3.29Å; I201-A203 PolarHBondContact O-N 3.08Å; I201-N204 PolarHBondContact O-N 2.91Å; I201-L212 HydrophobicContact CB-CD2 4.4Å; I201-L212 HydrophobicContact CG1-CD2 3.72Å; I201-R235 HydrophobicContact CD1-CB 3.94Å; I201-R235 HydrophobicContact CD1-CG 3.82Å; I201-V237 HydrophobicContact CD1-CG1 3.97Å; I201-V237 HydrophobicContact CG1-CG1 4.23Å
202	A	98.3	Very high	97.1	Very high	90 Å²	90	48 Å²	48	74%	0.744	24%	0.239	S	C	*	.	H	α-helix	trans	-65.5	-31.1	178.9	0	0	0	0	0	113.3	D198 R199 C200	D198-A202 PolarHBondContact O-N 3.28Å; R199-A202 PolarHBondContact O-N 3.07Å; C200-A202 VanDerWaalsContact C-N 3.35Å
203	A	98.1	Very high	97.1	Very high	20 Å²	20	47.1 Å²	47.1	17%	0.165	24%	0.236	C	C	.	.	H	α-helix	trans	-80.2	-19.5	-178.7	0	0	0	0	0	114.2	E156 I159 R199 C200 I201 K205	E156-A203 HydrophobicContact CB-CB 4.2Å; E156-A203 HydrophobicContact CG-CB 4.17Å; I159-A203 HydrophobicContact CB-CB 3.95Å; I159-A203 HydrophobicContact CG1-CB 4.35Å; I159-A203 HydrophobicContact CG2-CB 3.95Å; R199-A203 VanDerWaalsContact O-CB 3.29Å; R199-A203 WeakPolarHBondContact O-CB 3.44Å; R199-A203 PolarHBondContact O-N 2.89Å; C200-A203 PolarHBondContact O-N 2.94Å; I201-A203 VanDerWaalsContact C-N 3.29Å; I201-A203 PolarHBondContact O-N 3.08Å; A203-K205 PolarHBondContact O-N 3.25Å
204	N	96.8	Very high	97.1	Very high	21 Å²	21	47.1 Å²	47.1	11%	0.112	24%	0.236	C	C	.	.			trans	-71.5	112.1	-176.1	-176.1	12.4	0	0	0	111.2	I159 N163 C200 I201 N206	I159-N204 HydrophobicContact CG2-CB 4.02Å; N163-N204 PolarHBondContact ND2-OD1 3.44Å; C200-N204 PolarHBondContact O-N 3.34Å; C200-N204 VanDerWaalsContact O-N 3.15Å; I201-N204 PolarHBondContact O-N 2.91Å; N204-N206 PolarHBondContact OD1-N 3.04Å; N204-N206 VanDerWaalsContact OD1-N 3.1Å
205	K	95.1	Very high	97.1	Very high	171 Å²	171	46.8 Å²	46.8	74%	0.743	23%	0.234	S	C	*	.	S	Bend	trans	-86.2	-11.4	-178.5	-61.1	179.2	-179.4	173.7	0	113.8	N163 A203 P207	N163-K205 WeakPolarHBondContact OD1-CB 3.43Å; N163-K205 PolarHBondContact OD1-N 3.01Å; A203-K205 PolarHBondContact O-N 3.25Å; K205-P207 WeakPolarHBondContact O-CD 3.43Å
206	N	94.1	Very high	97.1	Very high	46 Å²	46	41.8 Å²	41.8	25%	0.246	22%	0.215	C	C	.	.			trans	-124	47.7	-173.1	-57.4	-41.1	0	0	0	113	N204 D208 R209 Q210	N204-N206 PolarHBondContact OD1-N 3.04Å; N204-N206 VanDerWaalsContact OD1-N 3.1Å; N206-D208 PolarHBondContact O-N 3.42Å; N206-D208 VanDerWaalsContact O-N 3.15Å; N206-R209 HydrophobicContact CB-CB 4.43Å; N206-R209 PolarHBondContact O-N 3.14Å; N206-Q210 HydrophobicContact CB-CG 4.05Å; N206-Q210 PolarHBondContact ND2-OE1 3.37Å; N206-Q210 PolarHBondContact O-N 2.65Å
207	P	93.6	Very high	97	Very high	56 Å²	56	42.1 Å²	42.1	36%	0.364	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-17.4	-175	29.8	-37.1	0	0	0	114	I26 P29 K205	I26-P207 HydrophobicContact CD1-CG 4.3Å; P29-P207 WeakPolarHBondContact CD-O 3.45Å; K205-P207 WeakPolarHBondContact O-CD 3.43Å
208	D	92.4	Very high	96.7	Very high	91 Å²	91	42.1 Å²	42.1	49%	0.487	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84	-10.9	174.7	65.4	-44.2	0	0	0	113.3	I26 P29 N206	I26-D208 HydrophobicContact CG2-CB 3.94Å; P29-D208 WeakPolarHBondContact CB-O 3.46Å; P29-D208 WeakPolarHBondContact CG-O 3.2Å; N206-D208 PolarHBondContact O-N 3.42Å; N206-D208 VanDerWaalsContact O-N 3.15Å
209	R	92.8	Very high	96.4	Very high	171 Å²	171	39.5 Å²	39.5	65%	0.645	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-26	-177.3	-62.5	177.4	66.3	-170.5	-0.5	114.3	P51 N206	P51-R209 VanDerWaalsContact CG-O 3.24Å; P51-R209 WeakPolarHBondContact CG-O 3.42Å; N206-R209 HydrophobicContact CB-CB 4.43Å; N206-R209 PolarHBondContact O-N 3.14Å
210	Q	96.3	Very high	96.2	Very high	7 Å²	7	39.2 Å²	39.2	3%	0.033	21%	0.208	C	C	.	.			trans	-129.9	136.9	-176.3	-50.2	-175.5	-99.7	0	0	111.3	Q162 N163 S167 M170 N206	Q162-Q210 PolarHBondContact O-NE2 2.89Å; N163-Q210 PolarHBondContact ND2-OE1 3.16Å; S167-Q210 WeakPolarHBondContact O-CB 3.47Å; S167-Q210 WeakPolarHBondContact O-CG 3.38Å; S167-Q210 PolarHBondContact O-NE2 3.1Å; M170-Q210 HydrophobicContact CE-CB 3.34Å; M170-Q210 HydrophobicContact CE-CG 3.95Å; N206-Q210 HydrophobicContact CB-CG 4.05Å; N206-Q210 PolarHBondContact ND2-OE1 3.37Å; N206-Q210 PolarHBondContact O-N 2.65Å
211	N	97.9	Very high	96.1	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.011	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	111.4	-170.7	-61.6	-78.5	0	0	0	111	P29 L30 D168 I169 M170 F213 P238	P29-N211 WeakPolarHBondContact CD-OD1 3.43Å; P29-N211 WeakPolarHBondContact CG-OD1 3.36Å; L30-N211 HydrophobicContact CB-CB 4.26Å; L30-N211 WeakPolarHBondContact CB-OD1 3.29Å; L30-N211 HydrophobicContact CD1-CB 4.4Å; L30-N211 PolarHBondContact N-OD1 2.9Å; D168-N211 WeakPolarHBondContact O-CB 3.3Å; D168-N211 PolarHBondContact O-N 3.16Å; D168-N211 PolarHBondContact O-ND2 3.08Å; I169-N211 CarbonylContact C-O 3.51Å; I169-N211 WeakPolarHBondContact CA-O 3.24Å; I169-N211 HydrophobicContact CG1-CB 4.37Å; M170-N211 PolarHBondContact N-O 3.49Å; N211-F213 HydrophobicContact CB-CE1 4.37Å; N211-P238 HydrophobicContact CB-CB 4.08Å; N211-P238 HydrophobicContact CB-CG 3.58Å
212	L	98.3	Very high	96	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.042	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122.5	176.8	177.7	62.4	0	0	0	111.1	I159 M170 Q172 L197 C200 I201 P238	I159-L212 HydrophobicContact CD1-CD1 3.76Å; M170-L212 HydrophobicContact CG-CB 4.02Å; M170-L212 HydrophobicContact CG-CD1 3.88Å; M170-L212 CarbonylContact O-C 3.46Å; M170-L212 WeakPolarHBondContact O-CA 3.42Å; M170-L212 HydrophobicContact SD-CB 4.37Å; M170-L212 HydrophobicContact SD-CD1 4.35Å; Q172-L212 HydrophobicContact CB-CD1 4.17Å; L197-L212 HydrophobicContact CD1-CD2 4.48Å; C200-L212 HydrophobicContact CB-CD1 4.39Å; C200-L212 HydrophobicContact CB-CD2 3.83Å; I201-L212 HydrophobicContact CB-CD2 4.4Å; I201-L212 HydrophobicContact CG1-CD2 3.72Å; L212-P238 WeakPolarHBondContact O-CD 3.33Å; L212-P238 WeakPolarHBondContact O-CG 3.39Å
213	F	98.7	Very high	95.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	135.3	172.5	-81.4	31.2	0	0	0	110.5	L30 I169 M170 M171 Q172 N211 G239 P270 Y272 M292	L30-F213 HydrophobicContact CD1-CE1 3.77Å; L30-F213 HydrophobicContact CD1-CZ 3.89Å; I169-F213 HydrophobicContact CD1-CE1 4.29Å; I169-F213 HydrophobicContact CD1-CZ 3.96Å; I169-F213 HydrophobicContact CG1-CE1 4.33Å; I169-F213 HydrophobicContact CG1-CZ 4.5Å; I169-F213 HydrophobicContact CG2-CD1 3.65Å; I169-F213 HydrophobicContact CG2-CD2 4.24Å; I169-F213 HydrophobicContact CG2-CE1 3.73Å; I169-F213 HydrophobicContact CG2-CE2 4.31Å; I169-F213 HydrophobicContact CG2-CG 3.91Å; I169-F213 HydrophobicContact CG2-CZ 4.06Å; M170-F213 PolarHBondContact O-N 3.17Å; M171-F213 HydrophobicContact CE-CB 3.86Å; M171-F213 HydrophobicContact SD-CB 3.73Å; M171-F213 HydrophobicContact SD-CD2 4.48Å; M171-F213 HydrophobicContact SD-CG 4.37Å; Q172-F213 PolarHBondContact N-O 3.13Å; Q172-F213 VanDerWaalsContact N-O 3.13Å; N211-F213 HydrophobicContact CB-CE1 4.37Å; F213-G239 WeakPolarHBondContact CA-O 3.24Å; F213-P270 HydrophobicContact CE1-CG 4.27Å; F213-P270 HydrophobicContact CE2-CB 4.39Å; F213-P270 HydrophobicContact CE2-CG 3.9Å; F213-P270 HydrophobicContact CZ-CB 4.26Å; F213-P270 HydrophobicContact CZ-CG 3.42Å; F213-P270 VanDerWaalsContact CZ-CG 3.42Å; F213-Y272 HydrophobicContact CD2-CD1 4.46Å; F213-M292 HydrophobicContact CE2-SD 4.07Å; F213-M292 HydrophobicContact CZ-SD 4.38Å
214	A	98.6	Very high	95.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	152.2	167.2	0	0	0	0	0	110.4	Q172 L197 M232 V237 G239 F240 A241	Q172-A214 VanDerWaalsContact OE1-CA 3.31Å; L197-A214 HydrophobicContact CD1-CB 3.85Å; L197-A214 HydrophobicContact CD2-CB 3.63Å; L197-A214 HydrophobicContact CG-CB 4.39Å; A214-M232 HydrophobicContact CB-SD 4.13Å; A214-V237 HydrophobicContact CB-CG2 3.91Å; A214-G239 PolarHBondContact N-O 3.26Å; A214-F240 HydrophobicContact CB-CD1 3.81Å; A214-F240 HydrophobicContact CB-CE1 3.94Å; A214-A241 PolarHBondContact O-N 2.83Å
215	I	98.4	Very high	95.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	110.1	179.8	-57	167.9	0	0	0	109.2	M171 Q172 D174 Q217 M232 A241 M274	M171-I215 HydrophobicContact CB-CD1 4.33Å; M171-I215 HydrophobicContact CE-CD1 4.02Å; M171-I215 HydrophobicContact CE-CG1 3.57Å; Q172-I215 HydrophobicContact CG-CB 4.14Å; Q172-I215 HydrophobicContact CG-CD1 3.85Å; Q172-I215 HydrophobicContact CG-CG1 3.77Å; Q172-I215 VanDerWaalsContact O-CD1 3.31Å; Q172-I215 WeakPolarHBondContact O-CD1 3.39Å; D174-I215 HydrophobicContact CB-CD1 4.15Å; I215-Q217 VanDerWaalsContact CG2-NE2 3.28Å; I215-Q217 PolarHBondContact O-N 3.29Å; I215-M232 VanDerWaalsContact O-CE 3.26Å; I215-M232 WeakPolarHBondContact O-CE 3.1Å; I215-A241 HydrophobicContact CG1-CB 4.22Å; I215-M274 HydrophobicContact CD1-CE 4.35Å; I215-M274 HydrophobicContact CD1-SD 4.29Å; I215-M274 HydrophobicContact CG1-SD 4.21Å; I215-M274 HydrophobicContact CG2-SD 3.97Å
216	I	98.3	Very high	96.1	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	121.9	176.7	-55.4	-53.3	0	0	0	110.1	R225 L229 M232 F240 A241 G243 L265	I216-R225 HydrophobicContact CG2-CG 4.16Å; I216-L229 HydrophobicContact CB-CD2 4.5Å; I216-L229 HydrophobicContact CD1-CD2 3.91Å; I216-L229 HydrophobicContact CD1-CG 4.43Å; I216-L229 HydrophobicContact CG1-CD2 3.84Å; I216-L229 HydrophobicContact CG2-CD1 4.44Å; I216-L229 HydrophobicContact CG2-CD2 3.88Å; I216-L229 HydrophobicContact CG2-CG 3.75Å; I216-M232 HydrophobicContact CD1-CB 3.92Å; I216-M232 HydrophobicContact CD1-CG 4.37Å; I216-M232 HydrophobicContact CD1-SD 3.8Å; I216-F240 HydrophobicContact CD1-CD1 4.05Å; I216-A241 WeakPolarHBondContact CG1-O 3.37Å; I216-A241 PolarHBondContact N-O 3.19Å; I216-G243 PolarHBondContact O-N 2.71Å; I216-L265 HydrophobicContact CD1-CD2 4.19Å; I216-L265 HydrophobicContact CG1-CD2 4.02Å
217	Q	96.1	Very high	96.3	Very high	7 Å²	7	39.3 Å²	39.3	3%	0.033	20%	0.2	C	C	.	.			trans	-104.4	-159.7	177.7	-62.9	-60.3	-27.6	0	0	111.7	D174 T190 I215 C228	D174-Q217 PolarHBondContact OD2-NE2 3.3Å; T190-Q217 HydrophobicContact CG2-CB 4.21Å; I215-Q217 VanDerWaalsContact CG2-NE2 3.28Å; I215-Q217 PolarHBondContact O-N 3.29Å; Q217-C228 PolarHBondContact N-SG 3.16Å
218	G	93.9	Very high	96.5	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.			trans	109.2	-1.4	-179.8	0	0	0	0	0	114.6	T190 L220 N221	T190-G218 WeakPolarHBondContact OG1-CA 3.28Å; T190-G218 PolarHBondContact OG1-N 3.4Å; G218-L220 PolarHBondContact O-N 3.47Å; G218-N221 PolarHBondContact O-N 3.47Å; G218-N221 VanDerWaalsContact O-N 3.09Å
219	G	91.9	Very high	96.8	Very high	11 Å²	11	32.3 Å²	32.3	11%	0.113	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	-132.9	-178.4	0	0	0	0	0	111.5	R225	G219-R225 PolarHBondContact O-NE 3.35Å; G219-R225 VanDerWaalsContact O-NE 3.11Å; G219-R225 PolarHBondContact O-NH2 3.46Å
220	L	94.6	Very high	97.1	Very high	54 Å²	54	27.7 Å²	27.7	28%	0.283	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	9.3	175.4	-53.5	-179.3	0	0	0	113.3	S179 G218 L245 E249 D253 M257	S179-L220 WeakPolarHBondContact O-CD1 3.18Å; G218-L220 PolarHBondContact O-N 3.47Å; L220-L245 HydrophobicContact CD2-CD2 3.86Å; L220-E249 HydrophobicContact CD1-CB 3.78Å; L220-E249 HydrophobicContact CD2-CB 4.02Å; L220-E249 HydrophobicContact CD2-CG 4.17Å; L220-E249 HydrophobicContact CG-CB 4.44Å; L220-D253 HydrophobicContact CD1-CB 4.03Å; L220-D253 HydrophobicContact CD2-CB 4.11Å; L220-M257 HydrophobicContact CD2-CG 4.01Å
221	N	95.6	Very high	97.2	Very high	75 Å²	75	29.9 Å²	29.9	40%	0.401	16%	0.158	S	C	.	.			trans	-88.9	113	178.2	-177.9	-62	0	0	0	110	G218 E223 L224 R225	G218-N221 PolarHBondContact O-N 3.47Å; G218-N221 VanDerWaalsContact O-N 3.09Å; N221-E223 PolarHBondContact O-N 3.28Å; N221-E223 PolarHBondContact OD1-N 2.99Å; N221-E223 VanDerWaalsContact OD1-N 3.16Å; N221-E223 PolarHBondContact OD1-OE2 3.3Å; N221-L224 HydrophobicContact CB-CB 3.96Å; N221-L224 PolarHBondContact O-N 3.31Å; N221-L224 VanDerWaalsContact OD1-CB 3.27Å; N221-L224 WeakPolarHBondContact OD1-CB 3.45Å; N221-L224 PolarHBondContact OD1-N 3.12Å; N221-R225 VanDerWaalsContact O-CB 3.31Å; N221-R225 WeakPolarHBondContact O-CB 3.39Å; N221-R225 PolarHBondContact O-N 3.15Å
222	T	96.3	Very high	97.2	Very high	64 Å²	64	29.8 Å²	29.8	39%	0.393	16%	0.157	S	C	.	.	H	α-helix	trans	-57.9	-47.3	-176.6	-56.5	0	0	0	0	112.3	K226 M257 L260	T222-K226 WeakPolarHBondContact O-CB 3.09Å; T222-K226 PolarHBondContact O-N 2.85Å; T222-M257 WeakPolarHBondContact OG1-CE 3.26Å; T222-L260 HydrophobicContact CG2-CD1 4.29Å; T222-L260 HydrophobicContact CG2-CD2 3.79Å
223	E	97.1	Very high	97.2	Very high	136 Å²	136	31.7 Å²	31.7	64%	0.636	17%	0.169	S	C	*	.	H	α-helix	trans	-66.3	-43.8	-176.1	-64.7	71.6	-159.7	0	0	111	N221 K226 A227	N221-E223 PolarHBondContact O-N 3.28Å; N221-E223 PolarHBondContact OD1-N 2.99Å; N221-E223 VanDerWaalsContact OD1-N 3.16Å; N221-E223 PolarHBondContact OD1-OE2 3.3Å; E223-K226 PolarHBondContact O-N 3.11Å; E223-A227 PolarHBondContact O-N 2.98Å
224	L	97.3	Very high	97.2	Very high	18 Å²	18	38.2 Å²	38.2	9%	0.094	20%	0.198	C	C	.	.	H	α-helix	trans	-70.6	-40.2	179.8	-175.2	63.5	0	0	0	111.8	V186 E187 T190 N221 K226 A227 C228	V186-L224 HydrophobicContact CB-CD2 4.29Å; V186-L224 HydrophobicContact CG1-CD2 3.77Å; E187-L224 HydrophobicContact CB-CD1 4.35Å; E187-L224 HydrophobicContact CB-CD2 4.18Å; E187-L224 HydrophobicContact CG-CD1 4.17Å; T190-L224 HydrophobicContact CG2-CD1 3.86Å; T190-L224 HydrophobicContact CG2-CG 3.97Å; N221-L224 HydrophobicContact CB-CB 3.96Å; N221-L224 PolarHBondContact O-N 3.31Å; N221-L224 VanDerWaalsContact OD1-CB 3.27Å; N221-L224 WeakPolarHBondContact OD1-CB 3.45Å; N221-L224 PolarHBondContact OD1-N 3.12Å; L224-K226 VanDerWaalsContact C-N 3.31Å; L224-K226 PolarHBondContact O-N 2.9Å; L224-A227 PolarHBondContact O-N 3.4Å; L224-C228 WeakPolarHBondContact O-CB 3.3Å; L224-C228 PolarHBondContact O-N 3.37Å
225	R	97.8	Very high	97.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.4	-40.8	173.3	-177.1	168.8	-72.7	-85.3	-0.1	110.8	I216 G219 N221 C228 L229 G243 L260 S261	I216-R225 HydrophobicContact CG2-CG 4.16Å; G219-R225 PolarHBondContact O-NE 3.35Å; G219-R225 VanDerWaalsContact O-NE 3.11Å; G219-R225 PolarHBondContact O-NH2 3.46Å; N221-R225 VanDerWaalsContact O-CB 3.31Å; N221-R225 WeakPolarHBondContact O-CB 3.39Å; N221-R225 PolarHBondContact O-N 3.15Å; R225-C228 WeakPolarHBondContact O-CB 3.41Å; R225-C228 PolarHBondContact O-N 3.03Å; R225-L229 HydrophobicContact CG-CD1 4.09Å; R225-L229 WeakPolarHBondContact O-CD1 3.24Å; R225-L229 WeakPolarHBondContact O-CG 3.39Å; R225-L229 PolarHBondContact O-N 3.2Å; R225-G243 PolarHBondContact NH2-O 3.46Å; R225-L260 HydrophobicContact CB-CD2 4.03Å; R225-L260 HydrophobicContact CG-CD2 4.03Å; R225-S261 WeakPolarHBondContact CD-OG 3.31Å; R225-S261 PolarHBondContact NH1-OG 3.31Å
226	K	98.2	Very high	96.9	Very high	95 Å²	95	47.4 Å²	47.4	41%	0.413	24%	0.243	S	C	.	.	H	α-helix	trans	-63.1	-45.8	173.4	-171.7	175.6	-178.9	179.5	0	112.2	T222 E223 L224 C228 L229 D230	T222-K226 WeakPolarHBondContact O-CB 3.09Å; T222-K226 PolarHBondContact O-N 2.85Å; E223-K226 PolarHBondContact O-N 3.11Å; L224-K226 VanDerWaalsContact C-N 3.31Å; L224-K226 PolarHBondContact O-N 2.9Å; K226-C228 VanDerWaalsContact C-N 3.27Å; K226-C228 PolarHBondContact O-N 2.8Å; K226-L229 WeakPolarHBondContact O-CB 3.33Å; K226-L229 PolarHBondContact O-N 2.92Å; K226-L229 VanDerWaalsContact O-N 3.17Å; K226-D230 WeakPolarHBondContact O-CB 3.4Å; K226-D230 VanDerWaalsContact O-CG 3.31Å; K226-D230 PolarHBondContact O-N 3.17Å
227	A	98.4	Very high	96.9	Very high	30 Å²	30	47.6 Å²	47.6	25%	0.248	25%	0.245	C	C	.	.	H	α-helix	trans	-58.6	-40.6	174.5	0	0	0	0	0	111.7	E223 L224 D230 E231	E223-A227 PolarHBondContact O-N 2.98Å; L224-A227 PolarHBondContact O-N 3.4Å; A227-D230 PolarHBondContact O-N 2.93Å; A227-E231 WeakPolarHBondContact O-CB 3.47Å; A227-E231 WeakPolarHBondContact O-CG 3.22Å; A227-E231 PolarHBondContact O-N 2.94Å
228	C	98.4	Very high	96.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-62.8	-45.1	175	-168.9	0	0	0	0	112.4	T190 Q217 L224 R225 K226 E231 M232	T190-C228 HydrophobicContact CG2-CB 3.66Å; Q217-C228 PolarHBondContact N-SG 3.16Å; L224-C228 WeakPolarHBondContact O-CB 3.3Å; L224-C228 PolarHBondContact O-N 3.37Å; R225-C228 WeakPolarHBondContact O-CB 3.41Å; R225-C228 PolarHBondContact O-N 3.03Å; K226-C228 VanDerWaalsContact C-N 3.27Å; K226-C228 PolarHBondContact O-N 2.8Å; C228-E231 PolarHBondContact O-N 2.95Å; C228-M232 WeakPolarHBondContact O-CB 3.39Å; C228-M232 WeakPolarHBondContact O-CG 3.44Å; C228-M232 PolarHBondContact O-N 3.25Å
229	L	98.5	Very high	97.1	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-58.5	-51.4	174.5	-74.7	152.6	0	0	0	111.2	I216 R225 K226 E231 M232 T233 H264 L265	I216-L229 HydrophobicContact CB-CD2 4.5Å; I216-L229 HydrophobicContact CD1-CD2 3.91Å; I216-L229 HydrophobicContact CD1-CG 4.43Å; I216-L229 HydrophobicContact CG1-CD2 3.84Å; I216-L229 HydrophobicContact CG2-CD1 4.44Å; I216-L229 HydrophobicContact CG2-CD2 3.88Å; I216-L229 HydrophobicContact CG2-CG 3.75Å; R225-L229 HydrophobicContact CG-CD1 4.09Å; R225-L229 WeakPolarHBondContact O-CD1 3.24Å; R225-L229 WeakPolarHBondContact O-CG 3.39Å; R225-L229 PolarHBondContact O-N 3.2Å; K226-L229 WeakPolarHBondContact O-CB 3.33Å; K226-L229 PolarHBondContact O-N 2.92Å; K226-L229 VanDerWaalsContact O-N 3.17Å; L229-E231 VanDerWaalsContact C-N 3.27Å; L229-E231 PolarHBondContact O-N 2.74Å; L229-M232 PolarHBondContact O-N 2.71Å; L229-T233 VanDerWaalsContact O-CB 3.31Å; L229-T233 WeakPolarHBondContact O-CB 3.47Å; L229-T233 WeakPolarHBondContact O-CG2 3.46Å; L229-T233 PolarHBondContact O-N 3.11Å; L229-T233 PolarHBondContact O-OG1 3.43Å; L229-H264 HydrophobicContact CB-CB 4.22Å; L229-H264 HydrophobicContact CD1-CB 3.95Å; L229-H264 HydrophobicContact CD2-CB 4.17Å; L229-H264 HydrophobicContact CG-CB 4.33Å; L229-L265 HydrophobicContact CD2-CD2 3.7Å; L229-L265 HydrophobicContact CD2-CG 3.77Å
230	D	98.4	Very high	97.5	Very high	74 Å²	74	47.9 Å²	47.9	40%	0.396	25%	0.245	S	C	.	.	H	α-helix	trans	-60.9	-37.2	-178.6	-69.8	-17	0	0	0	111.5	K226 A227 T233 K234	K226-D230 WeakPolarHBondContact O-CB 3.4Å; K226-D230 VanDerWaalsContact O-CG 3.31Å; K226-D230 PolarHBondContact O-N 3.17Å; A227-D230 PolarHBondContact O-N 2.93Å; D230-T233 PolarHBondContact O-OG1 3.06Å; D230-K234 VanDerWaalsContact O-CE 3.26Å; D230-K234 WeakPolarHBondContact O-CE 3.49Å; D230-K234 WeakPolarHBondContact O-CG 3.5Å
231	E	98.6	Very high	97.7	Very high	52 Å²	52	45.3 Å²	45.3	24%	0.243	23%	0.231	C	C	.	.	H	α-helix	trans	-77	-49.4	177.2	-72.1	-56	141.2	0	0	113.3	W191 I194 A227 C228 L229 T233 K234 R235	W191-E231 HydrophobicContact CH2-CG 4.33Å; W191-E231 HydrophobicContact CZ3-CG 3.94Å; I194-E231 HydrophobicContact CD1-CB 3.9Å; I194-E231 HydrophobicContact CD1-CG 4.25Å; I194-E231 HydrophobicContact CG1-CB 4.43Å; I194-E231 HydrophobicContact CG2-CB 4.18Å; A227-E231 WeakPolarHBondContact O-CB 3.47Å; A227-E231 WeakPolarHBondContact O-CG 3.22Å; A227-E231 PolarHBondContact O-N 2.94Å; C228-E231 PolarHBondContact O-N 2.95Å; L229-E231 VanDerWaalsContact C-N 3.27Å; L229-E231 PolarHBondContact O-N 2.74Å; E231-T233 VanDerWaalsContact C-N 3.31Å; E231-T233 PolarHBondContact O-N 3.02Å; E231-K234 WeakPolarHBondContact O-CB 3.42Å; E231-K234 PolarHBondContact O-N 3.25Å; E231-K234 IonicContact OE1-NZ 3.76Å; E231-K234 PolarHBondContact OE1-NZ 3.26Å; E231-K234 IonicContact OE2-NZ 3.38Å; E231-K234 PolarHBondContact OE2-NZ 2.53Å; E231-R235 PolarHBondContact O-NH1 2.93Å; E231-R235 IonicContact OE2-NH1 3.58Å
232	M	98.5	Very high	97.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-68.3	-32.1	-174.9	-71.8	-167	170.6	0	0	112.1	I194 L197 A214 I215 I216 C228 L229 K234 R235 F240	I194-M232 HydrophobicContact CG1-CE 3.84Å; I194-M232 HydrophobicContact CG1-CG 4.1Å; L197-M232 HydrophobicContact CD2-CB 4.26Å; L197-M232 HydrophobicContact CD2-CG 3.99Å; L197-M232 HydrophobicContact CD2-SD 4.33Å; A214-M232 HydrophobicContact CB-SD 4.13Å; I215-M232 VanDerWaalsContact O-CE 3.26Å; I215-M232 WeakPolarHBondContact O-CE 3.1Å; I216-M232 HydrophobicContact CD1-CB 3.92Å; I216-M232 HydrophobicContact CD1-CG 4.37Å; I216-M232 HydrophobicContact CD1-SD 3.8Å; C228-M232 WeakPolarHBondContact O-CB 3.39Å; C228-M232 WeakPolarHBondContact O-CG 3.44Å; C228-M232 PolarHBondContact O-N 3.25Å; L229-M232 PolarHBondContact O-N 2.71Å; M232-K234 PolarHBondContact O-N 3.14Å; M232-R235 PolarHBondContact O-N 3.02Å; M232-F240 HydrophobicContact CB-CE1 4.3Å
233	T	98	Very high	97.7	Very high	49 Å²	49	38.9 Å²	38.9	30%	0.301	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-13.4	178.3	56.2	0	0	0	0	114	L229 D230 E231 R235 F240 L265 P266	L229-T233 VanDerWaalsContact O-CB 3.31Å; L229-T233 WeakPolarHBondContact O-CB 3.47Å; L229-T233 WeakPolarHBondContact O-CG2 3.46Å; L229-T233 PolarHBondContact O-N 3.11Å; L229-T233 PolarHBondContact O-OG1 3.43Å; D230-T233 PolarHBondContact O-OG1 3.06Å; E231-T233 VanDerWaalsContact C-N 3.31Å; E231-T233 PolarHBondContact O-N 3.02Å; T233-R235 PolarHBondContact O-N 3.43Å; T233-F240 HydrophobicContact CG2-CE1 4.26Å; T233-F240 HydrophobicContact CG2-CZ 4.13Å; T233-L265 HydrophobicContact CG2-CD2 4.46Å; T233-P266 HydrophobicContact CG2-CG 4.15Å
234	K	98.1	Very high	97.3	Very high	137 Å²	137	33.5 Å²	33.5	60%	0.596	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.6	169.2	-61.9	169.4	-169.4	173.1	0	112.7	D230 E231 M232	D230-K234 VanDerWaalsContact O-CE 3.26Å; D230-K234 WeakPolarHBondContact O-CE 3.49Å; D230-K234 WeakPolarHBondContact O-CG 3.5Å; E231-K234 WeakPolarHBondContact O-CB 3.42Å; E231-K234 PolarHBondContact O-N 3.25Å; E231-K234 IonicContact OE1-NZ 3.76Å; E231-K234 PolarHBondContact OE1-NZ 3.26Å; E231-K234 IonicContact OE2-NZ 3.38Å; E231-K234 PolarHBondContact OE2-NZ 2.53Å; M232-K234 PolarHBondContact O-N 3.14Å
235	R	97.6	Very high	96.9	Very high	47 Å²	47	32.7 Å²	32.7	18%	0.177	17%	0.172	C	C	.	.	S	Bend	trans	-89.1	130.8	177.1	-71.3	74.9	170.4	172.8	1.5	109.4	L197 D198 I201 E231 M232 T233 V237	L197-R235 HydrophobicContact CD2-CB 4.37Å; L197-R235 HydrophobicContact CD2-CG 4.27Å; D198-R235 IonicContact OD1-CZ 3.99Å; D198-R235 IonicContact OD1-NE 3.13Å; D198-R235 PolarHBondContact OD1-NE 2.7Å; D198-R235 IonicContact OD1-NH2 2.71Å; D198-R235 PolarHBondContact OD1-NH2 2.91Å; D198-R235 IonicContact OD2-CZ 3.7Å; D198-R235 IonicContact OD2-NE 2.71Å; D198-R235 IonicContact OD2-NH2 2.78Å; D198-R235 PolarHBondContact OD2-NH2 3.33Å; I201-R235 HydrophobicContact CD1-CB 3.94Å; I201-R235 HydrophobicContact CD1-CG 3.82Å; E231-R235 PolarHBondContact O-NH1 2.93Å; E231-R235 IonicContact OE2-NH1 3.58Å; M232-R235 PolarHBondContact O-N 3.02Å; T233-R235 PolarHBondContact O-N 3.43Å; R235-V237 VanDerWaalsContact C-N 3.25Å; R235-V237 HydrophobicContact CB-CG1 4.43Å; R235-V237 PolarHBondContact O-N 2.96Å
236	D	94.6	Very high	95.9	Very high	145 Å²	145	35.7 Å²	35.7	78%	0.775	19%	0.193	S	C	*	.			trans	-81.8	69.9	179.1	-168	24.7	0	0	0	112.2	K269	D236-K269 IonicContact OD1-NZ 3.47Å; D236-K269 PolarHBondContact OD1-NZ 3.37Å
237	V	97	Very high	94.6	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.03	19%	0.194	C	C	.	.			trans	-91.2	146.4	174.1	-68	0	0	0	0	111.5	L197 I201 A214 R235 G239 F240 K269	L197-V237 HydrophobicContact CD1-CG1 4.32Å; I201-V237 HydrophobicContact CD1-CG1 3.97Å; I201-V237 HydrophobicContact CG1-CG1 4.23Å; A214-V237 HydrophobicContact CB-CG2 3.91Å; R235-V237 VanDerWaalsContact C-N 3.25Å; R235-V237 HydrophobicContact CB-CG1 4.43Å; R235-V237 PolarHBondContact O-N 2.96Å; V237-G239 WeakPolarHBondContact CG2-O 3.3Å; V237-G239 PolarHBondContact O-N 3.45Å; V237-G239 VanDerWaalsContact O-N 3.17Å; V237-F240 HydrophobicContact CG2-CD1 4.22Å; V237-F240 HydrophobicContact CG2-CE1 3.61Å; V237-F240 HydrophobicContact CG2-CE2 4Å; V237-F240 HydrophobicContact CG2-CZ 3.48Å; V237-F240 VanDerWaalsContact CG2-CZ 3.48Å; V237-K269 VanDerWaalsContact O-CD 3.3Å; V237-K269 WeakPolarHBondContact O-CD 3.2Å; V237-K269 WeakPolarHBondContact O-CE 3.47Å; V237-K269 PolarHBondContact O-NZ 3.3Å
238	P	97.4	Very high	93.7	Very high	23 Å²	23	34.6 Å²	34.6	15%	0.149	21%	0.212	C	C	.	.	S	Bend	trans	-65.2	-16.5	-176.6	22.2	-34.6	0	0	0	115.2	A28 L30 N211 L212 P270	A28-P238 HydrophobicContact CB-CB 4.2Å; L30-P238 HydrophobicContact CB-CB 4.17Å; N211-P238 HydrophobicContact CB-CB 4.08Å; N211-P238 HydrophobicContact CB-CG 3.58Å; L212-P238 WeakPolarHBondContact O-CD 3.33Å; L212-P238 WeakPolarHBondContact O-CG 3.39Å; P238-P270 VanDerWaalsContact O-CD 3.28Å; P238-P270 WeakPolarHBondContact O-CD 3.24Å
239	G	98.1	Very high	93.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.4	168.3	178.8	0	0	0	0	0	113.7	F213 A214 V237	F213-G239 WeakPolarHBondContact CA-O 3.24Å; A214-G239 PolarHBondContact N-O 3.26Å; V237-G239 WeakPolarHBondContact CG2-O 3.3Å; V237-G239 PolarHBondContact O-N 3.45Å; V237-G239 VanDerWaalsContact O-N 3.17Å
240	F	98.8	Very high	93	Very high	1 Å²	1	42.6 Å²	42.6	0%	0.004	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	134.3	-177.7	-67	-87.6	0	0	0	110.9	A214 I216 M232 T233 V237 L265 P266 K269 P270 R271 Y272	A214-F240 HydrophobicContact CB-CD1 3.81Å; A214-F240 HydrophobicContact CB-CE1 3.94Å; I216-F240 HydrophobicContact CD1-CD1 4.05Å; M232-F240 HydrophobicContact CB-CE1 4.3Å; T233-F240 HydrophobicContact CG2-CE1 4.26Å; T233-F240 HydrophobicContact CG2-CZ 4.13Å; V237-F240 HydrophobicContact CG2-CD1 4.22Å; V237-F240 HydrophobicContact CG2-CE1 3.61Å; V237-F240 HydrophobicContact CG2-CE2 4Å; V237-F240 HydrophobicContact CG2-CZ 3.48Å; V237-F240 VanDerWaalsContact CG2-CZ 3.48Å; F240-L265 HydrophobicContact CB-CD1 4.09Å; F240-L265 HydrophobicContact CB-CD2 3.46Å; F240-L265 VanDerWaalsContact CB-CD2 3.46Å; F240-L265 HydrophobicContact CB-CG 4.39Å; F240-L265 HydrophobicContact CD1-CD2 3.88Å; F240-L265 HydrophobicContact CD2-CD2 3.99Å; F240-L265 HydrophobicContact CG-CD2 3.51Å; F240-P266 HydrophobicContact CD2-CG 4.46Å; F240-P266 HydrophobicContact CE2-CG 3.88Å; F240-K269 HydrophobicContact CD2-CB 4.26Å; F240-K269 HydrophobicContact CD2-CD 4.13Å; F240-K269 HydrophobicContact CE2-CD 3.59Å; F240-P270 PolarHBondContact N-O 3.49Å; F240-P270 VanDerWaalsContact N-O 3.13Å; F240-R271 WeakPolarHBondContact O-CA 3.19Å; F240-Y272 PolarHBondContact O-N 2.87Å
241	A	98.6	Very high	92.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	154.1	169	0	0	0	0	0	111.6	M171 A214 I215 I216 Y272 M274	M171-A241 HydrophobicContact CE-CB 3.28Å; A214-A241 PolarHBondContact O-N 2.83Å; I215-A241 HydrophobicContact CG1-CB 4.22Å; I216-A241 WeakPolarHBondContact CG1-O 3.37Å; I216-A241 PolarHBondContact N-O 3.19Å; A241-Y272 CarbonylContact C-O 3.35Å; A241-Y272 WeakPolarHBondContact CA-O 3.38Å; A241-Y272 HydrophobicContact CB-CD1 3.81Å; A241-Y272 HydrophobicContact CB-CG 4.2Å; A241-Y272 WeakPolarHBondContact CB-O 3.26Å; A241-M274 HydrophobicContact CB-CG 4Å; A241-M274 HydrophobicContact CB-SD 3.75Å
242	I	98.3	Very high	92.7	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	106.6	175.9	-56.1	168.4	0	0	0	106.3	L245 T262 L265 Y272 L273 M274	I242-L245 HydrophobicContact CG2-CD1 3.58Å; I242-L245 HydrophobicContact CG2-CG 4.44Å; I242-T262 HydrophobicContact CD1-CG2 4.05Å; I242-L265 HydrophobicContact CD1-CD1 4.21Å; I242-L265 HydrophobicContact CG1-CD1 3.97Å; I242-Y272 PolarHBondContact N-O 2.95Å; I242-L273 HydrophobicContact CB-CD1 3.81Å; I242-L273 HydrophobicContact CD1-CD1 4.49Å; I242-L273 HydrophobicContact CG2-CD1 3.86Å; I242-M274 PolarHBondContact O-N 2.86Å
243	G	94.3	Very high	92.6	Very high	3 Å²	3	45.3 Å²	45.3	3%	0.031	26%	0.262	C	S	.	.			trans	-98.8	166.5	-178	0	0	0	0	0	113.4	I216 R225 L245	I216-G243 PolarHBondContact O-N 2.71Å; R225-G243 PolarHBondContact NH2-O 3.46Å; G243-L245 PolarHBondContact O-N 3.05Å
244	G	87.8	Confident	92.5	Very high	22 Å²	22	43 Å²	43	23%	0.227	25%	0.248	C	C	.	.	S	Bend	trans	71.4	23.7	172.3	0	0	0	0	0	115.3	S179	S179-G244 WeakPolarHBondContact CB-O 3.45Å
245	L	89	Confident	92.5	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.01	22%	0.223	C	C	.	.			trans	-127.6	40.5	-177.7	-61.9	-178.3	0	0	0	112	L220 I242 G243 E249 F254 M257 V258	L220-L245 HydrophobicContact CD2-CD2 3.86Å; I242-L245 HydrophobicContact CG2-CD1 3.58Å; I242-L245 HydrophobicContact CG2-CG 4.44Å; G243-L245 PolarHBondContact O-N 3.05Å; L245-E249 WeakPolarHBondContact CA-OE1 3.29Å; L245-F254 HydrophobicContact CB-CD2 3.89Å; L245-F254 HydrophobicContact CB-CE2 4.09Å; L245-F254 WeakPolarHBondContact O-CD2 3.46Å; L245-F254 WeakPolarHBondContact O-CE2 3.41Å; L245-M257 HydrophobicContact CD1-CB 3.66Å; L245-M257 HydrophobicContact CD2-CB 3.59Å; L245-M257 HydrophobicContact CD2-CG 4.02Å; L245-M257 HydrophobicContact CG-CB 4.29Å; L245-V258 HydrophobicContact CD1-CG2 3.85Å
246	S	78.4	Confident	92.6	Very high	62 Å²	62	40.2 Å²	40.2	43%	0.434	23%	0.234	S	C	.	.	S	Bend	trans	-146.8	29.9	175.6	74.4	0	0	0	0	111.6	E249	S246-E249 PolarHBondContact N-OE1 3.2Å
247	G	69.2	Low	92.7	Very high	42 Å²	42	33.9 Å²	33.9	43%	0.433	20%	0.199	S	C	.	.	S	Bend	trans	-112.9	1	-163	0	0	0	0	0	115.8	S179 E249	S179-G247 WeakPolarHBondContact OG-CA 3.34Å; G247-E249 PolarHBondContact N-OE2 2.8Å
248	G	79.4	Confident	92.8	Very high	61 Å²	61	33.6 Å²	33.6	63%	0.629	20%	0.198	S	C	*	.	S	Bend	trans	108.6	11.9	-179.6	0	0	0	0	0	114.3
249	E	89.9	Confident	92.8	Very high	25 Å²	25	33.4 Å²	33.4	12%	0.117	20%	0.196	C	C	.	.			trans	-60.9	155.5	169.3	67.3	-74.8	175.3	0	0	112.4	S179 L220 L245 S246 G247 F254	S179-E249 VanDerWaalsContact CB-OE2 3.32Å; S179-E249 WeakPolarHBondContact CB-OE2 3.48Å; S179-E249 PolarHBondContact OG-OE2 3.47Å; L220-E249 HydrophobicContact CD1-CB 3.78Å; L220-E249 HydrophobicContact CD2-CB 4.02Å; L220-E249 HydrophobicContact CD2-CG 4.17Å; L220-E249 HydrophobicContact CG-CB 4.44Å; L245-E249 WeakPolarHBondContact CA-OE1 3.29Å; S246-E249 PolarHBondContact N-OE1 3.2Å; G247-E249 PolarHBondContact N-OE2 2.8Å; E249-F254 HydrophobicContact CG-CB 3.88Å; E249-F254 WeakPolarHBondContact OE1-CD2 3.49Å
250	E	93.5	Very high	92.9	Very high	143 Å²	143	34.7 Å²	34.7	67%	0.668	20%	0.203	S	C	*	.			trans	-64.4	145.2	172.1	-69.4	-57.3	144.2	0	0	110.8	D252 D253 F254	E250-D252 PolarHBondContact O-N 3Å; E250-D252 VanDerWaalsContact O-N 3.16Å; E250-D253 PolarHBondContact O-N 3.23Å; E250-D253 VanDerWaalsContact O-N 3.1Å; E250-F254 PolarHBondContact O-N 3.49Å
251	K	95.2	Very high	92.8	Very high	64 Å²	64	34.6 Å²	34.6	28%	0.278	20%	0.203	S	C	.	.	H	α-helix	trans	-61.2	-30.4	-174.8	-76.7	-62.7	-168.9	-179.4	0	113.3	F254 W255 D281 W404	K251-F254 HydrophobicContact CD-CD1 4.36Å; K251-F254 WeakPolarHBondContact O-CB 3.36Å; K251-F254 PolarHBondContact O-N 2.91Å; K251-W255 PolarHBondContact O-N 3.45Å; K251-W255 VanDerWaalsContact O-N 3.14Å; K251-D281 IonicContact NZ-OD1 3.52Å; K251-D281 PolarHBondContact NZ-OD1 2.97Å; K251-D281 IonicContact NZ-OD2 2.61Å; K251-D281 PolarHBondContact NZ-OD2 3.15Å; K251-W404 HydrophobicContact CB-CB 3.8Å; K251-W404 VanDerWaalsContact CB-CD1 3.49Å; K251-W404 HydrophobicContact CB-CD2 3.68Å; K251-W404 HydrophobicContact CB-CE3 4.37Å; K251-W404 HydrophobicContact CB-CG 3.37Å; K251-W404 HydrophobicContact CD-CD2 4.33Å; K251-W404 HydrophobicContact CD-CZ2 4.2Å; K251-W404 HydrophobicContact CG-CD2 4.14Å; K251-W404 HydrophobicContact CG-CG 4.11Å
252	D	96.1	Very high	92.8	Very high	54 Å²	54	34.8 Å²	34.8	29%	0.289	20%	0.204	S	C	.	.	H	α-helix	trans	-69.4	-35.7	177.3	-87.4	-29.7	0	0	0	113.8	E250 W255 R256 W404	E250-D252 PolarHBondContact O-N 3Å; E250-D252 VanDerWaalsContact O-N 3.16Å; D252-W255 PolarHBondContact OD1-NE1 3.25Å; D252-R256 VanDerWaalsContact O-CD 3.28Å; D252-R256 WeakPolarHBondContact O-CD 3.5Å; D252-R256 WeakPolarHBondContact O-CG 3.21Å; D252-R256 IonicContact OD1-NH2 2.93Å; D252-W404 WeakPolarHBondContact OD1-CA 3.36Å; D252-W404 WeakPolarHBondContact OD1-CB 3.47Å
253	D	95.6	Very high	92.8	Very high	65 Å²	65	39 Å²	39	35%	0.348	23%	0.226	S	C	.	.	H	α-helix	trans	-74.7	-39.6	174.6	-62.2	-33.2	0	0	0	110.5	L220 E250 R256 M257	L220-D253 HydrophobicContact CD1-CB 4.03Å; L220-D253 HydrophobicContact CD2-CB 4.11Å; E250-D253 PolarHBondContact O-N 3.23Å; E250-D253 VanDerWaalsContact O-N 3.1Å; D253-R256 PolarHBondContact O-N 3.46Å; D253-R256 IonicContact OD1-NH1 2.79Å; D253-M257 WeakPolarHBondContact O-CG 3.47Å; D253-M257 PolarHBondContact O-N 3.01Å
254	F	96.8	Very high	93	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.009	24%	0.241	C	C	.	.	H	α-helix	trans	-51.8	-58.7	175.7	165.6	-98.3	0	0	0	112.3	L245 E249 E250 K251 R256 M257 V258 L273 V276 C285	L245-F254 HydrophobicContact CB-CD2 3.89Å; L245-F254 HydrophobicContact CB-CE2 4.09Å; L245-F254 WeakPolarHBondContact O-CD2 3.46Å; L245-F254 WeakPolarHBondContact O-CE2 3.41Å; E249-F254 HydrophobicContact CG-CB 3.88Å; E249-F254 WeakPolarHBondContact OE1-CD2 3.49Å; E250-F254 PolarHBondContact O-N 3.49Å; K251-F254 HydrophobicContact CD-CD1 4.36Å; K251-F254 WeakPolarHBondContact O-CB 3.36Å; K251-F254 PolarHBondContact O-N 2.91Å; F254-R256 VanDerWaalsContact C-N 3.31Å; F254-R256 PolarHBondContact O-N 2.71Å; F254-M257 PolarHBondContact O-N 3.41Å; F254-V258 HydrophobicContact CD2-CG2 4.43Å; F254-V258 HydrophobicContact CE1-CG2 4.34Å; F254-V258 HydrophobicContact CE2-CG2 4.02Å; F254-V258 HydrophobicContact CZ-CG2 3.98Å; F254-V258 WeakPolarHBondContact O-CG2 3.31Å; F254-V258 PolarHBondContact O-N 3.46Å; F254-L273 HydrophobicContact CE2-CD2 4.36Å; F254-L273 HydrophobicContact CZ-CD2 3.99Å; F254-V276 HydrophobicContact CE2-CG2 3.85Å; F254-V276 HydrophobicContact CZ-CG1 4.43Å; F254-V276 HydrophobicContact CZ-CG2 3.93Å; F254-C285 VanDerWaalsContact CZ-SG 3.6Å
255	W	97.7	Very high	93.5	Very high	19 Å²	19	41.6 Å²	41.6	7%	0.072	23%	0.232	C	C	.	.	H	α-helix	trans	-70.7	-29.4	-172.5	75.6	-106.8	0	0	0	112.3	K251 D252 V258 T259 L288 W404 D407 A408 T411	K251-W255 PolarHBondContact O-N 3.45Å; K251-W255 VanDerWaalsContact O-N 3.14Å; D252-W255 PolarHBondContact OD1-NE1 3.25Å; W255-V258 PolarHBondContact O-N 3.32Å; W255-T259 WeakPolarHBondContact O-CB 3.48Å; W255-T259 PolarHBondContact O-N 2.77Å; W255-T259 PolarHBondContact O-OG1 3.25Å; W255-L288 HydrophobicContact CB-CD1 4.17Å; W255-W404 HydrophobicContact CB-CE3 4.45Å; W255-D407 HydrophobicContact CZ2-CB 4.1Å; W255-A408 HydrophobicContact CB-CB 3.97Å; W255-A408 HydrophobicContact CD2-CB 3.51Å; W255-A408 HydrophobicContact CE3-CB 3.75Å; W255-A408 HydrophobicContact CG-CB 3.6Å; W255-A408 HydrophobicContact CZ3-CB 4.47Å; W255-T411 HydrophobicContact CH2-CG2 3.42Å; W255-T411 VanDerWaalsContact CH2-CG2 3.42Å; W255-T411 HydrophobicContact CZ3-CG2 3.46Å; W255-T411 VanDerWaalsContact CZ3-CG2 3.46Å
256	R	98.1	Very high	94	Very high	106 Å²	106	43.5 Å²	43.5	40%	0.4	24%	0.244	S	C	.	.	H	α-helix	trans	-65.7	-42.1	173.8	-71.4	174.2	-167.8	132.4	7.1	111.5	D252 D253 F254 T259 L260	D252-R256 VanDerWaalsContact O-CD 3.28Å; D252-R256 WeakPolarHBondContact O-CD 3.5Å; D252-R256 WeakPolarHBondContact O-CG 3.21Å; D252-R256 IonicContact OD1-NH2 2.93Å; D253-R256 PolarHBondContact O-N 3.46Å; D253-R256 IonicContact OD1-NH1 2.79Å; F254-R256 VanDerWaalsContact C-N 3.31Å; F254-R256 PolarHBondContact O-N 2.71Å; R256-T259 PolarHBondContact O-N 2.92Å; R256-L260 WeakPolarHBondContact O-CB 3.2Å; R256-L260 PolarHBondContact O-N 3.39Å
257	M	97.9	Very high	94.9	Very high	11 Å²	11	45.8 Å²	45.8	5%	0.054	24%	0.243	C	C	.	.	H	α-helix	trans	-69	-35.2	175.9	-69.6	-57.5	103.3	0	0	112.9	L220 T222 L245 D253 F254 L260 S261	L220-M257 HydrophobicContact CD2-CG 4.01Å; T222-M257 WeakPolarHBondContact OG1-CE 3.26Å; L245-M257 HydrophobicContact CD1-CB 3.66Å; L245-M257 HydrophobicContact CD2-CB 3.59Å; L245-M257 HydrophobicContact CD2-CG 4.02Å; L245-M257 HydrophobicContact CG-CB 4.29Å; D253-M257 WeakPolarHBondContact O-CG 3.47Å; D253-M257 PolarHBondContact O-N 3.01Å; F254-M257 PolarHBondContact O-N 3.41Å; M257-L260 HydrophobicContact CE-CD2 4.27Å; M257-L260 HydrophobicContact SD-CD2 4.28Å; M257-S261 WeakPolarHBondContact O-CB 3.42Å; M257-S261 PolarHBondContact O-N 3.31Å; M257-S261 VanDerWaalsContact O-N 3.07Å; M257-S261 PolarHBondContact O-OG 3.36Å
258	V	98.5	Very high	96.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-60.9	-50.4	170.2	172.6	0	0	0	0	110	L245 F254 W255 L260 S261 T262 L273 L288	L245-V258 HydrophobicContact CD1-CG2 3.85Å; F254-V258 HydrophobicContact CD2-CG2 4.43Å; F254-V258 HydrophobicContact CE1-CG2 4.34Å; F254-V258 HydrophobicContact CE2-CG2 4.02Å; F254-V258 HydrophobicContact CZ-CG2 3.98Å; F254-V258 WeakPolarHBondContact O-CG2 3.31Å; F254-V258 PolarHBondContact O-N 3.46Å; W255-V258 PolarHBondContact O-N 3.32Å; V258-L260 PolarHBondContact O-N 2.83Å; V258-S261 WeakPolarHBondContact O-CB 3.39Å; V258-S261 PolarHBondContact O-N 3.33Å; V258-S261 VanDerWaalsContact O-N 3.15Å; V258-T262 HydrophobicContact CG1-CG2 4.34Å; V258-T262 WeakPolarHBondContact O-CG2 3.17Å; V258-T262 PolarHBondContact O-N 2.78Å; V258-T262 PolarHBondContact O-OG1 2.88Å; V258-L273 HydrophobicContact CG2-CD1 4Å; V258-L273 HydrophobicContact CG2-CD2 3.96Å; V258-L288 HydrophobicContact CB-CD1 4.22Å; V258-L288 HydrophobicContact CG1-CB 4.06Å; V258-L288 HydrophobicContact CG1-CD1 3.89Å
259	T	98.4	Very high	97.1	Very high	18 Å²	18	48.1 Å²	48.1	11%	0.11	23%	0.226	C	C	.	.	H	α-helix	trans	-58.3	-48.6	179.9	-57.1	0	0	0	0	111.8	W255 R256 S261 T262 D263	W255-T259 WeakPolarHBondContact O-CB 3.48Å; W255-T259 PolarHBondContact O-N 2.77Å; W255-T259 PolarHBondContact O-OG1 3.25Å; R256-T259 PolarHBondContact O-N 2.92Å; T259-S261 VanDerWaalsContact C-N 3.26Å; T259-S261 PolarHBondContact O-N 3.06Å; T259-T262 PolarHBondContact O-N 3.2Å; T259-T262 PolarHBondContact O-OG1 3.37Å; T259-D263 WeakPolarHBondContact O-CB 3.43Å; T259-D263 VanDerWaalsContact O-CG 3.3Å; T259-D263 PolarHBondContact O-N 3.33Å
260	L	98.6	Very high	97.5	Very high	27 Å²	27	47 Å²	47	14%	0.141	22%	0.221	C	C	.	.	H	α-helix	trans	-55.9	-44.9	176.7	178.5	69.4	0	0	0	111.1	T222 R225 R256 M257 V258 H264	T222-L260 HydrophobicContact CG2-CD1 4.29Å; T222-L260 HydrophobicContact CG2-CD2 3.79Å; R225-L260 HydrophobicContact CB-CD2 4.03Å; R225-L260 HydrophobicContact CG-CD2 4.03Å; R256-L260 WeakPolarHBondContact O-CB 3.2Å; R256-L260 PolarHBondContact O-N 3.39Å; M257-L260 HydrophobicContact CE-CD2 4.27Å; M257-L260 HydrophobicContact SD-CD2 4.28Å; V258-L260 PolarHBondContact O-N 2.83Å; L260-H264 PolarHBondContact O-N 2.95Å; L260-H264 PolarHBondContact O-ND1 3.03Å
261	S	98.6	Very high	97.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-66.1	-48.9	-179.5	-56.4	0	0	0	0	111.7	R225 M257 V258 T259 D263 H264 L265	R225-S261 WeakPolarHBondContact CD-OG 3.31Å; R225-S261 PolarHBondContact NH1-OG 3.31Å; M257-S261 WeakPolarHBondContact O-CB 3.42Å; M257-S261 PolarHBondContact O-N 3.31Å; M257-S261 VanDerWaalsContact O-N 3.07Å; M257-S261 PolarHBondContact O-OG 3.36Å; V258-S261 WeakPolarHBondContact O-CB 3.39Å; V258-S261 PolarHBondContact O-N 3.33Å; V258-S261 VanDerWaalsContact O-N 3.15Å; T259-S261 VanDerWaalsContact C-N 3.26Å; T259-S261 PolarHBondContact O-N 3.06Å; S261-D263 PolarHBondContact O-N 3.37Å; S261-H264 PolarHBondContact O-N 3.42Å; S261-L265 WeakPolarHBondContact O-CB 3.5Å; S261-L265 VanDerWaalsContact O-CG 3.22Å; S261-L265 WeakPolarHBondContact O-CG 3.1Å; S261-L265 PolarHBondContact O-N 3.02Å
262	T	98.5	Very high	97.9	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.018	18%	0.18	C	C	.	.	H	α-helix	trans	-68.9	-23	-176.9	56.8	0	0	0	0	113.6	I242 V258 T259 R271 L288	I242-T262 HydrophobicContact CD1-CG2 4.05Å; V258-T262 HydrophobicContact CG1-CG2 4.34Å; V258-T262 WeakPolarHBondContact O-CG2 3.17Å; V258-T262 PolarHBondContact O-N 2.78Å; V258-T262 PolarHBondContact O-OG1 2.88Å; T259-T262 PolarHBondContact O-N 3.2Å; T259-T262 PolarHBondContact O-OG1 3.37Å; T262-R271 PolarHBondContact O-NH2 3.32Å; T262-L288 WeakPolarHBondContact CB-O 3.26Å; T262-L288 WeakPolarHBondContact CG2-O 3.49Å; T262-L288 PolarHBondContact OG1-O 3.36Å
263	D	98.2	Very high	98	Very high	91 Å²	91	35.7 Å²	35.7	49%	0.487	17%	0.166	S	C	.	.	H	α-helix	trans	-72.7	-29.2	173.6	-77.3	-24.1	0	0	0	114.1	K42 T259 S261	K42-D263 WeakPolarHBondContact CE-OD1 3.33Å; K42-D263 IonicContact NZ-OD1 3.81Å; K42-D263 PolarHBondContact NZ-OD1 3.19Å; K42-D263 IonicContact NZ-OD2 2.8Å; K42-D263 PolarHBondContact NZ-OD2 3.29Å; T259-D263 WeakPolarHBondContact O-CB 3.43Å; T259-D263 VanDerWaalsContact O-CG 3.3Å; T259-D263 PolarHBondContact O-N 3.33Å; S261-D263 PolarHBondContact O-N 3.37Å
264	H	98.3	Very high	98.1	Very high	71 Å²	71	34.5 Å²	34.5	33%	0.329	16%	0.159	S	C	.	.	H	α-helix	trans	-103.1	-18.3	-177.2	-65.2	77.2	0	0	0	112.6	L229 L260 S261	L229-H264 HydrophobicContact CB-CB 4.22Å; L229-H264 HydrophobicContact CD1-CB 3.95Å; L229-H264 HydrophobicContact CD2-CB 4.17Å; L229-H264 HydrophobicContact CG-CB 4.33Å; L260-H264 PolarHBondContact O-N 2.95Å; L260-H264 PolarHBondContact O-ND1 3.03Å; S261-H264 PolarHBondContact O-N 3.42Å
265	L	98.4	Very high	97.9	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.037	17%	0.171	C	C	.	.	S	Bend	trans	-72.1	136.9	179.2	-78.4	176.7	0	0	0	112.3	I216 L229 T233 F240 I242 S261 R267 R271	I216-L265 HydrophobicContact CD1-CD2 4.19Å; I216-L265 HydrophobicContact CG1-CD2 4.02Å; L229-L265 HydrophobicContact CD2-CD2 3.7Å; L229-L265 HydrophobicContact CD2-CG 3.77Å; T233-L265 HydrophobicContact CG2-CD2 4.46Å; F240-L265 HydrophobicContact CB-CD1 4.09Å; F240-L265 HydrophobicContact CB-CD2 3.46Å; F240-L265 VanDerWaalsContact CB-CD2 3.46Å; F240-L265 HydrophobicContact CB-CG 4.39Å; F240-L265 HydrophobicContact CD1-CD2 3.88Å; F240-L265 HydrophobicContact CD2-CD2 3.99Å; F240-L265 HydrophobicContact CG-CD2 3.51Å; I242-L265 HydrophobicContact CD1-CD1 4.21Å; I242-L265 HydrophobicContact CG1-CD1 3.97Å; S261-L265 WeakPolarHBondContact O-CB 3.5Å; S261-L265 VanDerWaalsContact O-CG 3.22Å; S261-L265 WeakPolarHBondContact O-CG 3.1Å; S261-L265 PolarHBondContact O-N 3.02Å; L265-R267 PolarHBondContact O-N 3.4Å; L265-R271 HydrophobicContact CB-CG 4.2Å; L265-R271 HydrophobicContact CD1-CB 4.44Å; L265-R271 HydrophobicContact CD1-CG 4Å; L265-R271 PolarHBondContact O-NH2 3.24Å; L265-R271 VanDerWaalsContact O-NH2 3.07Å
266	P	97.8	Very high	97.9	Very high	42 Å²	42	35 Å²	35	27%	0.273	17%	0.169	S	C	.	.			trans	-53.3	131.6	-176.8	-27.3	34.6	0	0	0	112.7	T233 F240 E268 K269	T233-P266 HydrophobicContact CG2-CG 4.15Å; F240-P266 HydrophobicContact CD2-CG 4.46Å; F240-P266 HydrophobicContact CE2-CG 3.88Å; P266-E268 VanDerWaalsContact C-N 3.3Å; P266-E268 PolarHBondContact O-N 3.35Å; P266-K269 HydrophobicContact CB-CB 4.36Å; P266-K269 HydrophobicContact CB-CD 4.27Å; P266-K269 HydrophobicContact CB-CG 4.41Å; P266-K269 HydrophobicContact CG-CD 4.43Å; P266-K269 PolarHBondContact O-N 3.17Å
267	R	97.5	Very high	97.8	Very high	110 Å²	110	30 Å²	30	42%	0.415	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-41	-180	-177.7	177.3	171.4	-90.1	7.8	112	I34 E37 R44 L265 K269	I34-R267 HydrophobicContact CD1-CG 4.11Å; E37-R267 VanDerWaalsContact CD-NH2 3.26Å; E37-R267 IonicContact OE1-CZ 2.68Å; E37-R267 IonicContact OE1-NE 3.92Å; E37-R267 PolarHBondContact OE1-NE 2.86Å; E37-R267 IonicContact OE1-NH2 3.61Å; E37-R267 PolarHBondContact OE1-NH2 3.46Å; E37-R267 IonicContact OE2-CZ 3.68Å; E37-R267 IonicContact OE2-NE 2.71Å; E37-R267 IonicContact OE2-NH2 3.67Å; E37-R267 PolarHBondContact OE2-NH2 3.04Å; R44-R267 PolarHBondContact NH1-O 2.97Å; L265-R267 PolarHBondContact O-N 3.4Å; R267-K269 PolarHBondContact O-N 2.92Å; R267-K269 VanDerWaalsContact O-N 3.11Å
268	E	96.6	Very high	97.7	Very high	113 Å²	113	35.1 Å²	35.1	53%	0.528	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	6.1	-175.5	-54.4	-48.2	128.3	0	0	114.5	P266	P266-E268 VanDerWaalsContact C-N 3.3Å; P266-E268 PolarHBondContact O-N 3.35Å
269	K	98.1	Very high	97.7	Very high	39 Å²	39	35.9 Å²	35.9	17%	0.17	18%	0.176	C	C	.	.	S	Bend	trans	-120.8	148.1	-177.8	-69.5	179	176.1	-174	0	111.5	R44 D236 V237 F240 P266 R267	R44-K269 PolarHBondContact NH2-O 2.95Å; D236-K269 IonicContact OD1-NZ 3.47Å; D236-K269 PolarHBondContact OD1-NZ 3.37Å; V237-K269 VanDerWaalsContact O-CD 3.3Å; V237-K269 WeakPolarHBondContact O-CD 3.2Å; V237-K269 WeakPolarHBondContact O-CE 3.47Å; V237-K269 PolarHBondContact O-NZ 3.3Å; F240-K269 HydrophobicContact CD2-CB 4.26Å; F240-K269 HydrophobicContact CD2-CD 4.13Å; F240-K269 HydrophobicContact CE2-CD 3.59Å; P266-K269 HydrophobicContact CB-CB 4.36Å; P266-K269 HydrophobicContact CB-CD 4.27Å; P266-K269 HydrophobicContact CB-CG 4.41Å; P266-K269 HydrophobicContact CG-CD 4.43Å; P266-K269 PolarHBondContact O-N 3.17Å; R267-K269 PolarHBondContact O-N 2.92Å; R267-K269 VanDerWaalsContact O-N 3.11Å
270	P	98.4	Very high	97.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.006	18%	0.176	C	C	.	.			trans	-69	145.1	177.9	27.5	-33.4	0	0	0	111.1	L30 L32 L48 F213 P238 F240 M292	L30-P270 HydrophobicContact CD1-CG 4.15Å; L30-P270 HydrophobicContact CD2-CG 4.33Å; L32-P270 HydrophobicContact CD1-CB 3.97Å; L32-P270 HydrophobicContact CD1-CG 4.44Å; L48-P270 HydrophobicContact CD1-CB 4.26Å; L48-P270 HydrophobicContact CD2-CB 3.97Å; L48-P270 HydrophobicContact CD2-CG 4.34Å; F213-P270 HydrophobicContact CE1-CG 4.27Å; F213-P270 HydrophobicContact CE2-CB 4.39Å; F213-P270 HydrophobicContact CE2-CG 3.9Å; F213-P270 HydrophobicContact CZ-CB 4.26Å; F213-P270 HydrophobicContact CZ-CG 3.42Å; F213-P270 VanDerWaalsContact CZ-CG 3.42Å; P238-P270 VanDerWaalsContact O-CD 3.28Å; P238-P270 WeakPolarHBondContact O-CD 3.24Å; F240-P270 PolarHBondContact N-O 3.49Å; F240-P270 VanDerWaalsContact N-O 3.13Å; P270-M292 HydrophobicContact CB-SD 4.01Å
271	R	98.8	Very high	97.7	Very high	22 Å²	22	35 Å²	35	8%	0.083	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	108.1	179.7	-60.2	151.2	-179.3	-169.3	-9.7	109.4	F240 T262 L265 G289 D291 M292	F240-R271 WeakPolarHBondContact O-CA 3.19Å; T262-R271 PolarHBondContact O-NH2 3.32Å; L265-R271 HydrophobicContact CB-CG 4.2Å; L265-R271 HydrophobicContact CD1-CB 4.44Å; L265-R271 HydrophobicContact CD1-CG 4Å; L265-R271 PolarHBondContact O-NH2 3.24Å; L265-R271 VanDerWaalsContact O-NH2 3.07Å; R271-G289 WeakPolarHBondContact CD-O 3.25Å; R271-G289 PolarHBondContact NH1-O 2.77Å; R271-D291 WeakPolarHBondContact CB-OD2 3.16Å; R271-D291 PolarHBondContact N-OD2 3.45Å; R271-D291 PolarHBondContact O-N 3.5Å; R271-M292 PolarHBondContact O-N 2.92Å; R271-M292 VanDerWaalsContact O-N 3.12Å
272	Y	98.8	Very high	97.7	Very high	2 Å²	2	35 Å²	35	1%	0.008	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	112.1	-176.4	170.4	-153	0	0	0	111.4	M61 L86 L118 M171 F213 F240 A241 I242 M274 M292 D294	M61-Y272 HydrophobicContact CE-CD2 3.8Å; M61-Y272 HydrophobicContact CE-CE1 4.29Å; M61-Y272 HydrophobicContact CE-CE2 3.46Å; M61-Y272 VanDerWaalsContact CE-CE2 3.46Å; M61-Y272 HydrophobicContact CE-CG 4.4Å; L86-Y272 WeakPolarHBondContact CD1-OH 3.49Å; L118-Y272 HydrophobicContact CD1-CD1 3.94Å; L118-Y272 HydrophobicContact CD1-CE1 3.67Å; L118-Y272 HydrophobicContact CD2-CE1 4.06Å; M171-Y272 HydrophobicContact CE-CD1 3.95Å; M171-Y272 HydrophobicContact CE-CE1 4Å; M171-Y272 HydrophobicContact SD-CD1 3.97Å; M171-Y272 HydrophobicContact SD-CE1 3.86Å; F213-Y272 HydrophobicContact CD2-CD1 4.46Å; F240-Y272 PolarHBondContact O-N 2.87Å; A241-Y272 CarbonylContact C-O 3.35Å; A241-Y272 WeakPolarHBondContact CA-O 3.38Å; A241-Y272 HydrophobicContact CB-CD1 3.81Å; A241-Y272 HydrophobicContact CB-CG 4.2Å; A241-Y272 WeakPolarHBondContact CB-O 3.26Å; I242-Y272 PolarHBondContact N-O 2.95Å; Y272-M274 HydrophobicContact CD1-CG 4.16Å; Y272-M274 HydrophobicContact CD2-CG 4.41Å; Y272-M274 HydrophobicContact CE1-CG 3.77Å; Y272-M274 HydrophobicContact CE2-CB 4.47Å; Y272-M274 HydrophobicContact CE2-CG 4.02Å; Y272-M274 HydrophobicContact CG-CG 4.45Å; Y272-M292 HydrophobicContact CD2-CB 3.94Å; Y272-M292 WeakPolarHBondContact CD2-O 3.5Å; Y272-M292 HydrophobicContact CG-CB 4.18Å; Y272-D294 HydrophobicContact CE2-CB 4.22Å; Y272-D294 WeakPolarHBondContact CE2-OD1 3.37Å; Y272-D294 VanDerWaalsContact CZ-OD1 3.25Å; Y272-D294 PolarHBondContact OH-OD1 3.49Å
273	L	98.5	Very high	97.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	111.8	174.4	-175.2	61.2	0	0	0	110.3	I242 F254 V258 V276 C285 C290 M292 F293	I242-L273 HydrophobicContact CB-CD1 3.81Å; I242-L273 HydrophobicContact CD1-CD1 4.49Å; I242-L273 HydrophobicContact CG2-CD1 3.86Å; F254-L273 HydrophobicContact CE2-CD2 4.36Å; F254-L273 HydrophobicContact CZ-CD2 3.99Å; V258-L273 HydrophobicContact CG2-CD1 4Å; V258-L273 HydrophobicContact CG2-CD2 3.96Å; L273-V276 HydrophobicContact CD1-CG2 4.43Å; L273-V276 HydrophobicContact CD2-CB 4.14Å; L273-V276 HydrophobicContact CD2-CG1 4.37Å; L273-V276 HydrophobicContact CD2-CG2 3.71Å; L273-V276 HydrophobicContact CG-CB 4.23Å; L273-V276 HydrophobicContact CG-CG2 3.69Å; L273-C285 HydrophobicContact CD2-CB 3.76Å; L273-C285 WeakPolarHBondContact CD2-SG 3.35Å; L273-C290 HydrophobicContact CB-CB 4.33Å; L273-M292 PolarHBondContact N-O 3.37Å; L273-F293 HydrophobicContact CB-CD1 3.94Å; L273-F293 HydrophobicContact CB-CE1 3.91Å; L273-F293 HydrophobicContact CD2-CD1 4.34Å; L273-F293 HydrophobicContact CD2-CE1 3.92Å; L273-F293 HydrophobicContact CG-CE1 4.46Å
274	M	96.6	Very high	97.7	Very high	41 Å²	41	30.5 Å²	30.5	20%	0.202	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	137.9	-171	-60.6	175.1	72	0	0	111.9	M171 I215 A241 I242 Y272 V276 D294	M171-M274 HydrophobicContact CE-CE 4.34Å; M171-M274 HydrophobicContact CE-SD 4.06Å; I215-M274 HydrophobicContact CD1-CE 4.35Å; I215-M274 HydrophobicContact CD1-SD 4.29Å; I215-M274 HydrophobicContact CG1-SD 4.21Å; I215-M274 HydrophobicContact CG2-SD 3.97Å; A241-M274 HydrophobicContact CB-CG 4Å; A241-M274 HydrophobicContact CB-SD 3.75Å; I242-M274 PolarHBondContact O-N 2.86Å; Y272-M274 HydrophobicContact CD1-CG 4.16Å; Y272-M274 HydrophobicContact CD2-CG 4.41Å; Y272-M274 HydrophobicContact CE1-CG 3.77Å; Y272-M274 HydrophobicContact CE2-CB 4.47Å; Y272-M274 HydrophobicContact CE2-CG 4.02Å; Y272-M274 HydrophobicContact CG-CG 4.45Å; M274-V276 VanDerWaalsContact C-N 3.31Å; M274-V276 PolarHBondContact O-N 3.27Å; M274-D294 WeakPolarHBondContact CA-OD1 3.28Å
275	G	94	Very high	97.8	Very high	26 Å²	26	27.1 Å²	27.1	27%	0.268	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	5	168.7	0	0	0	0	0	116.7	D294 C295	G275-D294 CarbonylContact C-O 3.57Å; G275-D294 VanDerWaalsContact CA-O 3.24Å; G275-D294 WeakPolarHBondContact CA-O 3.42Å; G275-D294 PolarHBondContact N-O 3.11Å; G275-D294 PolarHBondContact N-OD1 3.04Å; G275-C295 PolarHBondContact O-SG 3.17Å
276	V	96.8	Very high	97.8	Very high	5 Å²	5	26.8 Å²	26.8	3%	0.03	13%	0.131	C	C	.	.			trans	-95.2	127.5	-177.5	177.4	0	0	0	0	111.6	F254 L273 M274 D281 L282 F293 D294	F254-V276 HydrophobicContact CE2-CG2 3.85Å; F254-V276 HydrophobicContact CZ-CG1 4.43Å; F254-V276 HydrophobicContact CZ-CG2 3.93Å; L273-V276 HydrophobicContact CD1-CG2 4.43Å; L273-V276 HydrophobicContact CD2-CB 4.14Å; L273-V276 HydrophobicContact CD2-CG1 4.37Å; L273-V276 HydrophobicContact CD2-CG2 3.71Å; L273-V276 HydrophobicContact CG-CB 4.23Å; L273-V276 HydrophobicContact CG-CG2 3.69Å; M274-V276 VanDerWaalsContact C-N 3.31Å; M274-V276 PolarHBondContact O-N 3.27Å; V276-D281 HydrophobicContact CG1-CB 3.47Å; V276-D281 VanDerWaalsContact CG1-CB 3.47Å; V276-L282 HydrophobicContact CG1-CD2 4.27Å; V276-F293 HydrophobicContact CB-CD1 4.35Å; V276-F293 HydrophobicContact CG1-CD1 4.48Å; V276-D294 PolarHBondContact N-O 3.44Å
277	G	95.6	Very high	97.8	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.01	12%	0.118	C	C	.	.			trans	-145.7	-4.1	-174.7	0	0	0	0	0	117.5	C295 F297 Q367	G277-C295 VanDerWaalsContact CA-CB 3.48Å; G277-F297 WeakPolarHBondContact O-CD1 3.43Å; G277-Q367 PolarHBondContact O-NE2 3.36Å
278	Y	97	Very high	97.9	Very high	119 Å²	119	19.6 Å²	19.6	47%	0.467	10%	0.098	S	C	.	.			trans	-73.3	138.8	174.7	-68.1	-88.5	0	0	0	110.3	V280 D281 L282 F297	Y278-V280 VanDerWaalsContact C-N 3.31Å; Y278-V280 PolarHBondContact O-N 3.16Å; Y278-D281 WeakPolarHBondContact O-CB 3.34Å; Y278-D281 PolarHBondContact O-N 3.03Å; Y278-D281 VanDerWaalsContact O-N 3.09Å; Y278-L282 WeakPolarHBondContact O-CG 3.43Å; Y278-L282 PolarHBondContact O-N 2.82Å; Y278-F297 HydrophobicContact CD1-CD2 4.44Å; Y278-F297 HydrophobicContact CD1-CE1 4.31Å; Y278-F297 AromaticContact CD1-CE2 3.86Å; Y278-F297 HydrophobicContact CD1-CE2 3.86Å; Y278-F297 AromaticContact CD1-CZ 3.79Å; Y278-F297 HydrophobicContact CD1-CZ 3.79Å; Y278-F297 HydrophobicContact CE1-CD2 4.02Å; Y278-F297 AromaticContact CE1-CE2 3.38Å; Y278-F297 HydrophobicContact CE1-CE2 3.38Å; Y278-F297 AromaticContact CE1-CZ 3.75Å; Y278-F297 HydrophobicContact CE1-CZ 3.75Å; Y278-F297 AromaticContact CZ-CE2 3.84Å
279	A	98.1	Very high	98	Very high	15 Å²	15	14.2 Å²	14.2	12%	0.124	7%	0.073	C	C	.	.	H	α-helix	trans	-57.2	-41.7	-173.1	0	0	0	0	0	113.2	L282 V283 Y366 L370 F390 M394	A279-L282 PolarHBondContact O-N 2.99Å; A279-V283 WeakPolarHBondContact O-CG2 3.48Å; A279-V283 PolarHBondContact O-N 3.09Å; A279-V283 VanDerWaalsContact O-N 3.11Å; A279-Y366 HydrophobicContact CB-CE1 4.14Å; A279-L370 HydrophobicContact CB-CD2 3.98Å; A279-F390 HydrophobicContact CB-CE2 4.17Å; A279-F390 HydrophobicContact CB-CZ 3.79Å; A279-M394 HydrophobicContact CB-CE 4.06Å
280	V	98.2	Very high	98	Very high	17 Å²	17	12.4 Å²	12.4	10%	0.103	7%	0.065	C	C	.	.	H	α-helix	trans	-64.2	-46.3	177.1	-177.5	0	0	0	0	110.7	Y278 L282 V283 V284 F390 M391 M394 F395 W404 A405	Y278-V280 VanDerWaalsContact C-N 3.31Å; Y278-V280 PolarHBondContact O-N 3.16Å; V280-L282 VanDerWaalsContact C-N 3.32Å; V280-L282 PolarHBondContact O-N 3.15Å; V280-V283 PolarHBondContact O-N 3.34Å; V280-V284 HydrophobicContact CG1-CG2 4.29Å; V280-V284 WeakPolarHBondContact O-CG2 3.34Å; V280-V284 PolarHBondContact O-N 3.32Å; V280-F390 HydrophobicContact CG2-CE1 4.12Å; V280-F390 HydrophobicContact CG2-CZ 4.38Å; V280-M391 HydrophobicContact CG1-SD 4.34Å; V280-M394 HydrophobicContact CG2-CG 4.1Å; V280-F395 HydrophobicContact CG2-CE2 3.76Å; V280-F395 HydrophobicContact CG2-CZ 3.94Å; V280-W404 HydrophobicContact CB-CZ2 4.48Å; V280-W404 HydrophobicContact CG1-CH2 3.93Å; V280-W404 HydrophobicContact CG1-CZ2 3.8Å; V280-A405 HydrophobicContact CG1-CB 4.05Å
281	D	98.3	Very high	98.1	Very high	9 Å²	9	12.4 Å²	12.4	5%	0.048	7%	0.065	C	C	.	.	H	α-helix	trans	-57.8	-44.9	177	-57.6	-6.3	0	0	0	111.7	K251 V276 Y278 V283 V284 C285 W404	K251-D281 IonicContact NZ-OD1 3.52Å; K251-D281 PolarHBondContact NZ-OD1 2.97Å; K251-D281 IonicContact NZ-OD2 2.61Å; K251-D281 PolarHBondContact NZ-OD2 3.15Å; V276-D281 HydrophobicContact CG1-CB 3.47Å; V276-D281 VanDerWaalsContact CG1-CB 3.47Å; Y278-D281 WeakPolarHBondContact O-CB 3.34Å; Y278-D281 PolarHBondContact O-N 3.03Å; Y278-D281 VanDerWaalsContact O-N 3.09Å; D281-V283 PolarHBondContact O-N 2.97Å; D281-V284 PolarHBondContact O-N 2.91Å; D281-C285 VanDerWaalsContact O-CB 3.23Å; D281-C285 WeakPolarHBondContact O-CB 3.33Å; D281-C285 PolarHBondContact O-N 2.93Å; D281-C285 PolarHBondContact O-SG 3.09Å; D281-W404 VanDerWaalsContact OD1-CH2 3.27Å; D281-W404 WeakPolarHBondContact OD1-CH2 3.27Å; D281-W404 WeakPolarHBondContact OD1-CZ2 3.2Å
282	L	98.8	Very high	98.1	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-60.1	-47.6	178.7	-65.5	172.7	0	0	0	111	F60 V276 Y278 A279 V280 C285 V286 F293 L370 M371	F60-L282 HydrophobicContact CD2-CD1 4.17Å; F60-L282 HydrophobicContact CD2-CD2 4.28Å; V276-L282 HydrophobicContact CG1-CD2 4.27Å; Y278-L282 WeakPolarHBondContact O-CG 3.43Å; Y278-L282 PolarHBondContact O-N 2.82Å; A279-L282 PolarHBondContact O-N 2.99Å; V280-L282 VanDerWaalsContact C-N 3.32Å; V280-L282 PolarHBondContact O-N 3.15Å; L282-C285 PolarHBondContact O-N 3.4Å; L282-V286 WeakPolarHBondContact O-CB 3.37Å; L282-V286 VanDerWaalsContact O-CG2 3.27Å; L282-V286 WeakPolarHBondContact O-CG2 3.45Å; L282-V286 PolarHBondContact O-N 3.38Å; L282-F293 HydrophobicContact CD2-CB 3.66Å; L282-F293 HydrophobicContact CD2-CD1 3.52Å; L282-F293 HydrophobicContact CD2-CD2 3.99Å; L282-F293 HydrophobicContact CD2-CE1 4.12Å; L282-F293 HydrophobicContact CD2-CG 3.43Å; L282-F293 VanDerWaalsContact CD2-CG 3.43Å; L282-L370 HydrophobicContact CD1-CD2 4.32Å; L282-M371 HydrophobicContact CB-CE 3.79Å; L282-M371 HydrophobicContact CD1-CE 3.73Å; L282-M371 HydrophobicContact CD2-CE 3.62Å; L282-M371 HydrophobicContact CG-CE 3.89Å
283	V	98.9	Very high	98.1	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.006	6%	0.061	C	C	.	.	H	α-helix	trans	-63.2	-46.4	179.7	173.1	0	0	0	0	111.5	A279 V280 D281 A287 L370 M374 F386 V387 F390	A279-V283 WeakPolarHBondContact O-CG2 3.48Å; A279-V283 PolarHBondContact O-N 3.09Å; A279-V283 VanDerWaalsContact O-N 3.11Å; V280-V283 PolarHBondContact O-N 3.34Å; D281-V283 PolarHBondContact O-N 2.97Å; V283-A287 PolarHBondContact O-N 2.97Å; V283-A287 VanDerWaalsContact O-N 3.14Å; V283-L370 HydrophobicContact CG2-CD1 4.13Å; V283-M374 HydrophobicContact CB-SD 4.28Å; V283-M374 HydrophobicContact CG2-SD 3.8Å; V283-F386 HydrophobicContact CG2-CE1 4.4Å; V283-V387 HydrophobicContact CG1-CB 4.34Å; V283-V387 HydrophobicContact CG1-CG1 4.07Å; V283-V387 HydrophobicContact CG1-CG2 3.78Å; V283-F390 HydrophobicContact CB-CD1 4.22Å; V283-F390 HydrophobicContact CB-CE1 4.12Å; V283-F390 HydrophobicContact CG1-CD1 4.09Å; V283-F390 HydrophobicContact CG1-CE1 4.46Å; V283-F390 HydrophobicContact CG2-CD1 3.88Å; V283-F390 HydrophobicContact CG2-CD2 4.11Å; V283-F390 HydrophobicContact CG2-CE1 3.78Å; V283-F390 HydrophobicContact CG2-CE2 4.01Å; V283-F390 HydrophobicContact CG2-CG 4.05Å; V283-F390 HydrophobicContact CG2-CZ 3.84Å
284	V	98.9	Very high	98	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-64.4	-48	178.4	174.7	0	0	0	0	110.6	V280 D281 V286 A287 L288 W404 A405 A408 L409	V280-V284 HydrophobicContact CG1-CG2 4.29Å; V280-V284 WeakPolarHBondContact O-CG2 3.34Å; V280-V284 PolarHBondContact O-N 3.32Å; D281-V284 PolarHBondContact O-N 2.91Å; V284-V286 VanDerWaalsContact C-N 3.31Å; V284-V286 PolarHBondContact O-N 2.93Å; V284-A287 CarbonylContact O-C 3.5Å; V284-A287 WeakPolarHBondContact O-CA 3.44Å; V284-A287 VanDerWaalsContact O-CB 3.23Å; V284-A287 WeakPolarHBondContact O-CB 3.37Å; V284-A287 PolarHBondContact O-N 3.28Å; V284-L288 HydrophobicContact CG1-CD1 4.04Å; V284-L288 HydrophobicContact CG1-CG 4.3Å; V284-L288 WeakPolarHBondContact O-CG 3.22Å; V284-L288 PolarHBondContact O-N 3.22Å; V284-W404 HydrophobicContact CB-CH2 4.39Å; V284-W404 HydrophobicContact CB-CZ3 4.09Å; V284-W404 HydrophobicContact CG1-CZ3 3.95Å; V284-W404 HydrophobicContact CG2-CH2 4.13Å; V284-W404 HydrophobicContact CG2-CZ3 4.02Å; V284-A405 HydrophobicContact CG2-CB 4.12Å; V284-A408 HydrophobicContact CG1-CB 3.63Å; V284-L409 HydrophobicContact CG2-CD1 4.31Å; V284-L409 HydrophobicContact CG2-CD2 4.35Å; V284-L409 HydrophobicContact CG2-CG 4.14Å
285	C	98.8	Very high	97.9	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-67.9	-29.5	-177	-64.4	0	0	0	0	113	F254 L273 D281 L282 L288 G289 C290 F293	F254-C285 VanDerWaalsContact CZ-SG 3.6Å; L273-C285 HydrophobicContact CD2-CB 3.76Å; L273-C285 WeakPolarHBondContact CD2-SG 3.35Å; D281-C285 VanDerWaalsContact O-CB 3.23Å; D281-C285 WeakPolarHBondContact O-CB 3.33Å; D281-C285 PolarHBondContact O-N 2.93Å; D281-C285 PolarHBondContact O-SG 3.09Å; L282-C285 PolarHBondContact O-N 3.4Å; C285-L288 CarbonylContact O-C 3.58Å; C285-L288 PolarHBondContact O-N 2.86Å; C285-G289 PolarHBondContact O-N 2.87Å; C285-C290 HydrophobicContact CB-CB 4.31Å; C285-C290 WeakPolarHBondContact O-CB 3.23Å; C285-C290 PolarHBondContact O-N 3.1Å; C285-F293 HydrophobicContact CB-CE1 3.59Å; C285-F293 HydrophobicContact CB-CZ 3.86Å
286	V	98.9	Very high	97.9	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-64.5	-42.7	167.6	170	0	0	0	0	110.6	A43 P58 L282 V284 L288 G289 F293 M374 I378 F383	A43-V286 VanDerWaalsContact CA-O 3.23Å; A43-V286 WeakPolarHBondContact CA-O 3.31Å; A43-V286 HydrophobicContact CB-CG1 4Å; A43-V286 WeakPolarHBondContact CB-O 3.36Å; P58-V286 HydrophobicContact CB-CG1 4.36Å; P58-V286 HydrophobicContact CB-CG2 3.57Å; P58-V286 HydrophobicContact CG-CG1 4.03Å; P58-V286 HydrophobicContact CG-CG2 3.95Å; L282-V286 WeakPolarHBondContact O-CB 3.37Å; L282-V286 VanDerWaalsContact O-CG2 3.27Å; L282-V286 WeakPolarHBondContact O-CG2 3.45Å; L282-V286 PolarHBondContact O-N 3.38Å; V284-V286 VanDerWaalsContact C-N 3.31Å; V284-V286 PolarHBondContact O-N 2.93Å; V286-L288 PolarHBondContact O-N 3.43Å; V286-G289 PolarHBondContact O-N 2.83Å; V286-F293 HydrophobicContact CG2-CE2 3.57Å; V286-F293 HydrophobicContact CG2-CZ 3.75Å; V286-M374 HydrophobicContact CB-SD 4.01Å; V286-M374 HydrophobicContact CG1-SD 4.24Å; V286-M374 HydrophobicContact CG2-CE 3.78Å; V286-M374 HydrophobicContact CG2-SD 3.91Å; V286-I378 HydrophobicContact CG1-CD1 4Å; V286-F383 HydrophobicContact CB-CZ 4.22Å; V286-F383 HydrophobicContact CG1-CE2 3.86Å; V286-F383 HydrophobicContact CG1-CZ 3.67Å
287	A	98.9	Very high	97.7	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-60.4	-32.6	174.3	0	0	0	0	0	112.7	K42 V283 V284 G289 F383 L409 V412	K42-A287 WeakPolarHBondContact CB-O 3.35Å; K42-A287 PolarHBondContact N-O 2.68Å; V283-A287 PolarHBondContact O-N 2.97Å; V283-A287 VanDerWaalsContact O-N 3.14Å; V284-A287 CarbonylContact O-C 3.5Å; V284-A287 WeakPolarHBondContact O-CA 3.44Å; V284-A287 VanDerWaalsContact O-CB 3.23Å; V284-A287 WeakPolarHBondContact O-CB 3.37Å; V284-A287 PolarHBondContact O-N 3.28Å; A287-G289 VanDerWaalsContact C-N 3.31Å; A287-F383 HydrophobicContact CB-CE1 3.7Å; A287-F383 HydrophobicContact CB-CZ 4.22Å; A287-L409 HydrophobicContact CB-CD2 3.83Å; A287-V412 HydrophobicContact CB-CG2 4.01Å
288	L	98.9	Very high	97.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-5.9	174.8	-59.1	178.6	0	0	0	113.6	K42 W255 V258 T262 V284 C285 V286 V412	K42-L288 WeakPolarHBondContact CD-O 3.45Å; W255-L288 HydrophobicContact CB-CD1 4.17Å; V258-L288 HydrophobicContact CB-CD1 4.22Å; V258-L288 HydrophobicContact CG1-CB 4.06Å; V258-L288 HydrophobicContact CG1-CD1 3.89Å; T262-L288 WeakPolarHBondContact CB-O 3.26Å; T262-L288 WeakPolarHBondContact CG2-O 3.49Å; T262-L288 PolarHBondContact OG1-O 3.36Å; V284-L288 HydrophobicContact CG1-CD1 4.04Å; V284-L288 HydrophobicContact CG1-CG 4.3Å; V284-L288 WeakPolarHBondContact O-CG 3.22Å; V284-L288 PolarHBondContact O-N 3.22Å; C285-L288 CarbonylContact O-C 3.58Å; C285-L288 PolarHBondContact O-N 2.86Å; V286-L288 PolarHBondContact O-N 3.43Å; L288-V412 HydrophobicContact CD2-CG1 3.83Å; L288-V412 HydrophobicContact CD2-CG2 4.4Å
289	G	98.7	Very high	97.6	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.045	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.6	21.1	169.6	0	0	0	0	0	116.3	K42 R271 C285 V286 A287	K42-G289 VanDerWaalsContact O-CA 3.23Å; K42-G289 WeakPolarHBondContact O-CA 3.36Å; R271-G289 WeakPolarHBondContact CD-O 3.25Å; R271-G289 PolarHBondContact NH1-O 2.77Å; C285-G289 PolarHBondContact O-N 2.87Å; V286-G289 PolarHBondContact O-N 2.83Å; A287-G289 VanDerWaalsContact C-N 3.31Å
290	C	98.8	Very high	97.4	Very high	2 Å²	2	11.8 Å²	11.8	1%	0.014	6%	0.058	C	C	.	.			trans	-79.9	144.4	168.5	-63.4	0	0	0	0	111.9	L273 C285 F293	L273-C290 HydrophobicContact CB-CB 4.33Å; C285-C290 HydrophobicContact CB-CB 4.31Å; C285-C290 WeakPolarHBondContact O-CB 3.23Å; C285-C290 PolarHBondContact O-N 3.1Å; C290-F293 HydrophobicContact CB-CE1 3.84Å; C290-F293 HydrophobicContact CB-CE2 4.31Å; C290-F293 HydrophobicContact CB-CZ 3.48Å; C290-F293 VanDerWaalsContact CB-CZ 3.48Å
291	D	98.9	Very high	97.3	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.059	C	C	.	.			trans	-111.4	-27.6	-175.2	-50.2	-69.9	0	0	0	113.5	R44 T57 P58 V59 R271	R44-D291 IonicContact CZ-OD1 3.55Å; R44-D291 IonicContact CZ-OD2 2.71Å; R44-D291 IonicContact NE-OD1 3.55Å; R44-D291 PolarHBondContact NE-OD1 3.35Å; R44-D291 VanDerWaalsContact NH2-CG 3.29Å; R44-D291 IonicContact NH2-OD1 3.74Å; R44-D291 PolarHBondContact NH2-OD1 3.43Å; R44-D291 VanDerWaalsContact NH2-OD1 3.13Å; R44-D291 IonicContact NH2-OD2 2.64Å; R44-D291 PolarHBondContact NH2-OD2 2.73Å; T57-D291 WeakPolarHBondContact CB-O 3.41Å; T57-D291 HydrophobicContact CG2-CB 4.25Å; P58-D291 CarbonylContact C-O 3.43Å; P58-D291 WeakPolarHBondContact CA-O 3.45Å; V59-D291 PolarHBondContact N-O 2.89Å; R271-D291 WeakPolarHBondContact CB-OD2 3.16Å; R271-D291 PolarHBondContact N-OD2 3.45Å; R271-D291 PolarHBondContact O-N 3.5Å
292	M	98.9	Very high	97.1	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.4	-174.6	-54.1	170.6	63.2	0	0	110.3	L48 T57 V59 M61 I84 L118 I169 F213 P270 R271 Y272 L273	L48-M292 HydrophobicContact CD1-CE 4.48Å; L48-M292 HydrophobicContact CD1-CG 4.19Å; L48-M292 HydrophobicContact CD1-SD 3.67Å; T57-M292 HydrophobicContact CG2-CG 4.49Å; V59-M292 HydrophobicContact CG1-CB 4.09Å; V59-M292 HydrophobicContact CG1-CG 3.84Å; M61-M292 HydrophobicContact CE-CB 4.14Å; M61-M292 HydrophobicContact CE-CE 3.9Å; M61-M292 HydrophobicContact SD-CE 3.75Å; I84-M292 HydrophobicContact CD1-CE 4.48Å; L118-M292 HydrophobicContact CD1-CE 4.22Å; I169-M292 HydrophobicContact CD1-CE 3.79Å; F213-M292 HydrophobicContact CE2-SD 4.07Å; F213-M292 HydrophobicContact CZ-SD 4.38Å; P270-M292 HydrophobicContact CB-SD 4.01Å; R271-M292 PolarHBondContact O-N 2.92Å; R271-M292 VanDerWaalsContact O-N 3.12Å; Y272-M292 HydrophobicContact CD2-CB 3.94Å; Y272-M292 WeakPolarHBondContact CD2-O 3.5Å; Y272-M292 HydrophobicContact CG-CB 4.18Å; L273-M292 PolarHBondContact N-O 3.37Å
293	F	98.8	Very high	96.9	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	151.8	179.8	-55.6	-89	0	0	0	110.1	P58 V59 F60 M61 L273 V276 L282 C285 V286 C290 M371	P58-F293 HydrophobicContact CB-CE2 4.43Å; V59-F293 PolarHBondContact O-N 2.76Å; F60-F293 CarbonylContact C-O 3.56Å; F60-F293 WeakPolarHBondContact CA-O 3.3Å; F60-F293 HydrophobicContact CD2-CB 4.15Å; M61-F293 WeakPolarHBondContact CB-O 3.3Å; M61-F293 WeakPolarHBondContact CE-O 3.39Å; M61-F293 PolarHBondContact N-O 2.72Å; L273-F293 HydrophobicContact CB-CD1 3.94Å; L273-F293 HydrophobicContact CB-CE1 3.91Å; L273-F293 HydrophobicContact CD2-CD1 4.34Å; L273-F293 HydrophobicContact CD2-CE1 3.92Å; L273-F293 HydrophobicContact CG-CE1 4.46Å; V276-F293 HydrophobicContact CB-CD1 4.35Å; V276-F293 HydrophobicContact CG1-CD1 4.48Å; L282-F293 HydrophobicContact CD2-CB 3.66Å; L282-F293 HydrophobicContact CD2-CD1 3.52Å; L282-F293 HydrophobicContact CD2-CD2 3.99Å; L282-F293 HydrophobicContact CD2-CE1 4.12Å; L282-F293 HydrophobicContact CD2-CG 3.43Å; L282-F293 VanDerWaalsContact CD2-CG 3.43Å; C285-F293 HydrophobicContact CB-CE1 3.59Å; C285-F293 HydrophobicContact CB-CZ 3.86Å; V286-F293 HydrophobicContact CG2-CE2 3.57Å; V286-F293 HydrophobicContact CG2-CZ 3.75Å; C290-F293 HydrophobicContact CB-CE1 3.84Å; C290-F293 HydrophobicContact CB-CE2 4.31Å; C290-F293 HydrophobicContact CB-CZ 3.48Å; C290-F293 VanDerWaalsContact CB-CZ 3.48Å; F293-M371 HydrophobicContact CD2-CE 3.64Å; F293-M371 HydrophobicContact CD2-SD 4.22Å; F293-M371 HydrophobicContact CE2-CE 4.1Å; F293-M371 HydrophobicContact CE2-SD 4.49Å; F293-M371 HydrophobicContact CG-CE 4.29Å
294	D	97.4	Very high	96.7	Very high	18 Å²	18	22.6 Å²	22.6	10%	0.096	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	150.7	166.2	80.2	-70.5	0	0	0	109.4	M61 V63 L86 Y272 M274 G275 V276	M61-D294 HydrophobicContact CB-CB 4.07Å; M61-D294 HydrophobicContact CE-CB 4.21Å; M61-D294 WeakPolarHBondContact O-CA 3.47Å; V63-D294 HydrophobicContact CG2-CB 4.27Å; L86-D294 HydrophobicContact CD1-CB 3.93Å; Y272-D294 HydrophobicContact CE2-CB 4.22Å; Y272-D294 WeakPolarHBondContact CE2-OD1 3.37Å; Y272-D294 VanDerWaalsContact CZ-OD1 3.25Å; Y272-D294 PolarHBondContact OH-OD1 3.49Å; M274-D294 WeakPolarHBondContact CA-OD1 3.28Å; G275-D294 CarbonylContact C-O 3.57Å; G275-D294 VanDerWaalsContact CA-O 3.24Å; G275-D294 WeakPolarHBondContact CA-O 3.42Å; G275-D294 PolarHBondContact N-O 3.11Å; G275-D294 PolarHBondContact N-OD1 3.04Å; V276-D294 PolarHBondContact N-O 3.44Å
295	C	94.4	Very high	96.6	Very high	13 Å²	13	22.6 Å²	22.6	9%	0.088	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.2	149.4	166.7	-162.4	0	0	0	0	111	F60 G275 G277 F297	F60-C295 HydrophobicContact CE2-CB 3.87Å; F60-C295 HydrophobicContact CZ-CB 3.91Å; F60-C295 WeakPolarHBondContact CZ-O 3.42Å; G275-C295 PolarHBondContact O-SG 3.17Å; G277-C295 VanDerWaalsContact CA-CB 3.48Å; C295-F297 HydrophobicContact CB-CB 4.13Å; C295-F297 PolarHBondContact O-N 2.81Å; C295-F297 VanDerWaalsContact SG-CB 3.5Å; C295-F297 PolarHBondContact SG-N 3.03Å
296	V	93.1	Very high	96.5	Very high	54 Å²	54	23.1 Å²	23.1	33%	0.327	11%	0.106	S	C	.	.	S	Bend	trans	-73.2	-9.7	166.9	-61.3	0	0	0	0	112.8	V63 T299 R300	V63-V296 HydrophobicContact CB-CG1 4Å; V63-V296 HydrophobicContact CG1-CG1 4Å; V63-V296 HydrophobicContact CG2-CG1 4.22Å; V296-T299 PolarHBondContact O-N 3.18Å; V296-T299 PolarHBondContact O-OG1 3.13Å; V296-T299 VanDerWaalsContact O-OG1 3.13Å; V296-R300 HydrophobicContact CG2-CB 4.39Å; V296-R300 WeakPolarHBondContact O-CB 3.42Å; V296-R300 PolarHBondContact O-N 3.25Å
297	F	94.6	Very high	96.5	Very high	25 Å²	25	23.1 Å²	23.1	11%	0.11	11%	0.106	C	C	.	.	H	α-helix	trans	-46.2	-55	-173.9	-179.3	-109.4	0	0	0	114.9	G277 Y278 C295 T299 R300 T301 L308	G277-F297 WeakPolarHBondContact O-CD1 3.43Å; Y278-F297 HydrophobicContact CD1-CD2 4.44Å; Y278-F297 HydrophobicContact CD1-CE1 4.31Å; Y278-F297 AromaticContact CD1-CE2 3.86Å; Y278-F297 HydrophobicContact CD1-CE2 3.86Å; Y278-F297 AromaticContact CD1-CZ 3.79Å; Y278-F297 HydrophobicContact CD1-CZ 3.79Å; Y278-F297 HydrophobicContact CE1-CD2 4.02Å; Y278-F297 AromaticContact CE1-CE2 3.38Å; Y278-F297 HydrophobicContact CE1-CE2 3.38Å; Y278-F297 AromaticContact CE1-CZ 3.75Å; Y278-F297 HydrophobicContact CE1-CZ 3.75Å; Y278-F297 AromaticContact CZ-CE2 3.84Å; C295-F297 HydrophobicContact CB-CB 4.13Å; C295-F297 PolarHBondContact O-N 2.81Å; C295-F297 VanDerWaalsContact SG-CB 3.5Å; C295-F297 PolarHBondContact SG-N 3.03Å; F297-T299 PolarHBondContact O-N 2.77Å; F297-R300 PolarHBondContact O-N 3.13Å; F297-T301 VanDerWaalsContact O-CB 3.26Å; F297-T301 WeakPolarHBondContact O-CB 3.27Å; F297-T301 VanDerWaalsContact O-CG2 3.25Å; F297-T301 WeakPolarHBondContact O-CG2 3.26Å; F297-T301 PolarHBondContact O-N 3.03Å; F297-L308 HydrophobicContact CD1-CD1 4.43Å; F297-L308 HydrophobicContact CE1-CD1 4.17Å; F297-L308 HydrophobicContact CE1-CD2 3.57Å; F297-L308 HydrophobicContact CZ-CD2 4.02Å
298	P	95.9	Very high	96.5	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-61.1	-40.8	-177.3	23	-34.7	0	0	0	113	F60 A302 L308 N363 Q367	F60-P298 HydrophobicContact CE1-CG 3.71Å; F60-P298 HydrophobicContact CZ-CG 3.75Å; P298-A302 WeakPolarHBondContact O-CB 3.4Å; P298-A302 PolarHBondContact O-N 2.8Å; P298-L308 HydrophobicContact CB-CD1 4.36Å; P298-N363 HydrophobicContact CB-CB 3.72Å; P298-N363 WeakPolarHBondContact O-CB 3.29Å; P298-N363 PolarHBondContact O-ND2 2.96Å; P298-Q367 HydrophobicContact CB-CG 4.11Å; P298-Q367 HydrophobicContact CG-CG 4.18Å
299	T	94.3	Very high	96.5	Very high	5 Å²	5	23.5 Å²	23.5	3%	0.031	11%	0.108	C	C	.	.	H	α-helix	trans	-80.1	-34.1	-178.9	68.5	0	0	0	0	112	M69 V296 F297 R303 T360 I364	M69-T299 HydrophobicContact CE-CG2 3.68Å; V296-T299 PolarHBondContact O-N 3.18Å; V296-T299 PolarHBondContact O-OG1 3.13Å; V296-T299 VanDerWaalsContact O-OG1 3.13Å; F297-T299 PolarHBondContact O-N 2.77Å; T299-R303 PolarHBondContact O-NH1 3.31Å; T299-T360 HydrophobicContact CG2-CG2 3.85Å; T299-I364 HydrophobicContact CG2-CD1 4.14Å; T299-I364 HydrophobicContact CG2-CG1 4.35Å
300	R	93.6	Very high	96.4	Very high	104 Å²	104	24.4 Å²	24.4	39%	0.392	11%	0.114	S	C	.	.	H	α-helix	trans	-67.1	-50.2	176.5	-176.8	177.6	71.5	-170.2	1.3	110.9	V296 F297 A302 R303 F304	V296-R300 HydrophobicContact CG2-CB 4.39Å; V296-R300 WeakPolarHBondContact O-CB 3.42Å; V296-R300 PolarHBondContact O-N 3.25Å; F297-R300 PolarHBondContact O-N 3.13Å; R300-A302 VanDerWaalsContact C-N 3.29Å; R300-A302 PolarHBondContact O-N 2.86Å; R300-R303 PolarHBondContact O-N 2.99Å; R300-F304 HydrophobicContact CG-CD2 4.37Å; R300-F304 HydrophobicContact CG-CE2 3.91Å; R300-F304 WeakPolarHBondContact O-CD2 3.37Å
301	T	94.8	Very high	96.2	Very high	20 Å²	20	28.9 Å²	28.9	12%	0.123	13%	0.131	C	C	.	.	H	α-helix	trans	-68.4	-30.5	-176.3	-151.4	0	0	0	0	112.1	F297 R303 F304 G305 S306 L308 N363	F297-T301 VanDerWaalsContact O-CB 3.26Å; F297-T301 WeakPolarHBondContact O-CB 3.27Å; F297-T301 VanDerWaalsContact O-CG2 3.25Å; F297-T301 WeakPolarHBondContact O-CG2 3.26Å; F297-T301 PolarHBondContact O-N 3.03Å; T301-R303 VanDerWaalsContact C-N 3.31Å; T301-R303 PolarHBondContact O-N 3.41Å; T301-F304 CarbonylContact O-C 3.52Å; T301-F304 WeakPolarHBondContact O-CA 3.31Å; T301-F304 PolarHBondContact O-N 2.93Å; T301-G305 PolarHBondContact O-N 2.61Å; T301-S306 PolarHBondContact O-N 2.75Å; T301-S306 WeakPolarHBondContact OG1-CB 3.32Å; T301-L308 HydrophobicContact CG2-CD2 4.18Å; T301-N363 WeakPolarHBondContact CG2-ND2 3.21Å
302	A	96.1	Very high	96.1	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.5	-39.8	171.9	0	0	0	0	0	112.9	P298 R300 F304 G305 I359 T360	P298-A302 WeakPolarHBondContact O-CB 3.4Å; P298-A302 PolarHBondContact O-N 2.8Å; R300-A302 VanDerWaalsContact C-N 3.29Å; R300-A302 PolarHBondContact O-N 2.86Å; A302-F304 PolarHBondContact O-N 3.33Å; A302-G305 PolarHBondContact O-N 2.95Å; A302-I359 HydrophobicContact CB-CB 4.07Å; A302-I359 HydrophobicContact CB-CG2 3.64Å; A302-T360 VanDerWaalsContact CB-OG1 3.26Å; A302-T360 WeakPolarHBondContact CB-OG1 3.29Å
303	R	92.7	Very high	96	Very high	86 Å²	86	33.2 Å²	33.2	33%	0.325	17%	0.165	S	C	.	.	H	α-helix	trans	-69.4	-16	176.5	-63.8	-169.4	-55.2	-81.4	1.8	113.9	T299 R300 T301 M356	T299-R303 PolarHBondContact O-NH1 3.31Å; R300-R303 PolarHBondContact O-N 2.99Å; T301-R303 VanDerWaalsContact C-N 3.31Å; T301-R303 PolarHBondContact O-N 3.41Å; R303-M356 HydrophobicContact CB-SD 4.1Å; R303-M356 HydrophobicContact CG-SD 4.12Å
304	F	95.3	Very high	96	Very high	147 Å²	147	34.1 Å²	34.1	65%	0.645	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	7.1	170.3	-63.2	-69.7	0	0	0	112.5	R300 T301 A302 S306	R300-F304 HydrophobicContact CG-CD2 4.37Å; R300-F304 HydrophobicContact CG-CE2 3.91Å; R300-F304 WeakPolarHBondContact O-CD2 3.37Å; T301-F304 CarbonylContact O-C 3.52Å; T301-F304 WeakPolarHBondContact O-CA 3.31Å; T301-F304 PolarHBondContact O-N 2.93Å; A302-F304 PolarHBondContact O-N 3.33Å; F304-S306 VanDerWaalsContact C-N 3.34Å
305	G	96.4	Very high	96	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.6	18.4	175.4	0	0	0	0	0	113.9	T301 A302 T315 I316	T301-G305 PolarHBondContact O-N 2.61Å; A302-G305 PolarHBondContact O-N 2.95Å; G305-T315 CarbonylContact O-C 3.45Å; G305-I316 WeakPolarHBondContact O-CB 3.45Å; G305-I316 PolarHBondContact O-N 3.45Å
306	S	98	Very high	96.1	Very high	12 Å²	12	34.7 Å²	34.7	8%	0.084	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	120.3	175.2	-170.2	0	0	0	0	110.4	T301 F304 S313 L314 I359 N363	T301-S306 PolarHBondContact O-N 2.75Å; T301-S306 WeakPolarHBondContact OG1-CB 3.32Å; F304-S306 VanDerWaalsContact C-N 3.34Å; S306-S313 WeakPolarHBondContact OG-CB 3.26Å; S306-L314 WeakPolarHBondContact CA-O 3.39Å; S306-I359 WeakPolarHBondContact O-CG2 3.18Å; S306-N363 PolarHBondContact O-ND2 3.17Å
307	A	98.4	Very high	96.3	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128.3	174.2	0	0	0	0	0	110.1	S313 L314 I316 I328 I359 N363	A307-S313 CarbonylContact O-C 3.53Å; A307-S313 WeakPolarHBondContact O-CA 3.38Å; A307-L314 PolarHBondContact N-O 2.88Å; A307-L314 PolarHBondContact O-N 2.9Å; A307-I316 HydrophobicContact CB-CG1 4.11Å; A307-I328 HydrophobicContact CB-CD1 4.01Å; A307-I328 HydrophobicContact CB-CG1 4.35Å; A307-I328 HydrophobicContact CB-CG2 3.61Å; A307-I359 HydrophobicContact CB-CG2 4.03Å; A307-N363 WeakPolarHBondContact CA-OD1 3.5Å
308	L	98.6	Very high	96.5	Very high	8 Å²	8	38.6 Å²	38.6	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	135.6	-178.2	-58.1	-179.8	0	0	0	110.7	F297 P298 T301 H362 N363 Y366 Q367	F297-L308 HydrophobicContact CD1-CD1 4.43Å; F297-L308 HydrophobicContact CE1-CD1 4.17Å; F297-L308 HydrophobicContact CE1-CD2 3.57Å; F297-L308 HydrophobicContact CZ-CD2 4.02Å; P298-L308 HydrophobicContact CB-CD1 4.36Å; T301-L308 HydrophobicContact CG2-CD2 4.18Å; L308-H362 PolarHBondContact O-NE2 3.03Å; L308-N363 HydrophobicContact CD1-CB 4.04Å; L308-N363 HydrophobicContact CG-CB 4.19Å; L308-N363 PolarHBondContact N-OD1 3.32Å; L308-Y366 HydrophobicContact CB-CD1 3.67Å; L308-Y366 HydrophobicContact CB-CD2 4.31Å; L308-Y366 HydrophobicContact CB-CE1 4.13Å; L308-Y366 HydrophobicContact CB-CG 3.78Å; L308-Y366 HydrophobicContact CD1-CD1 3.73Å; L308-Y366 HydrophobicContact CD1-CE1 4.33Å; L308-Y366 HydrophobicContact CD1-CG 4.45Å; L308-Y366 HydrophobicContact CG-CD1 4.35Å; L308-Q367 HydrophobicContact CD1-CG 4.33Å
309	V	98.3	Very high	96.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	157	177	-68.6	0	0	0	0	109.9	W311 G312 L314 I328 D329	V309-W311 HydrophobicContact CB-CD2 4.05Å; V309-W311 HydrophobicContact CB-CE3 4.36Å; V309-W311 HydrophobicContact CB-CH2 4.24Å; V309-W311 HydrophobicContact CB-CZ2 3.92Å; V309-W311 HydrophobicContact CB-CZ3 4.46Å; V309-W311 HydrophobicContact CG1-CH2 4.4Å; V309-W311 HydrophobicContact CG1-CZ2 4.03Å; V309-W311 HydrophobicContact CG2-CD2 3.96Å; V309-W311 HydrophobicContact CG2-CG 4Å; V309-W311 HydrophobicContact CG2-CZ2 4.21Å; V309-W311 PolarHBondContact O-N 3.02Å; V309-G312 PolarHBondContact N-O 3.32Å; V309-G312 CarbonylContact O-C 3.6Å; V309-G312 PolarHBondContact O-N 3.44Å; V309-L314 HydrophobicContact CG1-CD1 3.87Å; V309-L314 HydrophobicContact CG1-CG 3.87Å; V309-L314 HydrophobicContact CG2-CD2 4.22Å; V309-L314 HydrophobicContact CG2-CG 3.99Å; V309-I328 HydrophobicContact CG1-CG2 3.76Å; V309-D329 HydrophobicContact CG1-CB 4.34Å
310	P	96.9	Very high	96.7	Very high	19 Å²	19	53.9 Å²	53.9	12%	0.123	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-18.4	-179.2	-27.7	35.5	0	0	0	115	D329 Y366 R393	P310-D329 WeakPolarHBondContact CD-OD2 3.41Å; P310-D329 WeakPolarHBondContact CG-OD2 3.25Å; P310-Y366 HydrophobicContact CG-CE2 4.25Å; P310-R393 HydrophobicContact CB-CG 4.17Å; P310-R393 VanDerWaalsContact CB-CZ 3.44Å; P310-R393 VanDerWaalsContact CB-NE 3.3Å
311	W	95.6	Very high	97	Very high	95 Å²	95	49.2 Å²	49.2	36%	0.36	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	27.2	176.9	58.6	88.1	0	0	0	112.8	V309 D329 R393	V309-W311 HydrophobicContact CB-CD2 4.05Å; V309-W311 HydrophobicContact CB-CE3 4.36Å; V309-W311 HydrophobicContact CB-CH2 4.24Å; V309-W311 HydrophobicContact CB-CZ2 3.92Å; V309-W311 HydrophobicContact CB-CZ3 4.46Å; V309-W311 HydrophobicContact CG1-CH2 4.4Å; V309-W311 HydrophobicContact CG1-CZ2 4.03Å; V309-W311 HydrophobicContact CG2-CD2 3.96Å; V309-W311 HydrophobicContact CG2-CG 4Å; V309-W311 HydrophobicContact CG2-CZ2 4.21Å; V309-W311 PolarHBondContact O-N 3.02Å; W311-D329 HydrophobicContact CH2-CB 4.28Å; W311-R393 WeakPolarHBondContact CA-O 3.45Å; W311-R393 WeakPolarHBondContact CB-O 3.48Å
312	G	95.9	Very high	97.1	Very high	25 Å²	25	50.3 Å²	50.3	26%	0.258	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	118.9	-119.7	174.9	0	0	0	0	0	113.5	V309 M394	V309-G312 PolarHBondContact N-O 3.32Å; V309-G312 CarbonylContact O-C 3.6Å; V309-G312 PolarHBondContact O-N 3.44Å; G312-M394 VanDerWaalsContact CA-SD 3.52Å; G312-M394 PolarHBondContact N-SD 3.05Å; G312-M394 VanDerWaalsContact N-SD 3.43Å
313	S	97.1	Very high	97.2	Very high	67 Å²	67	59.6 Å²	59.6	47%	0.469	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	146.5	179.6	64.2	0	0	0	0	112.2	S306 A307	S306-S313 WeakPolarHBondContact OG-CB 3.26Å; A307-S313 CarbonylContact O-C 3.53Å; A307-S313 WeakPolarHBondContact O-CA 3.38Å
314	L	98	Very high	97.5	Very high	19 Å²	19	57 Å²	57	10%	0.099	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	116.2	175	-55.4	-176.1	0	0	0	109.3	S306 A307 V309 I316 F321 I328	S306-L314 WeakPolarHBondContact CA-O 3.39Å; A307-L314 PolarHBondContact N-O 2.88Å; A307-L314 PolarHBondContact O-N 2.9Å; V309-L314 HydrophobicContact CG1-CD1 3.87Å; V309-L314 HydrophobicContact CG1-CG 3.87Å; V309-L314 HydrophobicContact CG2-CD2 4.22Å; V309-L314 HydrophobicContact CG2-CG 3.99Å; L314-I316 HydrophobicContact CB-CD1 4.42Å; L314-I316 PolarHBondContact O-N 2.82Å; L314-I316 VanDerWaalsContact O-N 3.12Å; L314-F321 HydrophobicContact CB-CE2 4.32Å; L314-F321 HydrophobicContact CB-CZ 3.93Å; L314-F321 HydrophobicContact CD1-CE1 4.38Å; L314-F321 HydrophobicContact CD1-CZ 4.39Å; L314-F321 HydrophobicContact CD2-CZ 3.99Å; L314-F321 HydrophobicContact CG-CZ 4.32Å; L314-I328 HydrophobicContact CD1-CG2 4.29Å; L314-I328 WeakPolarHBondContact CD1-O 3.48Å
315	T	97.9	Very high	97.6	Very high	43 Å²	43	56.9 Å²	56.9	26%	0.264	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	90.6	170.3	-47.1	0	0	0	0	109.1	G305 T317 K318 F321	G305-T315 CarbonylContact O-C 3.45Å; T315-T317 WeakPolarHBondContact CG2-OG1 3.44Å; T315-T317 PolarHBondContact O-N 3.09Å; T315-K318 HydrophobicContact CG2-CG 4.23Å; T315-K318 WeakPolarHBondContact O-CB 3.34Å; T315-K318 WeakPolarHBondContact O-CG 3.22Å; T315-K318 PolarHBondContact O-N 3.44Å; T315-F321 VanDerWaalsContact O-CD2 3.3Å; T315-F321 WeakPolarHBondContact O-CD2 3.37Å; T315-F321 WeakPolarHBondContact O-CE2 3.27Å
316	I	97.5	Very high	97.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-23.8	-173.5	-67.5	-64.6	0	0	0	112.4	G305 A307 L314 K318 R342 L345 H346 I359	G305-I316 WeakPolarHBondContact O-CB 3.45Å; G305-I316 PolarHBondContact O-N 3.45Å; A307-I316 HydrophobicContact CB-CG1 4.11Å; L314-I316 HydrophobicContact CB-CD1 4.42Å; L314-I316 PolarHBondContact O-N 2.82Å; L314-I316 VanDerWaalsContact O-N 3.12Å; I316-K318 PolarHBondContact O-N 3.41Å; I316-R342 HydrophobicContact CD1-CB 4.2Å; I316-R342 HydrophobicContact CD1-CG 4.06Å; I316-L345 HydrophobicContact CG2-CB 3.77Å; I316-H346 HydrophobicContact CG2-CB 4.11Å; I316-H346 PolarHBondContact O-ND1 2.84Å; I316-I359 HydrophobicContact CB-CD1 4.42Å; I316-I359 HydrophobicContact CG1-CD1 4.34Å
317	T	96.7	Very high	97.7	Very high	52 Å²	52	62.8 Å²	62.8	32%	0.319	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-11.2	176.1	60.5	0	0	0	0	114.8	T315 H346 F349	T315-T317 WeakPolarHBondContact CG2-OG1 3.44Å; T315-T317 PolarHBondContact O-N 3.09Å; T317-H346 PolarHBondContact O-CE1 3.18Å; T317-H346 VanDerWaalsContact O-CE1 3.28Å; T317-F349 HydrophobicContact CG2-CB 4.39Å; T317-F349 HydrophobicContact CG2-CD1 3.14Å; T317-F349 HydrophobicContact CG2-CE1 3.43Å; T317-F349 VanDerWaalsContact CG2-CE1 3.43Å; T317-F349 HydrophobicContact CG2-CG 3.74Å; T317-F349 HydrophobicContact CG2-CZ 4.26Å
318	K	97.9	Very high	97.7	Very high	109 Å²	109	62.8 Å²	62.8	47%	0.474	32%	0.321	S	S	.	.	S	Bend	trans	-69.6	139.8	177.7	-71.5	-178.7	177.2	-178.7	0	111.4	T315 I316 Q320 F321 H346	T315-K318 HydrophobicContact CG2-CG 4.23Å; T315-K318 WeakPolarHBondContact O-CB 3.34Å; T315-K318 WeakPolarHBondContact O-CG 3.22Å; T315-K318 PolarHBondContact O-N 3.44Å; I316-K318 PolarHBondContact O-N 3.41Å; K318-Q320 HydrophobicContact CB-CG 4.11Å; K318-Q320 PolarHBondContact O-N 3.23Å; K318-Q320 VanDerWaalsContact O-N 3.08Å; K318-F321 HydrophobicContact CB-CD2 4.09Å; K318-F321 HydrophobicContact CB-CE2 4.23Å; K318-F321 PolarHBondContact O-N 2.9Å; K318-H346 PolarHBondContact O-CE1 3.44Å; K318-H346 VanDerWaalsContact O-CE1 3.29Å; K318-H346 PolarHBondContact O-ND1 3.45Å
319	K	97.7	Very high	97.7	Very high	189 Å²	189	62.8 Å²	62.8	82%	0.822	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-56	-28.6	-177.6	-172	177.2	179.7	-179.2	0	113.9	F321 A322	K319-F321 PolarHBondContact O-N 2.61Å; K319-F321 VanDerWaalsContact O-N 3.16Å; K319-A322 VanDerWaalsContact O-CB 3.24Å; K319-A322 WeakPolarHBondContact O-CB 3.42Å; K319-A322 PolarHBondContact O-N 2.98Å
320	Q	97.9	Very high	97.6	Very high	137 Å²	137	66.8 Å²	66.8	64%	0.64	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-57.2	-28.1	177.2	71	-174.9	48.3	0	0	113.1	K318	K318-Q320 HydrophobicContact CB-CG 4.11Å; K318-Q320 PolarHBondContact O-N 3.23Å; K318-Q320 VanDerWaalsContact O-N 3.08Å
321	F	98.3	Very high	97.6	Very high	6 Å²	6	70.7 Å²	70.7	3%	0.026	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-87.1	-7.8	-179.4	-60.3	-58.8	0	0	0	113.6	L314 T315 K318 K319 K323 D324 R342 A343 H346	L314-F321 HydrophobicContact CB-CE2 4.32Å; L314-F321 HydrophobicContact CB-CZ 3.93Å; L314-F321 HydrophobicContact CD1-CE1 4.38Å; L314-F321 HydrophobicContact CD1-CZ 4.39Å; L314-F321 HydrophobicContact CD2-CZ 3.99Å; L314-F321 HydrophobicContact CG-CZ 4.32Å; T315-F321 VanDerWaalsContact O-CD2 3.3Å; T315-F321 WeakPolarHBondContact O-CD2 3.37Å; T315-F321 WeakPolarHBondContact O-CE2 3.27Å; K318-F321 HydrophobicContact CB-CD2 4.09Å; K318-F321 HydrophobicContact CB-CE2 4.23Å; K318-F321 PolarHBondContact O-N 2.9Å; K319-F321 PolarHBondContact O-N 2.61Å; K319-F321 VanDerWaalsContact O-N 3.16Å; F321-K323 PolarHBondContact O-N 2.84Å; F321-D324 HydrophobicContact CD1-CB 4.31Å; F321-D324 PolarHBondContact O-N 3.36Å; F321-D324 VanDerWaalsContact O-N 3.13Å; F321-R342 HydrophobicContact CB-CB 4.3Å; F321-R342 HydrophobicContact CD1-CB 4.16Å; F321-R342 HydrophobicContact CD1-CG 4.44Å; F321-A343 WeakPolarHBondContact O-CA 3.44Å; F321-A343 PolarHBondContact O-N 3.45Å; F321-H346 HydrophobicContact CB-CB 4.34Å
322	A	98	Very high	97.7	Very high	43 Å²	43	67.1 Å²	67.1	36%	0.355	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-22.2	-174.9	0	0	0	0	0	114.4	K319	K319-A322 VanDerWaalsContact O-CB 3.24Å; K319-A322 WeakPolarHBondContact O-CB 3.42Å; K319-A322 PolarHBondContact O-N 2.98Å
323	K	98.4	Very high	97.8	Very high	195 Å²	195	71.4 Å²	71.4	85%	0.848	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	10.2	178.3	-60.3	-175.3	178.8	-176.3	0	112.9	F321 L325	F321-K323 PolarHBondContact O-N 2.84Å; K323-L325 PolarHBondContact O-N 3.43Å
324	D	98.4	Very high	97.8	Very high	31 Å²	31	68.3 Å²	68.3	17%	0.166	35%	0.348	C	S	.	.			trans	-82.6	102.3	-179.7	-173.9	-6.6	0	0	0	110.2	F321 Q326 R342 A343	F321-D324 HydrophobicContact CD1-CB 4.31Å; F321-D324 PolarHBondContact O-N 3.36Å; F321-D324 VanDerWaalsContact O-N 3.13Å; D324-Q326 PolarHBondContact O-N 3.22Å; D324-Q326 VanDerWaalsContact OD1-CB 3.27Å; D324-Q326 WeakPolarHBondContact OD1-CB 3.48Å; D324-Q326 WeakPolarHBondContact OD1-CG 3.39Å; D324-Q326 PolarHBondContact OD1-N 3.42Å; D324-R342 HydrophobicContact CB-CB 4.15Å; D324-R342 WeakPolarHBondContact OD2-CD 3.5Å; D324-R342 IonicContact OD2-CZ 2.93Å; D324-R342 IonicContact OD2-NE 3.33Å; D324-R342 IonicContact OD2-NH1 3.67Å; D324-R342 PolarHBondContact OD2-NH1 2.89Å; D324-A343 VanDerWaalsContact O-CB 3.26Å; D324-A343 WeakPolarHBondContact O-CB 3.36Å; D324-A343 PolarHBondContact O-N 2.87Å
325	L	98.3	Very high	97.8	Very high	144 Å²	144	69.7 Å²	69.7	75%	0.754	36%	0.357	S	S	*	.			trans	-81.3	3.1	-178.7	-62.7	-179.3	0	0	0	113.8	K323 S341 A343	K323-L325 PolarHBondContact O-N 3.43Å; L325-S341 VanDerWaalsContact O-CB 3.32Å; L325-S341 WeakPolarHBondContact O-CB 3.32Å; L325-A343 HydrophobicContact CD2-CB 4.14Å
326	Q	98.3	Very high	97.8	Very high	114 Å²	114	67.6 Å²	67.6	53%	0.533	35%	0.345	S	S	.	.	S	Bend	trans	-75	157.7	175.3	-58.1	-180	30.7	0	0	111.6	D324 S341 R342	D324-Q326 PolarHBondContact O-N 3.22Å; D324-Q326 VanDerWaalsContact OD1-CB 3.27Å; D324-Q326 WeakPolarHBondContact OD1-CB 3.48Å; D324-Q326 WeakPolarHBondContact OD1-CG 3.39Å; D324-Q326 PolarHBondContact OD1-N 3.42Å; Q326-S341 CarbonylContact O-C 3.5Å; Q326-S341 VanDerWaalsContact O-CA 3.25Å; Q326-S341 WeakPolarHBondContact O-CA 3.35Å; Q326-R342 WeakPolarHBondContact O-CG 3.46Å; Q326-R342 PolarHBondContact O-N 2.91Å
327	A	98.4	Very high	97.9	Very high	22 Å²	22	68.2 Å²	68.2	18%	0.182	35%	0.349	C	S	.	.			trans	-62.4	164.9	167.1	0	0	0	0	0	111.2	D329 C337 R342	A327-D329 VanDerWaalsContact C-N 3.28Å; A327-D329 PolarHBondContact O-N 3.1Å; A327-C337 HydrophobicContact CB-CB 4.05Å; A327-C337 WeakPolarHBondContact CB-O 3.19Å; A327-R342 VanDerWaalsContact O-CZ 3.3Å; A327-R342 PolarHBondContact O-NE 3.21Å; A327-R342 PolarHBondContact O-NH2 3.06Å
328	I	98.6	Very high	97.9	Very high	0 Å²	0	73.8 Å²	73.8	0%	0	36%	0.364	C	S	.	.	S	Bend	trans	-53.7	-50.6	173.6	-62.8	167.1	0	0	0	109.8	A307 V309 L314 T336 R342 L345 H362	A307-I328 HydrophobicContact CB-CD1 4.01Å; A307-I328 HydrophobicContact CB-CG1 4.35Å; A307-I328 HydrophobicContact CB-CG2 3.61Å; V309-I328 HydrophobicContact CG1-CG2 3.76Å; L314-I328 HydrophobicContact CD1-CG2 4.29Å; L314-I328 WeakPolarHBondContact CD1-O 3.48Å; I328-T336 HydrophobicContact CD1-CG2 3.87Å; I328-R342 PolarHBondContact O-NE 2.89Å; I328-R342 PolarHBondContact O-NH2 3.38Å; I328-L345 HydrophobicContact CD1-CD1 3.58Å; I328-L345 HydrophobicContact CG1-CD1 3.68Å; I328-H362 HydrophobicContact CD1-CB 3.92Å; I328-H362 WeakPolarHBondContact CG2-NE2 3.4Å
329	D	98.1	Very high	97.9	Very high	9 Å²	9	76.9 Å²	76.9	5%	0.048	37%	0.373	C	S	.	.			trans	-134.5	119.5	174.3	177.3	-1.6	0	0	0	108.3	V309 P310 W311 A327 D331 C332	V309-D329 HydrophobicContact CG1-CB 4.34Å; P310-D329 WeakPolarHBondContact CD-OD2 3.41Å; P310-D329 WeakPolarHBondContact CG-OD2 3.25Å; W311-D329 HydrophobicContact CH2-CB 4.28Å; A327-D329 VanDerWaalsContact C-N 3.28Å; A327-D329 PolarHBondContact O-N 3.1Å; D329-D331 PolarHBondContact O-N 3.34Å; D329-D331 PolarHBondContact OD1-N 3.28Å; D329-C332 HydrophobicContact CB-CB 3.73Å; D329-C332 WeakPolarHBondContact O-CB 3.27Å; D329-C332 PolarHBondContact O-N 3.45Å; D329-C332 VanDerWaalsContact O-N 3.14Å
330	P	96.5	Very high	97.9	Very high	83 Å²	83	69.5 Å²	69.5	54%	0.539	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.9	-178.3	28.2	-35.6	0	0	0	113.4
331	D	96.9	Very high	98	Very high	102 Å²	102	64.2 Å²	64.2	55%	0.545	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-15.8	178.1	-59.5	-33.6	0	0	0	111.8	D329 R393	D329-D331 PolarHBondContact O-N 3.34Å; D329-D331 PolarHBondContact OD1-N 3.28Å; D331-R393 IonicContact OD2-CZ 3.38Å; D331-R393 IonicContact OD2-NH2 3.28Å; D331-R393 PolarHBondContact OD2-NH2 2.78Å
332	C	97.8	Very high	98	Very high	19 Å²	19	65 Å²	65	13%	0.128	32%	0.322	C	S	.	.			trans	-79	126.4	-174.2	-177.9	0	0	0	0	111.9	D329 C337	D329-C332 HydrophobicContact CB-CB 3.73Å; D329-C332 WeakPolarHBondContact O-CB 3.27Å; D329-C332 PolarHBondContact O-N 3.45Å; D329-C332 VanDerWaalsContact O-N 3.14Å; C332-C337 HydrophobicContact CB-CB 4.01Å; C332-C337 VanDerWaalsContact O-CB 3.22Å; C332-C337 WeakPolarHBondContact O-CB 3.38Å
333	Q	96.4	Very high	98	Very high	115 Å²	115	63.5 Å²	63.5	54%	0.537	31%	0.309	S	S	.	.			trans	-94.2	10.6	-178	-63.2	-57.3	-44.5	0	0	113.8	R338	Q333-R338 WeakPolarHBondContact O-CD 3.47Å; Q333-R338 PolarHBondContact O-NE 2.97Å; Q333-R338 VanDerWaalsContact O-NE 3.12Å
334	C	98.3	Very high	98	Very high	3 Å²	3	59 Å²	59	2%	0.02	29%	0.288	C	S	.	.	S	Bend	trans	-67.4	158.3	-177.5	82.5	0	0	0	0	111.8	T336 C337 R338 H362 S365	C334-T336 PolarHBondContact O-N 3.01Å; C334-C337 PolarHBondContact O-N 3.07Å; C334-C337 PolarHBondContact SG-N 2.82Å; C334-C337 VanDerWaalsContact SG-N 3.36Å; C334-R338 PolarHBondContact O-N 3.15Å; C334-R338 VanDerWaalsContact O-N 3.14Å; C334-H362 PolarHBondContact SG-ND1 2.84Å; C334-S365 WeakPolarHBondContact CB-OG 3.45Å
335	P	97.8	Very high	98	Very high	47 Å²	47	57.5 Å²	57.5	31%	0.305	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-34.1	177.5	-32.6	38.6	0	0	0	114.8	R339 I361	P335-R339 VanDerWaalsContact CA-NH1 3.31Å; P335-R339 VanDerWaalsContact CB-NH1 3.31Å; P335-R339 WeakPolarHBondContact O-CG 3.37Å; P335-R339 PolarHBondContact O-NH1 3.32Å; P335-R339 VanDerWaalsContact O-NH1 3.15Å; P335-I361 HydrophobicContact CB-CG2 4.3Å; P335-I361 HydrophobicContact CG-CG2 4.25Å
336	T	98.3	Very high	98	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-53.2	179.3	-59.5	0	0	0	0	111.9	I328 C334 R338 R339 H340 L345 H358 H362	I328-T336 HydrophobicContact CD1-CG2 3.87Å; C334-T336 PolarHBondContact O-N 3.01Å; T336-R338 PolarHBondContact O-N 3.4Å; T336-R339 PolarHBondContact O-N 3.19Å; T336-R339 VanDerWaalsContact O-N 3.12Å; T336-H340 HydrophobicContact CG2-CB 4.45Å; T336-H340 PolarHBondContact O-N 2.95Å; T336-L345 HydrophobicContact CG2-CD1 4.17Å; T336-H358 HydrophobicContact CG2-CB 3.83Å; T336-H358 PolarHBondContact OG1-O 3.43Å; T336-H362 HydrophobicContact CG2-CB 4.36Å
337	C	98.4	Very high	98	Very high	13 Å²	13	50.5 Å²	50.5	9%	0.088	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-28.6	-177.7	-75	0	0	0	0	112.9	A327 C332 C334 R339 H362	A327-C337 HydrophobicContact CB-CB 4.05Å; A327-C337 WeakPolarHBondContact CB-O 3.19Å; C332-C337 HydrophobicContact CB-CB 4.01Å; C332-C337 VanDerWaalsContact O-CB 3.22Å; C332-C337 WeakPolarHBondContact O-CB 3.38Å; C334-C337 PolarHBondContact O-N 3.07Å; C334-C337 PolarHBondContact SG-N 2.82Å; C334-C337 VanDerWaalsContact SG-N 3.36Å; C337-R339 VanDerWaalsContact C-N 3.32Å; C337-R339 PolarHBondContact O-N 3.2Å; C337-H362 VanDerWaalsContact SG-CE1 3.57Å; C337-H362 PolarHBondContact SG-ND1 3.42Å
338	R	97.9	Very high	97.9	Very high	169 Å²	169	51 Å²	51	64%	0.638	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-19.2	175.8	-72.4	-178.2	169.2	178.6	0.5	114.6	Q333 C334 T336	Q333-R338 WeakPolarHBondContact O-CD 3.47Å; Q333-R338 PolarHBondContact O-NE 2.97Å; Q333-R338 VanDerWaalsContact O-NE 3.12Å; C334-R338 PolarHBondContact O-N 3.15Å; C334-R338 VanDerWaalsContact O-N 3.14Å; T336-R338 PolarHBondContact O-N 3.4Å
339	R	97.3	Very high	97.8	Very high	174 Å²	174	52.5 Å²	52.5	66%	0.657	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	-23.8	-168	-63.2	-173.8	-176.3	94.8	-7.4	114.7	P335 T336 C337	P335-R339 VanDerWaalsContact CA-NH1 3.31Å; P335-R339 VanDerWaalsContact CB-NH1 3.31Å; P335-R339 WeakPolarHBondContact O-CG 3.37Å; P335-R339 PolarHBondContact O-NH1 3.32Å; P335-R339 VanDerWaalsContact O-NH1 3.15Å; T336-R339 PolarHBondContact O-N 3.19Å; T336-R339 VanDerWaalsContact O-N 3.12Å; C337-R339 VanDerWaalsContact C-N 3.32Å; C337-R339 PolarHBondContact O-N 3.2Å
340	H	98.2	Very high	97.4	Very high	34 Å²	34	61.3 Å²	61.3	16%	0.157	30%	0.298	C	S	.	.			trans	-127	134.4	-170.2	-57.7	-57.7	0	0	0	111.7	T336 Y344 L345 H358	T336-H340 HydrophobicContact CG2-CB 4.45Å; T336-H340 PolarHBondContact O-N 2.95Å; H340-Y344 HydrophobicContact CB-CD1 3.88Å; H340-Y344 HydrophobicContact CB-CE1 4.43Å; H340-Y344 AromaticContact CE1-CE1 3.71Å; H340-Y344 AromaticContact CG-CD1 3.82Å; H340-Y344 AromaticContact CG-CE1 3.87Å; H340-Y344 AromaticContact ND1-CD1 3.44Å; H340-Y344 WeakPolarHBondContact ND1-CD1 3.31Å; H340-Y344 AromaticContact ND1-CE1 3.22Å; H340-Y344 WeakPolarHBondContact ND1-CE1 3.32Å; H340-Y344 AromaticContact ND1-CZ 3.96Å; H340-L345 HydrophobicContact CB-CD2 4.24Å; H340-L345 HydrophobicContact CB-CG 4.29Å; H340-H358 AromaticContact CD2-CE1 3.88Å; H340-H358 AromaticContact CD2-CG 3.87Å; H340-H358 AromaticContact CD2-ND1 3.78Å; H340-H358 AromaticContact NE2-CD2 3.96Å; H340-H358 AromaticContact NE2-CE1 3.3Å; H340-H358 PolarHBondContact NE2-CE1 3.44Å; H340-H358 VanDerWaalsContact NE2-CE1 3.3Å; H340-H358 AromaticContact NE2-ND1 3.67Å; H340-H358 AromaticContact NE2-NE2 3.5Å
341	S	98.6	Very high	97.2	Very high	25 Å²	25	61.6 Å²	61.6	18%	0.175	30%	0.303	C	S	.	.			trans	-83.9	161.6	171.2	63.9	0	0	0	0	112	L325 Q326 A343 Y344 L345	L325-S341 VanDerWaalsContact O-CB 3.32Å; L325-S341 WeakPolarHBondContact O-CB 3.32Å; Q326-S341 CarbonylContact O-C 3.5Å; Q326-S341 VanDerWaalsContact O-CA 3.25Å; Q326-S341 WeakPolarHBondContact O-CA 3.35Å; S341-A343 PolarHBondContact O-N 3.29Å; S341-Y344 PolarHBondContact O-N 2.79Å; S341-Y344 PolarHBondContact OG-N 3.46Å; S341-Y344 VanDerWaalsContact OG-N 3.14Å; S341-L345 WeakPolarHBondContact O-CG 3.33Å; S341-L345 PolarHBondContact O-N 3.42Å; S341-L345 VanDerWaalsContact O-N 3.11Å
342	R	98.6	Very high	97.2	Very high	23 Å²	23	60.6 Å²	60.6	9%	0.087	30%	0.297	C	S	.	.	H	α-helix	trans	-57.7	-38.2	171.1	-66.7	163.5	-178.3	171.1	7	111.4	I316 F321 D324 Q326 A327 I328 L345 H346	I316-R342 HydrophobicContact CD1-CB 4.2Å; I316-R342 HydrophobicContact CD1-CG 4.06Å; F321-R342 HydrophobicContact CB-CB 4.3Å; F321-R342 HydrophobicContact CD1-CB 4.16Å; F321-R342 HydrophobicContact CD1-CG 4.44Å; D324-R342 HydrophobicContact CB-CB 4.15Å; D324-R342 WeakPolarHBondContact OD2-CD 3.5Å; D324-R342 IonicContact OD2-CZ 2.93Å; D324-R342 IonicContact OD2-NE 3.33Å; D324-R342 IonicContact OD2-NH1 3.67Å; D324-R342 PolarHBondContact OD2-NH1 2.89Å; Q326-R342 WeakPolarHBondContact O-CG 3.46Å; Q326-R342 PolarHBondContact O-N 2.91Å; A327-R342 VanDerWaalsContact O-CZ 3.3Å; A327-R342 PolarHBondContact O-NE 3.21Å; A327-R342 PolarHBondContact O-NH2 3.06Å; I328-R342 PolarHBondContact O-NE 2.89Å; I328-R342 PolarHBondContact O-NH2 3.38Å; R342-L345 PolarHBondContact O-N 3.39Å; R342-H346 VanDerWaalsContact O-CB 3.27Å; R342-H346 WeakPolarHBondContact O-CB 3.49Å; R342-H346 PolarHBondContact O-N 2.87Å
343	A	98.5	Very high	97	Very high	11 Å²	11	64.6 Å²	64.6	9%	0.091	32%	0.321	C	S	.	.	H	α-helix	trans	-63.5	-42.9	175.8	0	0	0	0	0	113.2	F321 D324 L325 S341 H346 A347	F321-A343 WeakPolarHBondContact O-CA 3.44Å; F321-A343 PolarHBondContact O-N 3.45Å; D324-A343 VanDerWaalsContact O-CB 3.26Å; D324-A343 WeakPolarHBondContact O-CB 3.36Å; D324-A343 PolarHBondContact O-N 2.87Å; L325-A343 HydrophobicContact CD2-CB 4.14Å; S341-A343 PolarHBondContact O-N 3.29Å; A343-H346 PolarHBondContact O-N 2.54Å; A343-A347 WeakPolarHBondContact O-CB 3.09Å; A343-A347 PolarHBondContact O-N 2.75Å
344	Y	98.4	Very high	97	Very high	100 Å²	100	60.4 Å²	60.4	39%	0.392	31%	0.306	S	S	.	.	H	α-helix	trans	-61.1	-48.5	175.5	175.6	-98.4	0	0	0	111.1	H340 S341 H346 A347 L348	H340-Y344 HydrophobicContact CB-CD1 3.88Å; H340-Y344 HydrophobicContact CB-CE1 4.43Å; H340-Y344 AromaticContact CE1-CE1 3.71Å; H340-Y344 AromaticContact CG-CD1 3.82Å; H340-Y344 AromaticContact CG-CE1 3.87Å; H340-Y344 AromaticContact ND1-CD1 3.44Å; H340-Y344 WeakPolarHBondContact ND1-CD1 3.31Å; H340-Y344 AromaticContact ND1-CE1 3.22Å; H340-Y344 WeakPolarHBondContact ND1-CE1 3.32Å; H340-Y344 AromaticContact ND1-CZ 3.96Å; S341-Y344 PolarHBondContact O-N 2.79Å; S341-Y344 PolarHBondContact OG-N 3.46Å; S341-Y344 VanDerWaalsContact OG-N 3.14Å; Y344-H346 VanDerWaalsContact C-N 3.33Å; Y344-H346 PolarHBondContact O-N 3.26Å; Y344-A347 PolarHBondContact O-N 3.19Å; Y344-L348 HydrophobicContact CD1-CD1 4.17Å; Y344-L348 HydrophobicContact CE1-CD1 3.44Å; Y344-L348 VanDerWaalsContact CE1-CD1 3.44Å; Y344-L348 HydrophobicContact CE1-CG 4.32Å; Y344-L348 HydrophobicContact CE2-CD1 3.92Å; Y344-L348 HydrophobicContact CE2-CG 4.3Å; Y344-L348 PolarHBondContact O-N 2.79Å; Y344-L348 WeakPolarHBondContact OH-CD1 3.37Å
345	L	98.3	Very high	96.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-63.4	-39.7	178.3	-62.5	172.5	0	0	0	111.8	I316 I328 T336 H340 S341 R342 L348 F349 H358 I359	I316-L345 HydrophobicContact CG2-CB 3.77Å; I328-L345 HydrophobicContact CD1-CD1 3.58Å; I328-L345 HydrophobicContact CG1-CD1 3.68Å; T336-L345 HydrophobicContact CG2-CD1 4.17Å; H340-L345 HydrophobicContact CB-CD2 4.24Å; H340-L345 HydrophobicContact CB-CG 4.29Å; S341-L345 WeakPolarHBondContact O-CG 3.33Å; S341-L345 PolarHBondContact O-N 3.42Å; S341-L345 VanDerWaalsContact O-N 3.11Å; R342-L345 PolarHBondContact O-N 3.39Å; L345-L348 PolarHBondContact O-N 3.28Å; L345-F349 WeakPolarHBondContact O-CB 3.49Å; L345-F349 PolarHBondContact O-N 3.46Å; L345-H358 HydrophobicContact CD2-CB 3.74Å; L345-I359 HydrophobicContact CD1-CG1 4.43Å
346	H	98.3	Very high	96.8	Very high	45 Å²	45	60.6 Å²	60.6	21%	0.208	30%	0.303	C	S	.	.	H	α-helix	trans	-59.6	-47.6	174.8	177.5	90.7	0	0	0	111.8	I316 T317 K318 F321 R342 A343 Y344 L348 F349	I316-H346 HydrophobicContact CG2-CB 4.11Å; I316-H346 PolarHBondContact O-ND1 2.84Å; T317-H346 PolarHBondContact O-CE1 3.18Å; T317-H346 VanDerWaalsContact O-CE1 3.28Å; K318-H346 PolarHBondContact O-CE1 3.44Å; K318-H346 VanDerWaalsContact O-CE1 3.29Å; K318-H346 PolarHBondContact O-ND1 3.45Å; F321-H346 HydrophobicContact CB-CB 4.34Å; R342-H346 VanDerWaalsContact O-CB 3.27Å; R342-H346 WeakPolarHBondContact O-CB 3.49Å; R342-H346 PolarHBondContact O-N 2.87Å; A343-H346 PolarHBondContact O-N 2.54Å; Y344-H346 VanDerWaalsContact C-N 3.33Å; Y344-H346 PolarHBondContact O-N 3.26Å; H346-L348 VanDerWaalsContact C-N 3.34Å; H346-L348 PolarHBondContact O-N 3.29Å; H346-F349 PolarHBondContact O-N 3.17Å
347	A	97.8	Very high	96.7	Very high	66 Å²	66	62.6 Å²	62.6	55%	0.545	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-39.3	-179	0	0	0	0	0	112.2	A343 Y344 S351	A343-A347 WeakPolarHBondContact O-CB 3.09Å; A343-A347 PolarHBondContact O-N 2.75Å; Y344-A347 PolarHBondContact O-N 3.19Å; A347-S351 PolarHBondContact O-OG 3.35Å
348	L	97.6	Very high	96.7	Very high	33 Å²	33	63.5 Å²	63.5	17%	0.173	32%	0.316	C	S	.	.	H	α-helix	trans	-77.5	-26.9	178.7	-70.8	-168.1	0	0	0	113.9	Y344 L345 H346 K350 S351 D352 A354 A355	Y344-L348 HydrophobicContact CD1-CD1 4.17Å; Y344-L348 HydrophobicContact CE1-CD1 3.44Å; Y344-L348 VanDerWaalsContact CE1-CD1 3.44Å; Y344-L348 HydrophobicContact CE1-CG 4.32Å; Y344-L348 HydrophobicContact CE2-CD1 3.92Å; Y344-L348 HydrophobicContact CE2-CG 4.3Å; Y344-L348 PolarHBondContact O-N 2.79Å; Y344-L348 WeakPolarHBondContact OH-CD1 3.37Å; L345-L348 PolarHBondContact O-N 3.28Å; H346-L348 VanDerWaalsContact C-N 3.34Å; H346-L348 PolarHBondContact O-N 3.29Å; L348-K350 PolarHBondContact O-N 3.36Å; L348-S351 WeakPolarHBondContact CA-OG 3.39Å; L348-S351 PolarHBondContact O-N 3.49Å; L348-S351 PolarHBondContact O-OG 3.31Å; L348-D352 HydrophobicContact CB-CB 4.46Å; L348-D352 HydrophobicContact CD2-CB 4.18Å; L348-D352 PolarHBondContact O-N 2.97Å; L348-D352 VanDerWaalsContact O-O 3.13Å; L348-A354 HydrophobicContact CD1-CB 4.35Å; L348-A355 HydrophobicContact CB-CB 3.84Å
349	F	95.8	Very high	96.7	Very high	32 Å²	32	55.5 Å²	55.5	14%	0.14	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-34	-165.9	-166.3	-91.4	0	0	0	115.1	T317 L345 H346 A355 M356 I359	T317-F349 HydrophobicContact CG2-CB 4.39Å; T317-F349 HydrophobicContact CG2-CD1 3.14Å; T317-F349 HydrophobicContact CG2-CE1 3.43Å; T317-F349 VanDerWaalsContact CG2-CE1 3.43Å; T317-F349 HydrophobicContact CG2-CG 3.74Å; T317-F349 HydrophobicContact CG2-CZ 4.26Å; L345-F349 WeakPolarHBondContact O-CB 3.49Å; L345-F349 PolarHBondContact O-N 3.46Å; H346-F349 PolarHBondContact O-N 3.17Å; F349-A355 HydrophobicContact CB-CB 4.16Å; F349-A355 HydrophobicContact CD2-CB 3.99Å; F349-M356 HydrophobicContact CE2-CG 3.85Å; F349-M356 HydrophobicContact CZ-CG 4.3Å; F349-I359 HydrophobicContact CD2-CD1 3.9Å; F349-I359 HydrophobicContact CE2-CD1 4.03Å
350	K	89.4	Confident	96.8	Very high	193 Å²	193	47.4 Å²	47.4	84%	0.839	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-12.6	178.7	-66.7	-172	178.6	-175.3	0	114.1	L348	L348-K350 PolarHBondContact O-N 3.36Å
351	S	93.4	Very high	96.7	Very high	90 Å²	90	46 Å²	46	63%	0.629	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113.6	-22.6	-170.3	52	0	0	0	0	113.3	A347 L348	A347-S351 PolarHBondContact O-OG 3.35Å; L348-S351 WeakPolarHBondContact CA-OG 3.39Å; L348-S351 PolarHBondContact O-N 3.49Å; L348-S351 PolarHBondContact O-OG 3.31Å
352	D	95.6	Very high	96.7	Very high	80 Å²	80	44.9 Å²	44.9	43%	0.428	24%	0.241	S	C	.	.			trans	-148.1	138.5	-176	-159.1	-57	0	0	0	112.6	L348 A354 A355	L348-D352 HydrophobicContact CB-CB 4.46Å; L348-D352 HydrophobicContact CD2-CB 4.18Å; L348-D352 PolarHBondContact O-N 2.97Å; L348-D352 VanDerWaalsContact O-O 3.13Å; D352-A354 PolarHBondContact O-N 3.34Å; D352-A354 VanDerWaalsContact OD1-CB 3.29Å; D352-A354 WeakPolarHBondContact OD1-CB 3.27Å; D352-A354 PolarHBondContact OD1-N 2.78Å; D352-A355 PolarHBondContact O-N 2.78Å
353	T	94.4	Very high	96.7	Very high	104 Å²	104	43.8 Å²	43.8	64%	0.638	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.6	176.1	60.8	0	0	0	0	114.1	A355 M356 H357	T353-A355 PolarHBondContact O-N 2.77Å; T353-M356 HydrophobicContact CG2-CE 3.92Å; T353-M356 WeakPolarHBondContact O-CB 3.1Å; T353-M356 PolarHBondContact O-N 3.02Å; T353-H357 PolarHBondContact O-N 3.17Å
354	A	96	Very high	96.7	Very high	26 Å²	26	43.3 Å²	43.3	22%	0.215	23%	0.232	C	C	.	.	H	α-helix	trans	-56.3	-33.5	178	0	0	0	0	0	112.8	L348 D352 M356 H357 H358	L348-A354 HydrophobicContact CD1-CB 4.35Å; D352-A354 PolarHBondContact O-N 3.34Å; D352-A354 VanDerWaalsContact OD1-CB 3.29Å; D352-A354 WeakPolarHBondContact OD1-CB 3.27Å; D352-A354 PolarHBondContact OD1-N 2.78Å; A354-M356 PolarHBondContact O-N 3.11Å; A354-H357 WeakPolarHBondContact O-CB 3.31Å; A354-H357 PolarHBondContact O-N 3.34Å; A354-H358 PolarHBondContact O-CD2 3.47Å; A354-H358 PolarHBondContact O-N 2.68Å
355	A	96.3	Very high	96.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.8	-45.4	175.6	0	0	0	0	0	112	L348 F349 D352 T353 H357 H358 I359	L348-A355 HydrophobicContact CB-CB 3.84Å; F349-A355 HydrophobicContact CB-CB 4.16Å; F349-A355 HydrophobicContact CD2-CB 3.99Å; D352-A355 PolarHBondContact O-N 2.78Å; T353-A355 PolarHBondContact O-N 2.77Å; A355-H357 VanDerWaalsContact C-N 3.3Å; A355-H357 PolarHBondContact O-N 3.41Å; A355-H358 PolarHBondContact O-N 3.47Å; A355-I359 WeakPolarHBondContact O-CD1 3.38Å; A355-I359 WeakPolarHBondContact O-CG1 3.11Å; A355-I359 PolarHBondContact O-N 3.15Å
356	M	95.8	Very high	96.7	Very high	55 Å²	55	40 Å²	40	27%	0.271	22%	0.221	S	C	.	.	H	α-helix	trans	-64.1	-37.9	177.7	-66.8	-176.3	-81.5	0	0	111.4	R303 F349 T353 A354 T360	R303-M356 HydrophobicContact CB-SD 4.1Å; R303-M356 HydrophobicContact CG-SD 4.12Å; F349-M356 HydrophobicContact CE2-CG 3.85Å; F349-M356 HydrophobicContact CZ-CG 4.3Å; T353-M356 HydrophobicContact CG2-CE 3.92Å; T353-M356 WeakPolarHBondContact O-CB 3.1Å; T353-M356 PolarHBondContact O-N 3.02Å; A354-M356 PolarHBondContact O-N 3.11Å; M356-T360 VanDerWaalsContact O-CB 3.31Å; M356-T360 WeakPolarHBondContact O-CB 3.37Å; M356-T360 PolarHBondContact O-N 2.75Å; M356-T360 PolarHBondContact O-OG1 3.43Å
357	H	97.1	Very high	96.7	Very high	41 Å²	41	37.9 Å²	37.9	19%	0.19	21%	0.211	C	C	.	.	H	α-helix	trans	-58.3	-54.2	173.9	178.3	76.3	0	0	0	111.8	G71 I72 Q76 T353 A354 A355 I359 T360 I361	G71-H357 PolarHBondContact O-CE1 2.84Å; G71-H357 PolarHBondContact O-ND1 3.26Å; I72-H357 WeakPolarHBondContact CD1-ND1 3.47Å; Q76-H357 PolarHBondContact NE2-NE2 2.79Å; Q76-H357 VanDerWaalsContact NE2-NE2 3.2Å; Q76-H357 PolarHBondContact OE1-CE1 2.85Å; T353-H357 PolarHBondContact O-N 3.17Å; A354-H357 WeakPolarHBondContact O-CB 3.31Å; A354-H357 PolarHBondContact O-N 3.34Å; A355-H357 VanDerWaalsContact C-N 3.3Å; A355-H357 PolarHBondContact O-N 3.41Å; H357-I359 PolarHBondContact O-N 3.1Å; H357-T360 WeakPolarHBondContact O-CB 3.38Å; H357-T360 PolarHBondContact O-N 3.5Å; H357-T360 VanDerWaalsContact O-N 3.11Å; H357-I361 WeakPolarHBondContact NE2-CD1 3.47Å; H357-I361 PolarHBondContact O-N 2.98Å
358	H	97.9	Very high	96.8	Very high	33 Å²	33	35.3 Å²	35.3	15%	0.153	19%	0.188	C	C	.	.	H	α-helix	trans	-63.7	-40.1	-179.3	-67.6	-50.3	0	0	0	113	T336 H340 L345 A354 A355 T360 I361 H362	T336-H358 HydrophobicContact CG2-CB 3.83Å; T336-H358 PolarHBondContact OG1-O 3.43Å; H340-H358 AromaticContact CD2-CE1 3.88Å; H340-H358 AromaticContact CD2-CG 3.87Å; H340-H358 AromaticContact CD2-ND1 3.78Å; H340-H358 AromaticContact NE2-CD2 3.96Å; H340-H358 AromaticContact NE2-CE1 3.3Å; H340-H358 PolarHBondContact NE2-CE1 3.44Å; H340-H358 VanDerWaalsContact NE2-CE1 3.3Å; H340-H358 AromaticContact NE2-ND1 3.67Å; H340-H358 AromaticContact NE2-NE2 3.5Å; L345-H358 HydrophobicContact CD2-CB 3.74Å; A354-H358 PolarHBondContact O-CD2 3.47Å; A354-H358 PolarHBondContact O-N 2.68Å; A355-H358 PolarHBondContact O-N 3.47Å; H358-T360 VanDerWaalsContact C-N 3.29Å; H358-T360 PolarHBondContact O-N 2.97Å; H358-I361 PolarHBondContact O-N 3.42Å; H358-H362 PolarHBondContact O-N 2.77Å; H358-H362 VanDerWaalsContact O-N 3.08Å
359	I	97.9	Very high	96.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-67	-34.5	175.8	-62.3	165.5	0	0	0	110.4	A302 S306 A307 I316 L345 F349 A355 H357 H362 N363	A302-I359 HydrophobicContact CB-CB 4.07Å; A302-I359 HydrophobicContact CB-CG2 3.64Å; S306-I359 WeakPolarHBondContact O-CG2 3.18Å; A307-I359 HydrophobicContact CB-CG2 4.03Å; I316-I359 HydrophobicContact CB-CD1 4.42Å; I316-I359 HydrophobicContact CG1-CD1 4.34Å; L345-I359 HydrophobicContact CD1-CG1 4.43Å; F349-I359 HydrophobicContact CD2-CD1 3.9Å; F349-I359 HydrophobicContact CE2-CD1 4.03Å; A355-I359 WeakPolarHBondContact O-CD1 3.38Å; A355-I359 WeakPolarHBondContact O-CG1 3.11Å; A355-I359 PolarHBondContact O-N 3.15Å; H357-I359 PolarHBondContact O-N 3.1Å; I359-H362 PolarHBondContact O-N 3.49Å; I359-N363 WeakPolarHBondContact O-CB 3.47Å; I359-N363 VanDerWaalsContact O-CG 3.23Å; I359-N363 PolarHBondContact O-N 3.23Å; I359-N363 PolarHBondContact O-OD1 2.98Å
360	T	97.8	Very high	97	Very high	4 Å²	4	35.5 Å²	35.5	3%	0.025	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-46.4	176	-60.7	0	0	0	0	111.7	I72 T299 A302 M356 H357 H358 H362 N363 I364	I72-T360 HydrophobicContact CD1-CG2 3.86Å; I72-T360 HydrophobicContact CG1-CG2 3.65Å; T299-T360 HydrophobicContact CG2-CG2 3.85Å; A302-T360 VanDerWaalsContact CB-OG1 3.26Å; A302-T360 WeakPolarHBondContact CB-OG1 3.29Å; M356-T360 VanDerWaalsContact O-CB 3.31Å; M356-T360 WeakPolarHBondContact O-CB 3.37Å; M356-T360 PolarHBondContact O-N 2.75Å; M356-T360 PolarHBondContact O-OG1 3.43Å; H357-T360 WeakPolarHBondContact O-CB 3.38Å; H357-T360 PolarHBondContact O-N 3.5Å; H357-T360 VanDerWaalsContact O-N 3.11Å; H358-T360 VanDerWaalsContact C-N 3.29Å; H358-T360 PolarHBondContact O-N 2.97Å; T360-H362 VanDerWaalsContact C-N 3.29Å; T360-H362 PolarHBondContact O-N 3.46Å; T360-N363 PolarHBondContact O-N 3.11Å; T360-I364 HydrophobicContact CG2-CD1 3.94Å; T360-I364 HydrophobicContact CG2-CG1 4.49Å; T360-I364 WeakPolarHBondContact O-CG1 3.38Å; T360-I364 PolarHBondContact O-N 2.59Å
361	I	98.1	Very high	97.4	Very high	6 Å²	6	26.5 Å²	26.5	3%	0.031	15%	0.154	C	C	.	.	H	α-helix	trans	-54.8	-47.9	173.2	-68.5	177.9	0	0	0	110.4	I72 L80 P335 H357 H358 S365	I72-I361 HydrophobicContact CD1-CD1 4.34Å; I72-I361 HydrophobicContact CD1-CG1 3.54Å; L80-I361 HydrophobicContact CD1-CG2 4.27Å; L80-I361 HydrophobicContact CD2-CG2 4.29Å; P335-I361 HydrophobicContact CB-CG2 4.3Å; P335-I361 HydrophobicContact CG-CG2 4.25Å; H357-I361 WeakPolarHBondContact NE2-CD1 3.47Å; H357-I361 PolarHBondContact O-N 2.98Å; H358-I361 PolarHBondContact O-N 3.42Å; I361-S365 WeakPolarHBondContact O-CB 3.26Å; I361-S365 PolarHBondContact O-N 3.26Å
362	H	98.6	Very high	97.7	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-61.1	-48.4	179.6	175.9	77.1	0	0	0	112.2	L308 I328 C334 T336 C337 H358 I359 T360 I364 S365 Y366	L308-H362 PolarHBondContact O-NE2 3.03Å; I328-H362 HydrophobicContact CD1-CB 3.92Å; I328-H362 WeakPolarHBondContact CG2-NE2 3.4Å; C334-H362 PolarHBondContact SG-ND1 2.84Å; T336-H362 HydrophobicContact CG2-CB 4.36Å; C337-H362 VanDerWaalsContact SG-CE1 3.57Å; C337-H362 PolarHBondContact SG-ND1 3.42Å; H358-H362 PolarHBondContact O-N 2.77Å; H358-H362 VanDerWaalsContact O-N 3.08Å; I359-H362 PolarHBondContact O-N 3.49Å; T360-H362 VanDerWaalsContact C-N 3.29Å; T360-H362 PolarHBondContact O-N 3.46Å; H362-I364 PolarHBondContact O-N 2.99Å; H362-S365 WeakPolarHBondContact O-CB 3.38Å; H362-S365 PolarHBondContact O-N 3.1Å; H362-Y366 PolarHBondContact O-N 3.29Å
363	N	98.6	Very high	97.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-66	-37.9	-177.6	-72.2	-4	0	0	0	112.4	P298 T301 S306 A307 L308 I359 T360 Y366 Q367	P298-N363 HydrophobicContact CB-CB 3.72Å; P298-N363 WeakPolarHBondContact O-CB 3.29Å; P298-N363 PolarHBondContact O-ND2 2.96Å; T301-N363 WeakPolarHBondContact CG2-ND2 3.21Å; S306-N363 PolarHBondContact O-ND2 3.17Å; A307-N363 WeakPolarHBondContact CA-OD1 3.5Å; L308-N363 HydrophobicContact CD1-CB 4.04Å; L308-N363 HydrophobicContact CG-CB 4.19Å; L308-N363 PolarHBondContact N-OD1 3.32Å; I359-N363 WeakPolarHBondContact O-CB 3.47Å; I359-N363 VanDerWaalsContact O-CG 3.23Å; I359-N363 PolarHBondContact O-N 3.23Å; I359-N363 PolarHBondContact O-OD1 2.98Å; T360-N363 PolarHBondContact O-N 3.11Å; N363-Y366 PolarHBondContact O-N 3.03Å; N363-Q367 WeakPolarHBondContact O-CG 3.46Å; N363-Q367 PolarHBondContact O-N 2.86Å
364	I	98.1	Very high	98	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65.1	-46.4	173.1	-67.4	171.4	0	0	0	109.8	P62 M69 I72 L77 L80 T299 T360 H362 Y366 Q367 L368	P62-I364 HydrophobicContact CB-CD1 4.41Å; P62-I364 HydrophobicContact CG-CG2 3.9Å; M69-I364 HydrophobicContact CE-CD1 4.09Å; I72-I364 HydrophobicContact CG1-CD1 4.35Å; L77-I364 HydrophobicContact CD1-CD1 4.43Å; L77-I364 HydrophobicContact CD1-CG2 4.05Å; L80-I364 HydrophobicContact CD1-CB 4.14Å; L80-I364 HydrophobicContact CD1-CG2 3.83Å; T299-I364 HydrophobicContact CG2-CD1 4.14Å; T299-I364 HydrophobicContact CG2-CG1 4.35Å; T360-I364 HydrophobicContact CG2-CD1 3.94Å; T360-I364 HydrophobicContact CG2-CG1 4.49Å; T360-I364 WeakPolarHBondContact O-CG1 3.38Å; T360-I364 PolarHBondContact O-N 2.59Å; H362-I364 PolarHBondContact O-N 2.99Å; I364-Y366 VanDerWaalsContact C-N 3.26Å; I364-Y366 PolarHBondContact O-N 3.19Å; I364-Q367 PolarHBondContact O-N 3.5Å; I364-L368 HydrophobicContact CG2-CD1 3.81Å; I364-L368 HydrophobicContact CG2-CG 4.2Å; I364-L368 WeakPolarHBondContact O-CG 3.36Å; I364-L368 PolarHBondContact O-N 3.23Å
365	S	98.4	Very high	98.2	Very high	9 Å²	9	22.3 Å²	22.3	6%	0.063	11%	0.108	C	C	.	.	H	α-helix	trans	-56.6	-40.7	177	-172.1	0	0	0	0	112.1	C334 I361 H362 T369	C334-S365 WeakPolarHBondContact CB-OG 3.45Å; I361-S365 WeakPolarHBondContact O-CB 3.26Å; I361-S365 PolarHBondContact O-N 3.26Å; H362-S365 WeakPolarHBondContact O-CB 3.38Å; H362-S365 PolarHBondContact O-N 3.1Å; S365-T369 VanDerWaalsContact O-CB 3.26Å; S365-T369 WeakPolarHBondContact O-CB 3.29Å; S365-T369 PolarHBondContact O-N 3.33Å; S365-T369 PolarHBondContact O-OG1 3.38Å
366	Y	98.7	Very high	98.3	Very high	23 Å²	23	26.7 Å²	26.7	9%	0.09	13%	0.129	C	C	.	.	H	α-helix	trans	-58.8	-51.6	176	175.1	-91.2	0	0	0	111.4	A279 L308 P310 H362 N363 I364 L368 T369 L370	A279-Y366 HydrophobicContact CB-CE1 4.14Å; L308-Y366 HydrophobicContact CB-CD1 3.67Å; L308-Y366 HydrophobicContact CB-CD2 4.31Å; L308-Y366 HydrophobicContact CB-CE1 4.13Å; L308-Y366 HydrophobicContact CB-CG 3.78Å; L308-Y366 HydrophobicContact CD1-CD1 3.73Å; L308-Y366 HydrophobicContact CD1-CE1 4.33Å; L308-Y366 HydrophobicContact CD1-CG 4.45Å; L308-Y366 HydrophobicContact CG-CD1 4.35Å; P310-Y366 HydrophobicContact CG-CE2 4.25Å; H362-Y366 PolarHBondContact O-N 3.29Å; N363-Y366 PolarHBondContact O-N 3.03Å; I364-Y366 VanDerWaalsContact C-N 3.26Å; I364-Y366 PolarHBondContact O-N 3.19Å; Y366-L368 PolarHBondContact O-N 3.35Å; Y366-T369 PolarHBondContact O-N 3.32Å; Y366-L370 HydrophobicContact CE1-CD2 4.35Å; Y366-L370 WeakPolarHBondContact O-CB 3.32Å; Y366-L370 PolarHBondContact O-N 3.34Å
367	Q	98.5	Very high	98.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.2	-45	-179.2	-63	-72.8	74.4	0	0	112	F60 G277 P298 L308 N363 I364 T369 L370 M371	F60-Q367 HydrophobicContact CB-CB 4.31Å; F60-Q367 HydrophobicContact CD1-CB 3.68Å; F60-Q367 HydrophobicContact CD1-CG 4.18Å; F60-Q367 HydrophobicContact CE1-CB 4.13Å; F60-Q367 HydrophobicContact CE1-CG 4.13Å; F60-Q367 HydrophobicContact CG-CB 3.9Å; F60-Q367 HydrophobicContact CG-CG 4.48Å; F60-Q367 HydrophobicContact CZ-CG 4.37Å; G277-Q367 PolarHBondContact O-NE2 3.36Å; P298-Q367 HydrophobicContact CB-CG 4.11Å; P298-Q367 HydrophobicContact CG-CG 4.18Å; L308-Q367 HydrophobicContact CD1-CG 4.33Å; N363-Q367 WeakPolarHBondContact O-CG 3.46Å; N363-Q367 PolarHBondContact O-N 2.86Å; I364-Q367 PolarHBondContact O-N 3.5Å; Q367-T369 VanDerWaalsContact C-N 3.29Å; Q367-T369 PolarHBondContact O-N 2.89Å; Q367-L370 PolarHBondContact O-N 3.5Å; Q367-M371 VanDerWaalsContact O-CG 3.31Å; Q367-M371 WeakPolarHBondContact O-CG 3.47Å; Q367-M371 PolarHBondContact O-N 3.26Å
368	L	98.5	Very high	98.5	Very high	12 Å²	12	22.2 Å²	22.2	6%	0.063	11%	0.107	C	C	.	.	H	α-helix	trans	-65.1	-34.6	178.2	-64.2	178.1	0	0	0	112	L80 C82 I364 Y366 R372	L80-L368 HydrophobicContact CB-CD1 3.99Å; C82-L368 HydrophobicContact CB-CD1 3.96Å; I364-L368 HydrophobicContact CG2-CD1 3.81Å; I364-L368 HydrophobicContact CG2-CG 4.2Å; I364-L368 WeakPolarHBondContact O-CG 3.36Å; I364-L368 PolarHBondContact O-N 3.23Å; Y366-L368 PolarHBondContact O-N 3.35Å; L368-R372 WeakPolarHBondContact O-CG 3.47Å; L368-R372 PolarHBondContact O-N 3.05Å; L368-R372 VanDerWaalsContact O-N 3.11Å; L368-R372 PolarHBondContact O-NE 3.39Å; L368-R372 VanDerWaalsContact O-NE 3.16Å
369	T	98.6	Very high	98.6	Very high	55 Å²	55	23.7 Å²	23.7	34%	0.337	12%	0.116	S	C	.	.	H	α-helix	trans	-73.2	-38.3	177.1	-56.9	0	0	0	0	111.5	S365 Y366 Q367 R372 S373	S365-T369 VanDerWaalsContact O-CB 3.26Å; S365-T369 WeakPolarHBondContact O-CB 3.29Å; S365-T369 PolarHBondContact O-N 3.33Å; S365-T369 PolarHBondContact O-OG1 3.38Å; Y366-T369 PolarHBondContact O-N 3.32Å; Q367-T369 VanDerWaalsContact C-N 3.29Å; Q367-T369 PolarHBondContact O-N 2.89Å; T369-R372 PolarHBondContact O-N 3.46Å; T369-R372 PolarHBondContact OG1-NH2 2.97Å; T369-S373 WeakPolarHBondContact O-CB 3.41Å; T369-S373 PolarHBondContact O-N 3.31Å; T369-S373 PolarHBondContact O-OG 2.96Å
370	L	98.8	Very high	98.6	Very high	13 Å²	13	27.3 Å²	27.3	7%	0.068	14%	0.135	C	C	.	.	H	α-helix	trans	-59.1	-47.9	174.4	179.5	60.5	0	0	0	110.7	A279 L282 V283 Y366 Q367 S373 M374 F386 F390	A279-L370 HydrophobicContact CB-CD2 3.98Å; L282-L370 HydrophobicContact CD1-CD2 4.32Å; V283-L370 HydrophobicContact CG2-CD1 4.13Å; Y366-L370 HydrophobicContact CE1-CD2 4.35Å; Y366-L370 WeakPolarHBondContact O-CB 3.32Å; Y366-L370 PolarHBondContact O-N 3.34Å; Q367-L370 PolarHBondContact O-N 3.5Å; L370-S373 PolarHBondContact O-N 2.86Å; L370-M374 HydrophobicContact CG-CE 4.24Å; L370-M374 WeakPolarHBondContact O-CG 3.27Å; L370-M374 PolarHBondContact O-N 2.86Å; L370-F386 HydrophobicContact CD1-CZ 3.99Å; L370-F390 HydrophobicContact CD1-CD2 4.15Å; L370-F390 HydrophobicContact CD1-CE2 4.04Å
371	M	98.8	Very high	98.6	Very high	5 Å²	5	29.1 Å²	29.1	3%	0.025	15%	0.154	C	C	.	.	H	α-helix	trans	-59.8	-47	176.2	-70.3	-66	159.5	0	0	112.9	P58 F60 L282 F293 Q367 S373 M374 R375	P58-M371 HydrophobicContact CB-SD 3.89Å; P58-M371 HydrophobicContact CG-SD 4.35Å; P58-M371 WeakPolarHBondContact O-CB 3.15Å; F60-M371 HydrophobicContact CB-CE 4.04Å; F60-M371 HydrophobicContact CB-CG 3.72Å; F60-M371 HydrophobicContact CB-SD 4.46Å; L282-M371 HydrophobicContact CB-CE 3.79Å; L282-M371 HydrophobicContact CD1-CE 3.73Å; L282-M371 HydrophobicContact CD2-CE 3.62Å; L282-M371 HydrophobicContact CG-CE 3.89Å; F293-M371 HydrophobicContact CD2-CE 3.64Å; F293-M371 HydrophobicContact CD2-SD 4.22Å; F293-M371 HydrophobicContact CE2-CE 4.1Å; F293-M371 HydrophobicContact CE2-SD 4.49Å; F293-M371 HydrophobicContact CG-CE 4.29Å; Q367-M371 VanDerWaalsContact O-CG 3.31Å; Q367-M371 WeakPolarHBondContact O-CG 3.47Å; Q367-M371 PolarHBondContact O-N 3.26Å; M371-S373 VanDerWaalsContact C-N 3.31Å; M371-S373 PolarHBondContact O-N 3.25Å; M371-M374 HydrophobicContact CE-CE 3.68Å; M371-M374 HydrophobicContact CG-CE 4.38Å; M371-M374 PolarHBondContact O-N 3.1Å; M371-M374 HydrophobicContact SD-CE 3.39Å; M371-M374 WeakPolarHBondContact SD-CE 3.24Å; M371-R375 WeakPolarHBondContact O-CB 3.27Å; M371-R375 PolarHBondContact O-N 3.27Å
372	R	98.7	Very high	98.6	Very high	133 Å²	133	34 Å²	34	50%	0.502	17%	0.172	S	C	.	.	H	α-helix	trans	-60	-40.9	175.2	-78.1	-179.5	-82.5	151.3	-13.3	112.5	L368 T369 R375 Q376	L368-R372 WeakPolarHBondContact O-CG 3.47Å; L368-R372 PolarHBondContact O-N 3.05Å; L368-R372 VanDerWaalsContact O-N 3.11Å; L368-R372 PolarHBondContact O-NE 3.39Å; L368-R372 VanDerWaalsContact O-NE 3.16Å; T369-R372 PolarHBondContact O-N 3.46Å; T369-R372 PolarHBondContact OG1-NH2 2.97Å; R372-R375 PolarHBondContact O-N 3.32Å; R372-Q376 WeakPolarHBondContact O-CB 3.3Å; R372-Q376 PolarHBondContact O-N 3.03Å
373	S	98.7	Very high	98.6	Very high	48 Å²	48	34 Å²	34	34%	0.336	17%	0.172	S	C	.	.	H	α-helix	trans	-68	-42.9	179.8	-56.1	0	0	0	0	111.8	T369 L370 M371 Q376 S377	T369-S373 WeakPolarHBondContact O-CB 3.41Å; T369-S373 PolarHBondContact O-N 3.31Å; T369-S373 PolarHBondContact O-OG 2.96Å; L370-S373 PolarHBondContact O-N 2.86Å; M371-S373 VanDerWaalsContact C-N 3.31Å; M371-S373 PolarHBondContact O-N 3.25Å; S373-Q376 PolarHBondContact O-N 3.42Å; S373-S377 PolarHBondContact O-N 2.89Å; S373-S377 PolarHBondContact O-OG 3.41Å
374	M	98.8	Very high	98.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.2	-51.4	172.7	-74.5	-170	-64.5	0	0	110.7	P58 V283 V286 L370 M371 Q376 S377 I378 F383 F386	P58-M374 HydrophobicContact CG-CB 4.06Å; P58-M374 HydrophobicContact CG-CE 4.38Å; V283-M374 HydrophobicContact CB-SD 4.28Å; V283-M374 HydrophobicContact CG2-SD 3.8Å; V286-M374 HydrophobicContact CB-SD 4.01Å; V286-M374 HydrophobicContact CG1-SD 4.24Å; V286-M374 HydrophobicContact CG2-CE 3.78Å; V286-M374 HydrophobicContact CG2-SD 3.91Å; L370-M374 HydrophobicContact CG-CE 4.24Å; L370-M374 WeakPolarHBondContact O-CG 3.27Å; L370-M374 PolarHBondContact O-N 2.86Å; M371-M374 HydrophobicContact CE-CE 3.68Å; M371-M374 HydrophobicContact CG-CE 4.38Å; M371-M374 PolarHBondContact O-N 3.1Å; M371-M374 HydrophobicContact SD-CE 3.39Å; M371-M374 WeakPolarHBondContact SD-CE 3.24Å; M374-Q376 VanDerWaalsContact C-N 3.35Å; M374-Q376 PolarHBondContact O-N 3.5Å; M374-S377 PolarHBondContact O-N 3.22Å; M374-S377 VanDerWaalsContact O-N 3.14Å; M374-S377 PolarHBondContact O-OG 3.48Å; M374-I378 WeakPolarHBondContact O-CG1 3.44Å; M374-I378 PolarHBondContact O-N 3.46Å; M374-F383 HydrophobicContact CB-CE2 4.08Å; M374-F383 HydrophobicContact CG-CE2 4Å; M374-F383 HydrophobicContact SD-CE2 4.29Å; M374-F386 HydrophobicContact CB-CE1 4.42Å; M374-F386 HydrophobicContact CG-CD1 4.05Å; M374-F386 HydrophobicContact CG-CE1 3.33Å; M374-F386 HydrophobicContact CG-CZ 3.75Å; M374-F386 HydrophobicContact SD-CE1 4.36Å
375	R	98.8	Very high	98.7	Very high	31 Å²	31	38.6 Å²	38.6	12%	0.117	20%	0.198	C	C	.	.	H	α-helix	trans	-52.4	-51.7	177.1	-177.6	-176.5	171.6	90.9	-6.2	112	A45 C46 D47 T57 M371 R372 S377 I378 I379	A45-R375 HydrophobicContact CB-CG 3.88Å; C46-R375 PolarHBondContact O-NH1 3.25Å; D47-R375 IonicContact OD1-CZ 3.31Å; D47-R375 IonicContact OD1-NH1 3.34Å; D47-R375 IonicContact OD1-NH2 2.74Å; D47-R375 PolarHBondContact OD1-NH2 2.88Å; T57-R375 VanDerWaalsContact N-NH1 3.17Å; T57-R375 WeakPolarHBondContact O-CG 3.41Å; T57-R375 PolarHBondContact O-NH1 3.48Å; M371-R375 WeakPolarHBondContact O-CB 3.27Å; M371-R375 PolarHBondContact O-N 3.27Å; R372-R375 PolarHBondContact O-N 3.32Å; R375-S377 VanDerWaalsContact C-N 3.31Å; R375-S377 PolarHBondContact O-N 2.81Å; R375-I378 PolarHBondContact O-N 3.5Å; R375-I379 HydrophobicContact CG-CD1 4.01Å; R375-I379 WeakPolarHBondContact O-CG1 3.47Å; R375-I379 PolarHBondContact O-N 3.36Å
376	Q	98.9	Very high	98.7	Very high	92 Å²	92	39.8 Å²	39.8	43%	0.43	20%	0.202	S	C	.	.	H	α-helix	trans	-61.7	-41.8	-179	-170.2	61.2	49.5	0	0	111.3	R372 S373 M374 I378 I379 D380	R372-Q376 WeakPolarHBondContact O-CB 3.3Å; R372-Q376 PolarHBondContact O-N 3.03Å; S373-Q376 PolarHBondContact O-N 3.42Å; M374-Q376 VanDerWaalsContact C-N 3.35Å; M374-Q376 PolarHBondContact O-N 3.5Å; Q376-I378 VanDerWaalsContact C-N 3.29Å; Q376-I378 PolarHBondContact O-N 2.81Å; Q376-I379 PolarHBondContact O-N 2.92Å; Q376-D380 PolarHBondContact NE2-OD1 2.78Å; Q376-D380 WeakPolarHBondContact O-CB 3.43Å; Q376-D380 PolarHBondContact O-N 3.33Å
377	S	98.9	Very high	98.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-66.3	-28.2	177.7	69.9	0	0	0	0	113.9	S373 M374 R375 G381 R382 F383	S373-S377 PolarHBondContact O-N 2.89Å; S373-S377 PolarHBondContact O-OG 3.41Å; M374-S377 PolarHBondContact O-N 3.22Å; M374-S377 VanDerWaalsContact O-N 3.14Å; M374-S377 PolarHBondContact O-OG 3.48Å; R375-S377 VanDerWaalsContact C-N 3.31Å; R375-S377 PolarHBondContact O-N 2.81Å; S377-G381 PolarHBondContact O-N 3.47Å; S377-R382 CarbonylContact O-C 3.41Å; S377-R382 PolarHBondContact O-N 2.78Å; S377-F383 PolarHBondContact O-N 3.4Å; S377-F383 WeakPolarHBondContact OG-CD2 3.18Å
378	I	98.9	Very high	98.7	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-69.8	-47	171.9	-63.1	160.6	0	0	0	110	A36 A43 A45 P58 V286 M374 R375 Q376 D380 G381 F383	A36-I378 HydrophobicContact CB-CG2 4.31Å; A43-I378 HydrophobicContact CB-CD1 3.85Å; A43-I378 HydrophobicContact CB-CG1 4.03Å; A45-I378 HydrophobicContact CB-CB 4.19Å; A45-I378 HydrophobicContact CB-CG2 3.96Å; P58-I378 HydrophobicContact CG-CD1 4.48Å; V286-I378 HydrophobicContact CG1-CD1 4Å; M374-I378 WeakPolarHBondContact O-CG1 3.44Å; M374-I378 PolarHBondContact O-N 3.46Å; R375-I378 PolarHBondContact O-N 3.5Å; Q376-I378 VanDerWaalsContact C-N 3.29Å; Q376-I378 PolarHBondContact O-N 2.81Å; I378-D380 VanDerWaalsContact C-N 3.29Å; I378-D380 PolarHBondContact O-N 3.29Å; I378-G381 PolarHBondContact O-N 2.93Å; I378-F383 HydrophobicContact CD1-CD2 4.11Å; I378-F383 HydrophobicContact CD1-CE2 4.35Å; I378-F383 HydrophobicContact CG1-CB 3.86Å; I378-F383 HydrophobicContact CG1-CD2 3.53Å; I378-F383 HydrophobicContact CG1-CE2 4.25Å; I378-F383 HydrophobicContact CG1-CG 3.75Å
379	I	98.8	Very high	98.6	Very high	64 Å²	64	46 Å²	46	33%	0.328	24%	0.235	S	C	.	.	H	α-helix	trans	-59.5	-41.6	177	-67.4	170.1	0	0	0	111.2	I35 A36 A45 R375 Q376 G381	I35-I379 HydrophobicContact CG2-CD1 4.32Å; I35-I379 HydrophobicContact CG2-CG1 4.29Å; A36-I379 HydrophobicContact CB-CB 4.46Å; A36-I379 HydrophobicContact CB-CG1 4.14Å; A45-I379 HydrophobicContact CB-CD1 4.29Å; A45-I379 HydrophobicContact CB-CG1 3.82Å; R375-I379 HydrophobicContact CG-CD1 4.01Å; R375-I379 WeakPolarHBondContact O-CG1 3.47Å; R375-I379 PolarHBondContact O-N 3.36Å; Q376-I379 PolarHBondContact O-N 2.92Å; I379-G381 PolarHBondContact O-N 3.28Å
380	D	98.6	Very high	98.6	Very high	76 Å²	76	44.3 Å²	44.3	41%	0.406	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	-1	178.8	-63.4	-12.4	0	0	0	113.3	Q376 I378 R382	Q376-D380 PolarHBondContact NE2-OD1 2.78Å; Q376-D380 WeakPolarHBondContact O-CB 3.43Å; Q376-D380 PolarHBondContact O-N 3.33Å; I378-D380 VanDerWaalsContact C-N 3.29Å; I378-D380 PolarHBondContact O-N 3.29Å; D380-R382 VanDerWaalsContact C-N 3.27Å; D380-R382 HydrophobicContact CB-CG 3.79Å; D380-R382 PolarHBondContact O-N 3.39Å; D380-R382 IonicContact OD2-CZ 3.28Å; D380-R382 VanDerWaalsContact OD2-CZ 3.28Å; D380-R382 IonicContact OD2-NE 2.87Å; D380-R382 PolarHBondContact OD2-NE 2.94Å; D380-R382 IonicContact OD2-NH2 2.8Å; D380-R382 PolarHBondContact OD2-NH2 3.33Å
381	G	98.3	Very high	98.6	Very high	42 Å²	42	43.7 Å²	43.7	43%	0.433	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	19.1	-179.2	0	0	0	0	0	115.2	S377 I378 I379	S377-G381 PolarHBondContact O-N 3.47Å; I378-G381 PolarHBondContact O-N 2.93Å; I379-G381 PolarHBondContact O-N 3.28Å
382	R	98.4	Very high	98.5	Very high	108 Å²	108	48.9 Å²	48.9	41%	0.408	24%	0.242	S	C	.	.			trans	-122.9	22.8	-173.5	67.4	-172.1	175.7	82.1	4.3	114	S377 D380 D385 F386	S377-R382 CarbonylContact O-C 3.41Å; S377-R382 PolarHBondContact O-N 2.78Å; D380-R382 VanDerWaalsContact C-N 3.27Å; D380-R382 HydrophobicContact CB-CG 3.79Å; D380-R382 PolarHBondContact O-N 3.39Å; D380-R382 IonicContact OD2-CZ 3.28Å; D380-R382 VanDerWaalsContact OD2-CZ 3.28Å; D380-R382 IonicContact OD2-NE 2.87Å; D380-R382 PolarHBondContact OD2-NE 2.94Å; D380-R382 IonicContact OD2-NH2 2.8Å; D380-R382 PolarHBondContact OD2-NH2 3.33Å; R382-D385 PolarHBondContact O-N 2.94Å; R382-F386 PolarHBondContact O-N 2.81Å; R382-F386 VanDerWaalsContact O-N 3.1Å
383	F	98.8	Very high	98.3	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.8	-40.8	-179.8	-177.8	-103.6	0	0	0	113.8	C38 T41 A43 V286 A287 M374 S377 I378 D385 F386 V387 I414	C38-F383 HydrophobicContact CB-CB 4.43Å; T41-F383 HydrophobicContact CG2-CD1 4.29Å; A43-F383 HydrophobicContact CB-CD1 3.72Å; A43-F383 HydrophobicContact CB-CE1 3.65Å; A43-F383 HydrophobicContact CB-CG 4.23Å; A43-F383 HydrophobicContact CB-CZ 4.11Å; V286-F383 HydrophobicContact CB-CZ 4.22Å; V286-F383 HydrophobicContact CG1-CE2 3.86Å; V286-F383 HydrophobicContact CG1-CZ 3.67Å; A287-F383 HydrophobicContact CB-CE1 3.7Å; A287-F383 HydrophobicContact CB-CZ 4.22Å; M374-F383 HydrophobicContact CB-CE2 4.08Å; M374-F383 HydrophobicContact CG-CE2 4Å; M374-F383 HydrophobicContact SD-CE2 4.29Å; S377-F383 PolarHBondContact O-N 3.4Å; S377-F383 WeakPolarHBondContact OG-CD2 3.18Å; I378-F383 HydrophobicContact CD1-CD2 4.11Å; I378-F383 HydrophobicContact CD1-CE2 4.35Å; I378-F383 HydrophobicContact CG1-CB 3.86Å; I378-F383 HydrophobicContact CG1-CD2 3.53Å; I378-F383 HydrophobicContact CG1-CE2 4.25Å; I378-F383 HydrophobicContact CG1-CG 3.75Å; F383-D385 VanDerWaalsContact C-N 3.31Å; F383-D385 PolarHBondContact O-N 3.35Å; F383-F386 HydrophobicContact CD2-CD1 4.37Å; F383-F386 HydrophobicContact CE2-CD1 4.26Å; F383-F386 WeakPolarHBondContact O-CB 3.12Å; F383-F386 PolarHBondContact O-N 2.71Å; F383-F386 VanDerWaalsContact O-N 3.13Å; F383-V387 HydrophobicContact CD1-CG2 4.16Å; F383-V387 HydrophobicContact CE1-CG2 3.69Å; F383-V387 HydrophobicContact CE2-CG2 4.2Å; F383-V387 HydrophobicContact CZ-CG2 3.72Å; F383-V387 WeakPolarHBondContact O-CG2 3.3Å; F383-V387 PolarHBondContact O-N 3.09Å; F383-I414 HydrophobicContact CE1-CD1 4.48Å
384	P	98.7	Very high	98.3	Very high	11 Å²	11	46.4 Å²	46.4	7%	0.071	23%	0.227	C	C	.	.	H	α-helix	trans	-58.1	-39.1	174.9	-28.4	38.6	0	0	0	114	V40 V387 R388 I414	V40-P384 HydrophobicContact CB-CG 3.83Å; V40-P384 HydrophobicContact CG1-CG 4.12Å; V40-P384 HydrophobicContact CG2-CG 4.03Å; P384-V387 PolarHBondContact O-N 3.44Å; P384-R388 PolarHBondContact O-N 3.16Å; P384-I414 HydrophobicContact CB-CD1 4.31Å; P384-I414 HydrophobicContact CB-CG1 4.07Å; P384-I414 HydrophobicContact CG-CG1 4.42Å
385	D	98.5	Very high	98.1	Very high	87 Å²	87	48.4 Å²	48.4	47%	0.465	24%	0.236	S	C	.	.	H	α-helix	trans	-68	-40.6	175.6	-69.9	-38.5	0	0	0	111.6	R382 F383 V387 R388 T389	R382-D385 PolarHBondContact O-N 2.94Å; F383-D385 VanDerWaalsContact C-N 3.31Å; F383-D385 PolarHBondContact O-N 3.35Å; D385-V387 VanDerWaalsContact C-N 3.31Å; D385-V387 PolarHBondContact O-N 2.69Å; D385-R388 PolarHBondContact O-N 2.92Å; D385-R388 IonicContact OD1-CZ 2.65Å; D385-R388 IonicContact OD1-NE 2.89Å; D385-R388 PolarHBondContact OD1-NE 2.88Å; D385-R388 IonicContact OD1-NH2 2.66Å; D385-R388 PolarHBondContact OD1-NH2 2.96Å; D385-T389 PolarHBondContact O-N 3.04Å; D385-T389 PolarHBondContact O-OG1 3.32Å
386	F	98.6	Very high	97.7	Very high	34 Å²	34	52.1 Å²	52.1	15%	0.149	26%	0.264	C	S	.	.	H	α-helix	trans	-55.6	-46.9	172.9	172.8	-87	0	0	0	111.4	V283 L370 M374 R382 F383 T389 F390	V283-F386 HydrophobicContact CG2-CE1 4.4Å; L370-F386 HydrophobicContact CD1-CZ 3.99Å; M374-F386 HydrophobicContact CB-CE1 4.42Å; M374-F386 HydrophobicContact CG-CD1 4.05Å; M374-F386 HydrophobicContact CG-CE1 3.33Å; M374-F386 HydrophobicContact CG-CZ 3.75Å; M374-F386 HydrophobicContact SD-CE1 4.36Å; R382-F386 PolarHBondContact O-N 2.81Å; R382-F386 VanDerWaalsContact O-N 3.1Å; F383-F386 HydrophobicContact CD2-CD1 4.37Å; F383-F386 HydrophobicContact CE2-CD1 4.26Å; F383-F386 WeakPolarHBondContact O-CB 3.12Å; F383-F386 PolarHBondContact O-N 2.71Å; F383-F386 VanDerWaalsContact O-N 3.13Å; F386-T389 PolarHBondContact O-N 3.01Å; F386-F390 HydrophobicContact CE1-CB 4.41Å; F386-F390 VanDerWaalsContact O-CB 3.32Å; F386-F390 WeakPolarHBondContact O-CB 3.23Å; F386-F390 PolarHBondContact O-N 2.78Å
387	V	98.7	Very high	97.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-46.2	178	177	0	0	0	0	111.1	V283 F383 P384 D385 T389 F390 M391 L409 I414 L416	V283-V387 HydrophobicContact CG1-CB 4.34Å; V283-V387 HydrophobicContact CG1-CG1 4.07Å; V283-V387 HydrophobicContact CG1-CG2 3.78Å; F383-V387 HydrophobicContact CD1-CG2 4.16Å; F383-V387 HydrophobicContact CE1-CG2 3.69Å; F383-V387 HydrophobicContact CE2-CG2 4.2Å; F383-V387 HydrophobicContact CZ-CG2 3.72Å; F383-V387 WeakPolarHBondContact O-CG2 3.3Å; F383-V387 PolarHBondContact O-N 3.09Å; P384-V387 PolarHBondContact O-N 3.44Å; D385-V387 VanDerWaalsContact C-N 3.31Å; D385-V387 PolarHBondContact O-N 2.69Å; V387-T389 PolarHBondContact O-N 3.12Å; V387-F390 PolarHBondContact O-N 3.18Å; V387-M391 HydrophobicContact CG1-CG 4.27Å; V387-M391 WeakPolarHBondContact O-CG 3.44Å; V387-M391 PolarHBondContact O-N 2.67Å; V387-L409 HydrophobicContact CG1-CD1 3.64Å; V387-L409 HydrophobicContact CG1-CD2 3.86Å; V387-L409 HydrophobicContact CG1-CG 4.42Å; V387-I414 HydrophobicContact CB-CD1 4.01Å; V387-I414 HydrophobicContact CB-CG2 4.44Å; V387-I414 HydrophobicContact CG1-CD1 4.23Å; V387-I414 HydrophobicContact CG1-CG2 4.12Å; V387-I414 HydrophobicContact CG2-CD1 3.83Å; V387-L416 HydrophobicContact CG1-CD2 4.46Å
388	R	98.3	Very high	96.9	Very high	71 Å²	71	52 Å²	52	27%	0.268	27%	0.272	S	S	.	.	H	α-helix	trans	-58.6	-45.9	176.8	-76.4	-176	-79.1	-92.3	6	112.1	P384 D385 M391 K392 L416	P384-R388 PolarHBondContact O-N 3.16Å; D385-R388 PolarHBondContact O-N 2.92Å; D385-R388 IonicContact OD1-CZ 2.65Å; D385-R388 IonicContact OD1-NE 2.89Å; D385-R388 PolarHBondContact OD1-NE 2.88Å; D385-R388 IonicContact OD1-NH2 2.66Å; D385-R388 PolarHBondContact OD1-NH2 2.96Å; R388-M391 PolarHBondContact O-N 3.31Å; R388-K392 WeakPolarHBondContact O-CB 3.44Å; R388-K392 WeakPolarHBondContact O-CG 3.34Å; R388-K392 PolarHBondContact O-N 3.16Å; R388-L416 HydrophobicContact CG-CD2 4.07Å
389	T	97.6	Very high	96.6	Very high	95 Å²	95	59.5 Å²	59.5	58%	0.583	31%	0.307	S	S	*	.	H	α-helix	trans	-64.9	-41.3	177.3	-62.9	0	0	0	0	111.8	D385 F386 V387 R393	D385-T389 PolarHBondContact O-N 3.04Å; D385-T389 PolarHBondContact O-OG1 3.32Å; F386-T389 PolarHBondContact O-N 3.01Å; V387-T389 PolarHBondContact O-N 3.12Å; T389-R393 WeakPolarHBondContact O-CB 3.33Å; T389-R393 PolarHBondContact O-N 3.32Å
390	F	98.1	Very high	96.5	Very high	18 Å²	18	61.7 Å²	61.7	8%	0.079	32%	0.315	C	S	.	.	H	α-helix	trans	-60.4	-49.4	175.9	171.7	-91.4	0	0	0	111.3	A279 V280 V283 L370 F386 V387 K392 R393 M394	A279-F390 HydrophobicContact CB-CE2 4.17Å; A279-F390 HydrophobicContact CB-CZ 3.79Å; V280-F390 HydrophobicContact CG2-CE1 4.12Å; V280-F390 HydrophobicContact CG2-CZ 4.38Å; V283-F390 HydrophobicContact CB-CD1 4.22Å; V283-F390 HydrophobicContact CB-CE1 4.12Å; V283-F390 HydrophobicContact CG1-CD1 4.09Å; V283-F390 HydrophobicContact CG1-CE1 4.46Å; V283-F390 HydrophobicContact CG2-CD1 3.88Å; V283-F390 HydrophobicContact CG2-CD2 4.11Å; V283-F390 HydrophobicContact CG2-CE1 3.78Å; V283-F390 HydrophobicContact CG2-CE2 4.01Å; V283-F390 HydrophobicContact CG2-CG 4.05Å; V283-F390 HydrophobicContact CG2-CZ 3.84Å; L370-F390 HydrophobicContact CD1-CD2 4.15Å; L370-F390 HydrophobicContact CD1-CE2 4.04Å; F386-F390 HydrophobicContact CE1-CB 4.41Å; F386-F390 VanDerWaalsContact O-CB 3.32Å; F386-F390 WeakPolarHBondContact O-CB 3.23Å; F386-F390 PolarHBondContact O-N 2.78Å; V387-F390 PolarHBondContact O-N 3.18Å; F390-K392 PolarHBondContact O-N 3.43Å; F390-R393 PolarHBondContact O-N 3.5Å; F390-M394 HydrophobicContact CE2-CE 3.89Å; F390-M394 HydrophobicContact CZ-CE 3.66Å; F390-M394 WeakPolarHBondContact O-CB 3.31Å; F390-M394 PolarHBondContact O-N 3.43Å
391	M	98.1	Very high	96.4	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-61.9	-44.8	-179.8	-69.1	-60.5	-71.2	0	0	111.6	V280 V387 R388 R393 M394 F395 Y401 A405 L416	V280-M391 HydrophobicContact CG1-SD 4.34Å; V387-M391 HydrophobicContact CG1-CG 4.27Å; V387-M391 WeakPolarHBondContact O-CG 3.44Å; V387-M391 PolarHBondContact O-N 2.67Å; R388-M391 PolarHBondContact O-N 3.31Å; M391-R393 VanDerWaalsContact C-N 3.3Å; M391-R393 PolarHBondContact O-N 2.76Å; M391-M394 PolarHBondContact O-N 2.74Å; M391-F395 HydrophobicContact CE-CD2 3.89Å; M391-F395 HydrophobicContact CE-CE2 3.92Å; M391-F395 PolarHBondContact O-N 3.16Å; M391-F395 HydrophobicContact SD-CD2 4.41Å; M391-F395 HydrophobicContact SD-CE2 4.34Å; M391-Y401 HydrophobicContact CB-CE1 4.02Å; M391-Y401 HydrophobicContact CE-CD1 4.15Å; M391-Y401 HydrophobicContact CE-CG 4.3Å; M391-A405 HydrophobicContact CE-CB 4.26Å; M391-L416 HydrophobicContact CB-CD1 4.25Å; M391-L416 HydrophobicContact CB-CD2 4.15Å; M391-L416 HydrophobicContact CE-CD1 3.78Å; M391-L416 HydrophobicContact CG-CD1 3.84Å; M391-L416 HydrophobicContact CG-CD2 3.93Å
392	K	96.8	Very high	96.3	Very high	115 Å²	115	58.6 Å²	58.6	50%	0.5	29%	0.289	S	S	.	.	H	α-helix	trans	-60.8	-35.6	175.1	-73.9	178.3	-179.3	-170.3	0	113.3	R388 F390 F395 Y401 N417	R388-K392 WeakPolarHBondContact O-CB 3.44Å; R388-K392 WeakPolarHBondContact O-CG 3.34Å; R388-K392 PolarHBondContact O-N 3.16Å; F390-K392 PolarHBondContact O-N 3.43Å; K392-F395 CarbonylContact O-C 3.38Å; K392-Y401 WeakPolarHBondContact CG-OH 3.34Å; K392-N417 WeakPolarHBondContact CE-O 3.3Å
393	R	96.1	Very high	96.3	Very high	104 Å²	104	55.6 Å²	55.6	39%	0.392	29%	0.292	S	S	.	.	H	α-helix	trans	-75.8	-37.8	178.5	-166.7	170.8	-173	-176.1	-0.1	111.9	P310 W311 D331 T389 F390 M391	P310-R393 HydrophobicContact CB-CG 4.17Å; P310-R393 VanDerWaalsContact CB-CZ 3.44Å; P310-R393 VanDerWaalsContact CB-NE 3.3Å; W311-R393 WeakPolarHBondContact CA-O 3.45Å; W311-R393 WeakPolarHBondContact CB-O 3.48Å; D331-R393 IonicContact OD2-CZ 3.38Å; D331-R393 IonicContact OD2-NH2 3.28Å; D331-R393 PolarHBondContact OD2-NH2 2.78Å; T389-R393 WeakPolarHBondContact O-CB 3.33Å; T389-R393 PolarHBondContact O-N 3.32Å; F390-R393 PolarHBondContact O-N 3.5Å; M391-R393 VanDerWaalsContact C-N 3.3Å; M391-R393 PolarHBondContact O-N 2.76Å
394	M	96.9	Very high	96.2	Very high	25 Å²	25	57.2 Å²	57.2	12%	0.123	30%	0.298	C	S	.	.	H	α-helix	trans	-72.4	-37.9	178.5	-172.5	63	63.7	0	0	112.2	A279 V280 G312 F390 M391	A279-M394 HydrophobicContact CB-CE 4.06Å; V280-M394 HydrophobicContact CG2-CG 4.1Å; G312-M394 VanDerWaalsContact CA-SD 3.52Å; G312-M394 PolarHBondContact N-SD 3.05Å; G312-M394 VanDerWaalsContact N-SD 3.43Å; F390-M394 HydrophobicContact CE2-CE 3.89Å; F390-M394 HydrophobicContact CZ-CE 3.66Å; F390-M394 WeakPolarHBondContact O-CB 3.31Å; F390-M394 PolarHBondContact O-N 3.43Å; M391-M394 PolarHBondContact O-N 2.74Å
395	F	96.4	Very high	96.2	Very high	42 Å²	42	56.7 Å²	56.7	18%	0.184	30%	0.295	C	S	.	.	S	Bend	trans	-132.2	99.2	-175.6	-56.6	-72.4	0	0	0	108.7	V280 M391 K392 S397 Q400 Y401 P402	V280-F395 HydrophobicContact CG2-CE2 3.76Å; V280-F395 HydrophobicContact CG2-CZ 3.94Å; M391-F395 HydrophobicContact CE-CD2 3.89Å; M391-F395 HydrophobicContact CE-CE2 3.92Å; M391-F395 PolarHBondContact O-N 3.16Å; M391-F395 HydrophobicContact SD-CD2 4.41Å; M391-F395 HydrophobicContact SD-CE2 4.34Å; K392-F395 CarbonylContact O-C 3.38Å; F395-S397 PolarHBondContact O-N 2.81Å; F395-S397 VanDerWaalsContact O-N 3.09Å; F395-Q400 HydrophobicContact CB-CB 4.06Å; F395-Q400 HydrophobicContact CD1-CB 4.26Å; F395-Q400 WeakPolarHBondContact CD1-O 3.15Å; F395-Y401 HydrophobicContact CB-CD1 3.53Å; F395-Y401 HydrophobicContact CB-CE1 3.74Å; F395-Y401 HydrophobicContact CD2-CD1 4.02Å; F395-Y401 HydrophobicContact CG-CD1 4.08Å; F395-Y401 WeakPolarHBondContact O-CE1 3.46Å; F395-P402 HydrophobicContact CE1-CG 4.22Å; F395-P402 HydrophobicContact CE2-CG 3.95Å; F395-P402 HydrophobicContact CZ-CG 3.61Å
396	P	89.8	Confident	96.2	Very high	109 Å²	109	55 Å²	55	71%	0.708	29%	0.287	S	S	*	.	S	Bend	trans	-62.7	-17	-172	-28	36.1	0	0	0	116.1
397	S	90.8	Very high	96.2	Very high	34 Å²	34	57.3 Å²	57.3	24%	0.238	30%	0.301	C	S	.	.	S	Bend	trans	-127.8	145.1	173.5	99.4	0	0	0	0	111.8	F395 E399 Q400	F395-S397 PolarHBondContact O-N 2.81Å; F395-S397 VanDerWaalsContact O-N 3.09Å; S397-E399 WeakPolarHBondContact CB-OE2 2.84Å; S397-E399 PolarHBondContact O-N 2.93Å; S397-E399 PolarHBondContact OG-OE2 2.9Å; S397-Q400 WeakPolarHBondContact O-CB 3.14Å; S397-Q400 PolarHBondContact O-N 2.72Å
398	P	90.4	Very high	96.2	Very high	56 Å²	56	57.3 Å²	57.3	36%	0.364	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-57.9	-30.3	-179.2	-26.1	35.8	0	0	0	114.2	Q400 Y401	P398-Q400 PolarHBondContact O-N 3.4Å; P398-Q400 VanDerWaalsContact O-N 3.16Å; P398-Y401 HydrophobicContact CB-CD2 4.24Å; P398-Y401 HydrophobicContact CB-CE2 3.99Å; P398-Y401 HydrophobicContact CG-CE2 4.49Å; P398-Y401 WeakPolarHBondContact O-CB 3.3Å; P398-Y401 PolarHBondContact O-N 2.81Å
399	E	93	Very high	96.2	Very high	159 Å²	159	54 Å²	54	74%	0.743	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-66.4	-15.4	177.7	-54.1	75.8	-162.4	0	0	112.7	S397	S397-E399 WeakPolarHBondContact CB-OE2 2.84Å; S397-E399 PolarHBondContact O-N 2.93Å; S397-E399 PolarHBondContact OG-OE2 2.9Å
400	Q	95.1	Very high	96.2	Very high	109 Å²	109	51.3 Å²	51.3	51%	0.509	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-92.7	-6.7	176	-60.3	177.6	6.2	0	0	112.9	F395 S397 P398	F395-Q400 HydrophobicContact CB-CB 4.06Å; F395-Q400 HydrophobicContact CD1-CB 4.26Å; F395-Q400 WeakPolarHBondContact CD1-O 3.15Å; S397-Q400 WeakPolarHBondContact O-CB 3.14Å; S397-Q400 PolarHBondContact O-N 2.72Å; P398-Q400 PolarHBondContact O-N 3.4Å; P398-Q400 VanDerWaalsContact O-N 3.16Å
401	Y	97	Very high	96.2	Very high	23 Å²	23	53.7 Å²	53.7	9%	0.09	30%	0.296	C	S	.	.	S	Bend	trans	-63	129.9	176.5	-65.2	-17.7	0	0	0	110	M391 K392 F395 P398 G403 V406 L416	M391-Y401 HydrophobicContact CB-CE1 4.02Å; M391-Y401 HydrophobicContact CE-CD1 4.15Å; M391-Y401 HydrophobicContact CE-CG 4.3Å; K392-Y401 WeakPolarHBondContact CG-OH 3.34Å; F395-Y401 HydrophobicContact CB-CD1 3.53Å; F395-Y401 HydrophobicContact CB-CE1 3.74Å; F395-Y401 HydrophobicContact CD2-CD1 4.02Å; F395-Y401 HydrophobicContact CG-CD1 4.08Å; F395-Y401 WeakPolarHBondContact O-CE1 3.46Å; P398-Y401 HydrophobicContact CB-CD2 4.24Å; P398-Y401 HydrophobicContact CB-CE2 3.99Å; P398-Y401 HydrophobicContact CG-CE2 4.49Å; P398-Y401 WeakPolarHBondContact O-CB 3.3Å; P398-Y401 PolarHBondContact O-N 2.81Å; Y401-G403 PolarHBondContact O-N 3.31Å; Y401-V406 HydrophobicContact CD2-CG2 4.4Å; Y401-L416 HydrophobicContact CD2-CB 3.89Å; Y401-L416 HydrophobicContact CD2-CD1 3.98Å; Y401-L416 HydrophobicContact CE2-CB 3.72Å; Y401-L416 HydrophobicContact CE2-CD1 4.3Å; Y401-L416 HydrophobicContact CG-CD1 4.42Å
402	P	97.1	Very high	96.2	Very high	31 Å²	31	53.9 Å²	53.9	20%	0.201	30%	0.298	C	S	.	.			trans	-61.6	124.9	174.2	-20.6	31.7	0	0	0	110.2	F395 W404 A405 V406	F395-P402 HydrophobicContact CE1-CG 4.22Å; F395-P402 HydrophobicContact CE2-CG 3.95Å; F395-P402 HydrophobicContact CZ-CG 3.61Å; P402-W404 VanDerWaalsContact C-N 3.31Å; P402-W404 HydrophobicContact CB-CG 4.45Å; P402-W404 VanDerWaalsContact CB-NE1 3.34Å; P402-W404 PolarHBondContact O-N 3.3Å; P402-A405 HydrophobicContact CB-CB 4.2Å; P402-A405 WeakPolarHBondContact O-CB 3.49Å; P402-A405 PolarHBondContact O-N 2.75Å; P402-V406 PolarHBondContact O-N 3.04Å; P402-V406 VanDerWaalsContact O-N 3.16Å
403	G	97.7	Very high	96.3	Very high	45 Å²	45	53.9 Å²	53.9	46%	0.464	30%	0.303	S	S	.	.	H	α-helix	trans	-51.5	-47.5	-177.8	0	0	0	0	0	113.1	Y401 A405 V406 D407	Y401-G403 PolarHBondContact O-N 3.31Å; G403-A405 PolarHBondContact O-N 3.39Å; G403-A405 VanDerWaalsContact O-N 3.14Å; G403-V406 WeakPolarHBondContact O-CB 3.39Å; G403-V406 PolarHBondContact O-N 3.45Å; G403-D407 PolarHBondContact O-N 3.35Å
404	W	97.7	Very high	96.4	Very high	33 Å²	33	49 Å²	49	13%	0.125	29%	0.285	C	S	.	.	H	α-helix	trans	-55.3	-35.4	176.9	75	-96.5	0	0	0	113.5	K251 D252 W255 V280 D281 V284 P402 A408	K251-W404 HydrophobicContact CB-CB 3.8Å; K251-W404 VanDerWaalsContact CB-CD1 3.49Å; K251-W404 HydrophobicContact CB-CD2 3.68Å; K251-W404 HydrophobicContact CB-CE3 4.37Å; K251-W404 HydrophobicContact CB-CG 3.37Å; K251-W404 HydrophobicContact CD-CD2 4.33Å; K251-W404 HydrophobicContact CD-CZ2 4.2Å; K251-W404 HydrophobicContact CG-CD2 4.14Å; K251-W404 HydrophobicContact CG-CG 4.11Å; D252-W404 WeakPolarHBondContact OD1-CA 3.36Å; D252-W404 WeakPolarHBondContact OD1-CB 3.47Å; W255-W404 HydrophobicContact CB-CE3 4.45Å; V280-W404 HydrophobicContact CB-CZ2 4.48Å; V280-W404 HydrophobicContact CG1-CH2 3.93Å; V280-W404 HydrophobicContact CG1-CZ2 3.8Å; D281-W404 VanDerWaalsContact OD1-CH2 3.27Å; D281-W404 WeakPolarHBondContact OD1-CH2 3.27Å; D281-W404 WeakPolarHBondContact OD1-CZ2 3.2Å; V284-W404 HydrophobicContact CB-CH2 4.39Å; V284-W404 HydrophobicContact CB-CZ3 4.09Å; V284-W404 HydrophobicContact CG1-CZ3 3.95Å; V284-W404 HydrophobicContact CG2-CH2 4.13Å; V284-W404 HydrophobicContact CG2-CZ3 4.02Å; P402-W404 VanDerWaalsContact C-N 3.31Å; P402-W404 HydrophobicContact CB-CG 4.45Å; P402-W404 VanDerWaalsContact CB-NE1 3.34Å; P402-W404 PolarHBondContact O-N 3.3Å; W404-A408 WeakPolarHBondContact O-CB 3.36Å; W404-A408 PolarHBondContact O-N 2.64Å
405	A	98.1	Very high	96.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-76.3	-38.2	-178.9	0	0	0	0	0	110.5	V280 V284 M391 P402 G403 L409	V280-A405 HydrophobicContact CG1-CB 4.05Å; V284-A405 HydrophobicContact CG2-CB 4.12Å; M391-A405 HydrophobicContact CE-CB 4.26Å; P402-A405 HydrophobicContact CB-CB 4.2Å; P402-A405 WeakPolarHBondContact O-CB 3.49Å; P402-A405 PolarHBondContact O-N 2.75Å; G403-A405 PolarHBondContact O-N 3.39Å; G403-A405 VanDerWaalsContact O-N 3.14Å; A405-L409 WeakPolarHBondContact O-CB 3.49Å; A405-L409 WeakPolarHBondContact O-CD1 3Å; A405-L409 WeakPolarHBondContact O-CG 3.46Å; A405-L409 PolarHBondContact O-N 2.95Å
406	V	98.3	Very high	96.2	Very high	51 Å²	51	51.2 Å²	51.2	31%	0.309	30%	0.302	S	S	.	.	H	α-helix	trans	-60.2	-48.8	172.3	179.7	0	0	0	0	109.9	Y401 P402 G403 L409 G410 L416	Y401-V406 HydrophobicContact CD2-CG2 4.4Å; P402-V406 PolarHBondContact O-N 3.04Å; P402-V406 VanDerWaalsContact O-N 3.16Å; G403-V406 WeakPolarHBondContact O-CB 3.39Å; G403-V406 PolarHBondContact O-N 3.45Å; V406-L409 PolarHBondContact O-N 3.44Å; V406-G410 PolarHBondContact O-N 2.83Å; V406-L416 HydrophobicContact CG2-CD1 4.13Å
407	D	98.3	Very high	95.5	Very high	84 Å²	84	53 Å²	53	45%	0.449	31%	0.306	S	S	.	.	H	α-helix	trans	-64.1	-48.5	-178.7	-68.1	-16.1	0	0	0	111.5	W255 G403 L409 G410 T411	W255-D407 HydrophobicContact CZ2-CB 4.1Å; G403-D407 PolarHBondContact O-N 3.35Å; D407-L409 PolarHBondContact O-N 2.93Å; D407-G410 PolarHBondContact O-N 2.63Å; D407-T411 WeakPolarHBondContact O-CG2 3.19Å; D407-T411 PolarHBondContact O-N 3.44Å; D407-T411 VanDerWaalsContact O-N 3.13Å
408	A	98.5	Very high	95.7	Very high	0 Å²	0	54 Å²	54	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-58.4	-47.5	177.4	0	0	0	0	0	112	W255 V284 W404 G410 T411	W255-A408 HydrophobicContact CB-CB 3.97Å; W255-A408 HydrophobicContact CD2-CB 3.51Å; W255-A408 HydrophobicContact CE3-CB 3.75Å; W255-A408 HydrophobicContact CG-CB 3.6Å; W255-A408 HydrophobicContact CZ3-CB 4.47Å; V284-A408 HydrophobicContact CG1-CB 3.63Å; W404-A408 WeakPolarHBondContact O-CB 3.36Å; W404-A408 PolarHBondContact O-N 2.64Å; A408-G410 VanDerWaalsContact C-N 3.31Å; A408-G410 PolarHBondContact O-N 3.03Å; A408-T411 PolarHBondContact O-N 3.49Å; A408-T411 PolarHBondContact O-OG1 3.44Å
409	L	98.6	Very high	96	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-65.8	-34.7	178.1	-73.4	172.3	0	0	0	112.2	V284 A287 V387 A405 V406 D407 T411 V412 N413 I414 L416	V284-L409 HydrophobicContact CG2-CD1 4.31Å; V284-L409 HydrophobicContact CG2-CD2 4.35Å; V284-L409 HydrophobicContact CG2-CG 4.14Å; A287-L409 HydrophobicContact CB-CD2 3.83Å; V387-L409 HydrophobicContact CG1-CD1 3.64Å; V387-L409 HydrophobicContact CG1-CD2 3.86Å; V387-L409 HydrophobicContact CG1-CG 4.42Å; A405-L409 WeakPolarHBondContact O-CB 3.49Å; A405-L409 WeakPolarHBondContact O-CD1 3Å; A405-L409 WeakPolarHBondContact O-CG 3.46Å; A405-L409 PolarHBondContact O-N 2.95Å; V406-L409 PolarHBondContact O-N 3.44Å; D407-L409 PolarHBondContact O-N 2.93Å; L409-T411 VanDerWaalsContact C-N 3.29Å; L409-T411 PolarHBondContact O-N 2.83Å; L409-V412 CarbonylContact O-C 3.19Å; L409-V412 WeakPolarHBondContact O-CG2 3.27Å; L409-V412 PolarHBondContact O-N 3.28Å; L409-V412 VanDerWaalsContact O-N 3.12Å; L409-N413 PolarHBondContact O-N 3.19Å; L409-I414 CarbonylContact C-O 3.45Å; L409-I414 HydrophobicContact CB-CB 4.06Å; L409-I414 HydrophobicContact CB-CG2 4.32Å; L409-I414 HydrophobicContact CD2-CB 4.37Å; L409-I414 HydrophobicContact CD2-CD1 4.02Å; L409-I414 PolarHBondContact O-N 2.87Å; L409-L416 HydrophobicContact CD1-CD1 3.81Å; L409-L416 HydrophobicContact CD1-CD2 4.25Å; L409-L416 HydrophobicContact CD1-CG 4.21Å
410	G	98.3	Very high	96.2	Very high	40 Å²	40	48 Å²	48	41%	0.412	28%	0.282	S	S	.	.	H	α-helix	trans	-58.4	-38.6	172.6	0	0	0	0	0	112.6	V406 D407 A408 V412 N413	V406-G410 PolarHBondContact O-N 2.83Å; D407-G410 PolarHBondContact O-N 2.63Å; A408-G410 VanDerWaalsContact C-N 3.31Å; A408-G410 PolarHBondContact O-N 3.03Å; G410-V412 PolarHBondContact O-N 2.86Å; G410-N413 PolarHBondContact O-N 2.81Å; G410-N413 VanDerWaalsContact O-N 3.07Å
411	T	98.3	Very high	96.2	Very high	67 Å²	67	44.4 Å²	44.4	41%	0.411	27%	0.269	S	S	.	.	H	α-helix	trans	-65.3	-18.9	177.4	73.8	0	0	0	0	114.3	W255 D407 A408 L409	W255-T411 HydrophobicContact CH2-CG2 3.42Å; W255-T411 VanDerWaalsContact CH2-CG2 3.42Å; W255-T411 HydrophobicContact CZ3-CG2 3.46Å; W255-T411 VanDerWaalsContact CZ3-CG2 3.46Å; D407-T411 WeakPolarHBondContact O-CG2 3.19Å; D407-T411 PolarHBondContact O-N 3.44Å; D407-T411 VanDerWaalsContact O-N 3.13Å; A408-T411 PolarHBondContact O-N 3.49Å; A408-T411 PolarHBondContact O-OG1 3.44Å; L409-T411 VanDerWaalsContact C-N 3.29Å; L409-T411 PolarHBondContact O-N 2.83Å
412	V	98.1	Very high	96.2	Very high	4 Å²	4	45.8 Å²	45.8	2%	0.024	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	28.9	175.5	-65.7	0	0	0	0	111.7	T41 K42 A287 L288 L409 G410 I414	T41-V412 HydrophobicContact CG2-CB 4.23Å; T41-V412 HydrophobicContact CG2-CG2 4.15Å; T41-V412 WeakPolarHBondContact CG2-O 3.38Å; K42-V412 HydrophobicContact CD-CG1 4.24Å; K42-V412 HydrophobicContact CG-CG1 4.21Å; A287-V412 HydrophobicContact CB-CG2 4.01Å; L288-V412 HydrophobicContact CD2-CG1 3.83Å; L288-V412 HydrophobicContact CD2-CG2 4.4Å; L409-V412 CarbonylContact O-C 3.19Å; L409-V412 WeakPolarHBondContact O-CG2 3.27Å; L409-V412 PolarHBondContact O-N 3.28Å; L409-V412 VanDerWaalsContact O-N 3.12Å; G410-V412 PolarHBondContact O-N 2.86Å; V412-I414 VanDerWaalsContact C-N 3.29Å; V412-I414 PolarHBondContact O-N 3.15Å
413	N	98	Very high	96.1	Very high	115 Å²	115	46.7 Å²	46.7	62%	0.615	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	27.6	171	-50.3	-61.9	0	0	0	115.1	V40 L409 G410	V40-N413 HydrophobicContact CG1-CB 3.7Å; V40-N413 WeakPolarHBondContact CG1-O 3.27Å; V40-N413 PolarHBondContact O-ND2 3.14Å; L409-N413 PolarHBondContact O-N 3.19Å; G410-N413 PolarHBondContact O-N 2.81Å; G410-N413 VanDerWaalsContact O-N 3.07Å
414	I	97.9	Very high	96	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	27%	0.273	C	S	.	.			trans	-101.4	105.7	167.3	-64.6	176.9	0	0	0	108.8	T41 F383 P384 V387 L409 V412 L416	T41-I414 HydrophobicContact CG2-CD1 3.42Å; T41-I414 VanDerWaalsContact CG2-CD1 3.42Å; T41-I414 HydrophobicContact CG2-CG1 3.67Å; F383-I414 HydrophobicContact CE1-CD1 4.48Å; P384-I414 HydrophobicContact CB-CD1 4.31Å; P384-I414 HydrophobicContact CB-CG1 4.07Å; P384-I414 HydrophobicContact CG-CG1 4.42Å; V387-I414 HydrophobicContact CB-CD1 4.01Å; V387-I414 HydrophobicContact CB-CG2 4.44Å; V387-I414 HydrophobicContact CG1-CD1 4.23Å; V387-I414 HydrophobicContact CG1-CG2 4.12Å; V387-I414 HydrophobicContact CG2-CD1 3.83Å; L409-I414 CarbonylContact C-O 3.45Å; L409-I414 HydrophobicContact CB-CB 4.06Å; L409-I414 HydrophobicContact CB-CG2 4.32Å; L409-I414 HydrophobicContact CD2-CB 4.37Å; L409-I414 HydrophobicContact CD2-CD1 4.02Å; L409-I414 PolarHBondContact O-N 2.87Å; V412-I414 VanDerWaalsContact C-N 3.29Å; V412-I414 PolarHBondContact O-N 3.15Å; I414-L416 HydrophobicContact CG2-CD2 4.03Å
415	T	95.9	Very high	95.9	Very high	92 Å²	92	47.9 Å²	47.9	56%	0.564	28%	0.284	S	S	*	.			trans	-84.6	128.8	168	-44.9	0	0	0	0	109.9	N417	T415-N417 WeakPolarHBondContact CG2-OD1 3.45Å
416	L	93.1	Very high	95.7	Very high	22 Å²	22	51.9 Å²	51.9	12%	0.115	31%	0.308	C	S	.	.			trans	-96	111.6	171.2	-59.7	-178.6	0	0	0	108	V387 R388 M391 Y401 V406 L409 I414	V387-L416 HydrophobicContact CG1-CD2 4.46Å; R388-L416 HydrophobicContact CG-CD2 4.07Å; M391-L416 HydrophobicContact CB-CD1 4.25Å; M391-L416 HydrophobicContact CB-CD2 4.15Å; M391-L416 HydrophobicContact CE-CD1 3.78Å; M391-L416 HydrophobicContact CG-CD1 3.84Å; M391-L416 HydrophobicContact CG-CD2 3.93Å; Y401-L416 HydrophobicContact CD2-CB 3.89Å; Y401-L416 HydrophobicContact CD2-CD1 3.98Å; Y401-L416 HydrophobicContact CE2-CB 3.72Å; Y401-L416 HydrophobicContact CE2-CD1 4.3Å; Y401-L416 HydrophobicContact CG-CD1 4.42Å; V406-L416 HydrophobicContact CG2-CD1 4.13Å; L409-L416 HydrophobicContact CD1-CD1 3.81Å; L409-L416 HydrophobicContact CD1-CD2 4.25Å; L409-L416 HydrophobicContact CD1-CG 4.21Å; I414-L416 HydrophobicContact CG2-CD2 4.03Å
417	N	75.3	Confident	95.5	Very high	147 Å²	147	52 Å²	52	79%	0.786	31%	0.308	S	S	*	.			trans	-95.5	0	174.3	-62.7	-9.1	0	0	0	111.4	K392 T415	K392-N417 WeakPolarHBondContact CE-O 3.3Å; T415-N417 WeakPolarHBondContact CG2-OD1 3.45Å

Retrieved 417 of 417 residues in 2581.8 ms (Link to these results)

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