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Bis(monoacylglycero)phosphate synthase CLN5

Catalyzes the synthesis of bis(monoacylglycero)phosphate (BMP) via transacylation of 2 molecules of lysophosphatidylglycerol (LPG). BMP also known as lysobisphosphatidic acid plays a key role in the formation of intraluminal vesicles and in maintaining intracellular cholesterol homeostasis. Can use only LPG as the exclusive lysophospholipid acyl donor for base exchange and displays BMP synthase activity towards various LPGs (LPG 14:0, LPG 16:0, LPG 18:0, LPG 18:1) with a higher preference for longer chain lengths. Plays a role in influencing the retrograde trafficking of lysosomal sorting receptors SORT1 and IGF2R from the endosomes to the trans-Golgi network by controlling the recruitment of retromer complex to the endosomal membrane. Regulates the localization and activation of RAB7A which is required to recruit the retromer complex to the endosomal membrane. Exhibits palmitoyl protein thioesterase (S-depalmitoylation) activity in vitro and most likely plays a role in protein S-depalmitoylation.

AlphaFold DB , UniProt , Accession A0A2K6DZ72, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene CLN5, Length 358 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.9	Very low	33.5	Very low	247 Å²	247	138.1 Å²	138.1	100%	1.217	84%	0.835	S	S	*	*				0	109.9	0	-79.9	171.8	-167.6	0	0	107.2
2	A	37.9	Very low	33.3	Very low	92 Å²	92	144.7 Å²	144.7	76%	0.76	84%	0.844	S	S	*	*			trans	-68.6	161.8	153.3	0	0	0	0	0	107.7
3	P	44.6	Very low	33	Very low	125 Å²	125	147.5 Å²	147.5	81%	0.812	85%	0.848	S	S	*	*				-143.9	160	71.1	32.9	-12.2	0	0	0	116.4
4	E	32.6	Very low	32.8	Very low	178 Å²	178	153.1 Å²	153.1	83%	0.832	85%	0.848	S	S	*	*			trans	-65.9	160.7	156.6	-68.5	170	125.4	0	0	111.9
5	L	30.9	Very low	32.6	Very low	158 Å²	158	158.7 Å²	158.7	83%	0.827	85%	0.851	S	S	*	*			trans	-170.4	116.2	132.9	-116.5	105.9	0	0	0	107.7
6	D	33.5	Very low	32.3	Very low	134 Å²	134	154.1 Å²	154.1	72%	0.717	85%	0.852	S	S	*	*				68.7	130.9	102.9	-103.3	-20.7	0	0	0	114.4
7	T	31.7	Very low	32.3	Very low	121 Å²	121	151.6 Å²	151.6	74%	0.742	86%	0.857	S	S	*	*				-177.7	150.9	55.7	2.2	0	0	0	0	112.4
8	A	31.7	Very low	32.1	Very low	76 Å²	76	147.9 Å²	147.9	63%	0.628	86%	0.858	S	S	*	*			trans	56	118.1	133.1	0	0	0	0	0	121.2
9	Q	29.8	Very low	32	Very low	201 Å²	201	145.6 Å²	145.6	94%	0.939	86%	0.858	S	S	*	*				107.8	136.5	75.2	-89.8	-174.1	-13.6	0	0	111.3
10	G	27.4	Very low	32	Very low	80 Å²	80	142.9 Å²	142.9	83%	0.825	85%	0.853	S	S	*	*			trans	163.8	78.5	165.6	0	0	0	0	0	115.4
11	A	30.7	Very low	32	Very low	107 Å²	107	148.3 Å²	148.3	88%	0.884	86%	0.858	S	S	*	*			trans	-72.2	144.7	171.9	0	0	0	0	0	112.6
12	K	30.6	Very low	31.6	Very low	217 Å²	217	140.1 Å²	140.1	94%	0.943	84%	0.838	S	S	*	*			trans	-148.2	119	155.2	-141.8	173.8	-172.2	175.9	0	111.2
13	M	29	Very low	31.3	Very low	182 Å²	182	147.9 Å²	147.9	90%	0.897	85%	0.847	S	S	*	*			trans	-107.3	138.7	175.7	-165.6	-168.6	-158.8	0	0	108.7
14	R	30.7	Very low	30.8	Very low	225 Å²	225	146.6 Å²	146.6	85%	0.849	85%	0.847	S	S	*	*			trans	177.7	111.9	146.8	-101.8	173.7	-174.4	-154.7	2.8	109
15	R	29.7	Very low	30.7	Very low	238 Å²	238	143.2 Å²	143.2	90%	0.898	84%	0.843	S	S	*	*				82.1	118.2	96.4	-84.2	-167.4	-174	-166.4	1.9	114.2
16	G	28.3	Very low	30.6	Very low	84 Å²	84	147.8 Å²	147.8	87%	0.866	85%	0.85	S	S	*	*			trans	-170	100.7	158.7	0	0	0	0	0	109.3
17	A	31.3	Very low	30.8	Very low	113 Å²	113	147.2 Å²	147.2	93%	0.934	86%	0.855	S	S	*	*			trans	-96.4	141.7	174.1	0	0	0	0	0	109.5
18	G	28.7	Very low	31.2	Very low	84 Å²	84	147.4 Å²	147.4	87%	0.866	86%	0.858	S	S	*	*			trans	-157	111.1	170.3	0	0	0	0	0	109.6
19	A	31.2	Very low	31.4	Very low	105 Å²	105	148.3 Å²	148.3	87%	0.868	87%	0.865	S	S	*	*			trans	-92	148	178.7	0	0	0	0	0	111.1
20	A	32.7	Very low	31.5	Very low	91 Å²	91	144.7 Å²	144.7	75%	0.752	86%	0.856	S	S	*	*				159.2	131.9	112.3	0	0	0	0	0	114.7
21	R	30.6	Very low	32.1	Very low	256 Å²	256	145.3 Å²	145.3	97%	0.966	85%	0.854	S	S	*	*			trans	63.6	117.6	139.6	-77.8	180	169.4	179.7	-2.8	121.3
22	G	30.2	Very low	32.2	Very low	76 Å²	76	146.7 Å²	146.7	78%	0.784	85%	0.846	S	S	*	*			trans	-167.8	76.7	157.1	0	0	0	0	0	114.4
23	R	31.6	Very low	32.4	Very low	255 Å²	255	143.9 Å²	143.9	96%	0.962	84%	0.84	S	S	*	*			trans	52.3	127.8	153	-69.1	-178.8	-176.1	-142.8	-0.2	121.8
24	A	33.4	Very low	32.5	Very low	98 Å²	98	146 Å²	146	81%	0.81	84%	0.838	S	S	*	*			trans	-82	152.8	168.1	0	0	0	0	0	113
25	S	31.1	Very low	32.9	Very low	107 Å²	107	143.1 Å²	143.1	75%	0.748	84%	0.839	S	S	*	*			trans	-154.9	102	140	65.3	0	0	0	0	112.5
26	W	29.2	Very low	33.1	Very low	254 Å²	254	136.1 Å²	136.1	96%	0.962	83%	0.832	S	S	*	*			trans	71	105.4	132.4	-64.4	25.5	0	0	0	120.3
27	C	37.7	Very low	33.4	Very low	122 Å²	122	136.6 Å²	136.6	82%	0.824	83%	0.827	S	S	*	*			trans	-71.8	169.7	144.9	-66.8	0	0	0	0	110.1
28	P	39.4	Very low	33.6	Very low	125 Å²	125	137.2 Å²	137.2	81%	0.812	82%	0.819	S	S	*	*			cis	-148.6	-173.8	30.8	39.2	-14.8	0	0	0	117.3
29	A	35.6	Very low	34	Very low	94 Å²	94	138.4 Å²	138.4	78%	0.777	81%	0.812	S	S	*	*			trans	-52.2	147.2	-179.7	0	0	0	0	0	117
30	V	32.8	Very low	33.9	Very low	125 Å²	125	136.5 Å²	136.5	76%	0.758	80%	0.803	S	S	*	*			trans	-136.2	111.3	147.3	179.2	0	0	0	0	107.9	L32	V30-L32 HydrophobicContact CG1-CD1 4.1Å; V30-L32 HydrophobicContact CG1-CG 4.46Å
31	A	39	Very low	33.7	Very low	93 Å²	93	143.8 Å²	143.8	77%	0.769	81%	0.811	S	S	*	*			trans	-74.4	129.4	161.3	0	0	0	0	0	108.5
32	L	32.8	Very low	33.8	Very low	136 Å²	136	137.2 Å²	137.2	71%	0.712	80%	0.801	S	S	*	*			trans	-145.4	102.5	160.1	-100.1	159	0	0	0	108.2	V30 W34	V30-L32 HydrophobicContact CG1-CD1 4.1Å; V30-L32 HydrophobicContact CG1-CG 4.46Å; L32-W34 PolarHBondContact O-N 2.59Å
33	L	35.9	Very low	34.1	Very low	158 Å²	158	144.5 Å²	144.5	83%	0.827	81%	0.805	S	S	*	*			trans	-57.1	120.5	161.4	-90.2	125.3	0	0	0	109.3
34	W	31.3	Very low	34.3	Very low	228 Å²	228	137.1 Å²	137.1	86%	0.864	80%	0.798	S	S	*	*			trans	-137.1	116.7	151.7	-80.7	91.4	0	0	0	109.5	L32 A36	L32-W34 PolarHBondContact O-N 2.59Å; W34-A36 PolarHBondContact O-N 2.83Å
35	L	37.9	Very low	34.6	Very low	164 Å²	164	137.3 Å²	137.3	86%	0.859	79%	0.794	S	S	*	*			trans	-58.5	112	169.6	-75.7	133.7	0	0	0	109.7
36	A	34.9	Very low	34.8	Very low	91 Å²	91	135.1 Å²	135.1	75%	0.752	79%	0.788	S	S	*	*			trans	-102.3	93.2	155.3	0	0	0	0	0	107.2	W34 V38	W34-A36 PolarHBondContact O-N 2.83Å; A36-V38 VanDerWaalsContact C-N 3.32Å; A36-V38 PolarHBondContact O-N 2.8Å
37	A	33.9	Very low	35	Very low	93 Å²	93	128.9 Å²	128.9	77%	0.769	78%	0.778	S	S	*	*			trans	-60.8	97.3	163.6	0	0	0	0	0	107.9	P39	A37-P39 WeakPolarHBondContact O-CD 3.27Å
38	V	36.3	Very low	35.2	Very low	126 Å²	126	131.3 Å²	131.3	76%	0.764	78%	0.782	S	S	*	*			trans	-67.2	120.8	161.1	-172.2	0	0	0	0	105.1	A36 G40	A36-V38 VanDerWaalsContact C-N 3.32Å; A36-V38 PolarHBondContact O-N 2.8Å; V38-G40 VanDerWaalsContact C-N 3.28Å; V38-G40 PolarHBondContact O-N 2.98Å
39	P	36.1	Very low	35.4	Very low	110 Å²	110	129.3 Å²	129.3	71%	0.714	77%	0.771	S	S	*	*			trans	-65.7	100.6	173.4	26.7	-28.9	0	0	0	106	A37 W41	A37-P39 WeakPolarHBondContact O-CD 3.27Å; P39-W41 PolarHBondContact O-N 3.25Å
40	G	29.3	Very low	36.4	Very low	65 Å²	65	135.3 Å²	135.3	67%	0.67	77%	0.773	S	S	*	*			trans	-52.5	114.7	168	0	0	0	0	0	106.5	V38	V38-G40 VanDerWaalsContact C-N 3.28Å; V38-G40 PolarHBondContact O-N 2.98Å
41	W	29.3	Very low	38.3	Very low	244 Å²	244	135.1 Å²	135.1	92%	0.924	76%	0.759	S	S	*	*			trans	-49.4	128.8	163.8	-77.6	-23.1	0	0	0	106.9	P39 R43	P39-W41 PolarHBondContact O-N 3.25Å; W41-R43 PolarHBondContact O-N 3.03Å
42	P	32.5	Very low	40.6	Very low	118 Å²	118	138.2 Å²	138.2	77%	0.766	76%	0.757	S	S	*	*			trans	-57.6	116.8	177.6	23.2	-29.7	0	0	0	105.5	A44	P42-A44 PolarHBondContact O-N 3.24Å
43	R	36.6	Very low	43.6	Very low	229 Å²	229	134 Å²	134	86%	0.864	73%	0.732	S	S	*	*			trans	-48.7	106.8	150	-90.1	-178.7	175	172.8	-1.4	103.1	W41 S45	W41-R43 PolarHBondContact O-N 3.03Å; R43-S45 PolarHBondContact O-N 3.25Å; R43-S45 PolarHBondContact O-OG 3.15Å; R43-S45 VanDerWaalsContact O-OG 3.14Å
44	A	35.4	Very low	46.5	Very low	99 Å²	99	129 Å²	129	82%	0.818	71%	0.709	S	S	*	*			trans	-59.9	84	163.4	0	0	0	0	0	104.5	P42 G46	P42-A44 PolarHBondContact O-N 3.24Å; A44-G46 PolarHBondContact O-N 2.69Å
45	S	39.9	Very low	49.6	Very low	103 Å²	103	119.1 Å²	119.1	72%	0.72	67%	0.673	S	S	*	*			trans	-72.1	63.4	160.3	-44.7	0	0	0	0	103	R43 V47	R43-S45 PolarHBondContact O-N 3.25Å; R43-S45 PolarHBondContact O-OG 3.15Å; R43-S45 VanDerWaalsContact O-OG 3.14Å; S45-V47 VanDerWaalsContact C-N 3.31Å; S45-V47 PolarHBondContact O-N 3.13Å
46	G	34.4	Very low	52.5	Low	61 Å²	61	116 Å²	116	63%	0.629	66%	0.663	S	S	*	*			trans	-57	110.8	161.6	0	0	0	0	0	103	A44 L48	A44-G46 PolarHBondContact O-N 2.69Å; G46-L48 PolarHBondContact O-N 3.29Å
47	V	34.4	Very low	55.5	Low	122 Å²	122	113.5 Å²	113.5	74%	0.739	63%	0.634	S	S	*	*			trans	-31.4	109.2	176.2	-179.2	0	0	0	0	107.5	S45 S49	S45-V47 VanDerWaalsContact C-N 3.31Å; S45-V47 PolarHBondContact O-N 3.13Å; V47-S49 PolarHBondContact O-N 3.06Å
48	L	40.7	Very low	58.5	Low	173 Å²	173	114 Å²	114	91%	0.906	62%	0.619	S	S	*	*			trans	-63.5	77.7	157.8	-94.1	153.6	0	0	0	103.8	G46 R50	G46-L48 PolarHBondContact O-N 3.29Å; L48-R50 PolarHBondContact O-N 3.05Å
49	S	45	Very low	61.5	Low	84 Å²	84	113.1 Å²	113.1	59%	0.587	60%	0.602	S	S	*	*			trans	-55.5	105.4	162.1	-75	0	0	0	0	102.5	V47 R51	V47-S49 PolarHBondContact O-N 3.06Å; S49-R51 VanDerWaalsContact C-N 3.34Å; S49-R51 PolarHBondContact O-N 2.94Å
50	R	56.6	Low	64.4	Low	219 Å²	219	110.4 Å²	110.4	83%	0.826	58%	0.579	S	S	*	*			trans	-49.1	105.7	179.9	-154.7	177	-173.2	-173.6	0.6	105	L48 H52	L48-R50 PolarHBondContact O-N 3.05Å; R50-H52 PolarHBondContact O-CE1 2.8Å; R50-H52 PolarHBondContact O-N 3.31Å; R50-H52 PolarHBondContact O-ND1 3.38Å
51	R	70.9	Confident	67.6	Low	121 Å²	121	115.4 Å²	115.4	46%	0.457	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-65.8	124.2	-176.6	-74.5	178.2	177.5	-162.4	-7.4	105.4	S49	S49-R51 VanDerWaalsContact C-N 3.34Å; S49-R51 PolarHBondContact O-N 2.94Å
52	H	88.4	Confident	70.8	Confident	158 Å²	158	107.3 Å²	107.3	73%	0.731	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-83.5	127.9	177.4	-67	74.3	0	0	0	106.6	R50 P54	R50-H52 PolarHBondContact O-CE1 2.8Å; R50-H52 PolarHBondContact O-N 3.31Å; R50-H52 PolarHBondContact O-ND1 3.38Å; H52-P54 CarbonylContact O-C 3.56Å
53	W	94.9	Very high	73.9	Confident	49 Å²	49	104 Å²	104	19%	0.186	54%	0.544	C	S	.	.	S	Bend	trans	-95.5	142.9	175.5	-58.5	116.8	0	0	0	109.3	V55 E223 W225 E265 P266 W330	W53-V55 HydrophobicContact CE3-CG2 3.86Å; W53-V55 HydrophobicContact CZ3-CG2 3.54Å; W53-E223 HydrophobicContact CB-CG 4.11Å; W53-E223 HydrophobicContact CG-CG 4.5Å; W53-W225 HydrophobicContact CB-CE3 4.31Å; W53-W225 AromaticContact CD1-CZ3 3.58Å; W53-W225 AromaticContact CD2-CE3 3.44Å; W53-W225 HydrophobicContact CD2-CE3 3.44Å; W53-W225 VanDerWaalsContact CD2-CE3 3.44Å; W53-W225 AromaticContact CD2-CZ3 3.78Å; W53-W225 HydrophobicContact CD2-CZ3 3.78Å; W53-W225 AromaticContact CE2-CE3 3.67Å; W53-W225 AromaticContact CE2-CZ3 3.64Å; W53-W225 HydrophobicContact CE3-CB 4.37Å; W53-W225 AromaticContact CE3-CE3 3.74Å; W53-W225 HydrophobicContact CE3-CE3 3.74Å; W53-W225 AromaticContact CG-CE3 3.69Å; W53-W225 HydrophobicContact CG-CE3 3.69Å; W53-W225 AromaticContact CG-CZ3 3.75Å; W53-W225 HydrophobicContact CG-CZ3 3.75Å; W53-W225 HydrophobicContact CH2-CE3 4.41Å; W53-W225 HydrophobicContact CZ2-CE3 4.17Å; W53-W225 HydrophobicContact CZ2-CZ3 4.28Å; W53-W225 HydrophobicContact CZ3-CB 4.41Å; W53-W225 HydrophobicContact CZ3-CE3 4.2Å; W53-W225 AromaticContact NE1-CE3 3.99Å; W53-W225 AromaticContact NE1-CZ3 3.5Å; W53-E265 HydrophobicContact CH2-CG 4.34Å; W53-E265 HydrophobicContact CZ2-CG 3.56Å; W53-E265 WeakPolarHBondContact CZ2-OE1 3.31Å; W53-P266 HydrophobicContact CH2-CB 4.32Å; W53-P266 HydrophobicContact CH2-CG 4.24Å; W53-P266 HydrophobicContact CZ3-CG 4.33Å; W53-W330 HydrophobicContact CH2-CZ3 4.29Å
54	P	96.8	Very high	76.8	Confident	53 Å²	53	96.3 Å²	96.3	34%	0.344	52%	0.524	S	S	.	.	S	Bend	cis	-71.5	160	-6.4	31.2	-35.4	0	0	0	112.8	H52 P56 T224 W225 D227	H52-P54 CarbonylContact O-C 3.56Å; P54-P56 WeakPolarHBondContact O-CD 3.15Å; P54-T224 WeakPolarHBondContact CA-O 3.26Å; P54-T224 HydrophobicContact CB-CG2 4.21Å; P54-T224 WeakPolarHBondContact CB-O 3.38Å; P54-W225 WeakPolarHBondContact CA-O 3.35Å; P54-D227 WeakPolarHBondContact CG-OD2 3.16Å
55	V	97.9	Very high	79.7	Confident	19 Å²	19	101.1 Å²	101.1	12%	0.115	53%	0.526	C	S	.	.	P	Polyproline II helix	trans	-65.8	122.3	170.3	176.6	0	0	0	0	108.2	W53 W225 F226 Y325 W330	W53-V55 HydrophobicContact CE3-CG2 3.86Å; W53-V55 HydrophobicContact CZ3-CG2 3.54Å; V55-W225 PolarHBondContact N-O 2.96Å; V55-F226 HydrophobicContact CB-CD1 3.77Å; V55-F226 HydrophobicContact CB-CE1 3.52Å; V55-F226 HydrophobicContact CB-CZ 4.43Å; V55-F226 HydrophobicContact CG1-CD1 4.43Å; V55-F226 HydrophobicContact CG1-CE1 3.99Å; V55-F226 HydrophobicContact CG2-CD1 4.2Å; V55-F226 HydrophobicContact CG2-CE1 3.57Å; V55-F226 HydrophobicContact CG2-CZ 4.01Å; V55-Y325 HydrophobicContact CG1-CD1 4.35Å; V55-Y325 HydrophobicContact CG1-CE1 4.33Å; V55-W330 HydrophobicContact CG2-CH2 4.01Å; V55-W330 HydrophobicContact CG2-CZ2 4.36Å
56	P	97.4	Very high	82.5	Confident	99 Å²	99	98.9 Å²	98.9	64%	0.643	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-68.9	142.1	-176.5	27.3	-34.3	0	0	0	111.2	P54 K58 N326	P54-P56 WeakPolarHBondContact O-CD 3.15Å; P56-K58 PolarHBondContact O-N 2.83Å; P56-N326 PolarHBondContact O-ND2 2.76Å
57	Y	98.1	Very high	85.5	Confident	38 Å²	38	99.3 Å²	99.3	15%	0.149	50%	0.497	C	S	.	.	P	Polyproline II helix	trans	-61.1	123.7	171	178.1	-83.9	0	0	0	110.4	R59 I207 Y208 Y229	Y57-R59 HydrophobicContact CD1-CG 4.13Å; Y57-R59 HydrophobicContact CE1-CG 4.16Å; Y57-I207 PolarHBondContact OH-N 2.99Å; Y57-Y208 AromaticContact CD2-CE1 3.85Å; Y57-Y208 HydrophobicContact CD2-CE1 3.85Å; Y57-Y208 HydrophobicContact CD2-CE2 4.29Å; Y57-Y208 AromaticContact CD2-CZ 3.59Å; Y57-Y208 WeakPolarHBondContact CD2-OH 3.32Å; Y57-Y208 HydrophobicContact CE1-CE1 4.16Å; Y57-Y208 AromaticContact CE2-CD1 3.64Å; Y57-Y208 HydrophobicContact CE2-CD1 3.64Å; Y57-Y208 HydrophobicContact CE2-CD2 4.13Å; Y57-Y208 AromaticContact CE2-CE1 3.13Å; Y57-Y208 HydrophobicContact CE2-CE1 3.13Å; Y57-Y208 AromaticContact CE2-CE2 3.7Å; Y57-Y208 HydrophobicContact CE2-CE2 3.7Å; Y57-Y208 HydrophobicContact CE2-CG 4.1Å; Y57-Y208 AromaticContact CE2-CZ 3.17Å; Y57-Y208 AromaticContact CZ-CD1 3.53Å; Y57-Y208 AromaticContact CZ-CE1 3.31Å; Y57-Y208 AromaticContact CZ-CZ 3.89Å; Y57-Y208 WeakPolarHBondContact OH-CD1 3.44Å; Y57-Y208 WeakPolarHBondContact OH-CE1 3.45Å; Y57-Y208 PolarHBondContact OH-N 2.72Å; Y57-Y208 VanDerWaalsContact OH-N 3.13Å; Y57-Y208 PolarHBondContact OH-O 2.92Å; Y57-Y208 VanDerWaalsContact OH-O 3.07Å; Y57-Y229 AromaticContact CD1-CD2 3.92Å; Y57-Y229 HydrophobicContact CD1-CD2 3.92Å; Y57-Y229 AromaticContact CD1-CE2 3.78Å; Y57-Y229 HydrophobicContact CD1-CE2 3.78Å; Y57-Y229 HydrophobicContact CD2-CD1 4.38Å; Y57-Y229 AromaticContact CD2-CD2 3.49Å; Y57-Y229 HydrophobicContact CD2-CD2 3.49Å; Y57-Y229 VanDerWaalsContact CD2-CD2 3.49Å; Y57-Y229 HydrophobicContact CD2-CE2 4.19Å; Y57-Y229 AromaticContact CD2-CG 3.58Å; Y57-Y229 HydrophobicContact CD2-CG 3.58Å; Y57-Y229 HydrophobicContact CE1-CD2 4.08Å; Y57-Y229 HydrophobicContact CE1-CE1 4.29Å; Y57-Y229 AromaticContact CE1-CE2 3.81Å; Y57-Y229 HydrophobicContact CE1-CE2 3.81Å; Y57-Y229 HydrophobicContact CE1-CG 4.41Å; Y57-Y229 AromaticContact CE1-CZ 3.91Å; Y57-Y229 AromaticContact CE2-CD1 3.68Å; Y57-Y229 HydrophobicContact CE2-CD1 3.68Å; Y57-Y229 AromaticContact CE2-CD2 3.62Å; Y57-Y229 HydrophobicContact CE2-CD2 3.62Å; Y57-Y229 HydrophobicContact CE2-CE1 4.24Å; Y57-Y229 HydrophobicContact CE2-CE2 4.18Å; Y57-Y229 AromaticContact CE2-CG 3.32Å; Y57-Y229 HydrophobicContact CE2-CG 3.32Å; Y57-Y229 AromaticContact CG-CD2 3.63Å; Y57-Y229 HydrophobicContact CG-CD2 3.63Å; Y57-Y229 AromaticContact CG-CE2 3.99Å; Y57-Y229 HydrophobicContact CG-CE2 3.99Å; Y57-Y229 HydrophobicContact CG-CG 4.21Å; Y57-Y229 AromaticContact CZ-CD1 3.78Å; Y57-Y229 AromaticContact CZ-CD2 3.94Å; Y57-Y229 AromaticContact CZ-CE1 3.87Å; Y57-Y229 AromaticContact CZ-CG 3.8Å; Y57-Y229 AromaticContact CZ-CZ 3.96Å
58	K	97.7	Very high	88.5	Confident	103 Å²	103	98.6 Å²	98.6	45%	0.448	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-78.9	122.2	179.3	-178.8	178.2	178.4	-179.6	0	110.4	P56 F60 N326	P56-K58 PolarHBondContact O-N 2.83Å; K58-F60 HydrophobicContact CD-CZ 4.28Å; K58-F60 HydrophobicContact CG-CE2 4.34Å; K58-F60 HydrophobicContact CG-CZ 4.44Å; K58-F60 WeakPolarHBondContact O-CE2 3.28Å; K58-N326 HydrophobicContact CB-CB 3.94Å; K58-N326 VanDerWaalsContact CB-CG 3.43Å; K58-N326 WeakPolarHBondContact CB-OD1 3.27Å; K58-N326 HydrophobicContact CD-CB 4.49Å; K58-N326 PolarHBondContact N-OD1 3.28Å
59	R	97.9	Very high	91.2	Very high	108 Å²	108	95 Å²	95	41%	0.408	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-91.5	162	170.6	-69.4	-176.1	176.6	-109	-3.1	111.8	Y57 D202 T205	Y57-R59 HydrophobicContact CD1-CG 4.13Å; Y57-R59 HydrophobicContact CE1-CG 4.16Å; R59-D202 IonicContact CZ-OD1 3.09Å; R59-D202 IonicContact NH1-OD1 3.12Å; R59-D202 PolarHBondContact NH1-OD1 3.48Å; R59-D202 IonicContact NH2-OD1 3.27Å; R59-D202 PolarHBondContact NH2-OD1 3.4Å; R59-T205 VanDerWaalsContact CA-O 3.31Å; R59-T205 WeakPolarHBondContact CA-O 3.31Å; R59-T205 PolarHBondContact NH1-OG1 3.39Å
60	F	97.8	Very high	93.7	Very high	53 Å²	53	91.8 Å²	91.8	23%	0.232	45%	0.447	C	S	.	.			trans	-122.6	161	-178.5	-66.6	-98.8	0	0	0	110.6	K58 S62 T205 I207 Y208 F327	K58-F60 HydrophobicContact CD-CZ 4.28Å; K58-F60 HydrophobicContact CG-CE2 4.34Å; K58-F60 HydrophobicContact CG-CZ 4.44Å; K58-F60 WeakPolarHBondContact O-CE2 3.28Å; F60-S62 VanDerWaalsContact C-N 3.29Å; F60-T205 PolarHBondContact N-O 3.28Å; F60-T205 VanDerWaalsContact O-CA 3.26Å; F60-T205 WeakPolarHBondContact O-CA 3.46Å; F60-T205 VanDerWaalsContact O-CB 3.26Å; F60-T205 WeakPolarHBondContact O-CB 3.48Å; F60-T205 WeakPolarHBondContact O-CG2 3.32Å; F60-I207 HydrophobicContact CB-CD1 3.98Å; F60-I207 HydrophobicContact CB-CG1 4.46Å; F60-I207 HydrophobicContact CD1-CD1 4Å; F60-I207 HydrophobicContact CD2-CD1 3.48Å; F60-I207 VanDerWaalsContact CD2-CD1 3.48Å; F60-I207 HydrophobicContact CD2-CG1 3.53Å; F60-I207 HydrophobicContact CE1-CD1 4.41Å; F60-I207 HydrophobicContact CE2-CD1 3.95Å; F60-I207 HydrophobicContact CE2-CG1 4.01Å; F60-I207 HydrophobicContact CG-CD1 3.52Å; F60-I207 HydrophobicContact CG-CG1 4.06Å; F60-I207 HydrophobicContact CZ-CD1 4.4Å; F60-Y208 HydrophobicContact CE2-CD1 4.32Å; F60-Y208 HydrophobicContact CE2-CE1 4.45Å; F60-F327 HydrophobicContact CE1-CD2 4.44Å; F60-F327 HydrophobicContact CE1-CE2 4.27Å; F60-F327 HydrophobicContact CE2-CD2 4.06Å; F60-F327 AromaticContact CE2-CE2 3.55Å; F60-F327 HydrophobicContact CE2-CE2 3.55Å; F60-F327 AromaticContact CZ-CD2 3.45Å; F60-F327 HydrophobicContact CZ-CD2 3.45Å; F60-F327 VanDerWaalsContact CZ-CD2 3.45Å; F60-F327 AromaticContact CZ-CE2 3.27Å; F60-F327 HydrophobicContact CZ-CE2 3.27Å; F60-F327 HydrophobicContact CZ-CZ 4.24Å
61	D	96.7	Very high	95.6	Very high	170 Å²	170	88.8 Å²	88.8	91%	0.909	44%	0.443	S	S	*	.	S	Bend	trans	-73.1	-24.8	177.9	-59.7	-32.7	0	0	0	112.4
62	S	95.7	Very high	96.7	Very high	75 Å²	75	84.8 Å²	84.8	52%	0.524	44%	0.435	S	S	.	.	S	Bend	trans	-160.9	161.2	179.1	59.4	0	0	0	0	112.3	F60 E204	F60-S62 VanDerWaalsContact C-N 3.29Å; S62-E204 CarbonylContact C-O 3.56Å; S62-E204 WeakPolarHBondContact CA-O 3.37Å
63	R	97.6	Very high	96.9	Very high	47 Å²	47	86.4 Å²	86.4	18%	0.177	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-83.7	120.9	173	-177.7	178.4	-66.4	-85.6	2.1	111.5	G162 N203 E204 G206 I207	R63-G162 PolarHBondContact NH1-O 2.02Å; R63-G162 PolarHBondContact NH2-O 3.02Å; R63-N203 VanDerWaalsContact CZ-O 3.27Å; R63-N203 PolarHBondContact NE-O 3Å; R63-N203 PolarHBondContact NH2-O 2.86Å; R63-N203 PolarHBondContact NH2-OD1 3.32Å; R63-E204 PolarHBondContact N-O 3.06Å; R63-E204 VanDerWaalsContact N-O 3.15Å; R63-G206 PolarHBondContact NH2-O 3.33Å; R63-I207 HydrophobicContact CB-CG2 3.87Å; R63-I207 HydrophobicContact CG-CG2 4.21Å; R63-I207 PolarHBondContact NH1-O 3.4Å
64	P	97.6	Very high	96.7	Very high	69 Å²	69	90.3 Å²	90.3	45%	0.448	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-70.7	147.6	171.9	29.7	-32.8	0	0	0	110.6	Q161 I207	P64-Q161 PolarHBondContact O-NE2 2.8Å; P64-I207 HydrophobicContact CG-CD1 4.26Å
65	K	97.8	Very high	96.7	Very high	200 Å²	200	92.9 Å²	92.9	87%	0.87	47%	0.471	S	S	*	.	P	Polyproline II helix	trans	-58.9	138.4	169.5	-69.6	-174.3	178.9	-178.6	0	109.5
66	P	97.9	Very high	96.7	Very high	56 Å²	56	94.4 Å²	94.4	36%	0.364	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-60.4	143	175.5	-22.5	32.7	0	0	0	112.1	L138 F139	P66-L138 HydrophobicContact CG-CD2 3.93Å; P66-F139 HydrophobicContact CB-CE2 3.99Å; P66-F139 HydrophobicContact CB-CZ 3.53Å; P66-F139 HydrophobicContact CG-CE2 4.39Å; P66-F139 HydrophobicContact CG-CZ 3.98Å
67	D	98.1	Very high	96.7	Very high	69 Å²	69	90.9 Å²	90.9	37%	0.369	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-64.8	140.2	174.9	-170.7	-73.3	0	0	0	110.3	Y69 C70 F157	D67-Y69 PolarHBondContact O-N 3.05Å; D67-Y69 WeakPolarHBondContact OD1-CB 3.14Å; D67-Y69 PolarHBondContact OD1-N 3.05Å; D67-C70 WeakPolarHBondContact O-CB 3.47Å; D67-C70 PolarHBondContact O-N 3.29Å; D67-F157 HydrophobicContact CB-CE1 4.32Å; D67-F157 HydrophobicContact CB-CZ 3.65Å
68	P	97.7	Very high	96.6	Very high	108 Å²	108	93.7 Å²	93.7	70%	0.701	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-22.2	178.6	-26.8	35.3	0	0	0	115.3	C70	P68-C70 VanDerWaalsContact C-N 3.28Å
69	Y	97.3	Very high	96.6	Very high	96 Å²	96	93.3 Å²	93.3	38%	0.376	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-35.5	171.9	-179.3	-93.8	0	0	0	112.1	D67 Q71 H148 R150 F157	D67-Y69 PolarHBondContact O-N 3.05Å; D67-Y69 WeakPolarHBondContact OD1-CB 3.14Å; D67-Y69 PolarHBondContact OD1-N 3.05Å; Y69-Q71 PolarHBondContact O-N 2.93Å; Y69-Q71 VanDerWaalsContact O-N 3.16Å; Y69-H148 HydrophobicContact CE1-CB 3.82Å; Y69-H148 AromaticContact CE1-CD2 3.93Å; Y69-H148 AromaticContact CE1-CG 3.66Å; Y69-H148 WeakPolarHBondContact OH-CB 3.36Å; Y69-H148 PolarHBondContact OH-ND1 3.01Å; Y69-R150 HydrophobicContact CE2-CG 4.14Å; Y69-F157 AromaticContact CD1-CD1 3.62Å; Y69-F157 HydrophobicContact CD1-CD1 3.62Å; Y69-F157 AromaticContact CD1-CE1 3.6Å; Y69-F157 HydrophobicContact CD1-CE1 3.6Å; Y69-F157 HydrophobicContact CE1-CD1 4Å; Y69-F157 HydrophobicContact CE1-CE1 4.43Å; Y69-F157 HydrophobicContact CG-CD1 4.42Å; Y69-F157 HydrophobicContact CG-CE1 4.2Å
70	C	97.6	Very high	96.5	Very high	17 Å²	17	90.2 Å²	90.2	12%	0.115	49%	0.485	C	S	.	.			trans	-77.8	101.8	-179.7	-57.9	0	0	0	0	110.1	D67 P68 F139 C159	D67-C70 WeakPolarHBondContact O-CB 3.47Å; D67-C70 PolarHBondContact O-N 3.29Å; P68-C70 VanDerWaalsContact C-N 3.28Å; C70-F139 HydrophobicContact CB-CD1 4.03Å; C70-F139 HydrophobicContact CB-CD2 3.96Å; C70-F139 HydrophobicContact CB-CE1 3.75Å; C70-F139 HydrophobicContact CB-CE2 3.66Å; C70-F139 HydrophobicContact CB-CG 4.15Å; C70-F139 HydrophobicContact CB-CZ 3.57Å; C70-F139 WeakPolarHBondContact O-CE1 3.23Å; C70-C159 WeakPolarHBondContact CA-SG 3.41Å; C70-C159 HydrophobicContact CB-CB 3.77Å; C70-C159 WeakPolarHBondContact CB-SG 3.46Å; C70-C159 VanDerWaalsContact SG-CA 3.53Å; C70-C159 WeakPolarHBondContact SG-CB 3.41Å; C70-C159 CovalentContact SG-SG 2.04Å; C70-C159 PolarHBondContact SG-SG 2.92Å
71	Q	96.3	Very high	96.4	Very high	156 Å²	156	89.7 Å²	89.7	73%	0.729	49%	0.488	S	S	*	.			trans	-120.2	127.9	178.1	-62.7	-174.6	-11.1	0	0	110.5	Y69	Y69-Q71 PolarHBondContact O-N 2.93Å; Y69-Q71 VanDerWaalsContact O-N 3.16Å
72	A	94.3	Very high	96.4	Very high	37 Å²	37	87.2 Å²	87.2	31%	0.306	48%	0.481	S	S	.	.			trans	-86.1	137.6	178.2	0	0	0	0	0	110	Y74 L138 F139	A72-Y74 WeakPolarHBondContact CB-O 3.37Å; A72-L138 WeakPolarHBondContact CB-O 3.27Å; A72-F139 HydrophobicContact CB-CD1 3.94Å
73	K	91.1	Very high	96.6	Very high	193 Å²	193	86.1 Å²	86.1	84%	0.839	47%	0.468	S	S	*	.	S	Bend	trans	-71.5	-36.3	171.5	-70.6	-173.6	178.3	-177.2	0	111.7
74	Y	92.3	Very high	96.6	Very high	130 Å²	130	85.7 Å²	85.7	51%	0.51	47%	0.472	S	S	.	.	S	Bend	trans	-113.4	129.8	171.8	-59.8	-77.8	0	0	0	108.1	A72 F76 F104 Q140	A72-Y74 WeakPolarHBondContact CB-O 3.37Å; Y74-F76 PolarHBondContact O-N 2.77Å; Y74-F104 HydrophobicContact CE2-CE2 4.02Å; Y74-F104 HydrophobicContact CE2-CZ 4.31Å; Y74-F104 AromaticContact CZ-CE2 3.97Å; Y74-Q140 PolarHBondContact O-NE2 2.92Å
75	T	95.8	Very high	96.6	Very high	108 Å²	108	88.4 Å²	88.4	66%	0.663	49%	0.487	S	S	*	.			trans	-60.2	130.8	-179.1	-54.5	0	0	0	0	110.5
76	F	97.3	Very high	96.6	Very high	51 Å²	51	79.4 Å²	79.4	22%	0.224	45%	0.448	C	S	.	.	S	Bend	trans	-65.5	131.7	170.6	173.1	-97.1	0	0	0	110.4	Y74 Y136 L138 A163 C165	Y74-F76 PolarHBondContact O-N 2.77Å; F76-Y136 AromaticContact CD2-CD2 3.92Å; F76-Y136 HydrophobicContact CD2-CD2 3.92Å; F76-Y136 HydrophobicContact CD2-CE1 4.14Å; F76-Y136 AromaticContact CD2-CE2 3.44Å; F76-Y136 HydrophobicContact CD2-CE2 3.44Å; F76-Y136 VanDerWaalsContact CD2-CE2 3.44Å; F76-Y136 HydrophobicContact CD2-CG 4.49Å; F76-Y136 AromaticContact CD2-CZ 3.6Å; F76-Y136 AromaticContact CE2-CD1 3.95Å; F76-Y136 HydrophobicContact CE2-CD1 3.95Å; F76-Y136 HydrophobicContact CE2-CD2 4Å; F76-Y136 AromaticContact CE2-CE1 3.69Å; F76-Y136 HydrophobicContact CE2-CE1 3.69Å; F76-Y136 AromaticContact CE2-CE2 3.78Å; F76-Y136 HydrophobicContact CE2-CE2 3.78Å; F76-Y136 HydrophobicContact CE2-CG 4.11Å; F76-Y136 AromaticContact CE2-CZ 3.65Å; F76-Y136 HydrophobicContact CG-CE2 4.48Å; F76-Y136 HydrophobicContact CZ-CE1 4.43Å; F76-L138 HydrophobicContact CB-CG 4.4Å; F76-L138 HydrophobicContact CD1-CD1 4.42Å; F76-L138 HydrophobicContact CD1-CG 4.21Å; F76-L138 HydrophobicContact CD2-CD1 4.12Å; F76-L138 HydrophobicContact CD2-CG 4.21Å; F76-L138 HydrophobicContact CE1-CD1 4.37Å; F76-L138 HydrophobicContact CE2-CD1 4.07Å; F76-L138 HydrophobicContact CG-CD1 4.31Å; F76-L138 HydrophobicContact CG-CG 4Å; F76-L138 HydrophobicContact CZ-CD1 4.21Å; F76-A163 HydrophobicContact CE1-CB 4.13Å; F76-A163 HydrophobicContact CE2-CB 4.47Å; F76-A163 HydrophobicContact CZ-CB 3.72Å; F76-A163 WeakPolarHBondContact CZ-O 3.43Å; F76-C165 HydrophobicContact CZ-CB 4.14Å
77	C	97.2	Very high	96.6	Very high	24 Å²	24	83.1 Å²	83.1	16%	0.162	46%	0.46	C	S	.	.	S	Bend	trans	50.6	56.9	174.6	-160.6	0	0	0	0	113.9	T79 G80 Y136 C165	C77-T79 VanDerWaalsContact C-N 3.26Å; C77-T79 PolarHBondContact O-N 3.09Å; C77-G80 PolarHBondContact O-N 2.88Å; C77-G80 VanDerWaalsContact O-N 3.08Å; C77-G80 WeakPolarHBondContact SG-CA 3.3Å; C77-Y136 WeakPolarHBondContact CA-OH 3.06Å; C77-Y136 PolarHBondContact N-OH 2.71Å; C77-C165 WeakPolarHBondContact CA-SG 3.4Å; C77-C165 HydrophobicContact CB-CB 3.64Å; C77-C165 WeakPolarHBondContact CB-SG 3.47Å; C77-C165 WeakPolarHBondContact SG-CA 3.19Å; C77-C165 WeakPolarHBondContact SG-CB 3.5Å; C77-C165 CovalentContact SG-SG 2.02Å; C77-C165 PolarHBondContact SG-SG 3.08Å
78	P	97.1	Very high	96.5	Very high	97 Å²	97	81.7 Å²	81.7	63%	0.63	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-29.1	-168.8	27.2	-35.3	0	0	0	113.7
79	T	96.7	Very high	96.3	Very high	96 Å²	96	82.9 Å²	82.9	59%	0.589	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	18.2	178.7	52.2	0	0	0	0	112.4	C77 S81 F167	C77-T79 VanDerWaalsContact C-N 3.26Å; C77-T79 PolarHBondContact O-N 3.09Å; T79-S81 PolarHBondContact O-N 2.67Å; T79-F167 VanDerWaalsContact O-CB 3.25Å; T79-F167 WeakPolarHBondContact O-CB 3.34Å
80	G	96.7	Very high	96.4	Very high	43 Å²	43	78.4 Å²	78.4	44%	0.443	45%	0.445	S	S	.	.			trans	-56.5	130.8	-177.5	0	0	0	0	0	113.1	C77 F166	C77-G80 PolarHBondContact O-N 2.88Å; C77-G80 VanDerWaalsContact O-N 3.08Å; C77-G80 WeakPolarHBondContact SG-CA 3.3Å; G80-F166 CarbonylContact C-O 3.57Å; G80-F166 WeakPolarHBondContact CA-O 3.43Å
81	S	95.9	Very high	96.4	Very high	42 Å²	42	82 Å²	82	29%	0.294	46%	0.464	S	S	.	.			trans	-123.9	151.8	175.9	62	0	0	0	0	110.9	T79 F166	T79-S81 PolarHBondContact O-N 2.67Å; S81-F166 PolarHBondContact N-O 3.21Å; S81-F166 VanDerWaalsContact O-O 3.12Å
82	P	97.4	Very high	96.5	Very high	118 Å²	118	74.6 Å²	74.6	77%	0.766	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-55.2	142.2	171	-22.7	33.3	0	0	0	111.5	P84	P82-P84 WeakPolarHBondContact O-CD 3.06Å
83	I	98.2	Very high	96.7	Very high	51 Å²	51	74.2 Å²	74.2	26%	0.262	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-66.3	121.3	174	-54.2	177.3	0	0	0	108.2	F166 F192 A196 V199	I83-F166 HydrophobicContact CB-CD1 4.46Å; I83-F166 HydrophobicContact CD1-CD2 4.46Å; I83-F166 HydrophobicContact CG1-CB 3.93Å; I83-F166 HydrophobicContact CG1-CD1 4.01Å; I83-F166 HydrophobicContact CG1-CD2 3.96Å; I83-F166 HydrophobicContact CG1-CE2 4.48Å; I83-F166 HydrophobicContact CG1-CG 3.7Å; I83-F166 HydrophobicContact CG2-CE2 4.28Å; I83-F166 HydrophobicContact CG2-CZ 4.26Å; I83-F192 HydrophobicContact CG2-CE1 3.66Å; I83-F192 HydrophobicContact CG2-CZ 3.75Å; I83-A196 HydrophobicContact CB-CB 4.42Å; I83-A196 HydrophobicContact CD1-CB 4.36Å; I83-A196 HydrophobicContact CG2-CB 3.66Å; I83-V199 HydrophobicContact CD1-CB 4.43Å; I83-V199 HydrophobicContact CD1-CG1 4.1Å
84	P	97.7	Very high	97.1	Very high	39 Å²	39	65 Å²	65	25%	0.253	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-72.4	163.5	-179.1	31.4	-36	0	0	0	111.4	P82 M86 Y131 F166	P82-P84 WeakPolarHBondContact O-CD 3.06Å; P84-M86 HydrophobicContact CG-CE 3.79Å; P84-M86 HydrophobicContact CG-SD 4.46Å; P84-Y131 HydrophobicContact CG-CE1 4.2Å; P84-F166 VanDerWaalsContact CD-CE1 3.48Å
85	V	98.1	Very high	97.4	Very high	126 Å²	126	59.6 Å²	59.6	76%	0.764	36%	0.36	S	S	*	.	P	Polyproline II helix	trans	-91.6	126.2	168.3	-178.5	0	0	0	0	107.9	N193	V85-N193 WeakPolarHBondContact CA-OD1 3.15Å
86	M	97.8	Very high	97.5	Very high	10 Å²	10	54.9 Å²	54.9	5%	0.049	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-91	150.6	177.9	-59.3	-59.5	-174.5	0	0	111.2	P84 I92 Y131 F192 N193	P84-M86 HydrophobicContact CG-CE 3.79Å; P84-M86 HydrophobicContact CG-SD 4.46Å; M86-I92 HydrophobicContact CB-CD1 4.37Å; M86-I92 HydrophobicContact CG-CD1 4.02Å; M86-I92 HydrophobicContact SD-CD1 4.19Å; M86-Y131 HydrophobicContact CE-CD2 4.1Å; M86-Y131 HydrophobicContact CE-CE2 3.65Å; M86-F192 HydrophobicContact CB-CD1 4.24Å; M86-F192 HydrophobicContact CE-CD1 4.23Å; M86-F192 HydrophobicContact CE-CE1 3.78Å; M86-F192 HydrophobicContact CE-CE2 4.26Å; M86-F192 HydrophobicContact CE-CZ 3.79Å; M86-F192 HydrophobicContact CG-CB 4.3Å; M86-F192 HydrophobicContact CG-CD1 3.33Å; M86-F192 HydrophobicContact CG-CE1 3.74Å; M86-F192 HydrophobicContact CG-CG 3.86Å; M86-N193 PolarHBondContact N-OD1 3.16Å; M86-N193 PolarHBondContact O-ND2 3.11Å
87	E	97.8	Very high	97.6	Very high	134 Å²	134	52.5 Å²	52.5	63%	0.626	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-62.8	141.3	169.8	-72.1	-59.9	156.1	0	0	110.7	D89 D90 L126 G189	E87-D89 VanDerWaalsContact C-N 3.28Å; E87-D89 PolarHBondContact O-N 2.99Å; E87-D90 HydrophobicContact CB-CB 4.47Å; E87-D90 WeakPolarHBondContact O-CB 3.36Å; E87-D90 PolarHBondContact O-N 3.14Å; E87-D90 VanDerWaalsContact O-N 3.12Å; E87-L126 HydrophobicContact CB-CD1 3.96Å; E87-G189 VanDerWaalsContact O-CA 3.3Å; E87-G189 WeakPolarHBondContact O-CA 3.37Å
88	G	95.8	Very high	97.5	Very high	39 Å²	39	51.3 Å²	51.3	40%	0.402	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-33.4	-166.4	0	0	0	0	0	114.3	N190	G88-N190 PolarHBondContact O-N 3.47Å
89	D	95.1	Very high	97.3	Very high	134 Å²	134	46.7 Å²	46.7	72%	0.717	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.2	6	-179.8	63.4	-23.7	0	0	0	113.8	E87	E87-D89 VanDerWaalsContact C-N 3.28Å; E87-D89 PolarHBondContact O-N 2.99Å
90	D	98	Very high	96.8	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.011	26%	0.255	C	S	.	.			trans	-64.4	140.6	172.4	-162.9	-7.8	0	0	0	110.6	E87 I92 S124 T125 L126 S188 G189	E87-D90 HydrophobicContact CB-CB 4.47Å; E87-D90 WeakPolarHBondContact O-CB 3.36Å; E87-D90 PolarHBondContact O-N 3.14Å; E87-D90 VanDerWaalsContact O-N 3.12Å; D90-I92 HydrophobicContact CB-CD1 3.94Å; D90-I92 VanDerWaalsContact CG-CD1 3.44Å; D90-I92 VanDerWaalsContact OD2-CD1 3.23Å; D90-I92 WeakPolarHBondContact OD2-CD1 3.48Å; D90-S124 VanDerWaalsContact OD2-CB 3.27Å; D90-S124 WeakPolarHBondContact OD2-CB 3.38Å; D90-S124 PolarHBondContact OD2-OG 2.82Å; D90-T125 PolarHBondContact OD1-N 3.17Å; D90-T125 PolarHBondContact OD1-OG1 2.84Å; D90-T125 VanDerWaalsContact OD1-OG1 3.05Å; D90-L126 HydrophobicContact CB-CD1 3.65Å; D90-L126 HydrophobicContact CB-CG 4.06Å; D90-L126 WeakPolarHBondContact OD1-CG 3.48Å; D90-L126 PolarHBondContact OD1-N 2.81Å; D90-L126 VanDerWaalsContact OD1-N 3.16Å; D90-S188 CarbonylContact O-C 3.59Å; D90-S188 VanDerWaalsContact O-CA 3.27Å; D90-S188 WeakPolarHBondContact O-CA 3.28Å; D90-G189 PolarHBondContact O-N 3.27Å
91	D	98.4	Very high	96	Very high	93 Å²	93	42 Å²	42	50%	0.497	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	111.9	166.6	-78.4	-38.3	0	0	0	109.2	T125 T186	D91-T125 HydrophobicContact CB-CG2 4.12Å; D91-T125 WeakPolarHBondContact CB-OG1 3.48Å; D91-T125 PolarHBondContact N-OG1 3.22Å; D91-T125 VanDerWaalsContact O-CG2 3.28Å; D91-T125 WeakPolarHBondContact O-CG2 3.27Å; D91-T125 PolarHBondContact O-N 3.18Å; D91-T125 VanDerWaalsContact O-N 3.11Å; D91-T125 PolarHBondContact O-OG1 3.25Å; D91-T186 HydrophobicContact CB-CG2 4.02Å
92	I	98.8	Very high	94.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	114.5	177.6	-46.9	-60.2	0	0	0	109.3	M86 D90 F122 R123 T186 I187 F192	M86-I92 HydrophobicContact CB-CD1 4.37Å; M86-I92 HydrophobicContact CG-CD1 4.02Å; M86-I92 HydrophobicContact SD-CD1 4.19Å; D90-I92 HydrophobicContact CB-CD1 3.94Å; D90-I92 VanDerWaalsContact CG-CD1 3.44Å; D90-I92 VanDerWaalsContact OD2-CD1 3.23Å; D90-I92 WeakPolarHBondContact OD2-CD1 3.48Å; I92-F122 HydrophobicContact CG2-CB 4.01Å; I92-F122 HydrophobicContact CG2-CD1 4.08Å; I92-R123 CarbonylContact C-O 3.54Å; I92-R123 WeakPolarHBondContact CA-O 3.22Å; I92-T186 CarbonylContact O-C 3.48Å; I92-T186 WeakPolarHBondContact O-CA 3.26Å; I92-I187 HydrophobicContact CB-CG1 3.87Å; I92-I187 HydrophobicContact CG2-CG1 4.43Å; I92-I187 PolarHBondContact N-O 3.22Å; I92-I187 PolarHBondContact O-N 3.18Å; I92-F192 HydrophobicContact CG1-CB 4.25Å; I92-F192 HydrophobicContact CG2-CD2 4.21Å
93	E	98.8	Very high	92.9	Very high	29 Å²	29	38.9 Å²	38.9	14%	0.136	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	131	174.2	-56	-177.7	113.3	0	0	110.2	F95 F122 R123 K183	E93-F95 HydrophobicContact CB-CE2 3.68Å; E93-F95 HydrophobicContact CB-CZ 3.97Å; E93-F122 CarbonylContact O-C 3.6Å; E93-F122 VanDerWaalsContact O-CA 3.28Å; E93-F122 WeakPolarHBondContact O-CA 3.27Å; E93-R123 HydrophobicContact CB-CB 4.37Å; E93-R123 PolarHBondContact N-O 3.23Å; E93-R123 PolarHBondContact O-N 3.1Å; E93-R123 IonicContact OE1-NH2 3.6Å; E93-R123 IonicContact OE2-CZ 2.66Å; E93-R123 IonicContact OE2-NE 3.35Å; E93-R123 PolarHBondContact OE2-NE 2.95Å; E93-R123 IonicContact OE2-NH2 2.59Å; E93-R123 PolarHBondContact OE2-NH2 2.89Å; E93-K183 HydrophobicContact CB-CD 4.26Å; E93-K183 HydrophobicContact CG-CD 4.4Å; E93-K183 IonicContact OE1-NZ 2.72Å; E93-K183 PolarHBondContact OE1-NZ 3.42Å
94	V	98.8	Very high	91.1	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.4	-178.3	-173.1	0	0	0	0	109.2	I120 G121 F122 K183 V184 A185 I187 F239	V94-I120 HydrophobicContact CG1-CG2 3.73Å; V94-G121 CarbonylContact C-O 3.54Å; V94-G121 WeakPolarHBondContact CA-O 3.44Å; V94-F122 HydrophobicContact CG1-CD1 4.45Å; V94-F122 HydrophobicContact CG1-CE1 4.11Å; V94-F122 HydrophobicContact CG2-CD1 4.12Å; V94-F122 HydrophobicContact CG2-CE1 4.16Å; V94-K183 CarbonylContact O-C 3.56Å; V94-K183 WeakPolarHBondContact O-CA 3.24Å; V94-V184 HydrophobicContact CB-CG2 4.38Å; V94-V184 HydrophobicContact CG1-CG2 4.07Å; V94-V184 WeakPolarHBondContact O-CG2 3.48Å; V94-V184 PolarHBondContact O-N 2.61Å; V94-A185 HydrophobicContact CB-CB 4.2Å; V94-A185 HydrophobicContact CG2-CB 4.43Å; V94-A185 PolarHBondContact N-O 3.42Å; V94-A185 PolarHBondContact O-N 3.37Å; V94-I187 HydrophobicContact CG2-CB 4.48Å; V94-I187 HydrophobicContact CG2-CD1 3.88Å; V94-I187 HydrophobicContact CG2-CG1 3.83Å; V94-I187 HydrophobicContact CG2-CG2 3.99Å; V94-F239 HydrophobicContact CG1-CE1 4.04Å
95	F	98.6	Very high	89.3	Confident	15 Å²	15	46.4 Å²	46.4	7%	0.066	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.1	-178.5	-59.5	-94.1	0	0	0	110.6	E93 L97 I120 G121 R123 I170 L181 V182 K183	E93-F95 HydrophobicContact CB-CE2 3.68Å; E93-F95 HydrophobicContact CB-CZ 3.97Å; F95-L97 HydrophobicContact CB-CD2 4.1Å; F95-I120 WeakPolarHBondContact O-CA 3.47Å; F95-G121 PolarHBondContact N-O 2.89Å; F95-G121 PolarHBondContact O-N 3.16Å; F95-R123 HydrophobicContact CE2-CB 3.79Å; F95-I170 HydrophobicContact CD2-CD1 4.25Å; F95-L181 HydrophobicContact CD1-CD2 3.84Å; F95-L181 HydrophobicContact CE1-CD2 4.29Å; F95-V182 CarbonylContact C-O 3.57Å; F95-V182 VanDerWaalsContact CA-O 3.28Å; F95-V182 WeakPolarHBondContact CA-O 3.39Å; F95-K183 HydrophobicContact CD1-CB 3.9Å; F95-K183 HydrophobicContact CE1-CB 3.74Å; F95-K183 HydrophobicContact CE1-CG 4.38Å; F95-K183 HydrophobicContact CZ-CB 4.46Å
96	R	98.2	Very high	87.4	Confident	10 Å²	10	46 Å²	46	4%	0.038	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	126.8	160.1	171.6	176.3	176.4	-101.4	-2.1	107.8	Q98 V182 V184 N255	R96-Q98 VanDerWaalsContact NH2-NE2 3.13Å; R96-V182 HydrophobicContact CB-CG1 4.03Å; R96-V182 PolarHBondContact N-O 3.26Å; R96-V182 PolarHBondContact O-N 3.03Å; R96-V182 VanDerWaalsContact O-N 3.09Å; R96-V184 HydrophobicContact CB-CG1 3.65Å; R96-N255 PolarHBondContact NH2-O 2.85Å
97	L	98.1	Very high	85.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	128.4	177.5	-56.2	179.4	0	0	0	108.2	F95 A119 T132 I170 W175 T180 L181	F95-L97 HydrophobicContact CB-CD2 4.1Å; L97-A119 HydrophobicContact CB-CB 3.99Å; L97-A119 WeakPolarHBondContact CB-O 3.3Å; L97-A119 HydrophobicContact CD1-CB 4.33Å; L97-A119 PolarHBondContact N-O 3.49Å; L97-A119 PolarHBondContact O-N 3.44Å; L97-A119 VanDerWaalsContact O-O 3.13Å; L97-T132 HydrophobicContact CD1-CG2 3.98Å; L97-I170 HydrophobicContact CD1-CG2 4.36Å; L97-I170 HydrophobicContact CD2-CG2 4.13Å; L97-W175 HydrophobicContact CB-CD2 3.71Å; L97-W175 HydrophobicContact CB-CE3 3.72Å; L97-W175 HydrophobicContact CB-CG 4.23Å; L97-W175 HydrophobicContact CB-CH2 4.22Å; L97-W175 HydrophobicContact CB-CZ2 4.21Å; L97-W175 HydrophobicContact CB-CZ3 3.98Å; L97-W175 HydrophobicContact CD1-CD2 4.35Å; L97-W175 HydrophobicContact CD1-CZ2 4.18Å; L97-W175 HydrophobicContact CD2-CB 4.36Å; L97-W175 HydrophobicContact CD2-CD2 4.38Å; L97-W175 HydrophobicContact CD2-CG 4.02Å; L97-W175 HydrophobicContact CG-CD2 4.36Å; L97-T180 CarbonylContact C-O 3.13Å; L97-T180 WeakPolarHBondContact CA-O 3.37Å; L97-L181 HydrophobicContact CD2-CB 4.25Å; L97-L181 HydrophobicContact CD2-CD1 4.05Å; L97-L181 HydrophobicContact CD2-CG 3.68Å
98	Q	95.8	Very high	84.1	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	134	177.4	-171.2	175.2	74.3	0	0	109.6	R96 M116 H117 D118 G179 T180 N255 Y343	R96-Q98 VanDerWaalsContact NH2-NE2 3.13Å; Q98-M116 HydrophobicContact CG-CB 3.49Å; Q98-M116 VanDerWaalsContact CG-CB 3.49Å; Q98-M116 HydrophobicContact CG-CE 3.95Å; Q98-M116 HydrophobicContact CG-CG 4.06Å; Q98-H117 VanDerWaalsContact CA-O 3.27Å; Q98-H117 WeakPolarHBondContact CA-O 3.37Å; Q98-D118 PolarHBondContact NE2-OD1 3.05Å; Q98-G179 CarbonylContact O-C 3.6Å; Q98-G179 WeakPolarHBondContact O-CA 3.44Å; Q98-T180 PolarHBondContact N-O 2.93Å; Q98-T180 PolarHBondContact O-N 3.39Å; Q98-N255 PolarHBondContact NE2-O 3.32Å; Q98-Y343 PolarHBondContact OE1-OH 3.1Å
99	A	92.2	Very high	82.3	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	155.5	177.3	0	0	0	0	0	110.3	V101 M116 H117 W175	A99-V101 PolarHBondContact O-N 2.84Å; A99-M116 CarbonylContact O-C 3.35Å; A99-M116 WeakPolarHBondContact O-CA 3.22Å; A99-H117 PolarHBondContact N-O 2.97Å; A99-H117 PolarHBondContact O-N 2.99Å; A99-W175 HydrophobicContact CB-CE3 3.59Å; A99-W175 HydrophobicContact CB-CZ3 3.75Å
100	P	87.2	Confident	80.9	Confident	4 Å²	4	42.4 Å²	42.4	3%	0.026	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	137.2	176.1	-24.4	35.6	0	0	0	112.3	M116 N178	P100-M116 HydrophobicContact CG-CE 4.1Å; P100-M116 HydrophobicContact CG-SD 4.31Å; P100-N178 WeakPolarHBondContact CD-O 3.41Å; P100-N178 HydrophobicContact CG-CB 3.83Å
101	V	78.8	Confident	79	Confident	35 Å²	35	43.3 Å²	43.3	21%	0.212	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	144	178.6	-160.6	0	0	0	0	109.7	A99 E103 L110 I115 M116 H117	A99-V101 PolarHBondContact O-N 2.84Å; V101-E103 PolarHBondContact O-N 3.19Å; V101-E103 VanDerWaalsContact O-N 3.17Å; V101-L110 WeakPolarHBondContact O-CD1 3.13Å; V101-I115 HydrophobicContact CB-CG2 4.42Å; V101-I115 HydrophobicContact CG2-CG2 3.8Å; V101-I115 WeakPolarHBondContact CG2-O 3.35Å; V101-I115 PolarHBondContact N-O 2.85Å; V101-M116 VanDerWaalsContact CG2-C 3.46Å; V101-H117 HydrophobicContact CG2-CB 4.12Å
102	W	62.3	Low	77.3	Confident	58 Å²	58	46 Å²	46	22%	0.22	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	29.1	175.9	-61	87.5	0	0	0	115	F104 K105 Y106 L110 Q140	W102-F104 HydrophobicContact CD2-CE1 4.29Å; W102-F104 HydrophobicContact CD2-CZ 4.18Å; W102-F104 AromaticContact CE3-CE1 3.88Å; W102-F104 HydrophobicContact CE3-CE1 3.88Å; W102-F104 HydrophobicContact CE3-CE2 4.08Å; W102-F104 AromaticContact CE3-CZ 3.35Å; W102-F104 HydrophobicContact CE3-CZ 3.35Å; W102-F104 HydrophobicContact CZ3-CE2 4.34Å; W102-F104 AromaticContact CZ3-CZ 3.7Å; W102-F104 HydrophobicContact CZ3-CZ 3.7Å; W102-F104 PolarHBondContact O-N 3.26Å; W102-K105 HydrophobicContact CB-CB 4.36Å; W102-K105 HydrophobicContact CE3-CB 3.98Å; W102-K105 HydrophobicContact CE3-CD 3.5Å; W102-K105 HydrophobicContact CE3-CG 4.38Å; W102-K105 HydrophobicContact CZ3-CD 3.69Å; W102-K105 PolarHBondContact O-N 3.11Å; W102-Y106 HydrophobicContact CB-CD2 3.58Å; W102-Y106 HydrophobicContact CB-CE2 3.96Å; W102-Y106 HydrophobicContact CD2-CE2 4.35Å; W102-Y106 HydrophobicContact CE3-CE2 4.43Å; W102-Y106 HydrophobicContact CG-CD2 4.28Å; W102-Y106 HydrophobicContact CG-CE2 4.18Å; W102-Y106 PolarHBondContact O-N 2.77Å; W102-L110 HydrophobicContact CB-CD1 4Å; W102-Q140 HydrophobicContact CH2-CB 4.13Å; W102-Q140 HydrophobicContact CH2-CG 3.86Å; W102-Q140 HydrophobicContact CZ2-CB 4Å; W102-Q140 HydrophobicContact CZ2-CG 4.1Å
103	E	66.1	Low	75.8	Confident	37 Å²	37	51 Å²	51	17%	0.173	25%	0.252	C	S	.	.	H	α-helix	trans	-50.2	-41.6	174.3	-176	175.9	-134.4	0	0	111.7	V101 K105 G107 H174 N178	V101-E103 PolarHBondContact O-N 3.19Å; V101-E103 VanDerWaalsContact O-N 3.17Å; E103-K105 PolarHBondContact O-N 3.05Å; E103-G107 WeakPolarHBondContact O-CA 3.44Å; E103-G107 PolarHBondContact O-N 2.85Å; E103-H174 IonicContact OE2-CE1 3.03Å; E103-H174 IonicContact OE2-ND1 3.82Å; E103-H174 PolarHBondContact OE2-ND1 2.98Å; E103-N178 PolarHBondContact OE1-ND2 3.21Å
104	F	60.5	Low	74.9	Confident	139 Å²	139	55 Å²	55	61%	0.61	27%	0.269	S	S	*	.	H	α-helix	trans	-58.9	-22.2	176.3	73.6	-91.8	0	0	0	114.8	Y74 W102	Y74-F104 HydrophobicContact CE2-CE2 4.02Å; Y74-F104 HydrophobicContact CE2-CZ 4.31Å; Y74-F104 AromaticContact CZ-CE2 3.97Å; W102-F104 HydrophobicContact CD2-CE1 4.29Å; W102-F104 HydrophobicContact CD2-CZ 4.18Å; W102-F104 AromaticContact CE3-CE1 3.88Å; W102-F104 HydrophobicContact CE3-CE1 3.88Å; W102-F104 HydrophobicContact CE3-CE2 4.08Å; W102-F104 AromaticContact CE3-CZ 3.35Å; W102-F104 HydrophobicContact CE3-CZ 3.35Å; W102-F104 HydrophobicContact CZ3-CE2 4.34Å; W102-F104 AromaticContact CZ3-CZ 3.7Å; W102-F104 HydrophobicContact CZ3-CZ 3.7Å; W102-F104 PolarHBondContact O-N 3.26Å
105	K	59.5	Low	74.3	Confident	110 Å²	110	56.5 Å²	56.5	48%	0.478	28%	0.277	S	S	.	.	H	α-helix	trans	-108.8	-36.1	-175.4	-170.6	177.1	179.8	-164.6	0	113	W102 E103	W102-K105 HydrophobicContact CB-CB 4.36Å; W102-K105 HydrophobicContact CE3-CB 3.98Å; W102-K105 HydrophobicContact CE3-CD 3.5Å; W102-K105 HydrophobicContact CE3-CG 4.38Å; W102-K105 HydrophobicContact CZ3-CD 3.69Å; W102-K105 PolarHBondContact O-N 3.11Å; E103-K105 PolarHBondContact O-N 3.05Å
106	Y	59.8	Low	73.9	Confident	116 Å²	116	56.7 Å²	56.7	46%	0.455	28%	0.278	S	S	.	.	H	α-helix	trans	-122.7	4.5	-172.5	-55	-62.5	0	0	0	113.6	W102 L110	W102-Y106 HydrophobicContact CB-CD2 3.58Å; W102-Y106 HydrophobicContact CB-CE2 3.96Å; W102-Y106 HydrophobicContact CD2-CE2 4.35Å; W102-Y106 HydrophobicContact CE3-CE2 4.43Å; W102-Y106 HydrophobicContact CG-CD2 4.28Å; W102-Y106 HydrophobicContact CG-CE2 4.18Å; W102-Y106 PolarHBondContact O-N 2.77Å; Y106-L110 HydrophobicContact CD2-CD1 3.74Å; Y106-L110 HydrophobicContact CE2-CD1 4.44Å
107	G	63.7	Low	73.8	Confident	29 Å²	29	57.7 Å²	57.7	30%	0.299	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.9	-145.1	-173.4	0	0	0	0	0	111.7	E103 L109	E103-G107 WeakPolarHBondContact O-CA 3.44Å; E103-G107 PolarHBondContact O-N 2.85Å; G107-L109 PolarHBondContact O-N 2.81Å; G107-L109 VanDerWaalsContact O-N 3.14Å
108	D	61.7	Low	73.7	Confident	76 Å²	76	57.8 Å²	57.8	41%	0.406	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-0.2	-172.6	-50.3	-16.3	0	0	0	114.1	L110 G111 H112 N178	D108-L110 VanDerWaalsContact C-N 3.31Å; D108-L110 PolarHBondContact O-N 2.68Å; D108-G111 WeakPolarHBondContact O-CA 3.35Å; D108-G111 PolarHBondContact O-N 3.28Å; D108-H112 PolarHBondContact O-N 3.34Å; D108-H112 PolarHBondContact O-ND1 3.49Å; D108-N178 PolarHBondContact OD1-ND2 3.42Å
109	L	57.9	Low	73.9	Confident	107 Å²	107	57.8 Å²	57.8	56%	0.56	28%	0.284	S	S	*	.	H	α-helix	trans	-56.9	-43.7	-174.7	178.7	63.1	0	0	0	112.4	G107 G111 H112 L113	G107-L109 PolarHBondContact O-N 2.81Å; G107-L109 VanDerWaalsContact O-N 3.14Å; L109-G111 VanDerWaalsContact C-N 3.32Å; L109-H112 PolarHBondContact O-N 3.48Å; L109-L113 PolarHBondContact O-N 2.58Å
110	L	65.6	Low	74.2	Confident	31 Å²	31	57.8 Å²	57.8	16%	0.162	28%	0.284	C	S	.	.	H	α-helix	trans	-76.5	-22.9	-180	-62.4	177.9	0	0	0	112.2	V101 W102 Y106 D108 L113 K114 I115	V101-L110 WeakPolarHBondContact O-CD1 3.13Å; W102-L110 HydrophobicContact CB-CD1 4Å; Y106-L110 HydrophobicContact CD2-CD1 3.74Å; Y106-L110 HydrophobicContact CE2-CD1 4.44Å; D108-L110 VanDerWaalsContact C-N 3.31Å; D108-L110 PolarHBondContact O-N 2.68Å; L110-L113 HydrophobicContact CD2-CD1 4.44Å; L110-L113 CarbonylContact O-C 3.53Å; L110-L113 PolarHBondContact O-N 2.95Å; L110-K114 PolarHBondContact O-N 2.73Å; L110-K114 VanDerWaalsContact O-N 3.14Å; L110-I115 HydrophobicContact CD2-CD1 4.22Å; L110-I115 PolarHBondContact O-N 3.34Å
111	G	59	Low	74.7	Confident	21 Å²	21	57.6 Å²	57.6	22%	0.216	28%	0.282	C	S	.	.	H	α-helix	trans	-66.5	-39.2	169.8	0	0	0	0	0	112.2	D108 L109 L113 K114	D108-G111 WeakPolarHBondContact O-CA 3.35Å; D108-G111 PolarHBondContact O-N 3.28Å; L109-G111 VanDerWaalsContact C-N 3.32Å; G111-L113 PolarHBondContact O-N 3.04Å; G111-K114 WeakPolarHBondContact O-CA 3.41Å; G111-K114 PolarHBondContact O-N 3.14Å
112	H	62.3	Low	75.7	Confident	150 Å²	150	55.9 Å²	55.9	69%	0.694	27%	0.272	S	S	*	.	H	α-helix	trans	-63.4	-29.3	173	-66.3	109.6	0	0	0	113.2	D108 L109 K114	D108-H112 PolarHBondContact O-N 3.34Å; D108-H112 PolarHBondContact O-ND1 3.49Å; L109-H112 PolarHBondContact O-N 3.48Å; H112-K114 VanDerWaalsContact C-N 3.29Å
113	L	66.4	Low	77.4	Confident	105 Å²	105	58.2 Å²	58.2	55%	0.55	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	1.3	173.7	-62.6	177.5	0	0	0	113	L109 L110 G111 I115	L109-L113 PolarHBondContact O-N 2.58Å; L110-L113 HydrophobicContact CD2-CD1 4.44Å; L110-L113 CarbonylContact O-C 3.53Å; L110-L113 PolarHBondContact O-N 2.95Å; G111-L113 PolarHBondContact O-N 3.04Å; L113-I115 HydrophobicContact CB-CD1 4.3Å; L113-I115 HydrophobicContact CB-CG1 4.17Å; L113-I115 PolarHBondContact O-N 2.72Å
114	K	79.5	Confident	79	Confident	113 Å²	113	56.5 Å²	56.5	49%	0.491	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	41.1	-176.7	-56.5	-170.9	177.7	-170.5	0	113.1	L110 G111 H112 T257 Y343	L110-K114 PolarHBondContact O-N 2.73Å; L110-K114 VanDerWaalsContact O-N 3.14Å; G111-K114 WeakPolarHBondContact O-CA 3.41Å; G111-K114 PolarHBondContact O-N 3.14Å; H112-K114 VanDerWaalsContact C-N 3.29Å; K114-T257 PolarHBondContact O-OG1 2.93Å; K114-Y343 HydrophobicContact CB-CD2 4.28Å; K114-Y343 HydrophobicContact CB-CG 4.06Å; K114-Y343 HydrophobicContact CD-CD1 3.79Å; K114-Y343 HydrophobicContact CD-CG 3.89Å
115	I	86.4	Confident	80.7	Confident	31 Å²	31	53.5 Å²	53.5	16%	0.159	27%	0.266	C	S	.	.			trans	-93.6	100.5	169.4	-53.2	177.1	0	0	0	106.8	V101 L110 L113 T257 I341	V101-I115 HydrophobicContact CB-CG2 4.42Å; V101-I115 HydrophobicContact CG2-CG2 3.8Å; V101-I115 WeakPolarHBondContact CG2-O 3.35Å; V101-I115 PolarHBondContact N-O 2.85Å; L110-I115 HydrophobicContact CD2-CD1 4.22Å; L110-I115 PolarHBondContact O-N 3.34Å; L113-I115 HydrophobicContact CB-CD1 4.3Å; L113-I115 HydrophobicContact CB-CG1 4.17Å; L113-I115 PolarHBondContact O-N 2.72Å; I115-T257 HydrophobicContact CB-CG2 4.44Å; I115-T257 HydrophobicContact CG2-CG2 4.26Å; I115-I341 HydrophobicContact CD1-CD1 3.68Å; I115-I341 HydrophobicContact CG1-CD1 4.17Å; I115-I341 HydrophobicContact CG1-CG2 4.03Å
116	M	91.3	Very high	82.5	Confident	19 Å²	19	53.4 Å²	53.4	9%	0.094	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	143.1	-172.3	-46.3	-59.5	-73.8	0	0	111.6	Q98 A99 P100 V101 T257 Y343	Q98-M116 HydrophobicContact CG-CB 3.49Å; Q98-M116 VanDerWaalsContact CG-CB 3.49Å; Q98-M116 HydrophobicContact CG-CE 3.95Å; Q98-M116 HydrophobicContact CG-CG 4.06Å; A99-M116 CarbonylContact O-C 3.35Å; A99-M116 WeakPolarHBondContact O-CA 3.22Å; P100-M116 HydrophobicContact CG-CE 4.1Å; P100-M116 HydrophobicContact CG-SD 4.31Å; V101-M116 VanDerWaalsContact CG2-C 3.46Å; M116-T257 WeakPolarHBondContact CB-OG1 3.5Å; M116-T257 PolarHBondContact N-OG1 2.93Å; M116-Y343 HydrophobicContact CG-CD2 4.23Å; M116-Y343 HydrophobicContact CG-CE2 3.79Å
117	H	95.1	Very high	84.2	Confident	30 Å²	30	51.7 Å²	51.7	14%	0.139	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	138	165.2	-179.5	53.9	0	0	0	109.4	Q98 A99 V101 E134 W175	Q98-H117 VanDerWaalsContact CA-O 3.27Å; Q98-H117 WeakPolarHBondContact CA-O 3.37Å; A99-H117 PolarHBondContact N-O 2.97Å; A99-H117 PolarHBondContact O-N 2.99Å; V101-H117 HydrophobicContact CG2-CB 4.12Å; H117-E134 IonicContact CD2-OE2 3.27Å; H117-E134 IonicContact CE1-OE2 2.67Å; H117-E134 IonicContact NE2-OE2 2.96Å; H117-E134 PolarHBondContact NE2-OE2 2.73Å; H117-W175 AromaticContact CD2-CH2 3.94Å
118	D	97.5	Very high	85.7	Confident	2 Å²	2	53 Å²	53	1%	0.011	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	136.7	-176.4	-69	-73.3	0	0	0	111.4	Q98 S232 V235	Q98-D118 PolarHBondContact NE2-OD1 3.05Å; D118-S232 WeakPolarHBondContact OD2-CB 3.48Å; D118-V235 HydrophobicContact CB-CG2 3.92Å
119	A	98.4	Very high	87.3	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	172.1	176.3	0	0	0	0	0	111.5	L97 T132 E134 W175	L97-A119 HydrophobicContact CB-CB 3.99Å; L97-A119 WeakPolarHBondContact CB-O 3.3Å; L97-A119 HydrophobicContact CD1-CB 4.33Å; L97-A119 PolarHBondContact N-O 3.49Å; L97-A119 PolarHBondContact O-N 3.44Å; L97-A119 VanDerWaalsContact O-O 3.13Å; A119-T132 HydrophobicContact CB-CG2 4.24Å; A119-E134 HydrophobicContact CB-CB 3.96Å; A119-W175 HydrophobicContact CB-CH2 3.61Å; A119-W175 HydrophobicContact CB-CZ2 4Å; A119-W175 HydrophobicContact CB-CZ3 4.35Å
120	I	98.8	Very high	89.3	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	129	176.4	-57.9	170.4	0	0	0	109.1	V94 F95 F122 M133 V235 T238 F239	V94-I120 HydrophobicContact CG1-CG2 3.73Å; F95-I120 WeakPolarHBondContact O-CA 3.47Å; I120-F122 HydrophobicContact CB-CE2 4.19Å; I120-F122 HydrophobicContact CB-CZ 4.23Å; I120-F122 HydrophobicContact CG2-CD2 4.36Å; I120-F122 HydrophobicContact CG2-CE1 3.85Å; I120-F122 HydrophobicContact CG2-CE2 3.69Å; I120-F122 HydrophobicContact CG2-CZ 3.4Å; I120-F122 VanDerWaalsContact CG2-CZ 3.4Å; I120-M133 HydrophobicContact CD1-CE 4.3Å; I120-M133 PolarHBondContact N-O 3.05Å; I120-M133 PolarHBondContact O-N 3.01Å; I120-V235 HydrophobicContact CD1-CB 4.37Å; I120-V235 HydrophobicContact CD1-CG1 4.14Å; I120-V235 HydrophobicContact CD1-CG2 4.33Å; I120-V235 HydrophobicContact CG1-CB 4.32Å; I120-V235 HydrophobicContact CG1-CG1 3.91Å; I120-V235 HydrophobicContact CG1-CG2 3.94Å; I120-T238 VanDerWaalsContact CD1-CB 3.46Å; I120-T238 HydrophobicContact CD1-CG2 3.48Å; I120-T238 VanDerWaalsContact CD1-CG2 3.48Å; I120-F239 HydrophobicContact CD1-CD1 4.09Å; I120-F239 HydrophobicContact CD1-CE1 3.72Å; I120-F239 HydrophobicContact CD1-CZ 4.28Å; I120-F239 HydrophobicContact CG1-CE1 3.82Å; I120-F239 HydrophobicContact CG1-CZ 4Å; I120-F239 HydrophobicContact CG2-CE1 4.1Å
121	G	98.8	Very high	90.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	145.9	171.9	0	0	0	0	0	111.3	V94 F95 Y131	V94-G121 CarbonylContact C-O 3.54Å; V94-G121 WeakPolarHBondContact CA-O 3.44Å; F95-G121 PolarHBondContact N-O 2.89Å; F95-G121 PolarHBondContact O-N 3.16Å; G121-Y131 CarbonylContact C-O 3.6Å; G121-Y131 WeakPolarHBondContact CA-O 3.41Å
122	F	98.8	Very high	92.7	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	138.3	172.9	-58.8	-81.1	0	0	0	109.6	I92 E93 V94 I120 N130 Y131 M133 F166 F192 M195	I92-F122 HydrophobicContact CG2-CB 4.01Å; I92-F122 HydrophobicContact CG2-CD1 4.08Å; E93-F122 CarbonylContact O-C 3.6Å; E93-F122 VanDerWaalsContact O-CA 3.28Å; E93-F122 WeakPolarHBondContact O-CA 3.27Å; V94-F122 HydrophobicContact CG1-CD1 4.45Å; V94-F122 HydrophobicContact CG1-CE1 4.11Å; V94-F122 HydrophobicContact CG2-CD1 4.12Å; V94-F122 HydrophobicContact CG2-CE1 4.16Å; I120-F122 HydrophobicContact CB-CE2 4.19Å; I120-F122 HydrophobicContact CB-CZ 4.23Å; I120-F122 HydrophobicContact CG2-CD2 4.36Å; I120-F122 HydrophobicContact CG2-CE1 3.85Å; I120-F122 HydrophobicContact CG2-CE2 3.69Å; I120-F122 HydrophobicContact CG2-CZ 3.4Å; I120-F122 VanDerWaalsContact CG2-CZ 3.4Å; F122-N130 CarbonylContact O-C 3.52Å; F122-N130 WeakPolarHBondContact O-CA 3.45Å; F122-N130 VanDerWaalsContact O-CB 3.25Å; F122-N130 WeakPolarHBondContact O-CB 3.36Å; F122-Y131 PolarHBondContact N-O 2.53Å; F122-Y131 PolarHBondContact O-N 2.79Å; F122-M133 HydrophobicContact CD2-CB 4.45Å; F122-M133 HydrophobicContact CE2-CB 3.8Å; F122-M133 HydrophobicContact CE2-CE 3.82Å; F122-M133 HydrophobicContact CE2-SD 4.26Å; F122-M133 HydrophobicContact CZ-CE 3.86Å; F122-F166 HydrophobicContact CD2-CE2 4.29Å; F122-F192 HydrophobicContact CB-CE2 4.15Å; F122-F192 AromaticContact CD1-CD2 3.9Å; F122-F192 HydrophobicContact CD1-CD2 3.9Å; F122-F192 AromaticContact CD1-CE2 3.86Å; F122-F192 HydrophobicContact CD1-CE2 3.86Å; F122-F192 HydrophobicContact CD2-CE2 4.01Å; F122-F192 HydrophobicContact CE1-CD2 4.18Å; F122-F192 HydrophobicContact CE1-CE2 4.23Å; F122-F192 HydrophobicContact CE2-CE2 4.35Å; F122-F192 HydrophobicContact CG-CD2 4.23Å; F122-F192 AromaticContact CG-CE2 3.73Å; F122-F192 HydrophobicContact CG-CE2 3.73Å; F122-F192 HydrophobicContact CZ-CE2 4.45Å; F122-M195 HydrophobicContact CE1-CE 3.78Å; F122-M195 HydrophobicContact CE2-CE 4.3Å; F122-M195 HydrophobicContact CZ-CE 3.58Å; F122-M195 HydrophobicContact CZ-SD 4.31Å
123	R	98.7	Very high	94.5	Very high	106 Å²	106	41.8 Å²	41.8	40%	0.4	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	120.8	171	-175.6	169.9	69.7	-165	8.9	110	I92 E93 F95 K129 N130	I92-R123 CarbonylContact C-O 3.54Å; I92-R123 WeakPolarHBondContact CA-O 3.22Å; E93-R123 HydrophobicContact CB-CB 4.37Å; E93-R123 PolarHBondContact N-O 3.23Å; E93-R123 PolarHBondContact O-N 3.1Å; E93-R123 IonicContact OE1-NH2 3.6Å; E93-R123 IonicContact OE2-CZ 2.66Å; E93-R123 IonicContact OE2-NE 3.35Å; E93-R123 PolarHBondContact OE2-NE 2.95Å; E93-R123 IonicContact OE2-NH2 2.59Å; E93-R123 PolarHBondContact OE2-NH2 2.89Å; F95-R123 HydrophobicContact CE2-CB 3.79Å; R123-K129 WeakPolarHBondContact CA-O 3.46Å; R123-N130 HydrophobicContact CB-CB 4.02Å; R123-N130 HydrophobicContact CG-CB 4.12Å
124	S	98.3	Very high	96	Very high	1 Å²	1	38 Å²	38	1%	0.007	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	133.9	174.2	156.6	0	0	0	0	109.7	D90 L126 T127 G128 K129	D90-S124 VanDerWaalsContact OD2-CB 3.27Å; D90-S124 WeakPolarHBondContact OD2-CB 3.38Å; D90-S124 PolarHBondContact OD2-OG 2.82Å; S124-L126 PolarHBondContact OG-N 2.8Å; S124-T127 WeakPolarHBondContact CB-OG1 3.48Å; S124-T127 PolarHBondContact OG-N 3.49Å; S124-T127 PolarHBondContact OG-OG1 2.86Å; S124-G128 VanDerWaalsContact O-CA 3.27Å; S124-G128 WeakPolarHBondContact O-CA 3.37Å; S124-G128 PolarHBondContact O-N 2.8Å; S124-G128 VanDerWaalsContact O-N 3.1Å; S124-K129 PolarHBondContact N-O 2.89Å
125	T	97.3	Very high	96.9	Very high	77 Å²	77	32.6 Å²	32.6	47%	0.472	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-32.2	176.5	55.1	0	0	0	0	112.1	D90 D91	D90-T125 PolarHBondContact OD1-N 3.17Å; D90-T125 PolarHBondContact OD1-OG1 2.84Å; D90-T125 VanDerWaalsContact OD1-OG1 3.05Å; D91-T125 HydrophobicContact CB-CG2 4.12Å; D91-T125 WeakPolarHBondContact CB-OG1 3.48Å; D91-T125 PolarHBondContact N-OG1 3.22Å; D91-T125 VanDerWaalsContact O-CG2 3.28Å; D91-T125 WeakPolarHBondContact O-CG2 3.27Å; D91-T125 PolarHBondContact O-N 3.18Å; D91-T125 VanDerWaalsContact O-N 3.11Å; D91-T125 PolarHBondContact O-OG1 3.25Å
126	L	97.1	Very high	97.4	Very high	107 Å²	107	33 Å²	33	56%	0.56	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-44.7	177.8	-67.2	-178	0	0	0	112.9	E87 D90 S124	E87-L126 HydrophobicContact CB-CD1 3.96Å; D90-L126 HydrophobicContact CB-CD1 3.65Å; D90-L126 HydrophobicContact CB-CG 4.06Å; D90-L126 WeakPolarHBondContact OD1-CG 3.48Å; D90-L126 PolarHBondContact OD1-N 2.81Å; D90-L126 VanDerWaalsContact OD1-N 3.16Å; S124-L126 PolarHBondContact OG-N 2.8Å
127	T	94.7	Very high	97.7	Very high	80 Å²	80	33.3 Å²	33.3	49%	0.491	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-19.4	-177.7	67	0	0	0	0	112.9	S124 K129	S124-T127 WeakPolarHBondContact CB-OG1 3.48Å; S124-T127 PolarHBondContact OG-N 3.49Å; S124-T127 PolarHBondContact OG-OG1 2.86Å; T127-K129 PolarHBondContact O-N 2.82Å; T127-K129 VanDerWaalsContact O-N 3.11Å; T127-K129 PolarHBondContact OG1-N 2.99Å
128	G	95.3	Very high	97.9	Very high	57 Å²	57	32.8 Å²	32.8	59%	0.588	18%	0.177	S	C	*	.			trans	69	-4.6	-171.5	0	0	0	0	0	114.4	S124	S124-G128 VanDerWaalsContact O-CA 3.27Å; S124-G128 WeakPolarHBondContact O-CA 3.37Å; S124-G128 PolarHBondContact O-N 2.8Å; S124-G128 VanDerWaalsContact O-N 3.1Å
129	K	97.3	Very high	97.8	Very high	89 Å²	89	33.4 Å²	33.4	39%	0.387	18%	0.179	S	C	.	.			trans	-76.7	151.1	179.6	-67.1	-175.2	169.1	-133.8	0	111	R123 S124 T127 Y131 E168	R123-K129 WeakPolarHBondContact CA-O 3.46Å; S124-K129 PolarHBondContact N-O 2.89Å; T127-K129 PolarHBondContact O-N 2.82Å; T127-K129 VanDerWaalsContact O-N 3.11Å; T127-K129 PolarHBondContact OG1-N 2.99Å; K129-Y131 HydrophobicContact CB-CE2 3.9Å; K129-Y131 WeakPolarHBondContact CD-OH 3.43Å; K129-E168 WeakPolarHBondContact CD-OE1 3.3Å; K129-E168 WeakPolarHBondContact CE-OE1 3.37Å; K129-E168 VanDerWaalsContact NZ-CD 3.31Å; K129-E168 IonicContact NZ-OE1 2.83Å; K129-E168 PolarHBondContact NZ-OE1 3.16Å; K129-E168 IonicContact NZ-OE2 2.66Å; K129-E168 PolarHBondContact NZ-OE2 3.37Å
130	N	98.2	Very high	97.6	Very high	43 Å²	43	35.1 Å²	35.1	23%	0.23	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	159.8	172	65.9	21.9	0	0	0	111.3	F122 R123 G169 I170	F122-N130 CarbonylContact O-C 3.52Å; F122-N130 WeakPolarHBondContact O-CA 3.45Å; F122-N130 VanDerWaalsContact O-CB 3.25Å; F122-N130 WeakPolarHBondContact O-CB 3.36Å; R123-N130 HydrophobicContact CB-CB 4.02Å; R123-N130 HydrophobicContact CG-CB 4.12Å; N130-G169 PolarHBondContact O-N 3.26Å; N130-G169 VanDerWaalsContact OD1-C 3.29Å; N130-G169 WeakPolarHBondContact OD1-CA 3.02Å; N130-I170 HydrophobicContact CB-CD1 3.86Å; N130-I170 HydrophobicContact CB-CG1 3.98Å; N130-I170 PolarHBondContact OD1-N 3.38Å
131	Y	98.6	Very high	97.3	Very high	17 Å²	17	37.3 Å²	37.3	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	149.1	-172	-53.4	-88	0	0	0	109.6	P84 M86 G121 F122 K129 F166 F167 E168	P84-Y131 HydrophobicContact CG-CE1 4.2Å; M86-Y131 HydrophobicContact CE-CD2 4.1Å; M86-Y131 HydrophobicContact CE-CE2 3.65Å; G121-Y131 CarbonylContact C-O 3.6Å; G121-Y131 WeakPolarHBondContact CA-O 3.41Å; F122-Y131 PolarHBondContact N-O 2.53Å; F122-Y131 PolarHBondContact O-N 2.79Å; K129-Y131 HydrophobicContact CB-CE2 3.9Å; K129-Y131 WeakPolarHBondContact CD-OH 3.43Å; Y131-F166 AromaticContact CD1-CE1 3.46Å; Y131-F166 HydrophobicContact CD1-CE1 3.46Å; Y131-F166 VanDerWaalsContact CD1-CE1 3.46Å; Y131-F166 AromaticContact CD1-CZ 3.53Å; Y131-F166 HydrophobicContact CD1-CZ 3.53Å; Y131-F166 HydrophobicContact CD2-CZ 4.21Å; Y131-F166 HydrophobicContact CE1-CE1 4.19Å; Y131-F166 HydrophobicContact CE1-CZ 4.39Å; Y131-F166 AromaticContact CG-CE1 3.88Å; Y131-F166 HydrophobicContact CG-CE1 3.88Å; Y131-F166 HydrophobicContact CG-CE2 4.31Å; Y131-F166 AromaticContact CG-CZ 3.42Å; Y131-F166 HydrophobicContact CG-CZ 3.42Å; Y131-F166 VanDerWaalsContact CG-CZ 3.42Å; Y131-F167 CarbonylContact C-O 3.57Å; Y131-F167 VanDerWaalsContact CA-O 3.25Å; Y131-F167 WeakPolarHBondContact CA-O 3.47Å; Y131-F167 WeakPolarHBondContact CB-O 3.45Å; Y131-E168 HydrophobicContact CD1-CB 4.11Å; Y131-E168 HydrophobicContact CD1-CG 4.36Å; Y131-E168 HydrophobicContact CE1-CB 4.12Å; Y131-E168 HydrophobicContact CE1-CG 4.09Å
132	T	98.8	Very high	97	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.7	171.4	-60.5	0	0	0	0	109	L97 A119 F166 F167 G169 W175	L97-T132 HydrophobicContact CD1-CG2 3.98Å; A119-T132 HydrophobicContact CB-CG2 4.24Å; T132-F166 WeakPolarHBondContact O-CA 3.42Å; T132-F167 VanDerWaalsContact CB-CZ 3.47Å; T132-F167 HydrophobicContact CG2-CE1 3.93Å; T132-F167 HydrophobicContact CG2-CE2 4.13Å; T132-F167 HydrophobicContact CG2-CZ 3.52Å; T132-F167 PolarHBondContact N-O 3.4Å; T132-F167 PolarHBondContact O-N 2.82Å; T132-G169 PolarHBondContact N-O 3.32Å; T132-G169 PolarHBondContact OG1-O 2.96Å; T132-W175 HydrophobicContact CG2-CZ2 4.12Å
133	M	98.8	Very high	96.9	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	125.4	173.9	-167.7	172.4	69	0	0	109.9	I120 F122 C165 F166 M195 V199 F234 T238	I120-M133 HydrophobicContact CD1-CE 4.3Å; I120-M133 PolarHBondContact N-O 3.05Å; I120-M133 PolarHBondContact O-N 3.01Å; F122-M133 HydrophobicContact CD2-CB 4.45Å; F122-M133 HydrophobicContact CE2-CB 3.8Å; F122-M133 HydrophobicContact CE2-CE 3.82Å; F122-M133 HydrophobicContact CE2-SD 4.26Å; F122-M133 HydrophobicContact CZ-CE 3.86Å; M133-C165 WeakPolarHBondContact CA-O 3.28Å; M133-F166 HydrophobicContact CB-CD2 3.89Å; M133-F166 HydrophobicContact CG-CD2 4.02Å; M133-F166 HydrophobicContact SD-CD2 4.14Å; M133-M195 HydrophobicContact CE-SD 3.85Å; M133-M195 HydrophobicContact SD-SD 4.35Å; M133-V199 HydrophobicContact CE-CG2 4Å; M133-V199 HydrophobicContact SD-CG1 4.17Å; M133-V199 HydrophobicContact SD-CG2 3.91Å; M133-F234 HydrophobicContact CE-CE1 3.91Å; M133-F234 HydrophobicContact CE-CZ 3.75Å; M133-F234 HydrophobicContact CG-CE1 4.08Å; M133-F234 HydrophobicContact CG-CZ 4.14Å; M133-F234 HydrophobicContact SD-CE1 4.47Å; M133-F234 HydrophobicContact SD-CZ 4.08Å; M133-T238 HydrophobicContact CE-CG2 3.85Å
134	E	98.1	Very high	96.8	Very high	24 Å²	24	36.2 Å²	36.2	11%	0.112	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	167.3	-177.6	58.4	179.6	174	0	0	110.2	H117 A119 Y136 A164 C165 F167	H117-E134 IonicContact CD2-OE2 3.27Å; H117-E134 IonicContact CE1-OE2 2.67Å; H117-E134 IonicContact NE2-OE2 2.96Å; H117-E134 PolarHBondContact NE2-OE2 2.73Å; A119-E134 HydrophobicContact CB-CB 3.96Å; E134-Y136 HydrophobicContact CB-CD1 4.34Å; E134-Y136 HydrophobicContact CG-CD1 3.69Å; E134-Y136 HydrophobicContact CG-CE1 3.58Å; E134-Y136 WeakPolarHBondContact OE1-CE1 3.25Å; E134-A164 CarbonylContact O-C 3.49Å; E134-A164 VanDerWaalsContact O-CA 3.32Å; E134-A164 WeakPolarHBondContact O-CA 3.4Å; E134-C165 HydrophobicContact CG-CB 3.8Å; E134-C165 PolarHBondContact N-O 3.12Å; E134-C165 PolarHBondContact O-N 3.24Å; E134-F167 HydrophobicContact CG-CE1 4.29Å; E134-F167 WeakPolarHBondContact OE1-CE1 3.5Å
135	W	98.5	Very high	96.8	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	118.6	174	-171.2	105.2	0	0	0	108.9	G162 A163 Y209 Y229 C231 F234	W135-G162 VanDerWaalsContact CZ2-O 3.24Å; W135-G162 WeakPolarHBondContact CZ2-O 3.17Å; W135-A163 VanDerWaalsContact CA-O 3.29Å; W135-A163 WeakPolarHBondContact CA-O 3.27Å; W135-Y209 HydrophobicContact CE3-CD2 4.07Å; W135-Y209 HydrophobicContact CH2-CD2 4.06Å; W135-Y209 HydrophobicContact CH2-CG 4.36Å; W135-Y209 AromaticContact CZ3-CD2 3.29Å; W135-Y209 HydrophobicContact CZ3-CD2 3.29Å; W135-Y209 HydrophobicContact CZ3-CE2 4.04Å; W135-Y209 AromaticContact CZ3-CG 3.96Å; W135-Y209 HydrophobicContact CZ3-CG 3.96Å; W135-Y229 AromaticContact CH2-CD1 3.54Å; W135-Y229 HydrophobicContact CH2-CD1 3.54Å; W135-Y229 AromaticContact CH2-CE1 3.78Å; W135-Y229 HydrophobicContact CH2-CE1 3.78Å; W135-Y229 AromaticContact CZ2-CD1 3.87Å; W135-Y229 HydrophobicContact CZ2-CD1 3.87Å; W135-Y229 AromaticContact CZ2-CE1 3.58Å; W135-Y229 HydrophobicContact CZ2-CE1 3.58Å; W135-Y229 HydrophobicContact CZ3-CD1 4.12Å; W135-Y229 VanDerWaalsContact CZ3-O 3.31Å; W135-Y229 WeakPolarHBondContact CZ3-O 3.31Å; W135-C231 WeakPolarHBondContact O-CA 3.17Å; W135-C231 WeakPolarHBondContact O-CB 3.36Å; W135-F234 HydrophobicContact CB-CB 3.46Å; W135-F234 VanDerWaalsContact CB-CB 3.46Å; W135-F234 HydrophobicContact CB-CD1 3.42Å; W135-F234 VanDerWaalsContact CB-CD1 3.42Å; W135-F234 HydrophobicContact CB-CD2 3.81Å; W135-F234 HydrophobicContact CB-CE1 4.05Å; W135-F234 HydrophobicContact CB-CE2 4.4Å; W135-F234 HydrophobicContact CB-CG 3.26Å; W135-F234 HydrophobicContact CB-CZ 4.49Å; W135-F234 AromaticContact CD1-CD2 3.69Å; W135-F234 HydrophobicContact CD2-CB 4.43Å; W135-F234 HydrophobicContact CG-CB 3.84Å; W135-F234 HydrophobicContact CG-CD1 4.39Å; W135-F234 AromaticContact CG-CD2 3.93Å; W135-F234 HydrophobicContact CG-CD2 3.93Å; W135-F234 AromaticContact CG-CG 3.8Å; W135-F234 HydrophobicContact CG-CG 3.8Å
136	Y	97.7	Very high	96.8	Very high	39 Å²	39	34.9 Å²	34.9	15%	0.153	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	179.8	-172.3	66.5	-80.6	0	0	0	111.6	F76 C77 E134 G162 A163 C165	F76-Y136 AromaticContact CD2-CD2 3.92Å; F76-Y136 HydrophobicContact CD2-CD2 3.92Å; F76-Y136 HydrophobicContact CD2-CE1 4.14Å; F76-Y136 AromaticContact CD2-CE2 3.44Å; F76-Y136 HydrophobicContact CD2-CE2 3.44Å; F76-Y136 VanDerWaalsContact CD2-CE2 3.44Å; F76-Y136 HydrophobicContact CD2-CG 4.49Å; F76-Y136 AromaticContact CD2-CZ 3.6Å; F76-Y136 AromaticContact CE2-CD1 3.95Å; F76-Y136 HydrophobicContact CE2-CD1 3.95Å; F76-Y136 HydrophobicContact CE2-CD2 4Å; F76-Y136 AromaticContact CE2-CE1 3.69Å; F76-Y136 HydrophobicContact CE2-CE1 3.69Å; F76-Y136 AromaticContact CE2-CE2 3.78Å; F76-Y136 HydrophobicContact CE2-CE2 3.78Å; F76-Y136 HydrophobicContact CE2-CG 4.11Å; F76-Y136 AromaticContact CE2-CZ 3.65Å; F76-Y136 HydrophobicContact CG-CE2 4.48Å; F76-Y136 HydrophobicContact CZ-CE1 4.43Å; C77-Y136 WeakPolarHBondContact CA-OH 3.06Å; C77-Y136 PolarHBondContact N-OH 2.71Å; E134-Y136 HydrophobicContact CB-CD1 4.34Å; E134-Y136 HydrophobicContact CG-CD1 3.69Å; E134-Y136 HydrophobicContact CG-CE1 3.58Å; E134-Y136 WeakPolarHBondContact OE1-CE1 3.25Å; Y136-G162 CarbonylContact O-C 3.42Å; Y136-G162 VanDerWaalsContact O-CA 3.24Å; Y136-G162 WeakPolarHBondContact O-CA 3.34Å; Y136-A163 PolarHBondContact N-O 2.91Å; Y136-A163 VanDerWaalsContact N-O 3.1Å; Y136-A163 PolarHBondContact O-N 2.86Å; Y136-C165 HydrophobicContact CE1-CB 3.72Å
137	E	97.9	Very high	96.9	Very high	27 Å²	27	30.4 Å²	30.4	13%	0.126	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	132.3	-172.5	-49.8	90.8	154.6	0	0	112	F139 L141 C144 Y209	E137-F139 PolarHBondContact O-N 3.39Å; E137-L141 VanDerWaalsContact OE1-CA 3.31Å; E137-L141 WeakPolarHBondContact OE1-CA 3.33Å; E137-L141 VanDerWaalsContact OE1-CB 3.32Å; E137-L141 WeakPolarHBondContact OE1-CB 3.25Å; E137-L141 VanDerWaalsContact OE1-CD1 3.29Å; E137-L141 WeakPolarHBondContact OE1-CD1 3.36Å; E137-C144 VanDerWaalsContact CB-SG 3.54Å; E137-C144 HydrophobicContact CG-CB 4.11Å; E137-C144 WeakPolarHBondContact CG-SG 3.12Å; E137-Y209 HydrophobicContact CG-CD1 4.24Å; E137-Y209 HydrophobicContact CG-CD2 3.57Å; E137-Y209 HydrophobicContact CG-CE1 4.49Å; E137-Y209 HydrophobicContact CG-CE2 3.85Å; E137-Y209 HydrophobicContact CG-CG 3.81Å; E137-Y209 WeakPolarHBondContact OE1-CE2 3.29Å; E137-Y209 PolarHBondContact OE1-OH 2.96Å
138	L	98	Very high	97	Very high	19 Å²	19	28.8 Å²	28.8	10%	0.099	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-32.9	171.8	-86.1	65.8	0	0	0	111.6	P66 A72 F76 Q161 A163	P66-L138 HydrophobicContact CG-CD2 3.93Å; A72-L138 WeakPolarHBondContact CB-O 3.27Å; F76-L138 HydrophobicContact CB-CG 4.4Å; F76-L138 HydrophobicContact CD1-CD1 4.42Å; F76-L138 HydrophobicContact CD1-CG 4.21Å; F76-L138 HydrophobicContact CD2-CD1 4.12Å; F76-L138 HydrophobicContact CD2-CG 4.21Å; F76-L138 HydrophobicContact CE1-CD1 4.37Å; F76-L138 HydrophobicContact CE2-CD1 4.07Å; F76-L138 HydrophobicContact CG-CD1 4.31Å; F76-L138 HydrophobicContact CG-CG 4Å; F76-L138 HydrophobicContact CZ-CD1 4.21Å; L138-Q161 HydrophobicContact CB-CB 4.49Å; L138-Q161 HydrophobicContact CD1-CB 4.26Å; L138-Q161 HydrophobicContact CD2-CB 3.99Å; L138-Q161 HydrophobicContact CG-CB 4.48Å; L138-Q161 PolarHBondContact N-O 2.9Å; L138-A163 HydrophobicContact CD1-CB 3.57Å
139	F	96.8	Very high	97.1	Very high	15 Å²	15	29.1 Å²	29.1	7%	0.066	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.3	26.6	-171.1	-50.9	-68.4	0	0	0	112.5	P66 C70 A72 E137 N143 C159 Q161	P66-F139 HydrophobicContact CB-CE2 3.99Å; P66-F139 HydrophobicContact CB-CZ 3.53Å; P66-F139 HydrophobicContact CG-CE2 4.39Å; P66-F139 HydrophobicContact CG-CZ 3.98Å; C70-F139 HydrophobicContact CB-CD1 4.03Å; C70-F139 HydrophobicContact CB-CD2 3.96Å; C70-F139 HydrophobicContact CB-CE1 3.75Å; C70-F139 HydrophobicContact CB-CE2 3.66Å; C70-F139 HydrophobicContact CB-CG 4.15Å; C70-F139 HydrophobicContact CB-CZ 3.57Å; C70-F139 WeakPolarHBondContact O-CE1 3.23Å; A72-F139 HydrophobicContact CB-CD1 3.94Å; E137-F139 PolarHBondContact O-N 3.39Å; F139-N143 HydrophobicContact CB-CB 4Å; F139-N143 WeakPolarHBondContact O-CB 3.23Å; F139-N143 PolarHBondContact O-ND2 2.83Å; F139-C159 HydrophobicContact CB-CB 4.39Å; F139-C159 HydrophobicContact CD2-CB 4Å; F139-C159 WeakPolarHBondContact CD2-O 3.49Å; F139-C159 HydrophobicContact CG-CB 4.31Å; F139-Q161 HydrophobicContact CE2-CB 4.47Å
140	Q	92.8	Very high	97	Very high	36 Å²	36	27.2 Å²	27.2	17%	0.168	14%	0.142	C	C	.	.			trans	66.9	157.3	-177.1	-60	79	40.2	0	0	115.1	Y74 W102 G142 N143	Y74-Q140 PolarHBondContact O-NE2 2.92Å; W102-Q140 HydrophobicContact CH2-CB 4.13Å; W102-Q140 HydrophobicContact CH2-CG 3.86Å; W102-Q140 HydrophobicContact CZ2-CB 4Å; W102-Q140 HydrophobicContact CZ2-CG 4.1Å; Q140-G142 PolarHBondContact O-N 3.32Å; Q140-N143 PolarHBondContact O-N 2.88Å
141	L	93.3	Very high	96.8	Very high	46 Å²	46	31.5 Å²	31.5	24%	0.241	17%	0.173	C	C	.	.	H	α-helix	trans	-49.9	-49.3	-173.2	-177.6	59.7	0	0	0	114.5	E137 N143 C144 T145 Y209 T211	E137-L141 VanDerWaalsContact OE1-CA 3.31Å; E137-L141 WeakPolarHBondContact OE1-CA 3.33Å; E137-L141 VanDerWaalsContact OE1-CB 3.32Å; E137-L141 WeakPolarHBondContact OE1-CB 3.25Å; E137-L141 VanDerWaalsContact OE1-CD1 3.29Å; E137-L141 WeakPolarHBondContact OE1-CD1 3.36Å; L141-N143 PolarHBondContact O-N 3.05Å; L141-N143 VanDerWaalsContact O-N 3.16Å; L141-C144 WeakPolarHBondContact O-CA 3.44Å; L141-C144 WeakPolarHBondContact O-CB 3.49Å; L141-C144 PolarHBondContact O-N 2.66Å; L141-T145 PolarHBondContact O-N 3.42Å; L141-T145 PolarHBondContact O-OG1 2.94Å; L141-Y209 HydrophobicContact CD1-CE1 3.72Å; L141-T211 HydrophobicContact CD1-CG2 4.02Å
142	G	92.7	Very high	96.6	Very high	46 Å²	46	36.5 Å²	36.5	47%	0.474	20%	0.197	S	C	.	.	H	α-helix	trans	-57.9	-35.4	-175.5	0	0	0	0	0	114	Q140 C144 T145 F146	Q140-G142 PolarHBondContact O-N 3.32Å; G142-C144 VanDerWaalsContact C-N 3.29Å; G142-T145 PolarHBondContact O-N 2.92Å; G142-F146 PolarHBondContact O-N 2.84Å
143	N	96.4	Very high	96.4	Very high	37 Å²	37	39.3 Å²	39.3	20%	0.198	21%	0.21	C	C	.	.	H	α-helix	trans	-75.1	-19.4	177.3	-74.4	-34	0	0	0	113.2	F139 Q140 L141 H148 C159	F139-N143 HydrophobicContact CB-CB 4Å; F139-N143 WeakPolarHBondContact O-CB 3.23Å; F139-N143 PolarHBondContact O-ND2 2.83Å; Q140-N143 PolarHBondContact O-N 2.88Å; L141-N143 PolarHBondContact O-N 3.05Å; L141-N143 VanDerWaalsContact O-N 3.16Å; N143-H148 PolarHBondContact OD1-CE1 3.09Å; N143-H148 VanDerWaalsContact OD1-CE1 3.26Å; N143-H148 PolarHBondContact OD1-NE2 2.86Å; N143-C159 HydrophobicContact CB-CB 4.14Å; N143-C159 CarbonylContact O-C 3.57Å
144	C	97.1	Very high	96.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-87.2	-28.7	173.1	-59.6	0	0	0	0	112.3	E137 L141 G142 N160 Y209	E137-C144 VanDerWaalsContact CB-SG 3.54Å; E137-C144 HydrophobicContact CG-CB 4.11Å; E137-C144 WeakPolarHBondContact CG-SG 3.12Å; L141-C144 WeakPolarHBondContact O-CA 3.44Å; L141-C144 WeakPolarHBondContact O-CB 3.49Å; L141-C144 PolarHBondContact O-N 2.66Å; G142-C144 VanDerWaalsContact C-N 3.29Å; C144-N160 HydrophobicContact CB-CB 4.18Å; C144-N160 VanDerWaalsContact SG-CA 3.59Å; C144-Y209 HydrophobicContact CB-CD1 3.79Å; C144-Y209 HydrophobicContact CB-CG 4.1Å
145	T	97.3	Very high	96.2	Very high	11 Å²	11	44.2 Å²	44.2	7%	0.067	24%	0.239	C	C	.	.	H	α-helix	trans	-87.3	-35.3	-177.7	-43.5	0	0	0	0	113.5	L141 G142 W158 T211 W212	L141-T145 PolarHBondContact O-N 3.42Å; L141-T145 PolarHBondContact O-OG1 2.94Å; G142-T145 PolarHBondContact O-N 2.92Å; T145-W158 WeakPolarHBondContact O-CZ3 3.43Å; T145-T211 HydrophobicContact CG2-CG2 4.26Å; T145-T211 PolarHBondContact OG1-OG1 3.34Å; T145-W212 HydrophobicContact CG2-CZ2 3.5Å
146	F	97.9	Very high	96.2	Very high	38 Å²	38	44.2 Å²	44.2	17%	0.167	24%	0.24	C	C	.	.	S	Bend	trans	-135	142.3	-176.7	-57.2	-66.2	0	0	0	112	G142 W212 Y292 F295	G142-F146 PolarHBondContact O-N 2.84Å; F146-W212 HydrophobicContact CE1-CZ2 4.49Å; F146-W212 AromaticContact CZ-CZ2 3.95Å; F146-W212 HydrophobicContact CZ-CZ2 3.95Å; F146-Y292 AromaticContact CD1-CD1 3.98Å; F146-Y292 HydrophobicContact CD1-CD1 3.98Å; F146-Y292 HydrophobicContact CD1-CE1 4.07Å; F146-F295 HydrophobicContact CB-CB 3.99Å; F146-F295 HydrophobicContact CD1-CB 3.84Å; F146-F295 HydrophobicContact CD1-CD1 4.04Å; F146-F295 AromaticContact CD1-CD2 3.99Å; F146-F295 HydrophobicContact CD1-CD2 3.99Å; F146-F295 AromaticContact CD1-CG 3.69Å; F146-F295 HydrophobicContact CD1-CG 3.69Å; F146-F295 HydrophobicContact CD2-CB 3.7Å; F146-F295 HydrophobicContact CD2-CD1 4Å; F146-F295 HydrophobicContact CD2-CG 4.06Å; F146-F295 HydrophobicContact CE1-CB 4.22Å; F146-F295 AromaticContact CE1-CD1 3.51Å; F146-F295 HydrophobicContact CE1-CD1 3.51Å; F146-F295 AromaticContact CE1-CD2 3.92Å; F146-F295 HydrophobicContact CE1-CD2 3.92Å; F146-F295 AromaticContact CE1-CE1 3.69Å; F146-F295 HydrophobicContact CE1-CE1 3.69Å; F146-F295 HydrophobicContact CE1-CE2 4.07Å; F146-F295 AromaticContact CE1-CG 3.62Å; F146-F295 HydrophobicContact CE1-CG 3.62Å; F146-F295 AromaticContact CE1-CZ 3.95Å; F146-F295 HydrophobicContact CE1-CZ 3.95Å; F146-F295 HydrophobicContact CE2-CB 4.1Å; F146-F295 AromaticContact CE2-CD1 3.47Å; F146-F295 HydrophobicContact CE2-CD1 3.47Å; F146-F295 VanDerWaalsContact CE2-CD1 3.47Å; F146-F295 HydrophobicContact CE2-CE1 4.12Å; F146-F295 AromaticContact CE2-CG 3.99Å; F146-F295 HydrophobicContact CE2-CG 3.99Å; F146-F295 HydrophobicContact CG-CB 3.55Å; F146-F295 HydrophobicContact CG-CD1 4.26Å; F146-F295 AromaticContact CG-CG 3.91Å; F146-F295 HydrophobicContact CG-CG 3.91Å; F146-F295 HydrophobicContact CZ-CB 4.34Å; F146-F295 AromaticContact CZ-CD1 3.2Å; F146-F295 HydrophobicContact CZ-CD1 3.2Å; F146-F295 HydrophobicContact CZ-CD2 4.46Å; F146-F295 AromaticContact CZ-CE1 3.41Å; F146-F295 HydrophobicContact CZ-CE1 3.41Å; F146-F295 VanDerWaalsContact CZ-CE1 3.41Å; F146-F295 AromaticContact CZ-CG 3.77Å; F146-F295 HydrophobicContact CZ-CG 3.77Å; F146-F295 HydrophobicContact CZ-CZ 4.13Å
147	P	98.1	Very high	96.2	Very high	13 Å²	13	44 Å²	44	8%	0.084	24%	0.239	C	C	.	.			trans	-81.6	164.7	-176.6	31.9	-31.1	0	0	0	112.9	P156 F157 W158 Y292	P147-P156 HydrophobicContact CB-CB 3.53Å; P147-P156 HydrophobicContact CG-CB 3.54Å; P147-F157 WeakPolarHBondContact CA-O 3.25Å; P147-W158 HydrophobicContact CB-CD2 3.79Å; P147-W158 HydrophobicContact CB-CE3 4.32Å; P147-W158 HydrophobicContact CB-CG 4.16Å; P147-W158 HydrophobicContact CB-CH2 4.41Å; P147-W158 HydrophobicContact CB-CZ2 3.85Å; P147-W158 HydrophobicContact CG-CH2 4.18Å; P147-W158 HydrophobicContact CG-CZ2 3.66Å; P147-Y292 HydrophobicContact CG-CD1 3.93Å; P147-Y292 HydrophobicContact CG-CD2 3.69Å; P147-Y292 HydrophobicContact CG-CE1 4.28Å; P147-Y292 HydrophobicContact CG-CE2 4.06Å; P147-Y292 HydrophobicContact CG-CG 3.61Å
148	H	97.7	Very high	96.2	Very high	46 Å²	46	43.8 Å²	43.8	21%	0.213	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-87.7	133.9	166.7	-64.8	-86.8	0	0	0	110.9	Y69 N143 F157	Y69-H148 HydrophobicContact CE1-CB 3.82Å; Y69-H148 AromaticContact CE1-CD2 3.93Å; Y69-H148 AromaticContact CE1-CG 3.66Å; Y69-H148 WeakPolarHBondContact OH-CB 3.36Å; Y69-H148 PolarHBondContact OH-ND1 3.01Å; N143-H148 PolarHBondContact OD1-CE1 3.09Å; N143-H148 VanDerWaalsContact OD1-CE1 3.26Å; N143-H148 PolarHBondContact OD1-NE2 2.86Å; H148-F157 PolarHBondContact N-O 2.84Å; H148-F157 PolarHBondContact O-N 2.86Å
149	L	96.8	Very high	96.2	Very high	65 Å²	65	43 Å²	43	34%	0.34	23%	0.234	S	C	.	.			trans	-97.4	98.3	174.9	-59.4	-177	0	0	0	109.7	P156 K289 Y293	L149-P156 HydrophobicContact CD2-CB 3.79Å; L149-P156 HydrophobicContact CD2-CG 3.9Å; L149-K289 WeakPolarHBondContact CD1-O 3.16Å; L149-K289 HydrophobicContact CD2-CG 4.17Å; L149-Y293 HydrophobicContact CD1-CD2 4.06Å
150	R	95.6	Very high	96.3	Very high	48 Å²	48	42.7 Å²	42.7	18%	0.181	23%	0.233	C	C	.	.			trans	-91.4	129.2	-179.3	-67.5	171.1	61	-178	-1.4	110.3	Y69 E152 M153 F157	Y69-R150 HydrophobicContact CE2-CG 4.14Å; R150-E152 IonicContact CZ-OE1 3.17Å; R150-E152 IonicContact NE-OE1 2.75Å; R150-E152 PolarHBondContact NE-OE1 3.27Å; R150-E152 IonicContact NH2-OE1 2.73Å; R150-E152 PolarHBondContact NH2-OE1 3.37Å; R150-E152 PolarHBondContact O-N 3.29Å; R150-M153 HydrophobicContact CB-CB 4.27Å; R150-M153 HydrophobicContact CB-CG 4.24Å; R150-M153 HydrophobicContact CB-SD 4.48Å; R150-M153 VanDerWaalsContact CZ-SD 3.55Å; R150-M153 PolarHBondContact NH1-SD 3.23Å; R150-M153 PolarHBondContact O-N 3Å; R150-F157 HydrophobicContact CG-CB 4.48Å
151	P	93.3	Very high	96.6	Very high	133 Å²	133	42.1 Å²	42.1	86%	0.864	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-26.7	-176.2	25.5	-34.4	0	0	0	113.6	M153	P151-M153 VanDerWaalsContact C-N 3.32Å
152	E	94.8	Very high	96.8	Very high	123 Å²	123	39.9 Å²	39.9	58%	0.575	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84	-1.9	178.7	73.2	-78.5	-171.7	0	0	114.1	R150	R150-E152 IonicContact CZ-OE1 3.17Å; R150-E152 IonicContact NE-OE1 2.75Å; R150-E152 PolarHBondContact NE-OE1 3.27Å; R150-E152 IonicContact NH2-OE1 2.73Å; R150-E152 PolarHBondContact NH2-OE1 3.37Å; R150-E152 PolarHBondContact O-N 3.29Å
153	M	95.1	Very high	97.1	Very high	58 Å²	58	38 Å²	38	29%	0.286	20%	0.198	S	C	.	.			trans	-122.1	136.7	-178.8	-61.8	-172.6	69.7	0	0	112.6	R150 P151 F157 K289	R150-M153 HydrophobicContact CB-CB 4.27Å; R150-M153 HydrophobicContact CB-CG 4.24Å; R150-M153 HydrophobicContact CB-SD 4.48Å; R150-M153 VanDerWaalsContact CZ-SD 3.55Å; R150-M153 PolarHBondContact NH1-SD 3.23Å; R150-M153 PolarHBondContact O-N 3Å; P151-M153 VanDerWaalsContact C-N 3.32Å; M153-F157 HydrophobicContact CE-CD2 3.8Å; M153-F157 HydrophobicContact CE-CE2 4.48Å; M153-F157 HydrophobicContact SD-CB 4.28Å; M153-F157 HydrophobicContact SD-CD2 3.78Å; M153-F157 HydrophobicContact SD-CG 4.29Å; M153-K289 PolarHBondContact O-NZ 3.25Å; M153-K289 VanDerWaalsContact O-NZ 3.1Å
154	D	95.1	Very high	97.2	Very high	115 Å²	115	37 Å²	37	62%	0.615	20%	0.195	S	C	*	.	S	Bend	trans	-73.2	-35.5	175.2	-73.7	-40.3	0	0	0	112.5	F276 K289	D154-F276 HydrophobicContact CB-CB 4.25Å; D154-F276 WeakPolarHBondContact CB-O 3.38Å; D154-F276 WeakPolarHBondContact O-CD1 3.5Å; D154-K289 WeakPolarHBondContact O-CE 3.48Å; D154-K289 PolarHBondContact O-NZ 3.19Å
155	A	97.4	Very high	97.3	Very high	13 Å²	13	37.1 Å²	37.1	11%	0.107	20%	0.196	C	C	.	.	S	Bend	trans	-93.2	146.6	176.7	0	0	0	0	0	112	E272 F276	A155-E272 HydrophobicContact CB-CB 4.39Å; A155-E272 HydrophobicContact CB-CG 4.39Å; A155-F276 HydrophobicContact CB-CB 3.99Å; A155-F276 HydrophobicContact CB-CD2 3.82Å; A155-F276 HydrophobicContact CB-CG 3.96Å
156	P	97.9	Very high	97.3	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.006	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-57.3	137	164.4	-21.5	32.6	0	0	0	111.5	P147 L149 F276 K289	P147-P156 HydrophobicContact CB-CB 3.53Å; P147-P156 HydrophobicContact CG-CB 3.54Å; L149-P156 HydrophobicContact CD2-CB 3.79Å; L149-P156 HydrophobicContact CD2-CG 3.9Å; P156-F276 HydrophobicContact CG-CE1 4.23Å; P156-F276 HydrophobicContact CG-CE2 4.45Å; P156-F276 HydrophobicContact CG-CZ 3.9Å; P156-K289 HydrophobicContact CG-CG 4.4Å
157	F	98.2	Very high	97.4	Very high	33 Å²	33	37.1 Å²	37.1	15%	0.145	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-102.4	129.2	-174.1	-172.6	-97.2	0	0	0	111.7	D67 Y69 P147 H148 R150 M153	D67-F157 HydrophobicContact CB-CE1 4.32Å; D67-F157 HydrophobicContact CB-CZ 3.65Å; Y69-F157 AromaticContact CD1-CD1 3.62Å; Y69-F157 HydrophobicContact CD1-CD1 3.62Å; Y69-F157 AromaticContact CD1-CE1 3.6Å; Y69-F157 HydrophobicContact CD1-CE1 3.6Å; Y69-F157 HydrophobicContact CE1-CD1 4Å; Y69-F157 HydrophobicContact CE1-CE1 4.43Å; Y69-F157 HydrophobicContact CG-CD1 4.42Å; Y69-F157 HydrophobicContact CG-CE1 4.2Å; P147-F157 WeakPolarHBondContact CA-O 3.25Å; H148-F157 PolarHBondContact N-O 2.84Å; H148-F157 PolarHBondContact O-N 2.86Å; R150-F157 HydrophobicContact CG-CB 4.48Å; M153-F157 HydrophobicContact CE-CD2 3.8Å; M153-F157 HydrophobicContact CE-CE2 4.48Å; M153-F157 HydrophobicContact SD-CB 4.28Å; M153-F157 HydrophobicContact SD-CD2 3.78Å; M153-F157 HydrophobicContact SD-CG 4.29Å
158	W	98.4	Very high	97.4	Very high	23 Å²	23	41.4 Å²	41.4	9%	0.087	21%	0.214	C	C	.	.			trans	-106.7	131.4	-173.9	-67.3	86.3	0	0	0	112.4	T145 P147 N160 Y292 F324 Y329	T145-W158 WeakPolarHBondContact O-CZ3 3.43Å; P147-W158 HydrophobicContact CB-CD2 3.79Å; P147-W158 HydrophobicContact CB-CE3 4.32Å; P147-W158 HydrophobicContact CB-CG 4.16Å; P147-W158 HydrophobicContact CB-CH2 4.41Å; P147-W158 HydrophobicContact CB-CZ2 3.85Å; P147-W158 HydrophobicContact CG-CH2 4.18Å; P147-W158 HydrophobicContact CG-CZ2 3.66Å; W158-N160 HydrophobicContact CB-CB 4.37Å; W158-N160 HydrophobicContact CE3-CB 4.22Å; W158-Y292 HydrophobicContact CH2-CE1 4.3Å; W158-Y292 HydrophobicContact CZ2-CE1 4.42Å; W158-Y292 HydrophobicContact CZ2-CE2 4.38Å; W158-Y292 AromaticContact CZ2-CZ 3.94Å; W158-F324 HydrophobicContact CB-CE1 4.38Å; W158-F324 AromaticContact CD1-CD1 3.97Å; W158-F324 AromaticContact CD1-CE1 3.53Å; W158-F324 AromaticContact CD1-CZ 3.6Å; W158-F324 AromaticContact CD2-CD1 3.6Å; W158-F324 HydrophobicContact CD2-CD1 3.6Å; W158-F324 AromaticContact CD2-CE1 3.8Å; W158-F324 HydrophobicContact CD2-CE1 3.8Å; W158-F324 HydrophobicContact CD2-CG 4.23Å; W158-F324 AromaticContact CE2-CD1 3.34Å; W158-F324 AromaticContact CE2-CE1 3.78Å; W158-F324 AromaticContact CE2-CG 3.49Å; W158-F324 VanDerWaalsContact CE2-CG 3.49Å; W158-F324 HydrophobicContact CE3-CD1 4.1Å; W158-F324 HydrophobicContact CG-CD1 4.01Å; W158-F324 AromaticContact CG-CE1 3.67Å; W158-F324 HydrophobicContact CG-CE1 3.67Å; W158-F324 HydrophobicContact CG-CZ 4.19Å; W158-F324 HydrophobicContact CH2-CB 3.6Å; W158-F324 HydrophobicContact CH2-CD1 4.16Å; W158-F324 HydrophobicContact CH2-CG 4.17Å; W158-F324 HydrophobicContact CZ2-CB 3.22Å; W158-F324 AromaticContact CZ2-CD1 3.7Å; W158-F324 HydrophobicContact CZ2-CD1 3.7Å; W158-F324 HydrophobicContact CZ2-CD2 4.26Å; W158-F324 AromaticContact CZ2-CG 3.49Å; W158-F324 HydrophobicContact CZ2-CG 3.49Å; W158-F324 VanDerWaalsContact CZ2-CG 3.49Å; W158-F324 HydrophobicContact CZ3-CB 4.47Å; W158-F324 HydrophobicContact CZ3-CD1 4.34Å; W158-F324 AromaticContact NE1-CD1 3.58Å; W158-F324 AromaticContact NE1-CD2 3.77Å; W158-F324 AromaticContact NE1-CE1 3.59Å; W158-F324 AromaticContact NE1-CE2 3.77Å; W158-F324 AromaticContact NE1-CG 3.65Å; W158-F324 AromaticContact NE1-CZ 3.65Å; W158-Y329 PolarHBondContact NE1-OH 2.93Å
159	C	98.2	Very high	97.4	Very high	4 Å²	4	40.4 Å²	40.4	3%	0.027	22%	0.216	C	C	.	.			trans	-110.2	53.2	169.2	-68.5	0	0	0	0	109.3	C70 F139 N143	C70-C159 WeakPolarHBondContact CA-SG 3.41Å; C70-C159 HydrophobicContact CB-CB 3.77Å; C70-C159 WeakPolarHBondContact CB-SG 3.46Å; C70-C159 VanDerWaalsContact SG-CA 3.53Å; C70-C159 WeakPolarHBondContact SG-CB 3.41Å; C70-C159 CovalentContact SG-SG 2.04Å; C70-C159 PolarHBondContact SG-SG 2.92Å; F139-C159 HydrophobicContact CB-CB 4.39Å; F139-C159 HydrophobicContact CD2-CB 4Å; F139-C159 WeakPolarHBondContact CD2-O 3.49Å; F139-C159 HydrophobicContact CG-CB 4.31Å; N143-C159 HydrophobicContact CB-CB 4.14Å; N143-C159 CarbonylContact O-C 3.57Å
160	N	98.3	Very high	97.4	Very high	8 Å²	8	38.3 Å²	38.3	4%	0.043	21%	0.205	C	C	.	.			trans	-101.1	21.9	-166.2	69.3	-22.6	0	0	0	114.4	C144 W158 G162 Y208 Y209	C144-N160 HydrophobicContact CB-CB 4.18Å; C144-N160 VanDerWaalsContact SG-CA 3.59Å; W158-N160 HydrophobicContact CB-CB 4.37Å; W158-N160 HydrophobicContact CE3-CB 4.22Å; N160-G162 PolarHBondContact O-N 2.86Å; N160-Y208 CarbonylContact O-C 3.57Å; N160-Y208 VanDerWaalsContact O-CA 3.29Å; N160-Y208 WeakPolarHBondContact O-CA 3.47Å; N160-Y209 PolarHBondContact O-N 3.23Å
161	Q	98.6	Very high	97.5	Very high	23 Å²	23	40.5 Å²	40.5	11%	0.107	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-69.5	134.5	177.3	-69.3	-161.5	27.8	0	0	111.2	P64 L138 F139 I207	P64-Q161 PolarHBondContact O-NE2 2.8Å; L138-Q161 HydrophobicContact CB-CB 4.49Å; L138-Q161 HydrophobicContact CD1-CB 4.26Å; L138-Q161 HydrophobicContact CD2-CB 3.99Å; L138-Q161 HydrophobicContact CG-CB 4.48Å; L138-Q161 PolarHBondContact N-O 2.9Å; F139-Q161 HydrophobicContact CE2-CB 4.47Å; Q161-I207 WeakPolarHBondContact CA-O 3.42Å
162	G	98.3	Very high	97.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.7	166.2	0	0	0	0	0	110.6	R63 W135 Y136 N160 I207	R63-G162 PolarHBondContact NH1-O 2.02Å; R63-G162 PolarHBondContact NH2-O 3.02Å; W135-G162 VanDerWaalsContact CZ2-O 3.24Å; W135-G162 WeakPolarHBondContact CZ2-O 3.17Å; Y136-G162 CarbonylContact O-C 3.42Å; Y136-G162 VanDerWaalsContact O-CA 3.24Å; Y136-G162 WeakPolarHBondContact O-CA 3.34Å; N160-G162 PolarHBondContact O-N 2.86Å; G162-I207 PolarHBondContact N-O 2.87Å
163	A	98.6	Very high	97.4	Very high	5 Å²	5	36 Å²	36	4%	0.041	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	162.8	-176.8	0	0	0	0	0	112.4	F76 W135 Y136 L138 N203	F76-A163 HydrophobicContact CE1-CB 4.13Å; F76-A163 HydrophobicContact CE2-CB 4.47Å; F76-A163 HydrophobicContact CZ-CB 3.72Å; F76-A163 WeakPolarHBondContact CZ-O 3.43Å; W135-A163 VanDerWaalsContact CA-O 3.29Å; W135-A163 WeakPolarHBondContact CA-O 3.27Å; Y136-A163 PolarHBondContact N-O 2.91Å; Y136-A163 VanDerWaalsContact N-O 3.1Å; Y136-A163 PolarHBondContact O-N 2.86Å; L138-A163 HydrophobicContact CD1-CB 3.57Å; A163-N203 WeakPolarHBondContact CA-OD1 3.41Å; A163-N203 VanDerWaalsContact CB-OD1 3.3Å; A163-N203 WeakPolarHBondContact CB-OD1 3.4Å
164	A	98.6	Very high	97.2	Very high	16 Å²	16	36 Å²	36	13%	0.132	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	140.2	172.7	0	0	0	0	0	110.8	E134 V199 N203 F234	E134-A164 CarbonylContact O-C 3.49Å; E134-A164 VanDerWaalsContact O-CA 3.32Å; E134-A164 WeakPolarHBondContact O-CA 3.4Å; A164-V199 HydrophobicContact CB-CG1 4.07Å; A164-N203 HydrophobicContact CB-CB 4.33Å; A164-N203 PolarHBondContact N-OD1 3.1Å; A164-F234 HydrophobicContact CB-CE2 4.36Å; A164-F234 HydrophobicContact CB-CZ 4.29Å
165	C	98.7	Very high	97.2	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.02	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	136.1	170.5	178.6	0	0	0	0	108.9	F76 C77 M133 E134 Y136	F76-C165 HydrophobicContact CZ-CB 4.14Å; C77-C165 WeakPolarHBondContact CA-SG 3.4Å; C77-C165 HydrophobicContact CB-CB 3.64Å; C77-C165 WeakPolarHBondContact CB-SG 3.47Å; C77-C165 WeakPolarHBondContact SG-CA 3.19Å; C77-C165 WeakPolarHBondContact SG-CB 3.5Å; C77-C165 CovalentContact SG-SG 2.02Å; C77-C165 PolarHBondContact SG-SG 3.08Å; M133-C165 WeakPolarHBondContact CA-O 3.28Å; E134-C165 HydrophobicContact CG-CB 3.8Å; E134-C165 PolarHBondContact N-O 3.12Å; E134-C165 PolarHBondContact O-N 3.24Å; Y136-C165 HydrophobicContact CE1-CB 3.72Å
166	F	98.8	Very high	96.9	Very high	12 Å²	12	35.8 Å²	35.8	5%	0.053	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	132.1	178	-177.5	-84.7	0	0	0	108.8	G80 S81 I83 P84 F122 Y131 T132 M133 F192	G80-F166 CarbonylContact C-O 3.57Å; G80-F166 WeakPolarHBondContact CA-O 3.43Å; S81-F166 PolarHBondContact N-O 3.21Å; S81-F166 VanDerWaalsContact O-O 3.12Å; I83-F166 HydrophobicContact CB-CD1 4.46Å; I83-F166 HydrophobicContact CD1-CD2 4.46Å; I83-F166 HydrophobicContact CG1-CB 3.93Å; I83-F166 HydrophobicContact CG1-CD1 4.01Å; I83-F166 HydrophobicContact CG1-CD2 3.96Å; I83-F166 HydrophobicContact CG1-CE2 4.48Å; I83-F166 HydrophobicContact CG1-CG 3.7Å; I83-F166 HydrophobicContact CG2-CE2 4.28Å; I83-F166 HydrophobicContact CG2-CZ 4.26Å; P84-F166 VanDerWaalsContact CD-CE1 3.48Å; F122-F166 HydrophobicContact CD2-CE2 4.29Å; Y131-F166 AromaticContact CD1-CE1 3.46Å; Y131-F166 HydrophobicContact CD1-CE1 3.46Å; Y131-F166 VanDerWaalsContact CD1-CE1 3.46Å; Y131-F166 AromaticContact CD1-CZ 3.53Å; Y131-F166 HydrophobicContact CD1-CZ 3.53Å; Y131-F166 HydrophobicContact CD2-CZ 4.21Å; Y131-F166 HydrophobicContact CE1-CE1 4.19Å; Y131-F166 HydrophobicContact CE1-CZ 4.39Å; Y131-F166 AromaticContact CG-CE1 3.88Å; Y131-F166 HydrophobicContact CG-CE1 3.88Å; Y131-F166 HydrophobicContact CG-CE2 4.31Å; Y131-F166 AromaticContact CG-CZ 3.42Å; Y131-F166 HydrophobicContact CG-CZ 3.42Å; Y131-F166 VanDerWaalsContact CG-CZ 3.42Å; T132-F166 WeakPolarHBondContact O-CA 3.42Å; M133-F166 HydrophobicContact CB-CD2 3.89Å; M133-F166 HydrophobicContact CG-CD2 4.02Å; M133-F166 HydrophobicContact SD-CD2 4.14Å; F166-F192 HydrophobicContact CE2-CE2 4.49Å; F166-F192 HydrophobicContact CE2-CZ 4.06Å; F166-F192 HydrophobicContact CZ-CZ 4.09Å
167	F	98.5	Very high	96.3	Very high	37 Å²	37	42.2 Å²	42.2	16%	0.162	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	157.8	-179.5	55.8	-87.7	0	0	0	112	T79 Y131 T132 E134	T79-F167 VanDerWaalsContact O-CB 3.25Å; T79-F167 WeakPolarHBondContact O-CB 3.34Å; Y131-F167 CarbonylContact C-O 3.57Å; Y131-F167 VanDerWaalsContact CA-O 3.25Å; Y131-F167 WeakPolarHBondContact CA-O 3.47Å; Y131-F167 WeakPolarHBondContact CB-O 3.45Å; T132-F167 VanDerWaalsContact CB-CZ 3.47Å; T132-F167 HydrophobicContact CG2-CE1 3.93Å; T132-F167 HydrophobicContact CG2-CE2 4.13Å; T132-F167 HydrophobicContact CG2-CZ 3.52Å; T132-F167 PolarHBondContact N-O 3.4Å; T132-F167 PolarHBondContact O-N 2.82Å; E134-F167 HydrophobicContact CG-CE1 4.29Å; E134-F167 WeakPolarHBondContact OE1-CE1 3.5Å
168	E	98.2	Very high	95.7	Very high	104 Å²	104	43.5 Å²	43.5	49%	0.486	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	139	175.6	-171.2	169.2	168.2	0	0	110.7	K129 Y131	K129-E168 WeakPolarHBondContact CD-OE1 3.3Å; K129-E168 WeakPolarHBondContact CE-OE1 3.37Å; K129-E168 VanDerWaalsContact NZ-CD 3.31Å; K129-E168 IonicContact NZ-OE1 2.83Å; K129-E168 PolarHBondContact NZ-OE1 3.16Å; K129-E168 IonicContact NZ-OE2 2.66Å; K129-E168 PolarHBondContact NZ-OE2 3.37Å; Y131-E168 HydrophobicContact CD1-CB 4.11Å; Y131-E168 HydrophobicContact CD1-CG 4.36Å; Y131-E168 HydrophobicContact CE1-CB 4.12Å; Y131-E168 HydrophobicContact CE1-CG 4.09Å
169	G	97.9	Very high	95.3	Very high	25 Å²	25	43.5 Å²	43.5	26%	0.258	23%	0.232	S	C	.	.			trans	103.9	140.2	-177.6	0	0	0	0	0	113.6	N130 T132	N130-G169 PolarHBondContact O-N 3.26Å; N130-G169 VanDerWaalsContact OD1-C 3.29Å; N130-G169 WeakPolarHBondContact OD1-CA 3.02Å; T132-G169 PolarHBondContact N-O 3.32Å; T132-G169 PolarHBondContact OG1-O 2.96Å
170	I	97.9	Very high	95	Very high	20 Å²	20	45.4 Å²	45.4	10%	0.103	24%	0.243	C	C	.	.			trans	-114.5	119.6	159.6	-60.9	175.3	0	0	0	106.3	F95 L97 N130 D172 L181	F95-I170 HydrophobicContact CD2-CD1 4.25Å; L97-I170 HydrophobicContact CD1-CG2 4.36Å; L97-I170 HydrophobicContact CD2-CG2 4.13Å; N130-I170 HydrophobicContact CB-CD1 3.86Å; N130-I170 HydrophobicContact CB-CG1 3.98Å; N130-I170 PolarHBondContact OD1-N 3.38Å; I170-D172 PolarHBondContact O-N 2.95Å; I170-D172 VanDerWaalsContact O-N 3.13Å; I170-L181 HydrophobicContact CG2-CD1 3.78Å
171	D	95.8	Very high	95	Very high	95 Å²	95	46.8 Å²	46.8	51%	0.508	25%	0.251	S	S	.	.			trans	-80.1	89.9	175.1	-173.4	-16.9	0	0	0	110	V173 H174 W175	D171-V173 PolarHBondContact O-N 2.98Å; D171-V173 PolarHBondContact OD1-N 2.82Å; D171-V173 VanDerWaalsContact OD1-N 3.15Å; D171-H174 HydrophobicContact CB-CB 3.97Å; D171-H174 PolarHBondContact O-N 2.81Å; D171-H174 PolarHBondContact OD1-N 3Å; D171-W175 PolarHBondContact O-N 3.28Å
172	D	93.8	Very high	94.9	Very high	68 Å²	68	47.6 Å²	47.6	36%	0.364	26%	0.257	S	S	.	.	H	α-helix	trans	-53.2	-35.4	-178.9	-88.2	46.8	0	0	0	113.4	I170 K176	I170-D172 PolarHBondContact O-N 2.95Å; I170-D172 VanDerWaalsContact O-N 3.13Å; D172-K176 HydrophobicContact CB-CD 4.41Å; D172-K176 WeakPolarHBondContact O-CB 3.44Å; D172-K176 VanDerWaalsContact O-CG 3.27Å; D172-K176 WeakPolarHBondContact O-CG 2.98Å; D172-K176 PolarHBondContact O-N 3.49Å; D172-K176 IonicContact OD2-NZ 2.69Å; D172-K176 PolarHBondContact OD2-NZ 3.39Å
173	V	92.4	Very high	94.9	Very high	93 Å²	93	50.2 Å²	50.2	56%	0.564	27%	0.268	S	S	*	.	H	α-helix	trans	-68.3	-51.5	-178.4	176.7	0	0	0	0	109.2	D171 W175 K176 E177	D171-V173 PolarHBondContact O-N 2.98Å; D171-V173 PolarHBondContact OD1-N 2.82Å; D171-V173 VanDerWaalsContact OD1-N 3.15Å; V173-W175 VanDerWaalsContact C-N 3.28Å; V173-W175 PolarHBondContact O-N 2.78Å; V173-K176 PolarHBondContact O-N 3.22Å; V173-E177 VanDerWaalsContact O-CB 3.31Å; V173-E177 WeakPolarHBondContact O-CB 3.45Å; V173-E177 PolarHBondContact O-N 2.98Å
174	H	92.1	Very high	94.9	Very high	58 Å²	58	50 Å²	50	27%	0.269	27%	0.266	S	S	.	.	H	α-helix	trans	-54.4	-42.8	179.2	177.8	50.6	0	0	0	112.8	E103 D171	E103-H174 IonicContact OE2-CE1 3.03Å; E103-H174 IonicContact OE2-ND1 3.82Å; E103-H174 PolarHBondContact OE2-ND1 2.98Å; D171-H174 HydrophobicContact CB-CB 3.97Å; D171-H174 PolarHBondContact O-N 2.81Å; D171-H174 PolarHBondContact OD1-N 3Å
175	W	93.9	Very high	94.9	Very high	8 Å²	8	49.3 Å²	49.3	3%	0.03	26%	0.261	C	S	.	.	H	α-helix	trans	-85.8	-20.8	-176.1	-57.2	115.6	0	0	0	114.5	L97 A99 H117 A119 T132 D171 V173 G179 T180 L181	L97-W175 HydrophobicContact CB-CD2 3.71Å; L97-W175 HydrophobicContact CB-CE3 3.72Å; L97-W175 HydrophobicContact CB-CG 4.23Å; L97-W175 HydrophobicContact CB-CH2 4.22Å; L97-W175 HydrophobicContact CB-CZ2 4.21Å; L97-W175 HydrophobicContact CB-CZ3 3.98Å; L97-W175 HydrophobicContact CD1-CD2 4.35Å; L97-W175 HydrophobicContact CD1-CZ2 4.18Å; L97-W175 HydrophobicContact CD2-CB 4.36Å; L97-W175 HydrophobicContact CD2-CD2 4.38Å; L97-W175 HydrophobicContact CD2-CG 4.02Å; L97-W175 HydrophobicContact CG-CD2 4.36Å; A99-W175 HydrophobicContact CB-CE3 3.59Å; A99-W175 HydrophobicContact CB-CZ3 3.75Å; H117-W175 AromaticContact CD2-CH2 3.94Å; A119-W175 HydrophobicContact CB-CH2 3.61Å; A119-W175 HydrophobicContact CB-CZ2 4Å; A119-W175 HydrophobicContact CB-CZ3 4.35Å; T132-W175 HydrophobicContact CG2-CZ2 4.12Å; D171-W175 PolarHBondContact O-N 3.28Å; V173-W175 VanDerWaalsContact C-N 3.28Å; V173-W175 PolarHBondContact O-N 2.78Å; W175-G179 CarbonylContact O-C 3.6Å; W175-G179 VanDerWaalsContact O-CA 3.3Å; W175-G179 WeakPolarHBondContact O-CA 3.25Å; W175-T180 CarbonylContact O-C 3.53Å; W175-T180 PolarHBondContact O-N 2.94Å; W175-L181 HydrophobicContact CB-CB 3.98Å; W175-L181 HydrophobicContact CB-CD1 4.08Å; W175-L181 HydrophobicContact CB-CG 4.49Å
176	K	91	Very high	94.9	Very high	115 Å²	115	52 Å²	52	50%	0.5	28%	0.278	S	S	.	.	H	α-helix	trans	-101.6	-28.5	-176.2	-70.7	174.6	171.7	164.2	0	114.3	D172 V173 L181	D172-K176 HydrophobicContact CB-CD 4.41Å; D172-K176 WeakPolarHBondContact O-CB 3.44Å; D172-K176 VanDerWaalsContact O-CG 3.27Å; D172-K176 WeakPolarHBondContact O-CG 2.98Å; D172-K176 PolarHBondContact O-N 3.49Å; D172-K176 IonicContact OD2-NZ 2.69Å; D172-K176 PolarHBondContact OD2-NZ 3.39Å; V173-K176 PolarHBondContact O-N 3.22Å; K176-L181 HydrophobicContact CG-CB 3.82Å; K176-L181 HydrophobicContact CG-CD1 4.34Å
177	E	87.1	Confident	94.9	Very high	137 Å²	137	51.6 Å²	51.6	64%	0.64	28%	0.276	S	S	*	.	H	α-helix	trans	-63.4	-52.7	-172.7	-173.1	165	-168.1	0	0	111.3	V173	V173-E177 VanDerWaalsContact O-CB 3.31Å; V173-E177 WeakPolarHBondContact O-CB 3.45Å; V173-E177 PolarHBondContact O-N 2.98Å
178	N	84.8	Confident	94.9	Very high	59 Å²	59	51.7 Å²	51.7	32%	0.316	28%	0.281	S	S	.	.	S	Bend	trans	-124.3	16.4	-178.9	-67.7	-48.6	0	0	0	113.4	P100 E103 D108	P100-N178 WeakPolarHBondContact CD-O 3.41Å; P100-N178 HydrophobicContact CG-CB 3.83Å; E103-N178 PolarHBondContact OE1-ND2 3.21Å; D108-N178 PolarHBondContact OD1-ND2 3.42Å
179	G	89.4	Confident	94.9	Very high	24 Å²	24	46.7 Å²	46.7	25%	0.247	26%	0.258	C	S	.	.	S	Bend	trans	-132.6	-151.7	-164.7	0	0	0	0	0	115	Q98 W175	Q98-G179 CarbonylContact O-C 3.6Å; Q98-G179 WeakPolarHBondContact O-CA 3.44Å; W175-G179 CarbonylContact O-C 3.6Å; W175-G179 VanDerWaalsContact O-CA 3.3Å; W175-G179 WeakPolarHBondContact O-CA 3.25Å
180	T	93.1	Very high	94.9	Very high	44 Å²	44	49.6 Å²	49.6	27%	0.27	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	127	171.7	-58	0	0	0	0	110.3	L97 Q98 W175 V182	L97-T180 CarbonylContact C-O 3.13Å; L97-T180 WeakPolarHBondContact CA-O 3.37Å; Q98-T180 PolarHBondContact N-O 2.93Å; Q98-T180 PolarHBondContact O-N 3.39Å; W175-T180 CarbonylContact O-C 3.53Å; W175-T180 PolarHBondContact O-N 2.94Å; T180-V182 HydrophobicContact CG2-CB 4.16Å; T180-V182 HydrophobicContact CG2-CG1 3.78Å
181	L	97.4	Very high	94.9	Very high	37 Å²	37	50.6 Å²	50.6	19%	0.194	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	106.3	165.7	-173.6	161.9	0	0	0	107.7	F95 L97 I170 W175 K176	F95-L181 HydrophobicContact CD1-CD2 3.84Å; F95-L181 HydrophobicContact CE1-CD2 4.29Å; L97-L181 HydrophobicContact CD2-CB 4.25Å; L97-L181 HydrophobicContact CD2-CD1 4.05Å; L97-L181 HydrophobicContact CD2-CG 3.68Å; I170-L181 HydrophobicContact CG2-CD1 3.78Å; W175-L181 HydrophobicContact CB-CB 3.98Å; W175-L181 HydrophobicContact CB-CD1 4.08Å; W175-L181 HydrophobicContact CB-CG 4.49Å; K176-L181 HydrophobicContact CG-CB 3.82Å; K176-L181 HydrophobicContact CG-CD1 4.34Å
182	V	97.6	Very high	95.1	Very high	40 Å²	40	46 Å²	46	24%	0.242	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	133.3	-177.3	66.4	0	0	0	0	111.6	F95 R96 T180 V184 I252	F95-V182 CarbonylContact C-O 3.57Å; F95-V182 VanDerWaalsContact CA-O 3.28Å; F95-V182 WeakPolarHBondContact CA-O 3.39Å; R96-V182 HydrophobicContact CB-CG1 4.03Å; R96-V182 PolarHBondContact N-O 3.26Å; R96-V182 PolarHBondContact O-N 3.03Å; R96-V182 VanDerWaalsContact O-N 3.09Å; T180-V182 HydrophobicContact CG2-CB 4.16Å; T180-V182 HydrophobicContact CG2-CG1 3.78Å; V182-V184 HydrophobicContact CG1-CG1 4.2Å; V182-V184 PolarHBondContact O-N 2.97Å; V182-I252 HydrophobicContact CG2-CD1 3.88Å
183	K	98.1	Very high	95.3	Very high	54 Å²	54	44 Å²	44	24%	0.235	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	125.4	173.2	-176.8	177.1	177.6	174.9	0	109.1	E93 V94 F95 A185 T186 K250	E93-K183 HydrophobicContact CB-CD 4.26Å; E93-K183 HydrophobicContact CG-CD 4.4Å; E93-K183 IonicContact OE1-NZ 2.72Å; E93-K183 PolarHBondContact OE1-NZ 3.42Å; V94-K183 CarbonylContact O-C 3.56Å; V94-K183 WeakPolarHBondContact O-CA 3.24Å; F95-K183 HydrophobicContact CD1-CB 3.9Å; F95-K183 HydrophobicContact CE1-CB 3.74Å; F95-K183 HydrophobicContact CE1-CG 4.38Å; F95-K183 HydrophobicContact CZ-CB 4.46Å; K183-A185 VanDerWaalsContact CE-O 3.31Å; K183-A185 WeakPolarHBondContact CE-O 3.44Å; K183-T186 WeakPolarHBondContact CE-OG1 3.24Å; K183-T186 PolarHBondContact NZ-OG1 2.96Å; K183-K250 WeakPolarHBondContact O-CD 3.26Å
184	V	98.2	Very high	95.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-25.7	-179	-65.7	0	0	0	0	113.4	V94 R96 V182 F239 F249 K250 L348	V94-V184 HydrophobicContact CB-CG2 4.38Å; V94-V184 HydrophobicContact CG1-CG2 4.07Å; V94-V184 WeakPolarHBondContact O-CG2 3.48Å; V94-V184 PolarHBondContact O-N 2.61Å; R96-V184 HydrophobicContact CB-CG1 3.65Å; V182-V184 HydrophobicContact CG1-CG1 4.2Å; V182-V184 PolarHBondContact O-N 2.97Å; V184-F239 HydrophobicContact CG2-CE1 4.19Å; V184-F239 HydrophobicContact CG2-CZ 4Å; V184-F249 HydrophobicContact CB-CD1 4.31Å; V184-F249 HydrophobicContact CG2-CD1 4.24Å; V184-F249 HydrophobicContact CG2-CE1 4.31Å; V184-F249 CarbonylContact O-C 3.51Å; V184-F249 WeakPolarHBondContact O-CA 3.43Å; V184-K250 PolarHBondContact O-N 3.37Å; V184-L348 HydrophobicContact CB-CD1 3.96Å; V184-L348 HydrophobicContact CG1-CD1 3.97Å
185	A	98.3	Very high	95.9	Very high	2 Å²	2	40.3 Å²	40.3	2%	0.017	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	171	177.8	0	0	0	0	0	111.7	V94 K183 E248 F249	V94-A185 HydrophobicContact CB-CB 4.2Å; V94-A185 HydrophobicContact CG2-CB 4.43Å; V94-A185 PolarHBondContact N-O 3.42Å; V94-A185 PolarHBondContact O-N 3.37Å; K183-A185 VanDerWaalsContact CE-O 3.31Å; K183-A185 WeakPolarHBondContact CE-O 3.44Å; A185-E248 WeakPolarHBondContact CB-O 3.36Å; A185-F249 HydrophobicContact CB-CD1 3.92Å; A185-F249 HydrophobicContact CB-CE1 4.06Å
186	T	98.5	Very high	96.1	Very high	61 Å²	61	40.7 Å²	40.7	37%	0.374	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	132.4	158.5	-52.1	0	0	0	0	106.5	D91 I92 K183	D91-T186 HydrophobicContact CB-CG2 4.02Å; I92-T186 CarbonylContact O-C 3.48Å; I92-T186 WeakPolarHBondContact O-CA 3.26Å; K183-T186 WeakPolarHBondContact CE-OG1 3.24Å; K183-T186 PolarHBondContact NZ-OG1 2.96Å
187	I	98.6	Very high	96.5	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	157.4	179.1	67.1	176.3	0	0	0	109.8	I92 V94 M191 F192 L242 A247	I92-I187 HydrophobicContact CB-CG1 3.87Å; I92-I187 HydrophobicContact CG2-CG1 4.43Å; I92-I187 PolarHBondContact N-O 3.22Å; I92-I187 PolarHBondContact O-N 3.18Å; V94-I187 HydrophobicContact CG2-CB 4.48Å; V94-I187 HydrophobicContact CG2-CD1 3.88Å; V94-I187 HydrophobicContact CG2-CG1 3.83Å; V94-I187 HydrophobicContact CG2-CG2 3.99Å; I187-M191 HydrophobicContact CB-CB 4.07Å; I187-M191 HydrophobicContact CB-SD 3.93Å; I187-M191 HydrophobicContact CD1-CB 4.41Å; I187-M191 HydrophobicContact CG2-SD 4.25Å; I187-F192 HydrophobicContact CD1-CB 4.12Å; I187-L242 HydrophobicContact CD1-CD1 4.36Å; I187-L242 HydrophobicContact CD1-CD2 3.7Å; I187-L242 HydrophobicContact CG2-CD2 4.48Å; I187-A247 HydrophobicContact CG2-CB 3.64Å
188	S	98.4	Very high	97	Very high	38 Å²	38	37.5 Å²	37.5	27%	0.266	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	156.5	172.5	66.6	0	0	0	0	111.7	D90 N190 M191 F192	D90-S188 CarbonylContact O-C 3.59Å; D90-S188 VanDerWaalsContact O-CA 3.27Å; D90-S188 WeakPolarHBondContact O-CA 3.28Å; S188-N190 PolarHBondContact O-N 3.45Å; S188-M191 WeakPolarHBondContact O-CB 3.48Å; S188-M191 PolarHBondContact O-N 3.41Å; S188-M191 WeakPolarHBondContact OG-CG 3.28Å; S188-M191 PolarHBondContact OG-N 2.92Å; S188-F192 PolarHBondContact O-N 2.93Å
189	G	98.5	Very high	97.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-59.2	-29.9	172.4	0	0	0	0	0	112.9	E87 D90 F192 N193	E87-G189 VanDerWaalsContact O-CA 3.3Å; E87-G189 WeakPolarHBondContact O-CA 3.37Å; D90-G189 PolarHBondContact O-N 3.27Å; G189-F192 WeakPolarHBondContact O-CB 3.36Å; G189-F192 PolarHBondContact O-N 3.29Å; G189-N193 WeakPolarHBondContact O-CB 3.44Å; G189-N193 PolarHBondContact O-N 2.9Å; G189-N193 PolarHBondContact O-ND2 3.48Å
190	N	98.4	Very high	98.1	Very high	86 Å²	86	40.8 Å²	40.8	46%	0.46	21%	0.206	S	C	.	.	H	α-helix	trans	-64.2	-40.7	171.2	-173	45.2	0	0	0	113	G88 S188 F192 N193 Q194	G88-N190 PolarHBondContact O-N 3.47Å; S188-N190 PolarHBondContact O-N 3.45Å; N190-F192 VanDerWaalsContact C-N 3.35Å; N190-N193 PolarHBondContact O-N 2.93Å; N190-Q194 PolarHBondContact ND2-NE2 3.48Å; N190-Q194 VanDerWaalsContact ND2-NE2 3.18Å; N190-Q194 WeakPolarHBondContact O-CG 3.35Å; N190-Q194 PolarHBondContact O-N 3.22Å; N190-Q194 VanDerWaalsContact O-N 3.1Å
191	M	98.5	Very high	98.4	Very high	40 Å²	40	44.7 Å²	44.7	20%	0.197	22%	0.222	C	C	.	.	H	α-helix	trans	-64.2	-41.4	173.2	-72.2	174.8	-179.9	0	0	111.1	I187 S188 N193 Q194 M195 F245 A247	I187-M191 HydrophobicContact CB-CB 4.07Å; I187-M191 HydrophobicContact CB-SD 3.93Å; I187-M191 HydrophobicContact CD1-CB 4.41Å; I187-M191 HydrophobicContact CG2-SD 4.25Å; S188-M191 WeakPolarHBondContact O-CB 3.48Å; S188-M191 PolarHBondContact O-N 3.41Å; S188-M191 WeakPolarHBondContact OG-CG 3.28Å; S188-M191 PolarHBondContact OG-N 2.92Å; M191-N193 PolarHBondContact O-N 2.92Å; M191-Q194 PolarHBondContact O-N 3.5Å; M191-M195 WeakPolarHBondContact O-CB 3.42Å; M191-M195 PolarHBondContact O-N 3.05Å; M191-F245 WeakPolarHBondContact CE-O 3.42Å; M191-F245 HydrophobicContact CG-CB 4.26Å; M191-A247 HydrophobicContact SD-CB 4.43Å
192	F	98.7	Very high	98.4	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-58	-47.6	174.7	-179.6	-84.9	0	0	0	111.5	I83 M86 I92 F122 F166 I187 S188 G189 N190 Q194 M195 A196	I83-F192 HydrophobicContact CG2-CE1 3.66Å; I83-F192 HydrophobicContact CG2-CZ 3.75Å; M86-F192 HydrophobicContact CB-CD1 4.24Å; M86-F192 HydrophobicContact CE-CD1 4.23Å; M86-F192 HydrophobicContact CE-CE1 3.78Å; M86-F192 HydrophobicContact CE-CE2 4.26Å; M86-F192 HydrophobicContact CE-CZ 3.79Å; M86-F192 HydrophobicContact CG-CB 4.3Å; M86-F192 HydrophobicContact CG-CD1 3.33Å; M86-F192 HydrophobicContact CG-CE1 3.74Å; M86-F192 HydrophobicContact CG-CG 3.86Å; I92-F192 HydrophobicContact CG1-CB 4.25Å; I92-F192 HydrophobicContact CG2-CD2 4.21Å; F122-F192 HydrophobicContact CB-CE2 4.15Å; F122-F192 AromaticContact CD1-CD2 3.9Å; F122-F192 HydrophobicContact CD1-CD2 3.9Å; F122-F192 AromaticContact CD1-CE2 3.86Å; F122-F192 HydrophobicContact CD1-CE2 3.86Å; F122-F192 HydrophobicContact CD2-CE2 4.01Å; F122-F192 HydrophobicContact CE1-CD2 4.18Å; F122-F192 HydrophobicContact CE1-CE2 4.23Å; F122-F192 HydrophobicContact CE2-CE2 4.35Å; F122-F192 HydrophobicContact CG-CD2 4.23Å; F122-F192 AromaticContact CG-CE2 3.73Å; F122-F192 HydrophobicContact CG-CE2 3.73Å; F122-F192 HydrophobicContact CZ-CE2 4.45Å; F166-F192 HydrophobicContact CE2-CE2 4.49Å; F166-F192 HydrophobicContact CE2-CZ 4.06Å; F166-F192 HydrophobicContact CZ-CZ 4.09Å; I187-F192 HydrophobicContact CD1-CB 4.12Å; S188-F192 PolarHBondContact O-N 2.93Å; G189-F192 WeakPolarHBondContact O-CB 3.36Å; G189-F192 PolarHBondContact O-N 3.29Å; N190-F192 VanDerWaalsContact C-N 3.35Å; F192-Q194 VanDerWaalsContact C-N 3.32Å; F192-Q194 PolarHBondContact O-N 3.42Å; F192-M195 HydrophobicContact CD2-CE 3.44Å; F192-M195 VanDerWaalsContact CD2-CE 3.44Å; F192-M195 HydrophobicContact CE2-CE 3.65Å; F192-M195 HydrophobicContact CG-CE 4Å; F192-M195 HydrophobicContact CZ-CE 4.34Å; F192-M195 CarbonylContact O-C 3.15Å; F192-M195 WeakPolarHBondContact O-CB 3.29Å; F192-M195 PolarHBondContact O-N 3.42Å; F192-A196 WeakPolarHBondContact O-CB 3.36Å; F192-A196 PolarHBondContact O-N 3.19Å
193	N	98.6	Very high	98.4	Very high	26 Å²	26	42.8 Å²	42.8	14%	0.139	21%	0.21	C	C	.	.	H	α-helix	trans	-63.1	-35.7	179.4	-68.1	-25.8	0	0	0	112.8	V85 M86 G189 N190 M191 K197	V85-N193 WeakPolarHBondContact CA-OD1 3.15Å; M86-N193 PolarHBondContact N-OD1 3.16Å; M86-N193 PolarHBondContact O-ND2 3.11Å; G189-N193 WeakPolarHBondContact O-CB 3.44Å; G189-N193 PolarHBondContact O-N 2.9Å; G189-N193 PolarHBondContact O-ND2 3.48Å; N190-N193 PolarHBondContact O-N 2.93Å; M191-N193 PolarHBondContact O-N 2.92Å; N193-K197 WeakPolarHBondContact O-CG 3.31Å; N193-K197 PolarHBondContact O-N 2.93Å
194	Q	98.6	Very high	98.4	Very high	72 Å²	72	43.8 Å²	43.8	34%	0.336	22%	0.216	S	C	.	.	H	α-helix	trans	-68.8	-42.8	173.8	-71.9	178.6	60.5	0	0	111.8	N190 M191 F192 K197 W198 F245	N190-Q194 PolarHBondContact ND2-NE2 3.48Å; N190-Q194 VanDerWaalsContact ND2-NE2 3.18Å; N190-Q194 WeakPolarHBondContact O-CG 3.35Å; N190-Q194 PolarHBondContact O-N 3.22Å; N190-Q194 VanDerWaalsContact O-N 3.1Å; M191-Q194 PolarHBondContact O-N 3.5Å; F192-Q194 VanDerWaalsContact C-N 3.32Å; F192-Q194 PolarHBondContact O-N 3.42Å; Q194-K197 PolarHBondContact O-N 3.22Å; Q194-W198 PolarHBondContact O-N 3.14Å; Q194-W198 VanDerWaalsContact O-N 3.11Å; Q194-F245 HydrophobicContact CB-CD2 4.26Å; Q194-F245 HydrophobicContact CB-CE1 4.41Å; Q194-F245 HydrophobicContact CB-CE2 3.86Å; Q194-F245 HydrophobicContact CB-CZ 3.94Å
195	M	98.6	Very high	98.4	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-60.9	-42.7	174.1	175.1	-83.9	-57.6	0	0	111.3	F122 M133 M191 F192 K197 W198 V199 T238 L242 F245	F122-M195 HydrophobicContact CE1-CE 3.78Å; F122-M195 HydrophobicContact CE2-CE 4.3Å; F122-M195 HydrophobicContact CZ-CE 3.58Å; F122-M195 HydrophobicContact CZ-SD 4.31Å; M133-M195 HydrophobicContact CE-SD 3.85Å; M133-M195 HydrophobicContact SD-SD 4.35Å; M191-M195 WeakPolarHBondContact O-CB 3.42Å; M191-M195 PolarHBondContact O-N 3.05Å; F192-M195 HydrophobicContact CD2-CE 3.44Å; F192-M195 VanDerWaalsContact CD2-CE 3.44Å; F192-M195 HydrophobicContact CE2-CE 3.65Å; F192-M195 HydrophobicContact CG-CE 4Å; F192-M195 HydrophobicContact CZ-CE 4.34Å; F192-M195 CarbonylContact O-C 3.15Å; F192-M195 WeakPolarHBondContact O-CB 3.29Å; F192-M195 PolarHBondContact O-N 3.42Å; M195-K197 VanDerWaalsContact C-N 3.32Å; M195-K197 PolarHBondContact O-N 3.03Å; M195-W198 CarbonylContact O-C 3.57Å; M195-W198 WeakPolarHBondContact O-CA 3.31Å; M195-W198 WeakPolarHBondContact O-CB 3.09Å; M195-W198 PolarHBondContact O-N 3.04Å; M195-V199 HydrophobicContact CG-CG2 4.39Å; M195-V199 WeakPolarHBondContact O-CG2 3.48Å; M195-V199 PolarHBondContact O-N 2.84Å; M195-V199 HydrophobicContact SD-CG2 3.61Å; M195-T238 HydrophobicContact CG-CG2 4.01Å; M195-T238 HydrophobicContact SD-CG2 4.25Å; M195-L242 HydrophobicContact CB-CD2 3.81Å; M195-L242 HydrophobicContact CG-CD2 3.97Å; M195-L242 HydrophobicContact CG-CG 4.34Å; M195-F245 HydrophobicContact CB-CE2 4.1Å
196	A	98.6	Very high	98.4	Very high	16 Å²	16	45.4 Å²	45.4	13%	0.132	23%	0.225	C	C	.	.	H	α-helix	trans	-58.2	-41.1	176.2	0	0	0	0	0	112.9	I83 F192 V199 K200	I83-A196 HydrophobicContact CB-CB 4.42Å; I83-A196 HydrophobicContact CD1-CB 4.36Å; I83-A196 HydrophobicContact CG2-CB 3.66Å; F192-A196 WeakPolarHBondContact O-CB 3.36Å; F192-A196 PolarHBondContact O-N 3.19Å; A196-V199 PolarHBondContact O-N 3.48Å; A196-K200 PolarHBondContact O-N 3.42Å; A196-K200 VanDerWaalsContact O-N 3.08Å
197	K	98.6	Very high	98.3	Very high	146 Å²	146	42.7 Å²	42.7	64%	0.635	21%	0.209	S	C	*	.	H	α-helix	trans	-63.7	-42.5	174.3	-69.7	173	-175.5	175.8	0	111.7	N193 Q194 M195 K200 Q201	N193-K197 WeakPolarHBondContact O-CG 3.31Å; N193-K197 PolarHBondContact O-N 2.93Å; Q194-K197 PolarHBondContact O-N 3.22Å; M195-K197 VanDerWaalsContact C-N 3.32Å; M195-K197 PolarHBondContact O-N 3.03Å; K197-K200 PolarHBondContact O-N 3.3Å; K197-Q201 WeakPolarHBondContact O-CG 3.33Å; K197-Q201 PolarHBondContact O-N 2.93Å
198	W	98.6	Very high	98.3	Very high	38 Å²	38	42.7 Å²	42.7	14%	0.144	21%	0.208	C	C	.	.	H	α-helix	trans	-64.6	-44.2	175.6	168.7	81.2	0	0	0	111.8	Q194 M195 K200 Q201 D202 R237 T238 K241	Q194-W198 PolarHBondContact O-N 3.14Å; Q194-W198 VanDerWaalsContact O-N 3.11Å; M195-W198 CarbonylContact O-C 3.57Å; M195-W198 WeakPolarHBondContact O-CA 3.31Å; M195-W198 WeakPolarHBondContact O-CB 3.09Å; M195-W198 PolarHBondContact O-N 3.04Å; W198-K200 VanDerWaalsContact C-N 3.26Å; W198-K200 PolarHBondContact O-N 3.07Å; W198-Q201 WeakPolarHBondContact O-CB 3.2Å; W198-Q201 PolarHBondContact O-N 3.18Å; W198-D202 HydrophobicContact CZ2-CB 4.27Å; W198-D202 PolarHBondContact O-N 3.3Å; W198-R237 HydrophobicContact CH2-CB 3.95Å; W198-R237 HydrophobicContact CZ2-CB 4.04Å; W198-T238 HydrophobicContact CZ3-CG2 4.24Å; W198-T238 WeakPolarHBondContact CZ3-OG1 3.25Å; W198-K241 HydrophobicContact CB-CG 4.28Å; W198-K241 HydrophobicContact CD2-CB 4.14Å; W198-K241 HydrophobicContact CD2-CD 4.25Å; W198-K241 HydrophobicContact CD2-CG 3.76Å; W198-K241 HydrophobicContact CE3-CB 4.3Å; W198-K241 HydrophobicContact CE3-CG 4.25Å; W198-K241 HydrophobicContact CG-CD 3.96Å; W198-K241 HydrophobicContact CG-CG 3.74Å
199	V	98.6	Very high	98.3	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.03	20%	0.199	C	C	.	.	H	α-helix	trans	-56.9	-42.2	176.4	169.8	0	0	0	0	110.5	I83 M133 A164 M195 A196 Q201 D202 N203 F234	I83-V199 HydrophobicContact CD1-CB 4.43Å; I83-V199 HydrophobicContact CD1-CG1 4.1Å; M133-V199 HydrophobicContact CE-CG2 4Å; M133-V199 HydrophobicContact SD-CG1 4.17Å; M133-V199 HydrophobicContact SD-CG2 3.91Å; A164-V199 HydrophobicContact CB-CG1 4.07Å; M195-V199 HydrophobicContact CG-CG2 4.39Å; M195-V199 WeakPolarHBondContact O-CG2 3.48Å; M195-V199 PolarHBondContact O-N 2.84Å; M195-V199 HydrophobicContact SD-CG2 3.61Å; A196-V199 PolarHBondContact O-N 3.48Å; V199-Q201 PolarHBondContact O-N 3.18Å; V199-D202 PolarHBondContact O-N 3.1Å; V199-N203 VanDerWaalsContact O-CB 3.26Å; V199-N203 WeakPolarHBondContact O-CB 3.46Å; V199-N203 PolarHBondContact O-N 3.43Å; V199-F234 HydrophobicContact CG1-CE2 4.49Å; V199-F234 HydrophobicContact CG1-CZ 4.38Å; V199-F234 HydrophobicContact CG2-CZ 4.35Å
200	K	98.2	Very high	98.3	Very high	147 Å²	147	41.9 Å²	41.9	64%	0.639	20%	0.2	S	C	*	.	H	α-helix	trans	-60.2	-44.3	175.5	-173.5	174.3	-174.8	-70.7	0	112.1	A196 K197 W198 N203 E204	A196-K200 PolarHBondContact O-N 3.42Å; A196-K200 VanDerWaalsContact O-N 3.08Å; K197-K200 PolarHBondContact O-N 3.3Å; W198-K200 VanDerWaalsContact C-N 3.26Å; W198-K200 PolarHBondContact O-N 3.07Å; K200-N203 PolarHBondContact O-N 3.4Å; K200-E204 WeakPolarHBondContact O-CG 3.4Å; K200-E204 PolarHBondContact O-N 2.8Å
201	Q	98	Very high	98.3	Very high	127 Å²	127	38 Å²	38	59%	0.593	18%	0.179	S	C	*	.	H	α-helix	trans	-66.1	-40.3	176.5	-66.9	172.7	-3.1	0	0	111.8	K197 W198 V199 N203 E204 T205	K197-Q201 WeakPolarHBondContact O-CG 3.33Å; K197-Q201 PolarHBondContact O-N 2.93Å; W198-Q201 WeakPolarHBondContact O-CB 3.2Å; W198-Q201 PolarHBondContact O-N 3.18Å; V199-Q201 PolarHBondContact O-N 3.18Å; Q201-N203 VanDerWaalsContact C-N 3.34Å; Q201-E204 PolarHBondContact O-N 2.82Å; Q201-T205 WeakPolarHBondContact O-CB 3.29Å; Q201-T205 WeakPolarHBondContact O-CG2 3.49Å; Q201-T205 PolarHBondContact O-N 3.33Å; Q201-T205 PolarHBondContact O-OG1 3.22Å
202	D	98.3	Very high	98.3	Very high	1 Å²	1	37.3 Å²	37.3	1%	0.005	17%	0.174	C	C	.	.	H	α-helix	trans	-62.4	-43.4	177	-162.2	67.1	0	0	0	111.7	R59 W198 V199 E204 T205 G206 Y229 R237	R59-D202 IonicContact CZ-OD1 3.09Å; R59-D202 IonicContact NH1-OD1 3.12Å; R59-D202 PolarHBondContact NH1-OD1 3.48Å; R59-D202 IonicContact NH2-OD1 3.27Å; R59-D202 PolarHBondContact NH2-OD1 3.4Å; W198-D202 HydrophobicContact CZ2-CB 4.27Å; W198-D202 PolarHBondContact O-N 3.3Å; V199-D202 PolarHBondContact O-N 3.1Å; D202-E204 VanDerWaalsContact C-N 3.27Å; D202-E204 PolarHBondContact O-N 2.79Å; D202-T205 PolarHBondContact O-N 3.36Å; D202-G206 WeakPolarHBondContact O-CA 3.31Å; D202-G206 PolarHBondContact O-N 3.22Å; D202-Y229 PolarHBondContact OD2-OH 2.87Å; D202-R237 IonicContact OD1-CZ 2.77Å; D202-R237 IonicContact OD1-NH1 2.66Å; D202-R237 PolarHBondContact OD1-NH1 3.03Å; D202-R237 IonicContact OD2-CZ 3.74Å; D202-R237 IonicContact OD2-NH1 3.53Å; D202-R237 PolarHBondContact OD2-NH1 2.9Å; D202-R237 IonicContact OD2-NH2 3.05Å; D202-R237 PolarHBondContact OD2-NH2 2.66Å
203	N	98	Very high	98.3	Very high	35 Å²	35	37.4 Å²	37.4	19%	0.187	18%	0.175	C	C	.	.	H	α-helix	trans	-67.5	-26.4	-178.5	-164.1	37.3	0	0	0	113.4	R63 A163 A164 V199 K200 Q201	R63-N203 VanDerWaalsContact CZ-O 3.27Å; R63-N203 PolarHBondContact NE-O 3Å; R63-N203 PolarHBondContact NH2-O 2.86Å; R63-N203 PolarHBondContact NH2-OD1 3.32Å; A163-N203 WeakPolarHBondContact CA-OD1 3.41Å; A163-N203 VanDerWaalsContact CB-OD1 3.3Å; A163-N203 WeakPolarHBondContact CB-OD1 3.4Å; A164-N203 HydrophobicContact CB-CB 4.33Å; A164-N203 PolarHBondContact N-OD1 3.1Å; V199-N203 VanDerWaalsContact O-CB 3.26Å; V199-N203 WeakPolarHBondContact O-CB 3.46Å; V199-N203 PolarHBondContact O-N 3.43Å; K200-N203 PolarHBondContact O-N 3.4Å; Q201-N203 VanDerWaalsContact C-N 3.34Å
204	E	97.8	Very high	98.3	Very high	76 Å²	76	36.1 Å²	36.1	36%	0.355	17%	0.168	S	C	.	.	H	α-helix	trans	-86.5	-23.4	176.7	-68	-59.4	152.1	0	0	113.1	S62 R63 K200 Q201 D202 I207	S62-E204 CarbonylContact C-O 3.56Å; S62-E204 WeakPolarHBondContact CA-O 3.37Å; R63-E204 PolarHBondContact N-O 3.06Å; R63-E204 VanDerWaalsContact N-O 3.15Å; K200-E204 WeakPolarHBondContact O-CG 3.4Å; K200-E204 PolarHBondContact O-N 2.8Å; Q201-E204 PolarHBondContact O-N 2.82Å; D202-E204 VanDerWaalsContact C-N 3.27Å; D202-E204 PolarHBondContact O-N 2.79Å; E204-I207 WeakPolarHBondContact O-CG2 3.39Å
205	T	97.6	Very high	98.3	Very high	35 Å²	35	34.2 Å²	34.2	22%	0.215	16%	0.159	C	C	.	.	H	α-helix	trans	-107.9	-29.8	-172.2	59.8	0	0	0	0	113.5	R59 F60 Q201 D202	R59-T205 VanDerWaalsContact CA-O 3.31Å; R59-T205 WeakPolarHBondContact CA-O 3.31Å; R59-T205 PolarHBondContact NH1-OG1 3.39Å; F60-T205 PolarHBondContact N-O 3.28Å; F60-T205 VanDerWaalsContact O-CA 3.26Å; F60-T205 WeakPolarHBondContact O-CA 3.46Å; F60-T205 VanDerWaalsContact O-CB 3.26Å; F60-T205 WeakPolarHBondContact O-CB 3.48Å; F60-T205 WeakPolarHBondContact O-CG2 3.32Å; Q201-T205 WeakPolarHBondContact O-CB 3.29Å; Q201-T205 WeakPolarHBondContact O-CG2 3.49Å; Q201-T205 PolarHBondContact O-N 3.33Å; Q201-T205 PolarHBondContact O-OG1 3.22Å; D202-T205 PolarHBondContact O-N 3.36Å
206	G	97.9	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.167	C	C	.	.			trans	-97.6	83.4	175.3	0	0	0	0	0	111.5	R63 D202 Y229	R63-G206 PolarHBondContact NH2-O 3.33Å; D202-G206 WeakPolarHBondContact O-CA 3.31Å; D202-G206 PolarHBondContact O-N 3.22Å; G206-Y229 WeakPolarHBondContact CA-OH 3.43Å
207	I	98	Very high	98.2	Very high	5 Å²	5	35.8 Å²	35.8	3%	0.026	17%	0.17	C	C	.	.			trans	-99.4	-15.5	-160.2	65.6	170	0	0	0	115.7	Y57 F60 R63 P64 Q161 G162 E204	Y57-I207 PolarHBondContact OH-N 2.99Å; F60-I207 HydrophobicContact CB-CD1 3.98Å; F60-I207 HydrophobicContact CB-CG1 4.46Å; F60-I207 HydrophobicContact CD1-CD1 4Å; F60-I207 HydrophobicContact CD2-CD1 3.48Å; F60-I207 VanDerWaalsContact CD2-CD1 3.48Å; F60-I207 HydrophobicContact CD2-CG1 3.53Å; F60-I207 HydrophobicContact CE1-CD1 4.41Å; F60-I207 HydrophobicContact CE2-CD1 3.95Å; F60-I207 HydrophobicContact CE2-CG1 4.01Å; F60-I207 HydrophobicContact CG-CD1 3.52Å; F60-I207 HydrophobicContact CG-CG1 4.06Å; F60-I207 HydrophobicContact CZ-CD1 4.4Å; R63-I207 HydrophobicContact CB-CG2 3.87Å; R63-I207 HydrophobicContact CG-CG2 4.21Å; R63-I207 PolarHBondContact NH1-O 3.4Å; P64-I207 HydrophobicContact CG-CD1 4.26Å; Q161-I207 WeakPolarHBondContact CA-O 3.42Å; G162-I207 PolarHBondContact N-O 2.87Å; E204-I207 WeakPolarHBondContact O-CG2 3.39Å
208	Y	98.6	Very high	98.1	Very high	2 Å²	2	32 Å²	32	1%	0.008	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	-122	143.1	-176.8	78.5	-87.8	0	0	0	111.3	Y57 F60 N160 E210 Y229 N326 F327	Y57-Y208 AromaticContact CD2-CE1 3.85Å; Y57-Y208 HydrophobicContact CD2-CE1 3.85Å; Y57-Y208 HydrophobicContact CD2-CE2 4.29Å; Y57-Y208 AromaticContact CD2-CZ 3.59Å; Y57-Y208 WeakPolarHBondContact CD2-OH 3.32Å; Y57-Y208 HydrophobicContact CE1-CE1 4.16Å; Y57-Y208 AromaticContact CE2-CD1 3.64Å; Y57-Y208 HydrophobicContact CE2-CD1 3.64Å; Y57-Y208 HydrophobicContact CE2-CD2 4.13Å; Y57-Y208 AromaticContact CE2-CE1 3.13Å; Y57-Y208 HydrophobicContact CE2-CE1 3.13Å; Y57-Y208 AromaticContact CE2-CE2 3.7Å; Y57-Y208 HydrophobicContact CE2-CE2 3.7Å; Y57-Y208 HydrophobicContact CE2-CG 4.1Å; Y57-Y208 AromaticContact CE2-CZ 3.17Å; Y57-Y208 AromaticContact CZ-CD1 3.53Å; Y57-Y208 AromaticContact CZ-CE1 3.31Å; Y57-Y208 AromaticContact CZ-CZ 3.89Å; Y57-Y208 WeakPolarHBondContact OH-CD1 3.44Å; Y57-Y208 WeakPolarHBondContact OH-CE1 3.45Å; Y57-Y208 PolarHBondContact OH-N 2.72Å; Y57-Y208 VanDerWaalsContact OH-N 3.13Å; Y57-Y208 PolarHBondContact OH-O 2.92Å; Y57-Y208 VanDerWaalsContact OH-O 3.07Å; F60-Y208 HydrophobicContact CE2-CD1 4.32Å; F60-Y208 HydrophobicContact CE2-CE1 4.45Å; N160-Y208 CarbonylContact O-C 3.57Å; N160-Y208 VanDerWaalsContact O-CA 3.29Å; N160-Y208 WeakPolarHBondContact O-CA 3.47Å; Y208-E210 HydrophobicContact CD2-CB 4.38Å; Y208-E210 HydrophobicContact CE2-CB 3.96Å; Y208-Y229 VanDerWaalsContact O-CD1 3.31Å; Y208-Y229 WeakPolarHBondContact O-CD1 3.22Å; Y208-N326 PolarHBondContact OH-N 3.1Å; Y208-N326 PolarHBondContact OH-OD1 3.17Å; Y208-F327 HydrophobicContact CD1-CD2 4.46Å; Y208-F327 AromaticContact CD1-CE2 3.62Å; Y208-F327 HydrophobicContact CD1-CE2 3.62Å; Y208-F327 HydrophobicContact CD1-CZ 4.27Å; Y208-F327 HydrophobicContact CE1-CE2 4.1Å; Y208-F327 HydrophobicContact CG-CE2 4.11Å; Y208-F327 HydrophobicContact CG-CZ 4.39Å
209	Y	98.7	Very high	97.9	Very high	18 Å²	18	36.9 Å²	36.9	7%	0.071	19%	0.185	C	C	.	.			trans	-85.9	136.1	174.1	-174	-70.9	0	0	0	108.8	W135 E137 L141 C144 N160 Y229 D230	W135-Y209 HydrophobicContact CE3-CD2 4.07Å; W135-Y209 HydrophobicContact CH2-CD2 4.06Å; W135-Y209 HydrophobicContact CH2-CG 4.36Å; W135-Y209 AromaticContact CZ3-CD2 3.29Å; W135-Y209 HydrophobicContact CZ3-CD2 3.29Å; W135-Y209 HydrophobicContact CZ3-CE2 4.04Å; W135-Y209 AromaticContact CZ3-CG 3.96Å; W135-Y209 HydrophobicContact CZ3-CG 3.96Å; E137-Y209 HydrophobicContact CG-CD1 4.24Å; E137-Y209 HydrophobicContact CG-CD2 3.57Å; E137-Y209 HydrophobicContact CG-CE1 4.49Å; E137-Y209 HydrophobicContact CG-CE2 3.85Å; E137-Y209 HydrophobicContact CG-CG 3.81Å; E137-Y209 WeakPolarHBondContact OE1-CE2 3.29Å; E137-Y209 PolarHBondContact OE1-OH 2.96Å; L141-Y209 HydrophobicContact CD1-CE1 3.72Å; C144-Y209 HydrophobicContact CB-CD1 3.79Å; C144-Y209 HydrophobicContact CB-CG 4.1Å; N160-Y209 PolarHBondContact O-N 3.23Å; Y209-Y229 WeakPolarHBondContact CA-O 3.49Å; Y209-D230 HydrophobicContact CE1-CB 4.05Å; Y209-D230 HydrophobicContact CE2-CB 3.71Å; Y209-D230 VanDerWaalsContact CZ-CB 3.41Å; Y209-D230 VanDerWaalsContact OH-CB 3.31Å; Y209-D230 WeakPolarHBondContact OH-CB 3.4Å
210	E	98.5	Very high	97.6	Very high	3 Å²	3	47 Å²	47	1%	0.014	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-128.2	128.4	171.6	-178.6	39.4	-136.6	0	0	111.6	Y208 W212 S228 Y229 Y325	Y208-E210 HydrophobicContact CD2-CB 4.38Å; Y208-E210 HydrophobicContact CE2-CB 3.96Å; E210-W212 WeakPolarHBondContact OE1-CB 3.32Å; E210-W212 VanDerWaalsContact OE1-CD1 3.23Å; E210-W212 PolarHBondContact OE1-N 3Å; E210-S228 VanDerWaalsContact O-CB 3.3Å; E210-S228 WeakPolarHBondContact O-CB 3.45Å; E210-Y229 PolarHBondContact N-O 3.37Å; E210-Y229 CarbonylContact O-C 3.41Å; E210-Y229 PolarHBondContact O-N 3.27Å; E210-Y325 HydrophobicContact CB-CE2 4.46Å; E210-Y325 HydrophobicContact CG-CD2 3.73Å; E210-Y325 HydrophobicContact CG-CE2 3.72Å
211	T	97.8	Very high	97.3	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.031	24%	0.237	C	C	.	.			trans	-85.8	-39	-170.6	-52.7	0	0	0	0	112.6	L141 T145 I259	L141-T211 HydrophobicContact CD1-CG2 4.02Å; T145-T211 HydrophobicContact CG2-CG2 4.26Å; T145-T211 PolarHBondContact OG1-OG1 3.34Å; T211-I259 HydrophobicContact CG2-CD1 4.02Å
212	W	98.2	Very high	97.2	Very high	26 Å²	26	38.5 Å²	38.5	10%	0.098	22%	0.215	C	C	.	.			trans	-90.5	126.5	-164.1	-56.9	109	0	0	0	111.6	T145 F146 E210 V214 I259 L261 F321 L323 I339	T145-W212 HydrophobicContact CG2-CZ2 3.5Å; F146-W212 HydrophobicContact CE1-CZ2 4.49Å; F146-W212 AromaticContact CZ-CZ2 3.95Å; F146-W212 HydrophobicContact CZ-CZ2 3.95Å; E210-W212 WeakPolarHBondContact OE1-CB 3.32Å; E210-W212 VanDerWaalsContact OE1-CD1 3.23Å; E210-W212 PolarHBondContact OE1-N 3Å; W212-V214 HydrophobicContact CB-CG2 4.21Å; W212-I259 HydrophobicContact CE3-CG2 3.69Å; W212-I259 HydrophobicContact CH2-CG2 4.43Å; W212-I259 HydrophobicContact CZ3-CG2 3.4Å; W212-I259 VanDerWaalsContact CZ3-CG2 3.4Å; W212-L261 HydrophobicContact CB-CD1 3.96Å; W212-L261 HydrophobicContact CB-CG 4.22Å; W212-L261 HydrophobicContact CD2-CD1 3.74Å; W212-L261 HydrophobicContact CD2-CD2 4.16Å; W212-L261 HydrophobicContact CD2-CG 3.84Å; W212-L261 HydrophobicContact CE3-CD1 3.99Å; W212-L261 HydrophobicContact CE3-CD2 3.6Å; W212-L261 HydrophobicContact CE3-CG 3.53Å; W212-L261 HydrophobicContact CG-CD1 3.72Å; W212-L261 HydrophobicContact CG-CG 4.15Å; W212-L261 HydrophobicContact CH2-CD2 4.34Å; W212-L261 HydrophobicContact CZ3-CD2 3.68Å; W212-L261 HydrophobicContact CZ3-CG 4.17Å; W212-F321 AromaticContact CE2-CZ 3.87Å; W212-F321 HydrophobicContact CZ2-CZ 4.02Å; W212-F321 AromaticContact NE1-CZ 3.87Å; W212-L323 HydrophobicContact CB-CD1 4.23Å; W212-L323 HydrophobicContact CG-CD1 4.37Å; W212-I339 HydrophobicContact CZ3-CG2 4.21Å
213	N	98.4	Very high	97.1	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	132.5	156.7	-66.2	-96.6	0	0	0	107.5	S228 I259 F260 L261	N213-S228 VanDerWaalsContact ND2-CB 3.28Å; N213-S228 WeakPolarHBondContact ND2-CB 3.41Å; N213-S228 PolarHBondContact ND2-OG 2.9Å; N213-S228 PolarHBondContact OD1-N 2.91Å; N213-S228 PolarHBondContact OD1-OG 3.47Å; N213-I259 PolarHBondContact N-O 2.9Å; N213-F260 HydrophobicContact CB-CD1 3.42Å; N213-F260 VanDerWaalsContact CB-CD1 3.42Å; N213-F260 HydrophobicContact CB-CE1 3.42Å; N213-F260 VanDerWaalsContact CB-CE1 3.42Å; N213-F260 HydrophobicContact CB-CG 4.3Å; N213-F260 HydrophobicContact CB-CZ 4.33Å; N213-F260 CarbonylContact O-C 3.42Å; N213-F260 VanDerWaalsContact O-CA 3.26Å; N213-F260 WeakPolarHBondContact O-CA 3.21Å; N213-L261 PolarHBondContact O-N 3.36Å
214	V	98.6	Very high	97.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	122.4	-177.4	-164.8	0	0	0	0	110	W212 W225 F226 L261 L323 L332	W212-V214 HydrophobicContact CB-CG2 4.21Å; V214-W225 HydrophobicContact CB-CB 4.33Å; V214-W225 HydrophobicContact CG1-CB 4.42Å; V214-W225 PolarHBondContact O-N 3.41Å; V214-F226 HydrophobicContact CB-CB 4.13Å; V214-F226 HydrophobicContact CB-CD2 3.93Å; V214-F226 HydrophobicContact CG1-CD2 4.47Å; V214-F226 HydrophobicContact CG2-CB 4.01Å; V214-F226 HydrophobicContact CG2-CD2 3.99Å; V214-F226 HydrophobicContact CG2-CG 4.44Å; V214-F226 PolarHBondContact N-O 3.02Å; V214-F226 PolarHBondContact O-N 2.84Å; V214-L261 WeakPolarHBondContact CA-O 3.36Å; V214-L261 HydrophobicContact CG1-CB 4.19Å; V214-L261 HydrophobicContact CG2-CB 4.29Å; V214-L261 HydrophobicContact CG2-CD1 4.42Å; V214-L323 HydrophobicContact CG2-CD2 4.03Å; V214-L332 HydrophobicContact CG1-CD1 3.85Å; V214-L332 HydrophobicContact CG1-CD2 4.23Å; V214-L332 HydrophobicContact CG2-CD1 4.21Å
215	K	98.4	Very high	97.2	Very high	31 Å²	31	40.2 Å²	40.2	14%	0.135	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	158.7	-175.7	-67.3	-166.4	67.5	169	0	113.1	A222 E223 T224 F260 L261 Y262 S263	K215-A222 WeakPolarHBondContact CE-O 3.47Å; K215-E223 WeakPolarHBondContact CA-O 3.48Å; K215-T224 HydrophobicContact CG-CG2 4.31Å; K215-F260 HydrophobicContact CD-CD1 3.82Å; K215-F260 HydrophobicContact CD-CE1 3.35Å; K215-F260 HydrophobicContact CD-CZ 4.07Å; K215-F260 HydrophobicContact CG-CD1 3.86Å; K215-F260 HydrophobicContact CG-CE1 3.76Å; K215-L261 PolarHBondContact N-O 2.76Å; K215-Y262 HydrophobicContact CB-CD1 4.05Å; K215-Y262 HydrophobicContact CB-CE1 4.06Å; K215-Y262 VanDerWaalsContact O-CA 3.31Å; K215-Y262 WeakPolarHBondContact O-CA 3.46Å; K215-S263 PolarHBondContact O-N 3.46Å
216	A	98.2	Very high	97.2	Very high	23 Å²	23	38.5 Å²	38.5	19%	0.19	21%	0.214	C	C	.	.	S	Bend	trans	-66.1	-39.8	175.6	0	0	0	0	0	113.1	E223 W225 S263	A216-E223 HydrophobicContact CB-CB 4.22Å; A216-E223 PolarHBondContact N-O 2.74Å; A216-W225 HydrophobicContact CB-CZ2 3.71Å; A216-S263 WeakPolarHBondContact CA-O 3.36Å
217	S	97.5	Very high	97.2	Very high	28 Å²	28	41.2 Å²	41.2	20%	0.196	23%	0.228	C	C	.	.			trans	-160.6	166.8	-179.3	84.1	0	0	0	0	110.7	E219 A222 Y262	S217-E219 PolarHBondContact O-N 3.02Å; S217-E219 WeakPolarHBondContact OG-CB 3.46Å; S217-E219 PolarHBondContact OG-N 3.3Å; S217-A222 WeakPolarHBondContact O-CB 3.01Å; S217-A222 VanDerWaalsContact OG-CB 3.26Å; S217-A222 WeakPolarHBondContact OG-CB 3.49Å; S217-Y262 VanDerWaalsContact O-CE1 3.31Å; S217-Y262 WeakPolarHBondContact O-CE1 3.3Å
218	P	96.3	Very high	97.3	Very high	66 Å²	66	41.1 Å²	41.1	43%	0.429	23%	0.228	S	C	.	.	S	Bend	trans	-74.8	-1	175.5	30.9	-36.4	0	0	0	113.8	Y262	P218-Y262 VanDerWaalsContact CA-CE1 3.46Å; P218-Y262 HydrophobicContact CB-CE1 3.91Å; P218-Y262 HydrophobicContact CB-CE2 4.43Å; P218-Y262 VanDerWaalsContact N-CE1 3.28Å
219	E	94.8	Very high	97.2	Very high	141 Å²	141	41.5 Å²	41.5	66%	0.659	23%	0.229	S	C	*	.	S	Bend	trans	-72.6	151.5	-175.5	-63.4	171.7	174.9	0	0	111.9	S217 G221 A222	S217-E219 PolarHBondContact O-N 3.02Å; S217-E219 WeakPolarHBondContact OG-CB 3.46Å; S217-E219 PolarHBondContact OG-N 3.3Å; E219-G221 PolarHBondContact O-N 3.3Å; E219-A222 HydrophobicContact CB-CB 4.49Å; E219-A222 VanDerWaalsContact O-CB 3.24Å; E219-A222 WeakPolarHBondContact O-CB 3.24Å; E219-A222 PolarHBondContact O-N 2.91Å; E219-A222 VanDerWaalsContact O-N 3.16Å
220	K	91.2	Very high	97.2	Very high	217 Å²	217	41.2 Å²	41.2	94%	0.943	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.6	128.7	175.3	-170.8	175.9	-178.2	175.9	0	109.4	A222	K220-A222 VanDerWaalsContact C-N 3.3Å
221	G	91.8	Very high	97.1	Very high	79 Å²	79	41.7 Å²	41.7	81%	0.814	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.8	2	-177.2	0	0	0	0	0	114.8	E219	E219-G221 PolarHBondContact O-N 3.3Å
222	A	96.2	Very high	97.1	Very high	17 Å²	17	41.5 Å²	41.5	14%	0.14	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-60.5	141.2	171.1	0	0	0	0	0	111.1	K215 S217 E219 K220	K215-A222 WeakPolarHBondContact CE-O 3.47Å; S217-A222 WeakPolarHBondContact O-CB 3.01Å; S217-A222 VanDerWaalsContact OG-CB 3.26Å; S217-A222 WeakPolarHBondContact OG-CB 3.49Å; E219-A222 HydrophobicContact CB-CB 4.49Å; E219-A222 VanDerWaalsContact O-CB 3.24Å; E219-A222 WeakPolarHBondContact O-CB 3.24Å; E219-A222 PolarHBondContact O-N 2.91Å; E219-A222 VanDerWaalsContact O-N 3.16Å; K220-A222 VanDerWaalsContact C-N 3.3Å
223	E	97.8	Very high	97.1	Very high	101 Å²	101	42 Å²	42	47%	0.472	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-58.5	135	-178.8	-168.6	160.3	-145.4	0	0	111.3	W53 K215 A216 W225	W53-E223 HydrophobicContact CB-CG 4.11Å; W53-E223 HydrophobicContact CG-CG 4.5Å; K215-E223 WeakPolarHBondContact CA-O 3.48Å; A216-E223 HydrophobicContact CB-CB 4.22Å; A216-E223 PolarHBondContact N-O 2.74Å; E223-W225 HydrophobicContact CB-CH2 4.32Å; E223-W225 HydrophobicContact CB-CZ3 4.39Å; E223-W225 HydrophobicContact CG-CE3 4.03Å; E223-W225 HydrophobicContact CG-CH2 4.04Å; E223-W225 HydrophobicContact CG-CZ3 3.65Å; E223-W225 WeakPolarHBondContact OE2-CH2 3.35Å; E223-W225 VanDerWaalsContact OE2-CZ3 3.3Å; E223-W225 WeakPolarHBondContact OE2-CZ3 3.17Å
224	T	98.1	Very high	97.1	Very high	34 Å²	34	42 Å²	42	21%	0.209	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	128.1	174.3	-61	0	0	0	0	108.4	P54 K215	P54-T224 WeakPolarHBondContact CA-O 3.26Å; P54-T224 HydrophobicContact CB-CG2 4.21Å; P54-T224 WeakPolarHBondContact CB-O 3.38Å; K215-T224 HydrophobicContact CG-CG2 4.31Å
225	W	98.4	Very high	97.1	Very high	12 Å²	12	42 Å²	42	5%	0.045	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	-44.2	177.7	-49.8	126.4	0	0	0	111.8	W53 P54 V55 V214 A216 E223 S263 G264 E265 P266	W53-W225 HydrophobicContact CB-CE3 4.31Å; W53-W225 AromaticContact CD1-CZ3 3.58Å; W53-W225 AromaticContact CD2-CE3 3.44Å; W53-W225 HydrophobicContact CD2-CE3 3.44Å; W53-W225 VanDerWaalsContact CD2-CE3 3.44Å; W53-W225 AromaticContact CD2-CZ3 3.78Å; W53-W225 HydrophobicContact CD2-CZ3 3.78Å; W53-W225 AromaticContact CE2-CE3 3.67Å; W53-W225 AromaticContact CE2-CZ3 3.64Å; W53-W225 HydrophobicContact CE3-CB 4.37Å; W53-W225 AromaticContact CE3-CE3 3.74Å; W53-W225 HydrophobicContact CE3-CE3 3.74Å; W53-W225 AromaticContact CG-CE3 3.69Å; W53-W225 HydrophobicContact CG-CE3 3.69Å; W53-W225 AromaticContact CG-CZ3 3.75Å; W53-W225 HydrophobicContact CG-CZ3 3.75Å; W53-W225 HydrophobicContact CH2-CE3 4.41Å; W53-W225 HydrophobicContact CZ2-CE3 4.17Å; W53-W225 HydrophobicContact CZ2-CZ3 4.28Å; W53-W225 HydrophobicContact CZ3-CB 4.41Å; W53-W225 HydrophobicContact CZ3-CE3 4.2Å; W53-W225 AromaticContact NE1-CE3 3.99Å; W53-W225 AromaticContact NE1-CZ3 3.5Å; P54-W225 WeakPolarHBondContact CA-O 3.35Å; V55-W225 PolarHBondContact N-O 2.96Å; V214-W225 HydrophobicContact CB-CB 4.33Å; V214-W225 HydrophobicContact CG1-CB 4.42Å; V214-W225 PolarHBondContact O-N 3.41Å; A216-W225 HydrophobicContact CB-CZ2 3.71Å; E223-W225 HydrophobicContact CB-CH2 4.32Å; E223-W225 HydrophobicContact CB-CZ3 4.39Å; E223-W225 HydrophobicContact CG-CE3 4.03Å; E223-W225 HydrophobicContact CG-CH2 4.04Å; E223-W225 HydrophobicContact CG-CZ3 3.65Å; E223-W225 WeakPolarHBondContact OE2-CH2 3.35Å; E223-W225 VanDerWaalsContact OE2-CZ3 3.3Å; E223-W225 WeakPolarHBondContact OE2-CZ3 3.17Å; W225-S263 PolarHBondContact NE1-O 3.16Å; W225-G264 PolarHBondContact NE1-O 2.81Å; W225-E265 HydrophobicContact CH2-CB 4.03Å; W225-E265 HydrophobicContact CH2-CG 4.19Å; W225-E265 HydrophobicContact CZ2-CB 4.26Å; W225-E265 HydrophobicContact CZ3-CB 4.46Å; W225-E265 HydrophobicContact CZ3-CG 4.14Å; W225-P266 HydrophobicContact CB-CG 3.69Å; W225-P266 VanDerWaalsContact CD2-CD 3.49Å; W225-P266 HydrophobicContact CD2-CG 4.19Å; W225-P266 HydrophobicContact CG-CG 3.71Å
226	F	98.6	Very high	97.1	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	135.3	-178.6	-59.6	-83.4	0	0	0	110	V55 V214 P266 L323 Y325 W330 L332	V55-F226 HydrophobicContact CB-CD1 3.77Å; V55-F226 HydrophobicContact CB-CE1 3.52Å; V55-F226 HydrophobicContact CB-CZ 4.43Å; V55-F226 HydrophobicContact CG1-CD1 4.43Å; V55-F226 HydrophobicContact CG1-CE1 3.99Å; V55-F226 HydrophobicContact CG2-CD1 4.2Å; V55-F226 HydrophobicContact CG2-CE1 3.57Å; V55-F226 HydrophobicContact CG2-CZ 4.01Å; V214-F226 HydrophobicContact CB-CB 4.13Å; V214-F226 HydrophobicContact CB-CD2 3.93Å; V214-F226 HydrophobicContact CG1-CD2 4.47Å; V214-F226 HydrophobicContact CG2-CB 4.01Å; V214-F226 HydrophobicContact CG2-CD2 3.99Å; V214-F226 HydrophobicContact CG2-CG 4.44Å; V214-F226 PolarHBondContact N-O 3.02Å; V214-F226 PolarHBondContact O-N 2.84Å; F226-P266 HydrophobicContact CD2-CG 4.34Å; F226-P266 HydrophobicContact CE2-CB 3.85Å; F226-P266 HydrophobicContact CE2-CG 3.59Å; F226-P266 HydrophobicContact CZ-CB 4.35Å; F226-P266 HydrophobicContact CZ-CG 4.44Å; F226-L323 HydrophobicContact CB-CD2 4.5Å; F226-L323 HydrophobicContact CD1-CD2 4.28Å; F226-L323 HydrophobicContact CD2-CD2 3.46Å; F226-L323 VanDerWaalsContact CD2-CD2 3.46Å; F226-L323 HydrophobicContact CE1-CD2 4.39Å; F226-L323 HydrophobicContact CE2-CD2 3.59Å; F226-L323 HydrophobicContact CG-CD2 3.84Å; F226-L323 HydrophobicContact CZ-CD2 4.09Å; F226-Y325 HydrophobicContact CB-CD2 4.23Å; F226-Y325 HydrophobicContact CB-CE2 4.04Å; F226-Y325 AromaticContact CD1-CD1 3.54Å; F226-Y325 HydrophobicContact CD1-CD1 3.54Å; F226-Y325 AromaticContact CD1-CD2 3.76Å; F226-Y325 HydrophobicContact CD1-CD2 3.76Å; F226-Y325 AromaticContact CD1-CE1 3.81Å; F226-Y325 HydrophobicContact CD1-CE1 3.81Å; F226-Y325 HydrophobicContact CD1-CE2 4.02Å; F226-Y325 AromaticContact CD1-CG 3.52Å; F226-Y325 HydrophobicContact CD1-CG 3.52Å; F226-Y325 AromaticContact CE1-CD1 3.78Å; F226-Y325 HydrophobicContact CE1-CD1 3.78Å; F226-Y325 HydrophobicContact CE1-CE1 4.39Å; F226-Y325 AromaticContact CE1-CG 3.85Å; F226-Y325 HydrophobicContact CE1-CG 3.85Å; F226-Y325 HydrophobicContact CG-CD2 4.24Å; F226-Y325 HydrophobicContact CG-CE2 4.43Å; F226-Y325 HydrophobicContact CG-CG 4.38Å; F226-W330 HydrophobicContact CE1-CD2 4.35Å; F226-W330 HydrophobicContact CE1-CZ2 4.44Å; F226-W330 HydrophobicContact CZ-CB 4.48Å; F226-W330 AromaticContact CZ-CD2 3.62Å; F226-W330 HydrophobicContact CZ-CD2 3.62Å; F226-W330 AromaticContact CZ-CE2 3.89Å; F226-W330 AromaticContact CZ-CE3 3.81Å; F226-W330 HydrophobicContact CZ-CE3 3.81Å; F226-W330 AromaticContact CZ-CG 3.92Å; F226-W330 HydrophobicContact CZ-CG 3.92Å; F226-W330 HydrophobicContact CZ-CH2 4.43Å; F226-W330 HydrophobicContact CZ-CZ2 4.33Å; F226-W330 HydrophobicContact CZ-CZ3 4.18Å; F226-L332 HydrophobicContact CE2-CD2 4.26Å
227	D	98.2	Very high	97.1	Very high	56 Å²	56	42.6 Å²	42.6	30%	0.299	23%	0.233	S	C	.	.			trans	-94.3	145.1	167.7	-66.6	-61.5	0	0	0	109.6	P54 Y325	P54-D227 WeakPolarHBondContact CG-OD2 3.16Å; D227-Y325 WeakPolarHBondContact O-CE2 3.31Å; D227-Y325 PolarHBondContact O-OH 2.85Å
228	S	98.1	Very high	97.1	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.028	22%	0.223	C	C	.	.			trans	-65.2	168.3	171.7	62.2	0	0	0	0	111.5	E210 N213 D230	E210-S228 VanDerWaalsContact O-CB 3.3Å; E210-S228 WeakPolarHBondContact O-CB 3.45Å; N213-S228 VanDerWaalsContact ND2-CB 3.28Å; N213-S228 WeakPolarHBondContact ND2-CB 3.41Å; N213-S228 PolarHBondContact ND2-OG 2.9Å; N213-S228 PolarHBondContact OD1-N 2.91Å; N213-S228 PolarHBondContact OD1-OG 3.47Å; S228-D230 WeakPolarHBondContact CB-OD2 3.31Å; S228-D230 PolarHBondContact OG-OD2 3.49Å
229	Y	98.5	Very high	97.2	Very high	10 Å²	10	38.1 Å²	38.1	4%	0.039	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-137.5	82.5	172.4	-161.6	-89.4	0	0	0	108.5	Y57 W135 D202 G206 Y208 Y209 E210 R237	Y57-Y229 AromaticContact CD1-CD2 3.92Å; Y57-Y229 HydrophobicContact CD1-CD2 3.92Å; Y57-Y229 AromaticContact CD1-CE2 3.78Å; Y57-Y229 HydrophobicContact CD1-CE2 3.78Å; Y57-Y229 HydrophobicContact CD2-CD1 4.38Å; Y57-Y229 AromaticContact CD2-CD2 3.49Å; Y57-Y229 HydrophobicContact CD2-CD2 3.49Å; Y57-Y229 VanDerWaalsContact CD2-CD2 3.49Å; Y57-Y229 HydrophobicContact CD2-CE2 4.19Å; Y57-Y229 AromaticContact CD2-CG 3.58Å; Y57-Y229 HydrophobicContact CD2-CG 3.58Å; Y57-Y229 HydrophobicContact CE1-CD2 4.08Å; Y57-Y229 HydrophobicContact CE1-CE1 4.29Å; Y57-Y229 AromaticContact CE1-CE2 3.81Å; Y57-Y229 HydrophobicContact CE1-CE2 3.81Å; Y57-Y229 HydrophobicContact CE1-CG 4.41Å; Y57-Y229 AromaticContact CE1-CZ 3.91Å; Y57-Y229 AromaticContact CE2-CD1 3.68Å; Y57-Y229 HydrophobicContact CE2-CD1 3.68Å; Y57-Y229 AromaticContact CE2-CD2 3.62Å; Y57-Y229 HydrophobicContact CE2-CD2 3.62Å; Y57-Y229 HydrophobicContact CE2-CE1 4.24Å; Y57-Y229 HydrophobicContact CE2-CE2 4.18Å; Y57-Y229 AromaticContact CE2-CG 3.32Å; Y57-Y229 HydrophobicContact CE2-CG 3.32Å; Y57-Y229 AromaticContact CG-CD2 3.63Å; Y57-Y229 HydrophobicContact CG-CD2 3.63Å; Y57-Y229 AromaticContact CG-CE2 3.99Å; Y57-Y229 HydrophobicContact CG-CE2 3.99Å; Y57-Y229 HydrophobicContact CG-CG 4.21Å; Y57-Y229 AromaticContact CZ-CD1 3.78Å; Y57-Y229 AromaticContact CZ-CD2 3.94Å; Y57-Y229 AromaticContact CZ-CE1 3.87Å; Y57-Y229 AromaticContact CZ-CG 3.8Å; Y57-Y229 AromaticContact CZ-CZ 3.96Å; W135-Y229 AromaticContact CH2-CD1 3.54Å; W135-Y229 HydrophobicContact CH2-CD1 3.54Å; W135-Y229 AromaticContact CH2-CE1 3.78Å; W135-Y229 HydrophobicContact CH2-CE1 3.78Å; W135-Y229 AromaticContact CZ2-CD1 3.87Å; W135-Y229 HydrophobicContact CZ2-CD1 3.87Å; W135-Y229 AromaticContact CZ2-CE1 3.58Å; W135-Y229 HydrophobicContact CZ2-CE1 3.58Å; W135-Y229 HydrophobicContact CZ3-CD1 4.12Å; W135-Y229 VanDerWaalsContact CZ3-O 3.31Å; W135-Y229 WeakPolarHBondContact CZ3-O 3.31Å; D202-Y229 PolarHBondContact OD2-OH 2.87Å; G206-Y229 WeakPolarHBondContact CA-OH 3.43Å; Y208-Y229 VanDerWaalsContact O-CD1 3.31Å; Y208-Y229 WeakPolarHBondContact O-CD1 3.22Å; Y209-Y229 WeakPolarHBondContact CA-O 3.49Å; E210-Y229 PolarHBondContact N-O 3.37Å; E210-Y229 CarbonylContact O-C 3.41Å; E210-Y229 PolarHBondContact O-N 3.27Å; Y229-R237 VanDerWaalsContact CZ-CZ 3.45Å; Y229-R237 PolarHBondContact OH-NH1 2.83Å; Y229-R237 PolarHBondContact OH-NH2 3.47Å
230	D	97.6	Very high	97.4	Very high	12 Å²	12	33.7 Å²	33.7	6%	0.064	19%	0.188	C	C	.	.	S	Bend	trans	-130.1	-172.8	-168.8	57.6	43.1	0	0	0	112.3	Y209 S228 S232 Q233 F234	Y209-D230 HydrophobicContact CE1-CB 4.05Å; Y209-D230 HydrophobicContact CE2-CB 3.71Å; Y209-D230 VanDerWaalsContact CZ-CB 3.41Å; Y209-D230 VanDerWaalsContact OH-CB 3.31Å; Y209-D230 WeakPolarHBondContact OH-CB 3.4Å; S228-D230 WeakPolarHBondContact CB-OD2 3.31Å; S228-D230 PolarHBondContact OG-OD2 3.49Å; D230-S232 VanDerWaalsContact C-N 3.34Å; D230-S232 PolarHBondContact O-N 2.58Å; D230-S232 WeakPolarHBondContact OD1-CB 3.37Å; D230-S232 PolarHBondContact OD1-N 3.31Å; D230-S232 PolarHBondContact OD1-OG 3.2Å; D230-Q233 PolarHBondContact O-N 3.38Å; D230-Q233 PolarHBondContact OD1-N 3.35Å; D230-F234 PolarHBondContact O-N 3.38Å
231	C	97.2	Very high	97.7	Very high	12 Å²	12	25.6 Å²	25.6	8%	0.081	15%	0.153	C	C	.	.	H	α-helix	trans	-57	-44.4	179.4	54.2	0	0	0	0	112.5	W135 Q233 F234 V235	W135-C231 WeakPolarHBondContact O-CA 3.17Å; W135-C231 WeakPolarHBondContact O-CB 3.36Å; C231-Q233 VanDerWaalsContact C-N 3.33Å; C231-Q233 PolarHBondContact O-N 3.03Å; C231-F234 WeakPolarHBondContact O-CB 3.37Å; C231-F234 PolarHBondContact O-N 2.94Å; C231-V235 WeakPolarHBondContact O-CG2 3.44Å; C231-V235 PolarHBondContact O-N 2.9Å
232	S	96.8	Very high	98	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.014	11%	0.114	C	C	.	.	H	α-helix	trans	-62.1	-42.2	179.2	78.1	0	0	0	0	111.3	D118 D230 F234 V235 L236	D118-S232 WeakPolarHBondContact OD2-CB 3.48Å; D230-S232 VanDerWaalsContact C-N 3.34Å; D230-S232 PolarHBondContact O-N 2.58Å; D230-S232 WeakPolarHBondContact OD1-CB 3.37Å; D230-S232 PolarHBondContact OD1-N 3.31Å; D230-S232 PolarHBondContact OD1-OG 3.2Å; S232-F234 VanDerWaalsContact C-N 3.35Å; S232-F234 PolarHBondContact O-N 2.66Å; S232-V235 PolarHBondContact O-N 3.03Å; S232-L236 VanDerWaalsContact O-CG 3.31Å; S232-L236 WeakPolarHBondContact O-CG 3.3Å; S232-L236 PolarHBondContact O-N 2.88Å
233	Q	97.9	Very high	98	Very high	37 Å²	37	21.3 Å²	21.3	17%	0.173	11%	0.109	C	C	.	.	H	α-helix	trans	-65.9	-35.9	177	-68	-66.7	-20.2	0	0	112.2	D230 C231 R237	D230-Q233 PolarHBondContact O-N 3.38Å; D230-Q233 PolarHBondContact OD1-N 3.35Å; C231-Q233 VanDerWaalsContact C-N 3.33Å; C231-Q233 PolarHBondContact O-N 3.03Å; Q233-R237 WeakPolarHBondContact O-CB 3.43Å; Q233-R237 WeakPolarHBondContact O-CG 3.42Å; Q233-R237 PolarHBondContact O-N 2.87Å; Q233-R237 PolarHBondContact O-NE 3.45Å
234	F	98.6	Very high	98	Very high	1 Å²	1	22.1 Å²	22.1	0%	0.004	11%	0.113	C	C	.	.	H	α-helix	trans	-64.2	-43.1	172.4	172.3	-100.6	0	0	0	112.3	M133 W135 A164 V199 D230 C231 S232 R237 T238	M133-F234 HydrophobicContact CE-CE1 3.91Å; M133-F234 HydrophobicContact CE-CZ 3.75Å; M133-F234 HydrophobicContact CG-CE1 4.08Å; M133-F234 HydrophobicContact CG-CZ 4.14Å; M133-F234 HydrophobicContact SD-CE1 4.47Å; M133-F234 HydrophobicContact SD-CZ 4.08Å; W135-F234 HydrophobicContact CB-CB 3.46Å; W135-F234 VanDerWaalsContact CB-CB 3.46Å; W135-F234 HydrophobicContact CB-CD1 3.42Å; W135-F234 VanDerWaalsContact CB-CD1 3.42Å; W135-F234 HydrophobicContact CB-CD2 3.81Å; W135-F234 HydrophobicContact CB-CE1 4.05Å; W135-F234 HydrophobicContact CB-CE2 4.4Å; W135-F234 HydrophobicContact CB-CG 3.26Å; W135-F234 HydrophobicContact CB-CZ 4.49Å; W135-F234 AromaticContact CD1-CD2 3.69Å; W135-F234 HydrophobicContact CD2-CB 4.43Å; W135-F234 HydrophobicContact CG-CB 3.84Å; W135-F234 HydrophobicContact CG-CD1 4.39Å; W135-F234 AromaticContact CG-CD2 3.93Å; W135-F234 HydrophobicContact CG-CD2 3.93Å; W135-F234 AromaticContact CG-CG 3.8Å; W135-F234 HydrophobicContact CG-CG 3.8Å; A164-F234 HydrophobicContact CB-CE2 4.36Å; A164-F234 HydrophobicContact CB-CZ 4.29Å; V199-F234 HydrophobicContact CG1-CE2 4.49Å; V199-F234 HydrophobicContact CG1-CZ 4.38Å; V199-F234 HydrophobicContact CG2-CZ 4.35Å; D230-F234 PolarHBondContact O-N 3.38Å; C231-F234 WeakPolarHBondContact O-CB 3.37Å; C231-F234 PolarHBondContact O-N 2.94Å; S232-F234 VanDerWaalsContact C-N 3.35Å; S232-F234 PolarHBondContact O-N 2.66Å; F234-R237 PolarHBondContact O-N 2.9Å; F234-T238 WeakPolarHBondContact O-CB 3.37Å; F234-T238 PolarHBondContact O-N 2.73Å; F234-T238 PolarHBondContact O-OG1 3.39Å
235	V	98.6	Very high	97.8	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.1	-48.6	176.1	172.4	0	0	0	0	110.8	D118 I120 C231 S232 R237 T238 F239 Y256	D118-V235 HydrophobicContact CB-CG2 3.92Å; I120-V235 HydrophobicContact CD1-CB 4.37Å; I120-V235 HydrophobicContact CD1-CG1 4.14Å; I120-V235 HydrophobicContact CD1-CG2 4.33Å; I120-V235 HydrophobicContact CG1-CB 4.32Å; I120-V235 HydrophobicContact CG1-CG1 3.91Å; I120-V235 HydrophobicContact CG1-CG2 3.94Å; C231-V235 WeakPolarHBondContact O-CG2 3.44Å; C231-V235 PolarHBondContact O-N 2.9Å; S232-V235 PolarHBondContact O-N 3.03Å; V235-R237 PolarHBondContact O-N 2.97Å; V235-T238 PolarHBondContact O-N 2.72Å; V235-F239 HydrophobicContact CG1-CD2 3.83Å; V235-F239 HydrophobicContact CG1-CE1 4.42Å; V235-F239 HydrophobicContact CG1-CE2 3.37Å; V235-F239 HydrophobicContact CG1-CZ 3.71Å; V235-F239 WeakPolarHBondContact O-CG 3.31Å; V235-F239 PolarHBondContact O-N 3.3Å; V235-Y256 HydrophobicContact CG1-CE1 4.32Å
236	L	98.3	Very high	97.7	Very high	22 Å²	22	23.6 Å²	23.6	12%	0.115	12%	0.124	C	C	.	.	H	α-helix	trans	-61.2	-41.3	178.7	-68.8	171.7	0	0	0	112.7	S232 F239 S240 Y256 I346	S232-L236 VanDerWaalsContact O-CG 3.31Å; S232-L236 WeakPolarHBondContact O-CG 3.3Å; S232-L236 PolarHBondContact O-N 2.88Å; L236-F239 PolarHBondContact O-N 3.11Å; L236-S240 WeakPolarHBondContact O-CB 3.31Å; L236-S240 PolarHBondContact O-N 2.86Å; L236-S240 PolarHBondContact O-OG 3.01Å; L236-Y256 HydrophobicContact CD2-CD2 4.44Å; L236-Y256 HydrophobicContact CD2-CE1 4.43Å; L236-Y256 HydrophobicContact CD2-CE2 3.81Å; L236-I346 HydrophobicContact CD1-CD1 3.78Å; L236-I346 HydrophobicContact CD1-CG2 4.1Å; L236-I346 HydrophobicContact CD2-CB 4.28Å; L236-I346 HydrophobicContact CD2-CG2 3.68Å
237	R	98.2	Very high	97.6	Very high	43 Å²	43	24 Å²	24	16%	0.162	13%	0.127	C	C	.	.	H	α-helix	trans	-66.7	-38.8	176.5	-71.3	177.7	-53	124.6	-3.4	111.8	W198 D202 Y229 Q233 F234 V235 S240 K241	W198-R237 HydrophobicContact CH2-CB 3.95Å; W198-R237 HydrophobicContact CZ2-CB 4.04Å; D202-R237 IonicContact OD1-CZ 2.77Å; D202-R237 IonicContact OD1-NH1 2.66Å; D202-R237 PolarHBondContact OD1-NH1 3.03Å; D202-R237 IonicContact OD2-CZ 3.74Å; D202-R237 IonicContact OD2-NH1 3.53Å; D202-R237 PolarHBondContact OD2-NH1 2.9Å; D202-R237 IonicContact OD2-NH2 3.05Å; D202-R237 PolarHBondContact OD2-NH2 2.66Å; Y229-R237 VanDerWaalsContact CZ-CZ 3.45Å; Y229-R237 PolarHBondContact OH-NH1 2.83Å; Y229-R237 PolarHBondContact OH-NH2 3.47Å; Q233-R237 WeakPolarHBondContact O-CB 3.43Å; Q233-R237 WeakPolarHBondContact O-CG 3.42Å; Q233-R237 PolarHBondContact O-N 2.87Å; Q233-R237 PolarHBondContact O-NE 3.45Å; F234-R237 PolarHBondContact O-N 2.9Å; V235-R237 PolarHBondContact O-N 2.97Å; R237-S240 PolarHBondContact O-N 3.11Å; R237-K241 WeakPolarHBondContact O-CB 3.19Å; R237-K241 PolarHBondContact O-N 3.04Å
238	T	98.6	Very high	97.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-64.9	-46.2	175.8	-55.8	0	0	0	0	111.2	I120 M133 M195 W198 F234 V235 S240 K241 L242	I120-T238 VanDerWaalsContact CD1-CB 3.46Å; I120-T238 HydrophobicContact CD1-CG2 3.48Å; I120-T238 VanDerWaalsContact CD1-CG2 3.48Å; M133-T238 HydrophobicContact CE-CG2 3.85Å; M195-T238 HydrophobicContact CG-CG2 4.01Å; M195-T238 HydrophobicContact SD-CG2 4.25Å; W198-T238 HydrophobicContact CZ3-CG2 4.24Å; W198-T238 WeakPolarHBondContact CZ3-OG1 3.25Å; F234-T238 WeakPolarHBondContact O-CB 3.37Å; F234-T238 PolarHBondContact O-N 2.73Å; F234-T238 PolarHBondContact O-OG1 3.39Å; V235-T238 PolarHBondContact O-N 2.72Å; T238-S240 VanDerWaalsContact C-N 3.35Å; T238-S240 PolarHBondContact O-N 3.34Å; T238-K241 PolarHBondContact O-N 3.06Å; T238-L242 HydrophobicContact CG2-CD1 4.46Å; T238-L242 WeakPolarHBondContact O-CG 3.44Å; T238-L242 PolarHBondContact O-N 3.43Å
239	F	98.4	Very high	97.5	Very high	1 Å²	1	29.5 Å²	29.5	0%	0.004	15%	0.151	C	C	.	.	H	α-helix	trans	-63.4	-40.8	176	-67.4	-21	0	0	0	112.3	V94 I120 V184 V235 L236 K241 L242 A243 F249 L348 P349	V94-F239 HydrophobicContact CG1-CE1 4.04Å; I120-F239 HydrophobicContact CD1-CD1 4.09Å; I120-F239 HydrophobicContact CD1-CE1 3.72Å; I120-F239 HydrophobicContact CD1-CZ 4.28Å; I120-F239 HydrophobicContact CG1-CE1 3.82Å; I120-F239 HydrophobicContact CG1-CZ 4Å; I120-F239 HydrophobicContact CG2-CE1 4.1Å; V184-F239 HydrophobicContact CG2-CE1 4.19Å; V184-F239 HydrophobicContact CG2-CZ 4Å; V235-F239 HydrophobicContact CG1-CD2 3.83Å; V235-F239 HydrophobicContact CG1-CE1 4.42Å; V235-F239 HydrophobicContact CG1-CE2 3.37Å; V235-F239 HydrophobicContact CG1-CZ 3.71Å; V235-F239 WeakPolarHBondContact O-CG 3.31Å; V235-F239 PolarHBondContact O-N 3.3Å; L236-F239 PolarHBondContact O-N 3.11Å; F239-K241 VanDerWaalsContact C-N 3.29Å; F239-K241 PolarHBondContact O-N 3Å; F239-L242 HydrophobicContact CD1-CD1 4.47Å; F239-L242 PolarHBondContact O-N 2.89Å; F239-A243 PolarHBondContact O-N 3.16Å; F239-F249 HydrophobicContact CB-CE1 4.05Å; F239-F249 HydrophobicContact CB-CE2 4.49Å; F239-F249 HydrophobicContact CB-CZ 3.77Å; F239-F249 AromaticContact CD1-CE1 3.67Å; F239-F249 HydrophobicContact CD1-CE1 3.67Å; F239-F249 AromaticContact CD1-CZ 3.95Å; F239-F249 HydrophobicContact CD1-CZ 3.95Å; F239-F249 HydrophobicContact CE1-CE1 4.24Å; F239-F249 AromaticContact CG-CE1 3.86Å; F239-F249 HydrophobicContact CG-CE1 3.86Å; F239-F249 HydrophobicContact CG-CZ 4.06Å; F239-F249 WeakPolarHBondContact O-CE2 3.46Å; F239-F249 WeakPolarHBondContact O-CZ 3.24Å; F239-L348 HydrophobicContact CD2-CD2 3.45Å; F239-L348 VanDerWaalsContact CD2-CD2 3.45Å; F239-L348 HydrophobicContact CE2-CD2 3.68Å; F239-L348 HydrophobicContact CG-CD2 4.26Å; F239-P349 HydrophobicContact CB-CG 4.01Å; F239-P349 WeakPolarHBondContact O-CG 3.44Å
240	S	97.8	Very high	97.4	Very high	47 Å²	47	34.1 Å²	34.1	33%	0.329	17%	0.171	S	C	.	.	H	α-helix	trans	-59.7	-43	174.5	-59.1	0	0	0	0	111	L236 R237 T238 A243 E244	L236-S240 WeakPolarHBondContact O-CB 3.31Å; L236-S240 PolarHBondContact O-N 2.86Å; L236-S240 PolarHBondContact O-OG 3.01Å; R237-S240 PolarHBondContact O-N 3.11Å; T238-S240 VanDerWaalsContact C-N 3.35Å; T238-S240 PolarHBondContact O-N 3.34Å; S240-A243 WeakPolarHBondContact O-CB 3.48Å; S240-A243 PolarHBondContact O-N 3.39Å; S240-E244 PolarHBondContact O-N 3.27Å
241	K	97.8	Very high	97.2	Very high	48 Å²	48	41.9 Å²	41.9	21%	0.209	21%	0.212	C	C	.	.	H	α-helix	trans	-66	-40	177.8	-163.2	72	-163.4	163.8	0	113	W198 R237 T238 F239 A243 E244 F245	W198-K241 HydrophobicContact CB-CG 4.28Å; W198-K241 HydrophobicContact CD2-CB 4.14Å; W198-K241 HydrophobicContact CD2-CD 4.25Å; W198-K241 HydrophobicContact CD2-CG 3.76Å; W198-K241 HydrophobicContact CE3-CB 4.3Å; W198-K241 HydrophobicContact CE3-CG 4.25Å; W198-K241 HydrophobicContact CG-CD 3.96Å; W198-K241 HydrophobicContact CG-CG 3.74Å; R237-K241 WeakPolarHBondContact O-CB 3.19Å; R237-K241 PolarHBondContact O-N 3.04Å; T238-K241 PolarHBondContact O-N 3.06Å; F239-K241 VanDerWaalsContact C-N 3.29Å; F239-K241 PolarHBondContact O-N 3Å; K241-A243 VanDerWaalsContact C-N 3.32Å; K241-A243 PolarHBondContact O-N 2.84Å; K241-E244 IonicContact NZ-OE2 2.76Å; K241-E244 PolarHBondContact NZ-OE2 3.43Å; K241-E244 WeakPolarHBondContact O-CB 3.34Å; K241-E244 PolarHBondContact O-N 3.46Å; K241-F245 HydrophobicContact CD-CZ 4.13Å; K241-F245 VanDerWaalsContact CE-CZ 3.4Å; K241-F245 HydrophobicContact CG-CE1 4.38Å; K241-F245 HydrophobicContact CG-CE2 3.72Å; K241-F245 HydrophobicContact CG-CZ 3.63Å; K241-F245 VanDerWaalsContact O-CD2 3.29Å; K241-F245 WeakPolarHBondContact O-CD2 3.39Å; K241-F245 WeakPolarHBondContact O-CG 3.4Å; K241-F245 PolarHBondContact O-N 2.97Å; K241-F245 VanDerWaalsContact O-N 3.16Å
242	L	98.1	Very high	97	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-38.9	173.2	-72.1	175.3	0	0	0	111.7	I187 M195 T238 F239 E244 F245 G246 A247 F249	I187-L242 HydrophobicContact CD1-CD1 4.36Å; I187-L242 HydrophobicContact CD1-CD2 3.7Å; I187-L242 HydrophobicContact CG2-CD2 4.48Å; M195-L242 HydrophobicContact CB-CD2 3.81Å; M195-L242 HydrophobicContact CG-CD2 3.97Å; M195-L242 HydrophobicContact CG-CG 4.34Å; T238-L242 HydrophobicContact CG2-CD1 4.46Å; T238-L242 WeakPolarHBondContact O-CG 3.44Å; T238-L242 PolarHBondContact O-N 3.43Å; F239-L242 HydrophobicContact CD1-CD1 4.47Å; F239-L242 PolarHBondContact O-N 2.89Å; L242-E244 VanDerWaalsContact C-N 3.34Å; L242-E244 PolarHBondContact O-N 3.3Å; L242-F245 HydrophobicContact CD2-CD2 4.34Å; L242-F245 PolarHBondContact O-N 3.08Å; L242-F245 VanDerWaalsContact O-N 3.14Å; L242-G246 PolarHBondContact O-N 3.42Å; L242-A247 HydrophobicContact CB-CB 3.89Å; L242-A247 WeakPolarHBondContact O-CB 3.37Å; L242-A247 PolarHBondContact O-N 3.22Å; L242-F249 HydrophobicContact CB-CE2 4.33Å; L242-F249 HydrophobicContact CB-CZ 3.94Å; L242-F249 HydrophobicContact CD1-CZ 4.38Å
243	A	97.1	Very high	96.9	Very high	6 Å²	6	49.9 Å²	49.9	5%	0.05	25%	0.249	C	C	.	.	H	α-helix	trans	-63.5	-38.4	174.6	0	0	0	0	0	112.3	F239 S240 K241 F245 G246 F249 P349	F239-A243 PolarHBondContact O-N 3.16Å; S240-A243 WeakPolarHBondContact O-CB 3.48Å; S240-A243 PolarHBondContact O-N 3.39Å; K241-A243 VanDerWaalsContact C-N 3.32Å; K241-A243 PolarHBondContact O-N 2.84Å; A243-F245 VanDerWaalsContact C-N 3.25Å; A243-F245 PolarHBondContact O-N 3.48Å; A243-G246 WeakPolarHBondContact O-CA 3.35Å; A243-G246 PolarHBondContact O-N 3.04Å; A243-F249 HydrophobicContact CB-CE2 4.04Å; A243-P349 HydrophobicContact CB-CB 3.81Å; A243-P349 HydrophobicContact CB-CG 3.83Å
244	E	96.3	Very high	96.8	Very high	118 Å²	118	48.1 Å²	48.1	55%	0.551	24%	0.241	S	C	*	.	H	α-helix	trans	-60.7	-34.6	172.3	-70.1	171.7	-144.1	0	0	112.4	S240 K241 L242 G246	S240-E244 PolarHBondContact O-N 3.27Å; K241-E244 IonicContact NZ-OE2 2.76Å; K241-E244 PolarHBondContact NZ-OE2 3.43Å; K241-E244 WeakPolarHBondContact O-CB 3.34Å; K241-E244 PolarHBondContact O-N 3.46Å; L242-E244 VanDerWaalsContact C-N 3.34Å; L242-E244 PolarHBondContact O-N 3.3Å; E244-G246 PolarHBondContact O-N 2.81Å
245	F	95.8	Very high	96.6	Very high	52 Å²	52	49.1 Å²	49.1	23%	0.228	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-7.6	174.1	-56.4	-33.5	0	0	0	113.5	M191 Q194 M195 K241 L242 A243	M191-F245 WeakPolarHBondContact CE-O 3.42Å; M191-F245 HydrophobicContact CG-CB 4.26Å; Q194-F245 HydrophobicContact CB-CD2 4.26Å; Q194-F245 HydrophobicContact CB-CE1 4.41Å; Q194-F245 HydrophobicContact CB-CE2 3.86Å; Q194-F245 HydrophobicContact CB-CZ 3.94Å; M195-F245 HydrophobicContact CB-CE2 4.1Å; K241-F245 HydrophobicContact CD-CZ 4.13Å; K241-F245 VanDerWaalsContact CE-CZ 3.4Å; K241-F245 HydrophobicContact CG-CE1 4.38Å; K241-F245 HydrophobicContact CG-CE2 3.72Å; K241-F245 HydrophobicContact CG-CZ 3.63Å; K241-F245 VanDerWaalsContact O-CD2 3.29Å; K241-F245 WeakPolarHBondContact O-CD2 3.39Å; K241-F245 WeakPolarHBondContact O-CG 3.4Å; K241-F245 PolarHBondContact O-N 2.97Å; K241-F245 VanDerWaalsContact O-N 3.16Å; L242-F245 HydrophobicContact CD2-CD2 4.34Å; L242-F245 PolarHBondContact O-N 3.08Å; L242-F245 VanDerWaalsContact O-N 3.14Å; A243-F245 VanDerWaalsContact C-N 3.25Å; A243-F245 PolarHBondContact O-N 3.48Å
246	G	95.7	Very high	96.5	Very high	25 Å²	25	49.1 Å²	49.1	26%	0.258	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	98.9	14.6	178	0	0	0	0	0	114.8	L242 A243 E244	L242-G246 PolarHBondContact O-N 3.42Å; A243-G246 WeakPolarHBondContact O-CA 3.35Å; A243-G246 PolarHBondContact O-N 3.04Å; E244-G246 PolarHBondContact O-N 2.81Å
247	A	96.8	Very high	96.3	Very high	8 Å²	8	48.7 Å²	48.7	7%	0.066	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-63.7	139.4	172.6	0	0	0	0	0	111.4	I187 M191 L242 F249	I187-A247 HydrophobicContact CG2-CB 3.64Å; M191-A247 HydrophobicContact SD-CB 4.43Å; L242-A247 HydrophobicContact CB-CB 3.89Å; L242-A247 WeakPolarHBondContact O-CB 3.37Å; L242-A247 PolarHBondContact O-N 3.22Å; A247-F249 HydrophobicContact CB-CE2 4.2Å
248	E	96.6	Very high	96.1	Very high	143 Å²	143	48.9 Å²	48.9	67%	0.668	25%	0.245	S	C	*	.	P	Polyproline II helix	trans	-103.5	120.8	175.9	-64.5	-173.8	175.7	0	0	110.1	A185	A185-E248 WeakPolarHBondContact CB-O 3.36Å
249	F	96.8	Very high	96	Very high	33 Å²	33	50.5 Å²	50.5	15%	0.145	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-93.2	142.4	178.6	-69.8	-86.1	0	0	0	111	V184 A185 F239 L242 A243 A247 L348 P349	V184-F249 HydrophobicContact CB-CD1 4.31Å; V184-F249 HydrophobicContact CG2-CD1 4.24Å; V184-F249 HydrophobicContact CG2-CE1 4.31Å; V184-F249 CarbonylContact O-C 3.51Å; V184-F249 WeakPolarHBondContact O-CA 3.43Å; A185-F249 HydrophobicContact CB-CD1 3.92Å; A185-F249 HydrophobicContact CB-CE1 4.06Å; F239-F249 HydrophobicContact CB-CE1 4.05Å; F239-F249 HydrophobicContact CB-CE2 4.49Å; F239-F249 HydrophobicContact CB-CZ 3.77Å; F239-F249 AromaticContact CD1-CE1 3.67Å; F239-F249 HydrophobicContact CD1-CE1 3.67Å; F239-F249 AromaticContact CD1-CZ 3.95Å; F239-F249 HydrophobicContact CD1-CZ 3.95Å; F239-F249 HydrophobicContact CE1-CE1 4.24Å; F239-F249 AromaticContact CG-CE1 3.86Å; F239-F249 HydrophobicContact CG-CE1 3.86Å; F239-F249 HydrophobicContact CG-CZ 4.06Å; F239-F249 WeakPolarHBondContact O-CE2 3.46Å; F239-F249 WeakPolarHBondContact O-CZ 3.24Å; L242-F249 HydrophobicContact CB-CE2 4.33Å; L242-F249 HydrophobicContact CB-CZ 3.94Å; L242-F249 HydrophobicContact CD1-CZ 4.38Å; A243-F249 HydrophobicContact CB-CE2 4.04Å; A247-F249 HydrophobicContact CB-CE2 4.2Å; F249-L348 HydrophobicContact CB-CB 3.91Å; F249-L348 HydrophobicContact CB-CD1 4.12Å; F249-L348 HydrophobicContact CD1-CB 4.49Å; F249-L348 HydrophobicContact CD1-CD1 4.24Å; F249-L348 HydrophobicContact CD1-CD2 4.1Å; F249-L348 HydrophobicContact CG-CB 4.24Å; F249-P349 HydrophobicContact CD2-CG 3.93Å; F249-P349 HydrophobicContact CE2-CG 3.78Å; F249-P349 HydrophobicContact CZ-CG 4.41Å
250	K	96.1	Very high	96	Very high	107 Å²	107	50.6 Å²	50.6	47%	0.465	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-64.9	147.7	171.2	-69.5	171.8	178.1	-73.8	0	110.1	K183 V184 I252 L348	K183-K250 WeakPolarHBondContact O-CD 3.26Å; V184-K250 PolarHBondContact O-N 3.37Å; K250-I252 HydrophobicContact CB-CD1 3.82Å; K250-I252 HydrophobicContact CB-CG1 3.92Å; K250-I252 HydrophobicContact CD-CD1 4.09Å; K250-I252 PolarHBondContact O-N 3.47Å; K250-L348 WeakPolarHBondContact O-CD1 3.21Å
251	N	93.7	Very high	96	Very high	175 Å²	175	48.4 Å²	48.4	94%	0.936	24%	0.239	S	C	*	.			trans	-80.3	86.9	174	-169.8	35.9	0	0	0	110.1
252	I	94.1	Very high	96	Very high	57 Å²	57	46.3 Å²	46.3	29%	0.292	23%	0.23	S	C	.	.			trans	-129.1	139.9	179.8	-56.3	173.9	0	0	0	107.7	V182 K250 T254	V182-I252 HydrophobicContact CG2-CD1 3.88Å; K250-I252 HydrophobicContact CB-CD1 3.82Å; K250-I252 HydrophobicContact CB-CG1 3.92Å; K250-I252 HydrophobicContact CD-CD1 4.09Å; K250-I252 PolarHBondContact O-N 3.47Å; I252-T254 PolarHBondContact O-N 3.21Å
253	E	94.2	Very high	96.1	Very high	124 Å²	124	46.3 Å²	46.3	58%	0.579	23%	0.23	S	C	*	.			trans	-64	126.5	172.5	-178.7	179.5	170.6	0	0	110	N255 E345	E253-N255 WeakPolarHBondContact CG-OD1 3.46Å; E253-N255 PolarHBondContact OE1-ND2 2.72Å; E253-N255 PolarHBondContact OE1-OD1 3.26Å; E253-E345 HydrophobicContact CG-CG 4.09Å
254	T	94.9	Very high	96.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.23	C	C	.	.			trans	-127.1	111.5	-179.5	46.2	0	0	0	0	110.4	I252 E345 I346 L348	I252-T254 PolarHBondContact O-N 3.21Å; T254-E345 WeakPolarHBondContact O-CA 3.28Å; T254-I346 CarbonylContact O-C 3.39Å; T254-I346 PolarHBondContact O-N 2.71Å; T254-I346 VanDerWaalsContact O-O 3.11Å; T254-I346 PolarHBondContact OG1-O 2.77Å; T254-L348 HydrophobicContact CG2-CD1 4.03Å; T254-L348 HydrophobicContact CG2-CD2 4.19Å; T254-L348 HydrophobicContact CG2-CG 3.86Å
255	N	94.9	Very high	96.2	Very high	23 Å²	23	46.4 Å²	46.4	12%	0.123	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	142.1	-175.6	-64.5	16.2	0	0	0	110.8	R96 Q98 E253 Y343 E344 E345	R96-N255 PolarHBondContact NH2-O 2.85Å; Q98-N255 PolarHBondContact NE2-O 3.32Å; E253-N255 WeakPolarHBondContact CG-OD1 3.46Å; E253-N255 PolarHBondContact OE1-ND2 2.72Å; E253-N255 PolarHBondContact OE1-OD1 3.26Å; N255-Y343 HydrophobicContact CB-CD1 3.66Å; N255-Y343 HydrophobicContact CB-CD2 4.34Å; N255-Y343 HydrophobicContact CB-CE1 3.25Å; N255-Y343 HydrophobicContact CB-CE2 3.97Å; N255-Y343 HydrophobicContact CB-CG 4.2Å; N255-Y343 VanDerWaalsContact CB-CZ 3.41Å; N255-Y343 WeakPolarHBondContact O-CE2 3.22Å; N255-Y343 PolarHBondContact O-OH 3.14Å; N255-E344 CarbonylContact C-O 3.59Å; N255-E344 VanDerWaalsContact CA-O 3.3Å; N255-E344 WeakPolarHBondContact CA-O 3.5Å; N255-E345 VanDerWaalsContact OD1-CA 3.23Å; N255-E345 WeakPolarHBondContact OD1-CA 3.43Å; N255-E345 WeakPolarHBondContact OD1-CB 3.49Å
256	Y	95.6	Very high	96.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	144.9	-173.7	-63.9	-90.4	0	0	0	110.5	V235 L236 Y343 E344 I346	V235-Y256 HydrophobicContact CG1-CE1 4.32Å; L236-Y256 HydrophobicContact CD2-CD2 4.44Å; L236-Y256 HydrophobicContact CD2-CE1 4.43Å; L236-Y256 HydrophobicContact CD2-CE2 3.81Å; Y256-Y343 WeakPolarHBondContact O-CA 3.42Å; Y256-E344 PolarHBondContact N-O 2.83Å; Y256-E344 PolarHBondContact O-N 2.63Å; Y256-E344 VanDerWaalsContact O-N 3.09Å; Y256-I346 HydrophobicContact CD2-CB 3.69Å; Y256-I346 HydrophobicContact CD2-CD1 4.02Å; Y256-I346 HydrophobicContact CD2-CG1 4.01Å; Y256-I346 HydrophobicContact CE2-CB 3.98Å; Y256-I346 HydrophobicContact CG-CD1 4.32Å
257	T	94.7	Very high	96.5	Very high	12 Å²	12	46.9 Å²	46.9	7%	0.074	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	129.2	172.9	-51.1	0	0	0	0	108.8	K114 I115 M116 I341 T342	K114-T257 PolarHBondContact O-OG1 2.93Å; I115-T257 HydrophobicContact CB-CG2 4.44Å; I115-T257 HydrophobicContact CG2-CG2 4.26Å; M116-T257 WeakPolarHBondContact CB-OG1 3.5Å; M116-T257 PolarHBondContact N-OG1 2.93Å; T257-I341 HydrophobicContact CG2-CG2 4.1Å; T257-T342 CarbonylContact C-O 3.52Å; T257-T342 WeakPolarHBondContact CA-O 3.22Å
258	R	95	Very high	96.5	Very high	47 Å²	47	50.2 Å²	50.2	18%	0.177	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	130.4	168.7	-65.8	-164.3	-70.2	-175.4	-6.7	110.9	F260 I341 T342 E344	R258-F260 HydrophobicContact CB-CD2 4.11Å; R258-F260 HydrophobicContact CB-CE2 3.53Å; R258-F260 HydrophobicContact CB-CZ 3.88Å; R258-I341 WeakPolarHBondContact O-CA 3.43Å; R258-T342 PolarHBondContact N-O 3.5Å; R258-T342 PolarHBondContact O-N 2.99Å; R258-T342 PolarHBondContact O-OG1 2.87Å; R258-E344 IonicContact CZ-OE2 3.19Å; R258-E344 IonicContact NE-OE2 2.72Å; R258-E344 IonicContact NH2-OE2 2.73Å; R258-E344 PolarHBondContact NH2-OE2 2.8Å
259	I	95.8	Very high	96.6	Very high	34 Å²	34	45.5 Å²	45.5	17%	0.174	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	110.1	177.2	-50.2	178.4	0	0	0	107.6	T211 W212 N213 I341	T211-I259 HydrophobicContact CG2-CD1 4.02Å; W212-I259 HydrophobicContact CE3-CG2 3.69Å; W212-I259 HydrophobicContact CH2-CG2 4.43Å; W212-I259 HydrophobicContact CZ3-CG2 3.4Å; W212-I259 VanDerWaalsContact CZ3-CG2 3.4Å; N213-I259 PolarHBondContact N-O 2.9Å; I259-I341 HydrophobicContact CG1-CG1 4.4Å; I259-I341 HydrophobicContact CG2-CG1 4.29Å
260	F	97.6	Very high	96.6	Very high	4 Å²	4	44 Å²	44	2%	0.018	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	133.8	-176	-73.7	-72.5	0	0	0	112.5	N213 K215 R258 Y262 I339 K340 T342	N213-F260 HydrophobicContact CB-CD1 3.42Å; N213-F260 VanDerWaalsContact CB-CD1 3.42Å; N213-F260 HydrophobicContact CB-CE1 3.42Å; N213-F260 VanDerWaalsContact CB-CE1 3.42Å; N213-F260 HydrophobicContact CB-CG 4.3Å; N213-F260 HydrophobicContact CB-CZ 4.33Å; N213-F260 CarbonylContact O-C 3.42Å; N213-F260 VanDerWaalsContact O-CA 3.26Å; N213-F260 WeakPolarHBondContact O-CA 3.21Å; K215-F260 HydrophobicContact CD-CD1 3.82Å; K215-F260 HydrophobicContact CD-CE1 3.35Å; K215-F260 HydrophobicContact CD-CZ 4.07Å; K215-F260 HydrophobicContact CG-CD1 3.86Å; K215-F260 HydrophobicContact CG-CE1 3.76Å; R258-F260 HydrophobicContact CB-CD2 4.11Å; R258-F260 HydrophobicContact CB-CE2 3.53Å; R258-F260 HydrophobicContact CB-CZ 3.88Å; F260-Y262 HydrophobicContact CB-CE1 4.29Å; F260-Y262 HydrophobicContact CB-CE2 3.86Å; F260-I339 CarbonylContact O-C 3.52Å; F260-I339 VanDerWaalsContact O-CA 3.24Å; F260-I339 WeakPolarHBondContact O-CA 3.46Å; F260-K340 WeakPolarHBondContact CB-O 3.46Å; F260-K340 PolarHBondContact N-O 2.91Å; F260-K340 PolarHBondContact O-N 3.3Å; F260-T342 HydrophobicContact CD2-CG2 3.97Å; F260-T342 HydrophobicContact CE2-CG2 4.25Å; F260-T342 VanDerWaalsContact CE2-OG1 3.25Å; F260-T342 WeakPolarHBondContact CE2-OG1 2.85Å
261	L	98.4	Very high	96.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	137.4	154.5	-60.4	-179	0	0	0	108.9	W212 N213 V214 K215 F321 L332 M334 F338 I339	W212-L261 HydrophobicContact CB-CD1 3.96Å; W212-L261 HydrophobicContact CB-CG 4.22Å; W212-L261 HydrophobicContact CD2-CD1 3.74Å; W212-L261 HydrophobicContact CD2-CD2 4.16Å; W212-L261 HydrophobicContact CD2-CG 3.84Å; W212-L261 HydrophobicContact CE3-CD1 3.99Å; W212-L261 HydrophobicContact CE3-CD2 3.6Å; W212-L261 HydrophobicContact CE3-CG 3.53Å; W212-L261 HydrophobicContact CG-CD1 3.72Å; W212-L261 HydrophobicContact CG-CG 4.15Å; W212-L261 HydrophobicContact CH2-CD2 4.34Å; W212-L261 HydrophobicContact CZ3-CD2 3.68Å; W212-L261 HydrophobicContact CZ3-CG 4.17Å; N213-L261 PolarHBondContact O-N 3.36Å; V214-L261 WeakPolarHBondContact CA-O 3.36Å; V214-L261 HydrophobicContact CG1-CB 4.19Å; V214-L261 HydrophobicContact CG2-CB 4.29Å; V214-L261 HydrophobicContact CG2-CD1 4.42Å; K215-L261 PolarHBondContact N-O 2.76Å; L261-F321 HydrophobicContact CD1-CD1 3.81Å; L261-F321 HydrophobicContact CD1-CD2 4.21Å; L261-F321 HydrophobicContact CD1-CE1 3.56Å; L261-F321 HydrophobicContact CD1-CE2 3.98Å; L261-F321 HydrophobicContact CD1-CG 4.14Å; L261-F321 HydrophobicContact CD1-CZ 3.66Å; L261-F321 HydrophobicContact CD2-CD2 4.39Å; L261-F321 HydrophobicContact CD2-CE2 4.08Å; L261-F321 HydrophobicContact CD2-CZ 4.43Å; L261-L332 HydrophobicContact CD1-CD1 3.81Å; L261-M334 HydrophobicContact CB-CE 4.06Å; L261-M334 HydrophobicContact CD2-CE 4Å; L261-F338 CarbonylContact C-O 3.54Å; L261-F338 WeakPolarHBondContact CA-O 3.43Å; L261-I339 HydrophobicContact CD2-CB 4.46Å; L261-I339 HydrophobicContact CD2-CD1 3.97Å; L261-I339 HydrophobicContact CD2-CG1 3.69Å; L261-I339 HydrophobicContact CD2-CG2 4.36Å
262	Y	98.6	Very high	96.8	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.016	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	127.8	172.4	-61.3	-76.1	0	0	0	110.8	K215 S217 P218 F260 M334 K335 P337 F338 K340	K215-Y262 HydrophobicContact CB-CD1 4.05Å; K215-Y262 HydrophobicContact CB-CE1 4.06Å; K215-Y262 VanDerWaalsContact O-CA 3.31Å; K215-Y262 WeakPolarHBondContact O-CA 3.46Å; S217-Y262 VanDerWaalsContact O-CE1 3.31Å; S217-Y262 WeakPolarHBondContact O-CE1 3.3Å; P218-Y262 VanDerWaalsContact CA-CE1 3.46Å; P218-Y262 HydrophobicContact CB-CE1 3.91Å; P218-Y262 HydrophobicContact CB-CE2 4.43Å; P218-Y262 VanDerWaalsContact N-CE1 3.28Å; F260-Y262 HydrophobicContact CB-CE1 4.29Å; F260-Y262 HydrophobicContact CB-CE2 3.86Å; Y262-M334 WeakPolarHBondContact O-CA 3.44Å; Y262-K335 WeakPolarHBondContact CB-O 3.49Å; Y262-K335 PolarHBondContact O-N 2.89Å; Y262-P337 VanDerWaalsContact CD2-CD 3.47Å; Y262-P337 HydrophobicContact CD2-CG 3.49Å; Y262-P337 VanDerWaalsContact CD2-CG 3.49Å; Y262-P337 HydrophobicContact CE2-CG 3.49Å; Y262-P337 VanDerWaalsContact CE2-CG 3.49Å; Y262-P337 HydrophobicContact CG-CG 4.41Å; Y262-F338 PolarHBondContact N-O 3.23Å; Y262-K340 HydrophobicContact CE2-CB 3.63Å; Y262-K340 HydrophobicContact CE2-CD 4.46Å
263	S	98.6	Very high	96.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	164.2	-177.2	71.6	0	0	0	0	112.5	K215 A216 W225 P333	K215-S263 PolarHBondContact O-N 3.46Å; A216-S263 WeakPolarHBondContact CA-O 3.36Å; W225-S263 PolarHBondContact NE1-O 3.16Å; S263-P333 CarbonylContact C-O 3.55Å; S263-P333 VanDerWaalsContact CA-O 3.24Å; S263-P333 WeakPolarHBondContact CA-O 3.16Å; S263-P333 WeakPolarHBondContact CB-O 3.29Å
264	G	98.3	Very high	97	Very high	6 Å²	6	35.5 Å²	35.5	6%	0.062	19%	0.188	C	C	.	.	S	Bend	trans	-65.7	-175.1	155.8	0	0	0	0	0	111.9	W225 P266 P333 K335	W225-G264 PolarHBondContact NE1-O 2.81Å; G264-P266 WeakPolarHBondContact O-CD 3.12Å; G264-P333 PolarHBondContact N-O 2.8Å; G264-K335 VanDerWaalsContact CA-CE 3.45Å
265	E	98.3	Very high	97.2	Very high	120 Å²	120	35.7 Å²	35.7	56%	0.561	19%	0.189	S	C	*	.	S	Bend	trans	-58.2	125.2	178.8	-170.3	175.8	172.7	0	0	110.6	W53 W225	W53-E265 HydrophobicContact CH2-CG 4.34Å; W53-E265 HydrophobicContact CZ2-CG 3.56Å; W53-E265 WeakPolarHBondContact CZ2-OE1 3.31Å; W225-E265 HydrophobicContact CH2-CB 4.03Å; W225-E265 HydrophobicContact CH2-CG 4.19Å; W225-E265 HydrophobicContact CZ2-CB 4.26Å; W225-E265 HydrophobicContact CZ3-CB 4.46Å; W225-E265 HydrophobicContact CZ3-CG 4.14Å
266	P	98.5	Very high	97.3	Very high	7 Å²	7	35.6 Å²	35.6	5%	0.045	19%	0.187	C	C	.	.			trans	-64.8	142.6	-179.8	-24.8	34.8	0	0	0	113.3	W53 W225 F226 G264 W330 F331 L332	W53-P266 HydrophobicContact CH2-CB 4.32Å; W53-P266 HydrophobicContact CH2-CG 4.24Å; W53-P266 HydrophobicContact CZ3-CG 4.33Å; W225-P266 HydrophobicContact CB-CG 3.69Å; W225-P266 VanDerWaalsContact CD2-CD 3.49Å; W225-P266 HydrophobicContact CD2-CG 4.19Å; W225-P266 HydrophobicContact CG-CG 3.71Å; F226-P266 HydrophobicContact CD2-CG 4.34Å; F226-P266 HydrophobicContact CE2-CB 3.85Å; F226-P266 HydrophobicContact CE2-CG 3.59Å; F226-P266 HydrophobicContact CZ-CB 4.35Å; F226-P266 HydrophobicContact CZ-CG 4.44Å; G264-P266 WeakPolarHBondContact O-CD 3.12Å; P266-W330 HydrophobicContact CB-CE3 3.91Å; P266-W330 HydrophobicContact CB-CZ3 4.46Å; P266-F331 WeakPolarHBondContact CA-O 3.33Å; P266-L332 HydrophobicContact CB-CD2 3.77Å; P266-L332 HydrophobicContact CG-CD2 3.8Å
267	T	98.4	Very high	97.1	Very high	80 Å²	80	36.5 Å²	36.5	49%	0.491	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.6	172.9	-57.7	0	0	0	0	110.2	W330 F331	T267-W330 CarbonylContact O-C 3.59Å; T267-W330 WeakPolarHBondContact O-CA 3.36Å; T267-F331 PolarHBondContact N-O 3.14Å; T267-F331 PolarHBondContact O-N 3.49Å
268	Y	98.2	Very high	97	Very high	78 Å²	78	42.2 Å²	42.2	31%	0.306	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	129.4	175	172.8	-104.7	0	0	0	111.5	G270 N271 E328 W330	Y268-G270 VanDerWaalsContact CZ-CA 3.46Å; Y268-N271 PolarHBondContact OH-N 2.8Å; Y268-E328 HydrophobicContact CD2-CB 4.49Å; Y268-E328 HydrophobicContact CE2-CB 3.78Å; Y268-E328 HydrophobicContact CE2-CG 3.97Å; Y268-E328 WeakPolarHBondContact CE2-OE2 3.37Å; Y268-E328 PolarHBondContact OH-OE1 3.12Å; Y268-W330 HydrophobicContact CD2-CD2 4.14Å; Y268-W330 AromaticContact CD2-CE2 3.68Å; Y268-W330 HydrophobicContact CD2-CH2 4.15Å; Y268-W330 AromaticContact CD2-CZ2 3.66Å; Y268-W330 HydrophobicContact CD2-CZ2 3.66Å; Y268-W330 HydrophobicContact CE2-CZ2 4.45Å; Y268-W330 HydrophobicContact CG-CH2 4.48Å; Y268-W330 HydrophobicContact CG-CZ2 4.42Å
269	L	98.2	Very high	96.9	Very high	44 Å²	44	46.5 Å²	46.5	23%	0.23	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	-30	-176.7	-56.9	176.3	0	0	0	112.4	L284 I288 Y322 Y329 F331	L269-L284 HydrophobicContact CB-CD2 4.31Å; L269-L284 HydrophobicContact CD1-CD1 4.37Å; L269-L284 HydrophobicContact CD2-CD2 4.4Å; L269-I288 HydrophobicContact CD1-CD1 4.29Å; L269-Y322 HydrophobicContact CD1-CD1 3.56Å; L269-Y322 HydrophobicContact CD1-CE1 3.65Å; L269-Y329 VanDerWaalsContact CB-O 3.29Å; L269-Y329 WeakPolarHBondContact CB-O 3.47Å; L269-Y329 PolarHBondContact N-O 2.89Å; L269-F331 HydrophobicContact CD1-CB 4.01Å; L269-F331 HydrophobicContact CD2-CB 3.95Å; L269-F331 HydrophobicContact CG-CB 4.16Å
270	G	97.5	Very high	96.9	Very high	2 Å²	2	45.5 Å²	45.5	2%	0.021	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.8	173	-178	0	0	0	0	0	113.3	Y268 S274 Y329	Y268-G270 VanDerWaalsContact CZ-CA 3.46Å; G270-S274 VanDerWaalsContact CA-OG 3.28Å; G270-S274 WeakPolarHBondContact CA-OG 3.24Å; G270-Y329 PolarHBondContact N-O 3.24Å; G270-Y329 PolarHBondContact O-N 3.11Å
271	N	97.2	Very high	96.8	Very high	60 Å²	60	49.8 Å²	49.8	32%	0.321	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	174.8	168.1	64.8	37.6	0	0	0	111.3	Y268 T273 S274 V275 E328	Y268-N271 PolarHBondContact OH-N 2.8Å; N271-T273 PolarHBondContact O-N 3.26Å; N271-T273 PolarHBondContact OD1-N 3.3Å; N271-T273 PolarHBondContact OD1-OG1 2.87Å; N271-T273 VanDerWaalsContact OD1-OG1 3.05Å; N271-S274 PolarHBondContact N-OG 2.83Å; N271-S274 PolarHBondContact O-N 3Å; N271-S274 PolarHBondContact O-OG 3.05Å; N271-S274 WeakPolarHBondContact OD1-CB 3.3Å; N271-S274 PolarHBondContact OD1-N 2.86Å; N271-S274 PolarHBondContact OD1-OG 3.3Å; N271-V275 WeakPolarHBondContact O-CG2 3.48Å; N271-V275 PolarHBondContact O-N 2.81Å; N271-E328 HydrophobicContact CB-CG 4.25Å
272	E	96.1	Very high	96.7	Very high	65 Å²	65	58.2 Å²	58.2	30%	0.304	32%	0.324	S	S	.	.	H	α-helix	trans	-51.1	-48.7	-178.4	-76	-178.8	-144.2	0	0	113.6	A155 V275 F276 F324 Y329	A155-E272 HydrophobicContact CB-CB 4.39Å; A155-E272 HydrophobicContact CB-CG 4.39Å; E272-V275 PolarHBondContact O-N 2.9Å; E272-F276 WeakPolarHBondContact O-CD2 3.3Å; E272-F276 PolarHBondContact O-N 3.09Å; E272-F324 HydrophobicContact CG-CE2 4.34Å; E272-Y329 HydrophobicContact CG-CE2 3.77Å
273	T	95.4	Very high	96.6	Very high	106 Å²	106	63.5 Å²	63.5	65%	0.65	36%	0.356	S	S	*	.	H	α-helix	trans	-72.8	-32.5	-176.1	56	0	0	0	0	112.3	N271 G277	N271-T273 PolarHBondContact O-N 3.26Å; N271-T273 PolarHBondContact OD1-N 3.3Å; N271-T273 PolarHBondContact OD1-OG1 2.87Å; N271-T273 VanDerWaalsContact OD1-OG1 3.05Å; T273-G277 WeakPolarHBondContact O-CA 3.33Å; T273-G277 PolarHBondContact O-N 3.27Å
274	S	97.2	Very high	96.6	Very high	53 Å²	53	65.3 Å²	65.3	37%	0.371	37%	0.366	S	S	.	.	H	α-helix	trans	-73.1	-26.6	176.1	67.7	0	0	0	0	113.8	G270 N271 G280	G270-S274 VanDerWaalsContact CA-OG 3.28Å; G270-S274 WeakPolarHBondContact CA-OG 3.24Å; N271-S274 PolarHBondContact N-OG 2.83Å; N271-S274 PolarHBondContact O-N 3Å; N271-S274 PolarHBondContact O-OG 3.05Å; N271-S274 WeakPolarHBondContact OD1-CB 3.3Å; N271-S274 PolarHBondContact OD1-N 2.86Å; N271-S274 PolarHBondContact OD1-OG 3.3Å; S274-G280 WeakPolarHBondContact O-CA 3.4Å
275	V	97.9	Very high	96.6	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.024	37%	0.365	C	S	.	.	H	α-helix	trans	-91.6	-47.1	-179	175.9	0	0	0	0	111.2	N271 E272 N281 L284 I288	N271-V275 WeakPolarHBondContact O-CG2 3.48Å; N271-V275 PolarHBondContact O-N 2.81Å; E272-V275 PolarHBondContact O-N 2.9Å; V275-N281 PolarHBondContact O-N 2.99Å; V275-L284 HydrophobicContact CG1-CD2 4.46Å; V275-L284 HydrophobicContact CG1-CG 4.44Å; V275-I288 HydrophobicContact CG1-CD1 3.7Å
276	F	97.5	Very high	96.6	Very high	21 Å²	21	63.4 Å²	63.4	9%	0.092	36%	0.359	C	S	.	.	H	α-helix	trans	-107	-11.1	-171.2	-57.5	-82.2	0	0	0	114.2	D154 A155 P156 E272 G285 I288 K289 Y329	D154-F276 HydrophobicContact CB-CB 4.25Å; D154-F276 WeakPolarHBondContact CB-O 3.38Å; D154-F276 WeakPolarHBondContact O-CD1 3.5Å; A155-F276 HydrophobicContact CB-CB 3.99Å; A155-F276 HydrophobicContact CB-CD2 3.82Å; A155-F276 HydrophobicContact CB-CG 3.96Å; P156-F276 HydrophobicContact CG-CE1 4.23Å; P156-F276 HydrophobicContact CG-CE2 4.45Å; P156-F276 HydrophobicContact CG-CZ 3.9Å; E272-F276 WeakPolarHBondContact O-CD2 3.3Å; E272-F276 PolarHBondContact O-N 3.09Å; F276-G285 WeakPolarHBondContact CE1-O 3.33Å; F276-I288 HydrophobicContact CE1-CB 4.44Å; F276-I288 HydrophobicContact CZ-CB 4.06Å; F276-I288 HydrophobicContact CZ-CD1 4.09Å; F276-I288 HydrophobicContact CZ-CG2 3.84Å; F276-K289 HydrophobicContact CE1-CG 4.29Å; F276-Y329 HydrophobicContact CD2-CE2 4.29Å; F276-Y329 HydrophobicContact CE2-CD2 4.01Å; F276-Y329 HydrophobicContact CE2-CE1 4.15Å; F276-Y329 AromaticContact CE2-CE2 3.52Å; F276-Y329 HydrophobicContact CE2-CE2 3.52Å; F276-Y329 AromaticContact CE2-CZ 3.59Å; F276-Y329 HydrophobicContact CZ-CE1 4.35Å; F276-Y329 HydrophobicContact CZ-CE2 4.46Å
277	G	91.6	Very high	96.5	Very high	19 Å²	19	64.6 Å²	64.6	20%	0.196	37%	0.37	C	S	.	.	S	Bend	trans	-70.6	179.5	-179.5	0	0	0	0	0	113.9	T273 T279 G280	T273-G277 WeakPolarHBondContact O-CA 3.33Å; T273-G277 PolarHBondContact O-N 3.27Å; G277-T279 PolarHBondContact O-N 3.12Å; G277-T279 VanDerWaalsContact O-N 3.1Å; G277-G280 PolarHBondContact O-N 3.42Å
278	P	93.6	Very high	96.6	Very high	132 Å²	132	60.8 Å²	60.8	86%	0.857	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.8	-175.4	-26.5	34.6	0	0	0	114.7
279	T	93	Very high	96.6	Very high	138 Å²	138	59.7 Å²	59.7	85%	0.847	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.9	1.6	178.2	53.8	0	0	0	0	113.3	G277	G277-T279 PolarHBondContact O-N 3.12Å; G277-T279 VanDerWaalsContact O-N 3.1Å
280	G	94.4	Very high	96.5	Very high	13 Å²	13	65.9 Å²	65.9	13%	0.134	36%	0.363	C	S	.	.	S	Bend	trans	-75.7	162.4	-178.2	0	0	0	0	0	113.5	S274 G277 K282	S274-G280 WeakPolarHBondContact O-CA 3.4Å; G277-G280 PolarHBondContact O-N 3.42Å; G280-K282 PolarHBondContact O-N 3.42Å; G280-K282 VanDerWaalsContact O-N 3.14Å
281	N	95.7	Very high	96.6	Very high	93 Å²	93	66.4 Å²	66.4	50%	0.497	37%	0.365	S	S	.	.			trans	-77.7	101.6	178.4	-176.4	-21.2	0	0	0	110.4	V275 T283 L284 G285	V275-N281 PolarHBondContact O-N 2.99Å; N281-T283 VanDerWaalsContact C-N 3.27Å; N281-T283 PolarHBondContact O-N 2.91Å; N281-T283 PolarHBondContact OD1-N 2.98Å; N281-T283 VanDerWaalsContact OD1-N 3.11Å; N281-L284 HydrophobicContact CB-CB 3.95Å; N281-L284 PolarHBondContact O-N 3.07Å; N281-L284 VanDerWaalsContact O-N 3.12Å; N281-L284 PolarHBondContact OD1-N 3.13Å; N281-G285 PolarHBondContact O-N 2.87Å
282	K	96.1	Very high	96.6	Very high	178 Å²	178	63.9 Å²	63.9	77%	0.774	35%	0.351	S	S	*	.	H	α-helix	trans	-56.4	-37.1	-178.2	-64.3	-174.2	179.3	-177.9	0	113.7	G280 L286	G280-K282 PolarHBondContact O-N 3.42Å; G280-K282 VanDerWaalsContact O-N 3.14Å; K282-L286 WeakPolarHBondContact O-CB 3.26Å; K282-L286 PolarHBondContact O-N 3Å
283	T	97.6	Very high	96.7	Very high	114 Å²	114	66.2 Å²	66.2	70%	0.699	36%	0.358	S	S	*	.	H	α-helix	trans	-67.2	-44.1	179.1	-54.4	0	0	0	0	110.6	N281 L286 A287	N281-T283 VanDerWaalsContact C-N 3.27Å; N281-T283 PolarHBondContact O-N 2.91Å; N281-T283 PolarHBondContact OD1-N 2.98Å; N281-T283 VanDerWaalsContact OD1-N 3.11Å; T283-L286 PolarHBondContact O-N 2.96Å; T283-A287 WeakPolarHBondContact O-CB 3.41Å; T283-A287 PolarHBondContact O-N 2.97Å
284	L	98	Very high	96.7	Very high	38 Å²	38	61.6 Å²	61.6	20%	0.199	33%	0.33	C	S	.	.	H	α-helix	trans	-65.6	-46.5	176.4	178.3	61.4	0	0	0	111.7	L269 V275 N281 L286 A287 I288 Y322	L269-L284 HydrophobicContact CB-CD2 4.31Å; L269-L284 HydrophobicContact CD1-CD1 4.37Å; L269-L284 HydrophobicContact CD2-CD2 4.4Å; V275-L284 HydrophobicContact CG1-CD2 4.46Å; V275-L284 HydrophobicContact CG1-CG 4.44Å; N281-L284 HydrophobicContact CB-CB 3.95Å; N281-L284 PolarHBondContact O-N 3.07Å; N281-L284 VanDerWaalsContact O-N 3.12Å; N281-L284 PolarHBondContact OD1-N 3.13Å; L284-L286 VanDerWaalsContact C-N 3.28Å; L284-L286 PolarHBondContact O-N 3.17Å; L284-A287 WeakPolarHBondContact O-CB 3.07Å; L284-A287 PolarHBondContact O-N 2.86Å; L284-A287 VanDerWaalsContact O-N 3.09Å; L284-I288 HydrophobicContact CD1-CD1 4.11Å; L284-I288 HydrophobicContact CD1-CG1 4.32Å; L284-I288 HydrophobicContact CG-CD1 3.98Å; L284-I288 WeakPolarHBondContact O-CG1 3.35Å; L284-I288 PolarHBondContact O-N 2.8Å; L284-Y322 HydrophobicContact CD1-CE1 4.07Å
285	G	98.1	Very high	96.6	Very high	5 Å²	5	61.2 Å²	61.2	5%	0.052	32%	0.322	C	S	.	.	H	α-helix	trans	-58.5	-40.9	177.2	0	0	0	0	0	112.2	F276 N281 I288 K289	F276-G285 WeakPolarHBondContact CE1-O 3.33Å; N281-G285 PolarHBondContact O-N 2.87Å; G285-I288 PolarHBondContact O-N 3.25Å; G285-K289 WeakPolarHBondContact O-CG 3.47Å; G285-K289 PolarHBondContact O-N 2.81Å
286	L	97.8	Very high	96.2	Very high	81 Å²	81	64.5 Å²	64.5	42%	0.424	34%	0.335	S	S	.	.	H	α-helix	trans	-67.2	-38.2	174.7	-175.6	60	0	0	0	112.5	K282 T283 L284 K289 R290	K282-L286 WeakPolarHBondContact O-CB 3.26Å; K282-L286 PolarHBondContact O-N 3Å; T283-L286 PolarHBondContact O-N 2.96Å; L284-L286 VanDerWaalsContact C-N 3.28Å; L284-L286 PolarHBondContact O-N 3.17Å; L286-K289 PolarHBondContact O-N 2.79Å; L286-R290 HydrophobicContact CD1-CG 4.43Å; L286-R290 WeakPolarHBondContact O-CB 3.29Å; L286-R290 VanDerWaalsContact O-CG 3.27Å; L286-R290 WeakPolarHBondContact O-CG 3.33Å; L286-R290 PolarHBondContact O-N 3.15Å
287	A	98.3	Very high	95.6	Very high	33 Å²	33	68.8 Å²	68.8	27%	0.273	37%	0.365	S	S	.	.	H	α-helix	trans	-61.7	-45.7	175.2	0	0	0	0	0	111.5	T283 L284 K289 R290 F291	T283-A287 WeakPolarHBondContact O-CB 3.41Å; T283-A287 PolarHBondContact O-N 2.97Å; L284-A287 WeakPolarHBondContact O-CB 3.07Å; L284-A287 PolarHBondContact O-N 2.86Å; L284-A287 VanDerWaalsContact O-N 3.09Å; A287-K289 PolarHBondContact O-N 3.37Å; A287-R290 PolarHBondContact O-N 3.03Å; A287-F291 PolarHBondContact O-N 3.49Å
288	I	98.6	Very high	95.1	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-62.6	-45	176.7	-65.4	164.7	0	0	0	111.1	L269 V275 F276 L284 G285 R290 F291 Y292 Y322 Y329	L269-I288 HydrophobicContact CD1-CD1 4.29Å; V275-I288 HydrophobicContact CG1-CD1 3.7Å; F276-I288 HydrophobicContact CE1-CB 4.44Å; F276-I288 HydrophobicContact CZ-CB 4.06Å; F276-I288 HydrophobicContact CZ-CD1 4.09Å; F276-I288 HydrophobicContact CZ-CG2 3.84Å; L284-I288 HydrophobicContact CD1-CD1 4.11Å; L284-I288 HydrophobicContact CD1-CG1 4.32Å; L284-I288 HydrophobicContact CG-CD1 3.98Å; L284-I288 WeakPolarHBondContact O-CG1 3.35Å; L284-I288 PolarHBondContact O-N 2.8Å; G285-I288 PolarHBondContact O-N 3.25Å; I288-R290 VanDerWaalsContact C-N 3.33Å; I288-R290 PolarHBondContact O-N 3.35Å; I288-F291 WeakPolarHBondContact O-CB 3.47Å; I288-F291 PolarHBondContact O-N 3.39Å; I288-Y292 HydrophobicContact CG2-CD2 3.63Å; I288-Y292 HydrophobicContact CG2-CE2 3.49Å; I288-Y292 VanDerWaalsContact CG2-CE2 3.49Å; I288-Y292 WeakPolarHBondContact O-CD2 3.41Å; I288-Y292 PolarHBondContact O-N 3.28Å; I288-Y322 HydrophobicContact CD1-CD1 4.24Å; I288-Y322 HydrophobicContact CD1-CE1 4.35Å; I288-Y322 HydrophobicContact CG1-CD1 3.55Å; I288-Y322 HydrophobicContact CG1-CD2 4.35Å; I288-Y322 HydrophobicContact CG1-CE1 3.63Å; I288-Y322 HydrophobicContact CG1-CE2 4.42Å; I288-Y322 HydrophobicContact CG1-CG 3.91Å; I288-Y329 HydrophobicContact CD1-CD1 4.31Å; I288-Y329 HydrophobicContact CD1-CG 4.46Å; I288-Y329 HydrophobicContact CG2-CD1 4.05Å; I288-Y329 HydrophobicContact CG2-CE1 3.96Å
289	K	98.2	Very high	94.6	Very high	55 Å²	55	74 Å²	74	24%	0.239	38%	0.378	C	S	.	.	H	α-helix	trans	-60	-42.8	175.4	-77.5	-175.6	165.4	-178.9	0	112	L149 M153 D154 P156 F276 G285 L286 A287 F291 Y292 Y293	L149-K289 WeakPolarHBondContact CD1-O 3.16Å; L149-K289 HydrophobicContact CD2-CG 4.17Å; M153-K289 PolarHBondContact O-NZ 3.25Å; M153-K289 VanDerWaalsContact O-NZ 3.1Å; D154-K289 WeakPolarHBondContact O-CE 3.48Å; D154-K289 PolarHBondContact O-NZ 3.19Å; P156-K289 HydrophobicContact CG-CG 4.4Å; F276-K289 HydrophobicContact CE1-CG 4.29Å; G285-K289 WeakPolarHBondContact O-CG 3.47Å; G285-K289 PolarHBondContact O-N 2.81Å; L286-K289 PolarHBondContact O-N 2.79Å; A287-K289 PolarHBondContact O-N 3.37Å; K289-F291 VanDerWaalsContact C-N 3.34Å; K289-Y292 PolarHBondContact O-N 2.98Å; K289-Y293 WeakPolarHBondContact O-CB 3.33Å; K289-Y293 PolarHBondContact O-N 2.8Å
290	R	97.8	Very high	94.5	Very high	173 Å²	173	70.1 Å²	70.1	65%	0.653	36%	0.356	S	S	*	.	H	α-helix	trans	-64.6	-38.3	176.8	-77.1	173.7	178.9	171.3	-0.8	112.2	L286 A287 I288 P294	L286-R290 HydrophobicContact CD1-CG 4.43Å; L286-R290 WeakPolarHBondContact O-CB 3.29Å; L286-R290 VanDerWaalsContact O-CG 3.27Å; L286-R290 WeakPolarHBondContact O-CG 3.33Å; L286-R290 PolarHBondContact O-N 3.15Å; A287-R290 PolarHBondContact O-N 3.03Å; I288-R290 VanDerWaalsContact C-N 3.33Å; I288-R290 PolarHBondContact O-N 3.35Å; R290-P294 WeakPolarHBondContact O-CD 3.48Å
291	F	98.4	Very high	94.3	Very high	14 Å²	14	74.6 Å²	74.6	6%	0.061	38%	0.381	C	S	.	.	H	α-helix	trans	-63.3	-43.5	174.9	171.8	-97.1	0	0	0	112	A287 I288 K289 P294 F295 A314 V315 F321 Y322	A287-F291 PolarHBondContact O-N 3.49Å; I288-F291 WeakPolarHBondContact O-CB 3.47Å; I288-F291 PolarHBondContact O-N 3.39Å; K289-F291 VanDerWaalsContact C-N 3.34Å; F291-P294 WeakPolarHBondContact O-CD 3.26Å; F291-F295 HydrophobicContact CD1-CE2 4.43Å; F291-F295 HydrophobicContact CE1-CE2 4.04Å; F291-F295 HydrophobicContact CE2-CE2 4.24Å; F291-F295 AromaticContact CZ-CE2 3.93Å; F291-F295 HydrophobicContact CZ-CE2 3.93Å; F291-F295 HydrophobicContact CZ-CZ 4.23Å; F291-F295 WeakPolarHBondContact O-CD2 3.26Å; F291-F295 VanDerWaalsContact O-CE2 3.26Å; F291-F295 WeakPolarHBondContact O-CE2 3.36Å; F291-A314 HydrophobicContact CD2-CB 4.15Å; F291-A314 HydrophobicContact CE2-CB 4.42Å; F291-V315 HydrophobicContact CE2-CG2 4.1Å; F291-F321 HydrophobicContact CE1-CD1 4.49Å; F291-F321 HydrophobicContact CE2-CD2 4.36Å; F291-F321 HydrophobicContact CE2-CG 4.42Å; F291-F321 HydrophobicContact CZ-CB 4.29Å; F291-F321 HydrophobicContact CZ-CD1 4.05Å; F291-F321 AromaticContact CZ-CD2 3.75Å; F291-F321 HydrophobicContact CZ-CD2 3.75Å; F291-F321 HydrophobicContact CZ-CE1 4.28Å; F291-F321 HydrophobicContact CZ-CE2 4.01Å; F291-F321 AromaticContact CZ-CG 3.75Å; F291-F321 HydrophobicContact CZ-CG 3.75Å; F291-F321 HydrophobicContact CZ-CZ 4.25Å; F291-Y322 HydrophobicContact CB-CD2 3.6Å; F291-Y322 HydrophobicContact CB-CE2 4.04Å; F291-Y322 AromaticContact CD1-CD2 3.83Å; F291-Y322 HydrophobicContact CD1-CD2 3.83Å; F291-Y322 HydrophobicContact CD1-CG 4.32Å; F291-Y322 HydrophobicContact CD2-CD2 4.03Å; F291-Y322 AromaticContact CG-CD2 3.55Å; F291-Y322 HydrophobicContact CG-CD2 3.55Å; F291-Y322 HydrophobicContact CG-CE2 4.34Å; F291-Y322 HydrophobicContact CG-CG 4.46Å
292	Y	98.3	Very high	94.1	Very high	7 Å²	7	77.8 Å²	77.8	3%	0.027	39%	0.39	C	S	.	.	H	α-helix	trans	-78	-26.2	-178.2	-75	-56.5	0	0	0	114.5	F146 P147 W158 I288 K289 F295 Y322 Y329	F146-Y292 AromaticContact CD1-CD1 3.98Å; F146-Y292 HydrophobicContact CD1-CD1 3.98Å; F146-Y292 HydrophobicContact CD1-CE1 4.07Å; P147-Y292 HydrophobicContact CG-CD1 3.93Å; P147-Y292 HydrophobicContact CG-CD2 3.69Å; P147-Y292 HydrophobicContact CG-CE1 4.28Å; P147-Y292 HydrophobicContact CG-CE2 4.06Å; P147-Y292 HydrophobicContact CG-CG 3.61Å; W158-Y292 HydrophobicContact CH2-CE1 4.3Å; W158-Y292 HydrophobicContact CZ2-CE1 4.42Å; W158-Y292 HydrophobicContact CZ2-CE2 4.38Å; W158-Y292 AromaticContact CZ2-CZ 3.94Å; I288-Y292 HydrophobicContact CG2-CD2 3.63Å; I288-Y292 HydrophobicContact CG2-CE2 3.49Å; I288-Y292 VanDerWaalsContact CG2-CE2 3.49Å; I288-Y292 WeakPolarHBondContact O-CD2 3.41Å; I288-Y292 PolarHBondContact O-N 3.28Å; K289-Y292 PolarHBondContact O-N 2.98Å; Y292-F295 PolarHBondContact O-N 3.46Å; Y292-F295 VanDerWaalsContact O-N 3.11Å; Y292-Y322 PolarHBondContact OH-O 3.49Å; Y292-Y329 HydrophobicContact CE2-CE1 4.04Å
293	Y	97	Very high	94	Very high	113 Å²	113	71 Å²	71	44%	0.443	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-49.5	-43.2	-176.6	-175	-92.2	0	0	0	115.5	L149 K289 F295 K296	L149-Y293 HydrophobicContact CD1-CD2 4.06Å; K289-Y293 WeakPolarHBondContact O-CB 3.33Å; K289-Y293 PolarHBondContact O-N 2.8Å; Y293-F295 VanDerWaalsContact C-N 3.27Å; Y293-F295 PolarHBondContact O-N 2.04Å; Y293-K296 HydrophobicContact CE2-CD 4.3Å; Y293-K296 WeakPolarHBondContact O-CD 3.4Å; Y293-K296 WeakPolarHBondContact O-CG 3.34Å; Y293-K296 PolarHBondContact O-N 3.01Å; Y293-K296 PolarHBondContact OH-NZ 3.06Å
294	P	96.8	Very high	93.7	Very high	9 Å²	9	69.8 Å²	69.8	6%	0.058	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-70.9	-20.7	-176.1	-18.4	34.4	0	0	0	113.7	R290 F291 K296 N307 Q310 I311	R290-P294 WeakPolarHBondContact O-CD 3.48Å; F291-P294 WeakPolarHBondContact O-CD 3.26Å; P294-K296 PolarHBondContact O-N 2.75Å; P294-N307 HydrophobicContact CB-CB 3.82Å; P294-N307 WeakPolarHBondContact O-CB 3.41Å; P294-N307 PolarHBondContact O-ND2 2.99Å; P294-Q310 HydrophobicContact CB-CB 4.24Å; P294-Q310 HydrophobicContact CG-CB 3.87Å; P294-I311 HydrophobicContact CB-CD1 4.11Å; P294-I311 HydrophobicContact CB-CG1 3.79Å
295	F	94.1	Very high	93.5	Very high	46 Å²	46	72.5 Å²	72.5	20%	0.202	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-79.8	-5.1	-177.5	-63.9	-81.1	0	0	0	113.7	F146 F291 Y292 Y293 I311	F146-F295 HydrophobicContact CB-CB 3.99Å; F146-F295 HydrophobicContact CD1-CB 3.84Å; F146-F295 HydrophobicContact CD1-CD1 4.04Å; F146-F295 AromaticContact CD1-CD2 3.99Å; F146-F295 HydrophobicContact CD1-CD2 3.99Å; F146-F295 AromaticContact CD1-CG 3.69Å; F146-F295 HydrophobicContact CD1-CG 3.69Å; F146-F295 HydrophobicContact CD2-CB 3.7Å; F146-F295 HydrophobicContact CD2-CD1 4Å; F146-F295 HydrophobicContact CD2-CG 4.06Å; F146-F295 HydrophobicContact CE1-CB 4.22Å; F146-F295 AromaticContact CE1-CD1 3.51Å; F146-F295 HydrophobicContact CE1-CD1 3.51Å; F146-F295 AromaticContact CE1-CD2 3.92Å; F146-F295 HydrophobicContact CE1-CD2 3.92Å; F146-F295 AromaticContact CE1-CE1 3.69Å; F146-F295 HydrophobicContact CE1-CE1 3.69Å; F146-F295 HydrophobicContact CE1-CE2 4.07Å; F146-F295 AromaticContact CE1-CG 3.62Å; F146-F295 HydrophobicContact CE1-CG 3.62Å; F146-F295 AromaticContact CE1-CZ 3.95Å; F146-F295 HydrophobicContact CE1-CZ 3.95Å; F146-F295 HydrophobicContact CE2-CB 4.1Å; F146-F295 AromaticContact CE2-CD1 3.47Å; F146-F295 HydrophobicContact CE2-CD1 3.47Å; F146-F295 VanDerWaalsContact CE2-CD1 3.47Å; F146-F295 HydrophobicContact CE2-CE1 4.12Å; F146-F295 AromaticContact CE2-CG 3.99Å; F146-F295 HydrophobicContact CE2-CG 3.99Å; F146-F295 HydrophobicContact CG-CB 3.55Å; F146-F295 HydrophobicContact CG-CD1 4.26Å; F146-F295 AromaticContact CG-CG 3.91Å; F146-F295 HydrophobicContact CG-CG 3.91Å; F146-F295 HydrophobicContact CZ-CB 4.34Å; F146-F295 AromaticContact CZ-CD1 3.2Å; F146-F295 HydrophobicContact CZ-CD1 3.2Å; F146-F295 HydrophobicContact CZ-CD2 4.46Å; F146-F295 AromaticContact CZ-CE1 3.41Å; F146-F295 HydrophobicContact CZ-CE1 3.41Å; F146-F295 VanDerWaalsContact CZ-CE1 3.41Å; F146-F295 AromaticContact CZ-CG 3.77Å; F146-F295 HydrophobicContact CZ-CG 3.77Å; F146-F295 HydrophobicContact CZ-CZ 4.13Å; F291-F295 HydrophobicContact CD1-CE2 4.43Å; F291-F295 HydrophobicContact CE1-CE2 4.04Å; F291-F295 HydrophobicContact CE2-CE2 4.24Å; F291-F295 AromaticContact CZ-CE2 3.93Å; F291-F295 HydrophobicContact CZ-CE2 3.93Å; F291-F295 HydrophobicContact CZ-CZ 4.23Å; F291-F295 WeakPolarHBondContact O-CD2 3.26Å; F291-F295 VanDerWaalsContact O-CE2 3.26Å; F291-F295 WeakPolarHBondContact O-CE2 3.36Å; Y292-F295 PolarHBondContact O-N 3.46Å; Y292-F295 VanDerWaalsContact O-N 3.11Å; Y293-F295 VanDerWaalsContact C-N 3.27Å; Y293-F295 PolarHBondContact O-N 2.04Å; F295-I311 HydrophobicContact CD1-CD1 3.64Å; F295-I311 HydrophobicContact CD1-CG1 4.14Å; F295-I311 HydrophobicContact CD2-CG1 4.46Å; F295-I311 HydrophobicContact CE1-CB 4.41Å; F295-I311 HydrophobicContact CE1-CD1 3.59Å; F295-I311 HydrophobicContact CE1-CG1 3.71Å; F295-I311 HydrophobicContact CE1-CG2 3.78Å; F295-I311 HydrophobicContact CE2-CG1 4.07Å; F295-I311 HydrophobicContact CG-CD1 4.21Å; F295-I311 HydrophobicContact CZ-CB 4.3Å; F295-I311 HydrophobicContact CZ-CD1 4.11Å; F295-I311 HydrophobicContact CZ-CG1 3.69Å; F295-I311 HydrophobicContact CZ-CG2 3.75Å
296	K	89.3	Confident	93.4	Very high	73 Å²	73	76.3 Å²	76.3	32%	0.317	38%	0.379	S	S	.	.	S	Bend	trans	-63.9	155.2	173.4	74.9	-174.9	175.3	147	0	111.1	Y293 P294 H298 E303	Y293-K296 HydrophobicContact CE2-CD 4.3Å; Y293-K296 WeakPolarHBondContact O-CD 3.4Å; Y293-K296 WeakPolarHBondContact O-CG 3.34Å; Y293-K296 PolarHBondContact O-N 3.01Å; Y293-K296 PolarHBondContact OH-NZ 3.06Å; P294-K296 PolarHBondContact O-N 2.75Å; K296-H298 PolarHBondContact O-N 2.87Å; K296-E303 WeakPolarHBondContact CE-OE1 3.13Å; K296-E303 IonicContact NZ-OE1 3.42Å; K296-E303 PolarHBondContact NZ-OE1 2.87Å
297	P	84.6	Confident	93.3	Very high	111 Å²	111	73 Å²	73	72%	0.721	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-53.8	134.1	170.4	-24.4	34.1	0	0	0	111.7
298	H	82.6	Confident	93.1	Very high	95 Å²	95	75.6 Å²	75.6	44%	0.44	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-88.7	145.8	179.5	57.1	-89.2	0	0	0	111.1	K296 E303 F304	K296-H298 PolarHBondContact O-N 2.87Å; H298-E303 HydrophobicContact CB-CB 4.45Å; H298-E303 HydrophobicContact CB-CG 4.37Å; H298-F304 HydrophobicContact CB-CB 4.08Å; H298-F304 AromaticContact CE1-CD2 3.48Å; H298-F304 VanDerWaalsContact CE1-CD2 3.48Å; H298-F304 WeakPolarHBondContact CE1-CD2 3.46Å; H298-F304 AromaticContact ND1-CD2 3.46Å; H298-F304 WeakPolarHBondContact ND1-CD2 3.34Å
299	L	82.6	Confident	93	Very high	166 Å²	166	81.2 Å²	81.2	87%	0.869	40%	0.4	S	S	*	.	S	Bend	trans	-93.6	-20.7	176.2	-62.4	177.1	0	0	0	112.6	E303	L299-E303 PolarHBondContact N-OE2 3.05Å
300	S	90.5	Very high	93	Very high	56 Å²	56	83.1 Å²	83.1	39%	0.392	41%	0.41	S	S	.	.	S	Bend	trans	-144.2	158.3	-178.2	69.2	0	0	0	0	112.2	K302 E303 F304	S300-K302 PolarHBondContact O-N 3.26Å; S300-E303 PolarHBondContact O-N 2.94Å; S300-E303 WeakPolarHBondContact OG-CB 3.47Å; S300-E303 PolarHBondContact OG-N 2.82Å; S300-F304 PolarHBondContact O-N 2.85Å
301	T	90.1	Very high	92.9	Very high	107 Å²	107	76.8 Å²	76.8	66%	0.656	39%	0.389	S	S	*	.	H	α-helix	trans	-60.5	-34	174.9	-46.8	0	0	0	0	112.4	F304 L305	T301-F304 WeakPolarHBondContact O-CB 3.42Å; T301-F304 PolarHBondContact O-N 3.5Å; T301-L305 WeakPolarHBondContact O-CG 3.05Å; T301-L305 PolarHBondContact O-N 3.29Å
302	K	92.3	Very high	92.9	Very high	159 Å²	159	81.8 Å²	81.8	69%	0.691	41%	0.411	S	S	*	.	H	α-helix	trans	-64.3	-46.9	176	-177.5	-178.1	177	-177.1	0	111.2	S300 F304 L305 L306	S300-K302 PolarHBondContact O-N 3.26Å; K302-F304 VanDerWaalsContact C-N 3.33Å; K302-L305 PolarHBondContact O-N 2.88Å; K302-L306 HydrophobicContact CG-CD1 4.26Å; K302-L306 WeakPolarHBondContact O-CG 3.04Å; K302-L306 PolarHBondContact O-N 2.9Å; K302-L306 VanDerWaalsContact O-N 3.07Å
303	E	92.8	Very high	92.8	Very high	36 Å²	36	84.9 Å²	84.9	17%	0.168	43%	0.428	C	S	.	.	H	α-helix	trans	-62.3	-42.6	175.9	-175.3	179.3	-163.6	0	0	110.9	K296 H298 L299 S300 L305 L306 N307	K296-E303 WeakPolarHBondContact CE-OE1 3.13Å; K296-E303 IonicContact NZ-OE1 3.42Å; K296-E303 PolarHBondContact NZ-OE1 2.87Å; H298-E303 HydrophobicContact CB-CB 4.45Å; H298-E303 HydrophobicContact CB-CG 4.37Å; L299-E303 PolarHBondContact N-OE2 3.05Å; S300-E303 PolarHBondContact O-N 2.94Å; S300-E303 WeakPolarHBondContact OG-CB 3.47Å; S300-E303 PolarHBondContact OG-N 2.82Å; E303-L305 PolarHBondContact O-N 3.49Å; E303-L306 PolarHBondContact O-N 3.19Å; E303-N307 WeakPolarHBondContact O-CB 3.18Å; E303-N307 VanDerWaalsContact O-CG 3.24Å; E303-N307 PolarHBondContact O-N 2.96Å; E303-N307 PolarHBondContact O-OD1 2.83Å
304	F	92.2	Very high	92.8	Very high	88 Å²	88	80.4 Å²	80.4	39%	0.386	41%	0.414	S	S	.	.	H	α-helix	trans	-55.3	-50.1	174.9	174.9	-103.9	0	0	0	112.7	H298 S300 T301 K302 L306 N307 L308	H298-F304 HydrophobicContact CB-CB 4.08Å; H298-F304 AromaticContact CE1-CD2 3.48Å; H298-F304 VanDerWaalsContact CE1-CD2 3.48Å; H298-F304 WeakPolarHBondContact CE1-CD2 3.46Å; H298-F304 AromaticContact ND1-CD2 3.46Å; H298-F304 WeakPolarHBondContact ND1-CD2 3.34Å; S300-F304 PolarHBondContact O-N 2.85Å; T301-F304 WeakPolarHBondContact O-CB 3.42Å; T301-F304 PolarHBondContact O-N 3.5Å; K302-F304 VanDerWaalsContact C-N 3.33Å; F304-L306 PolarHBondContact O-N 3.05Å; F304-N307 PolarHBondContact O-N 2.85Å; F304-L308 HydrophobicContact CE1-CD2 4.42Å; F304-L308 WeakPolarHBondContact O-CB 3.3Å; F304-L308 PolarHBondContact O-N 2.84Å
305	L	94	Very high	92.9	Very high	95 Å²	95	80.1 Å²	80.1	50%	0.497	41%	0.412	S	S	.	.	H	α-helix	trans	-64	-40.9	179.8	-71.7	173.1	0	0	0	112.1	T301 K302 E303 L308 L309	T301-L305 WeakPolarHBondContact O-CG 3.05Å; T301-L305 PolarHBondContact O-N 3.29Å; K302-L305 PolarHBondContact O-N 2.88Å; E303-L305 PolarHBondContact O-N 3.49Å; L305-L308 PolarHBondContact O-N 3.24Å; L305-L309 WeakPolarHBondContact O-CG 3.2Å; L305-L309 PolarHBondContact O-N 2.71Å
306	L	95.2	Very high	93	Very high	86 Å²	86	80.2 Å²	80.2	45%	0.45	41%	0.414	S	S	.	.	H	α-helix	trans	-63.3	-44.5	175.9	-70.8	172.2	0	0	0	111.5	K302 E303 F304 L308 L309 Q310	K302-L306 HydrophobicContact CG-CD1 4.26Å; K302-L306 WeakPolarHBondContact O-CG 3.04Å; K302-L306 PolarHBondContact O-N 2.9Å; K302-L306 VanDerWaalsContact O-N 3.07Å; E303-L306 PolarHBondContact O-N 3.19Å; F304-L306 PolarHBondContact O-N 3.05Å; L306-L308 VanDerWaalsContact C-N 3.35Å; L306-L309 PolarHBondContact O-N 2.77Å; L306-Q310 WeakPolarHBondContact O-CG 3.45Å; L306-Q310 PolarHBondContact O-N 3.25Å
307	N	95.3	Very high	93.3	Very high	10 Å²	10	81 Å²	81	5%	0.053	43%	0.425	C	S	.	.	H	α-helix	trans	-64.3	-41.5	177.6	-72.4	2.9	0	0	0	111.3	P294 E303 F304 L309 Q310 I311	P294-N307 HydrophobicContact CB-CB 3.82Å; P294-N307 WeakPolarHBondContact O-CB 3.41Å; P294-N307 PolarHBondContact O-ND2 2.99Å; E303-N307 WeakPolarHBondContact O-CB 3.18Å; E303-N307 VanDerWaalsContact O-CG 3.24Å; E303-N307 PolarHBondContact O-N 2.96Å; E303-N307 PolarHBondContact O-OD1 2.83Å; F304-N307 PolarHBondContact O-N 2.85Å; N307-L309 VanDerWaalsContact C-N 3.34Å; N307-L309 PolarHBondContact O-N 2.91Å; N307-Q310 PolarHBondContact O-N 3Å; N307-I311 VanDerWaalsContact O-CG1 3.25Å; N307-I311 WeakPolarHBondContact O-CG1 3.42Å; N307-I311 PolarHBondContact O-N 3.43Å
308	L	94.8	Very high	94	Very high	89 Å²	89	80.6 Å²	80.6	47%	0.466	41%	0.413	S	S	.	.	H	α-helix	trans	-60.7	-42.9	176.8	-178	62.7	0	0	0	111.8	F304 L305 L306 I311 F312	F304-L308 HydrophobicContact CE1-CD2 4.42Å; F304-L308 WeakPolarHBondContact O-CB 3.3Å; F304-L308 PolarHBondContact O-N 2.84Å; L305-L308 PolarHBondContact O-N 3.24Å; L306-L308 VanDerWaalsContact C-N 3.35Å; L308-I311 PolarHBondContact O-N 3.38Å; L308-F312 WeakPolarHBondContact O-CB 3.43Å; L308-F312 PolarHBondContact O-N 2.94Å
309	L	96.8	Very high	94.7	Very high	118 Å²	118	82.8 Å²	82.8	62%	0.618	42%	0.418	S	S	*	.	H	α-helix	trans	-63.3	-41.2	175.2	-70.8	170.8	0	0	0	111.8	L305 L306 N307 F312 D313	L305-L309 WeakPolarHBondContact O-CG 3.2Å; L305-L309 PolarHBondContact O-N 2.71Å; L306-L309 PolarHBondContact O-N 2.77Å; N307-L309 VanDerWaalsContact C-N 3.34Å; N307-L309 PolarHBondContact O-N 2.91Å; L309-F312 PolarHBondContact O-N 3.43Å; L309-D313 VanDerWaalsContact O-CB 3.3Å; L309-D313 WeakPolarHBondContact O-CB 3.4Å; L309-D313 PolarHBondContact O-N 2.86Å
310	Q	97.2	Very high	95.5	Very high	94 Å²	94	78.5 Å²	78.5	44%	0.439	39%	0.393	S	S	.	.	H	α-helix	trans	-64.6	-40.6	176.7	-71.6	173	7.2	0	0	112.1	P294 L306 N307 D313 A314	P294-Q310 HydrophobicContact CB-CB 4.24Å; P294-Q310 HydrophobicContact CG-CB 3.87Å; L306-Q310 WeakPolarHBondContact O-CG 3.45Å; L306-Q310 PolarHBondContact O-N 3.25Å; N307-Q310 PolarHBondContact O-N 3Å; Q310-D313 PolarHBondContact O-N 3.48Å; Q310-A314 WeakPolarHBondContact O-CB 3.46Å; Q310-A314 PolarHBondContact O-N 2.73Å
311	I	97	Very high	95.9	Very high	41 Å²	41	76 Å²	76	21%	0.21	38%	0.375	C	S	.	.	H	α-helix	trans	-64.3	-45.8	175.6	-66.9	163.5	0	0	0	110.3	P294 F295 N307 L308 D313 A314 V315	P294-I311 HydrophobicContact CB-CD1 4.11Å; P294-I311 HydrophobicContact CB-CG1 3.79Å; F295-I311 HydrophobicContact CD1-CD1 3.64Å; F295-I311 HydrophobicContact CD1-CG1 4.14Å; F295-I311 HydrophobicContact CD2-CG1 4.46Å; F295-I311 HydrophobicContact CE1-CB 4.41Å; F295-I311 HydrophobicContact CE1-CD1 3.59Å; F295-I311 HydrophobicContact CE1-CG1 3.71Å; F295-I311 HydrophobicContact CE1-CG2 3.78Å; F295-I311 HydrophobicContact CE2-CG1 4.07Å; F295-I311 HydrophobicContact CG-CD1 4.21Å; F295-I311 HydrophobicContact CZ-CB 4.3Å; F295-I311 HydrophobicContact CZ-CD1 4.11Å; F295-I311 HydrophobicContact CZ-CG1 3.69Å; F295-I311 HydrophobicContact CZ-CG2 3.75Å; N307-I311 VanDerWaalsContact O-CG1 3.25Å; N307-I311 WeakPolarHBondContact O-CG1 3.42Å; N307-I311 PolarHBondContact O-N 3.43Å; L308-I311 PolarHBondContact O-N 3.38Å; I311-D313 PolarHBondContact O-N 2.75Å; I311-A314 PolarHBondContact O-N 2.79Å; I311-V315 HydrophobicContact CG2-CG2 4.26Å; I311-V315 WeakPolarHBondContact O-CB 3.41Å; I311-V315 WeakPolarHBondContact O-CG2 3.5Å; I311-V315 PolarHBondContact O-N 2.97Å
312	F	96.5	Very high	96.3	Very high	119 Å²	119	71.8 Å²	71.8	52%	0.522	35%	0.347	S	S	.	.	H	α-helix	trans	-61.7	-44.6	178	-171.8	-87.5	0	0	0	111.5	L308 L309 I316 V317	L308-F312 WeakPolarHBondContact O-CB 3.43Å; L308-F312 PolarHBondContact O-N 2.94Å; L309-F312 PolarHBondContact O-N 3.43Å; F312-I316 HydrophobicContact CD1-CB 4.34Å; F312-I316 HydrophobicContact CD2-CB 4.3Å; F312-I316 HydrophobicContact CD2-CG1 3.79Å; F312-I316 HydrophobicContact CE1-CB 4.19Å; F312-I316 HydrophobicContact CE1-CG2 4.2Å; F312-I316 HydrophobicContact CE2-CB 4.15Å; F312-I316 HydrophobicContact CE2-CG1 3.85Å; F312-I316 HydrophobicContact CE2-CG2 4.14Å; F312-I316 HydrophobicContact CG-CB 4.4Å; F312-I316 HydrophobicContact CG-CG1 4.21Å; F312-I316 HydrophobicContact CZ-CB 4.09Å; F312-I316 HydrophobicContact CZ-CG1 4.31Å; F312-I316 HydrophobicContact CZ-CG2 3.82Å; F312-I316 WeakPolarHBondContact O-CA 3.34Å; F312-I316 VanDerWaalsContact O-CB 3.22Å; F312-I316 WeakPolarHBondContact O-CB 3.46Å; F312-I316 PolarHBondContact O-N 3.21Å; F312-V317 HydrophobicContact CD1-CG2 4.16Å; F312-V317 HydrophobicContact CE1-CG2 4.08Å; F312-V317 PolarHBondContact O-N 2.87Å
313	D	97.6	Very high	96.6	Very high	72 Å²	72	64.3 Å²	64.3	39%	0.385	32%	0.315	S	S	.	.	I	π-helix	trans	-61.1	-47	177.5	-176	67.4	0	0	0	112	L309 Q310 I311 V317 H318	L309-D313 VanDerWaalsContact O-CB 3.3Å; L309-D313 WeakPolarHBondContact O-CB 3.4Å; L309-D313 PolarHBondContact O-N 2.86Å; Q310-D313 PolarHBondContact O-N 3.48Å; I311-D313 PolarHBondContact O-N 2.75Å; D313-V317 VanDerWaalsContact O-CB 3.3Å; D313-V317 WeakPolarHBondContact O-CB 3.43Å; D313-V317 PolarHBondContact O-N 3.49Å; D313-H318 VanDerWaalsContact CG-CE1 3.48Å; D313-H318 PolarHBondContact O-N 2.98Å; D313-H318 PolarHBondContact O-ND1 2.93Å; D313-H318 IonicContact OD1-CE1 2.86Å; D313-H318 PolarHBondContact OD1-CE1 3.09Å; D313-H318 VanDerWaalsContact OD1-CE1 3.27Å; D313-H318 IonicContact OD1-ND1 3.91Å; D313-H318 PolarHBondContact OD1-ND1 3.46Å; D313-H318 IonicContact OD2-CE1 3.67Å; D313-H318 PolarHBondContact OD2-CE1 2.79Å; D313-H318 IonicContact OD2-ND1 3.72Å; D313-H318 PolarHBondContact OD2-ND1 3.34Å; D313-H318 VanDerWaalsContact OD2-ND1 3.12Å
314	A	97.5	Very high	96.9	Very high	18 Å²	18	62.8 Å²	62.8	15%	0.149	31%	0.308	C	S	.	.	I	π-helix	trans	-66	-53.6	178.1	0	0	0	0	0	112.2	F291 Q310 I311 H318 R319 E320	F291-A314 HydrophobicContact CD2-CB 4.15Å; F291-A314 HydrophobicContact CE2-CB 4.42Å; Q310-A314 WeakPolarHBondContact O-CB 3.46Å; Q310-A314 PolarHBondContact O-N 2.73Å; I311-A314 PolarHBondContact O-N 2.79Å; A314-H318 CarbonylContact O-C 3.59Å; A314-R319 PolarHBondContact O-N 3.41Å; A314-E320 PolarHBondContact O-N 3.36Å
315	V	97.2	Very high	97.2	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.018	29%	0.29	C	S	.	.	I	π-helix	trans	-79.5	-35	-168.5	-179.5	0	0	0	0	112.7	F291 I311 R319 F321 M334 I339	F291-V315 HydrophobicContact CE2-CG2 4.1Å; I311-V315 HydrophobicContact CG2-CG2 4.26Å; I311-V315 WeakPolarHBondContact O-CB 3.41Å; I311-V315 WeakPolarHBondContact O-CG2 3.5Å; I311-V315 PolarHBondContact O-N 2.97Å; V315-R319 WeakPolarHBondContact O-CA 3.39Å; V315-F321 HydrophobicContact CG1-CD2 4.33Å; V315-F321 HydrophobicContact CG2-CD2 3.97Å; V315-M334 HydrophobicContact CG1-CE 4.28Å; V315-M334 HydrophobicContact CG1-CG 4.49Å; V315-I339 HydrophobicContact CG1-CD1 4.37Å
316	I	96.1	Very high	97.4	Very high	49 Å²	49	54.8 Å²	54.8	25%	0.251	27%	0.269	S	S	.	.	I	π-helix	trans	-103.7	-47.7	-172.5	-49.7	-60.8	0	0	0	111.7	F312 F338	F312-I316 HydrophobicContact CD1-CB 4.34Å; F312-I316 HydrophobicContact CD2-CB 4.3Å; F312-I316 HydrophobicContact CD2-CG1 3.79Å; F312-I316 HydrophobicContact CE1-CB 4.19Å; F312-I316 HydrophobicContact CE1-CG2 4.2Å; F312-I316 HydrophobicContact CE2-CB 4.15Å; F312-I316 HydrophobicContact CE2-CG1 3.85Å; F312-I316 HydrophobicContact CE2-CG2 4.14Å; F312-I316 HydrophobicContact CG-CB 4.4Å; F312-I316 HydrophobicContact CG-CG1 4.21Å; F312-I316 HydrophobicContact CZ-CB 4.09Å; F312-I316 HydrophobicContact CZ-CG1 4.31Å; F312-I316 HydrophobicContact CZ-CG2 3.82Å; F312-I316 WeakPolarHBondContact O-CA 3.34Å; F312-I316 VanDerWaalsContact O-CB 3.22Å; F312-I316 WeakPolarHBondContact O-CB 3.46Å; F312-I316 PolarHBondContact O-N 3.21Å; I316-F338 HydrophobicContact CD1-CB 3.63Å; I316-F338 HydrophobicContact CD1-CD1 4.03Å; I316-F338 HydrophobicContact CD1-CD2 3.57Å; I316-F338 HydrophobicContact CD1-CE2 4.17Å; I316-F338 HydrophobicContact CD1-CG 3.47Å; I316-F338 VanDerWaalsContact CD1-CG 3.47Å; I316-F338 HydrophobicContact CG2-CD2 4.36Å; I316-F338 HydrophobicContact CG2-CE2 3.9Å; I316-F338 HydrophobicContact CG2-CZ 4.1Å
317	V	97.4	Very high	97.5	Very high	88 Å²	88	53.7 Å²	53.7	53%	0.533	26%	0.261	S	S	.	.	I	π-helix	trans	-76.9	-55.9	-176.8	-178.6	0	0	0	0	110.3	F312 D313	F312-V317 HydrophobicContact CD1-CG2 4.16Å; F312-V317 HydrophobicContact CE1-CG2 4.08Å; F312-V317 PolarHBondContact O-N 2.87Å; D313-V317 VanDerWaalsContact O-CB 3.3Å; D313-V317 WeakPolarHBondContact O-CB 3.43Å; D313-V317 PolarHBondContact O-N 3.49Å
318	H	98.1	Very high	97.7	Very high	104 Å²	104	55.7 Å²	55.7	48%	0.481	27%	0.27	S	S	.	.	S	Bend	trans	-82.9	-16.9	-179.9	-65.2	91.1	0	0	0	113.2	D313 A314 E320	D313-H318 VanDerWaalsContact CG-CE1 3.48Å; D313-H318 PolarHBondContact O-N 2.98Å; D313-H318 PolarHBondContact O-ND1 2.93Å; D313-H318 IonicContact OD1-CE1 2.86Å; D313-H318 PolarHBondContact OD1-CE1 3.09Å; D313-H318 VanDerWaalsContact OD1-CE1 3.27Å; D313-H318 IonicContact OD1-ND1 3.91Å; D313-H318 PolarHBondContact OD1-ND1 3.46Å; D313-H318 IonicContact OD2-CE1 3.67Å; D313-H318 PolarHBondContact OD2-CE1 2.79Å; D313-H318 IonicContact OD2-ND1 3.72Å; D313-H318 PolarHBondContact OD2-ND1 3.34Å; D313-H318 VanDerWaalsContact OD2-ND1 3.12Å; A314-H318 CarbonylContact O-C 3.59Å; H318-E320 VanDerWaalsContact C-N 3.32Å; H318-E320 HydrophobicContact CB-CG 4Å; H318-E320 PolarHBondContact O-N 3.46Å
319	R	98.3	Very high	97.9	Very high	141 Å²	141	51.5 Å²	51.5	53%	0.532	25%	0.248	S	C	.	.			trans	61.8	39	178	-49.9	-172.3	178.9	-176.1	0	113.1	A314 V315 M334 F338	A314-R319 PolarHBondContact O-N 3.41Å; V315-R319 WeakPolarHBondContact O-CA 3.39Å; R319-M334 HydrophobicContact CB-CB 4.12Å; R319-M334 PolarHBondContact O-N 3.4Å; R319-F338 HydrophobicContact CG-CE1 4.06Å
320	E	98.1	Very high	97.9	Very high	75 Å²	75	46.2 Å²	46.2	35%	0.35	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	129.7	-177.1	-60.1	-174	156.9	0	0	109.9	A314 H318 F331	A314-E320 PolarHBondContact O-N 3.36Å; H318-E320 VanDerWaalsContact C-N 3.32Å; H318-E320 HydrophobicContact CB-CG 4Å; H318-E320 PolarHBondContact O-N 3.46Å; E320-F331 HydrophobicContact CB-CE2 3.85Å; E320-F331 HydrophobicContact CB-CZ 4.43Å; E320-F331 HydrophobicContact CG-CE2 3.83Å; E320-F331 HydrophobicContact CG-CZ 4.05Å
321	F	98.7	Very high	98	Very high	4 Å²	4	44 Å²	44	2%	0.018	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	133.1	168.2	-163.6	-72.8	0	0	0	109.4	W212 L261 F291 V315 L332 M334	W212-F321 AromaticContact CE2-CZ 3.87Å; W212-F321 HydrophobicContact CZ2-CZ 4.02Å; W212-F321 AromaticContact NE1-CZ 3.87Å; L261-F321 HydrophobicContact CD1-CD1 3.81Å; L261-F321 HydrophobicContact CD1-CD2 4.21Å; L261-F321 HydrophobicContact CD1-CE1 3.56Å; L261-F321 HydrophobicContact CD1-CE2 3.98Å; L261-F321 HydrophobicContact CD1-CG 4.14Å; L261-F321 HydrophobicContact CD1-CZ 3.66Å; L261-F321 HydrophobicContact CD2-CD2 4.39Å; L261-F321 HydrophobicContact CD2-CE2 4.08Å; L261-F321 HydrophobicContact CD2-CZ 4.43Å; F291-F321 HydrophobicContact CE1-CD1 4.49Å; F291-F321 HydrophobicContact CE2-CD2 4.36Å; F291-F321 HydrophobicContact CE2-CG 4.42Å; F291-F321 HydrophobicContact CZ-CB 4.29Å; F291-F321 HydrophobicContact CZ-CD1 4.05Å; F291-F321 AromaticContact CZ-CD2 3.75Å; F291-F321 HydrophobicContact CZ-CD2 3.75Å; F291-F321 HydrophobicContact CZ-CE1 4.28Å; F291-F321 HydrophobicContact CZ-CE2 4.01Å; F291-F321 AromaticContact CZ-CG 3.75Å; F291-F321 HydrophobicContact CZ-CG 3.75Å; F291-F321 HydrophobicContact CZ-CZ 4.25Å; V315-F321 HydrophobicContact CG1-CD2 4.33Å; V315-F321 HydrophobicContact CG2-CD2 3.97Å; F321-L332 HydrophobicContact CB-CB 4.13Å; F321-L332 HydrophobicContact CB-CD1 4.4Å; F321-L332 HydrophobicContact CD1-CD1 3.93Å; F321-L332 HydrophobicContact CG-CD1 4.43Å; F321-L332 PolarHBondContact N-O 2.91Å; F321-L332 PolarHBondContact O-N 2.99Å; F321-M334 HydrophobicContact CB-CG 3.63Å; F321-M334 HydrophobicContact CB-SD 3.48Å; F321-M334 WeakPolarHBondContact CB-SD 3.44Å; F321-M334 HydrophobicContact CD2-SD 4.48Å; F321-M334 HydrophobicContact CG-SD 4.17Å
322	Y	98.8	Very high	98.1	Very high	19 Å²	19	42 Å²	42	8%	0.075	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	118.7	173.2	-67.3	-81.1	0	0	0	109	L269 L284 I288 F291 Y292 W330 F331	L269-Y322 HydrophobicContact CD1-CD1 3.56Å; L269-Y322 HydrophobicContact CD1-CE1 3.65Å; L284-Y322 HydrophobicContact CD1-CE1 4.07Å; I288-Y322 HydrophobicContact CD1-CD1 4.24Å; I288-Y322 HydrophobicContact CD1-CE1 4.35Å; I288-Y322 HydrophobicContact CG1-CD1 3.55Å; I288-Y322 HydrophobicContact CG1-CD2 4.35Å; I288-Y322 HydrophobicContact CG1-CE1 3.63Å; I288-Y322 HydrophobicContact CG1-CE2 4.42Å; I288-Y322 HydrophobicContact CG1-CG 3.91Å; F291-Y322 HydrophobicContact CB-CD2 3.6Å; F291-Y322 HydrophobicContact CB-CE2 4.04Å; F291-Y322 AromaticContact CD1-CD2 3.83Å; F291-Y322 HydrophobicContact CD1-CD2 3.83Å; F291-Y322 HydrophobicContact CD1-CG 4.32Å; F291-Y322 HydrophobicContact CD2-CD2 4.03Å; F291-Y322 AromaticContact CG-CD2 3.55Å; F291-Y322 HydrophobicContact CG-CD2 3.55Å; F291-Y322 HydrophobicContact CG-CE2 4.34Å; F291-Y322 HydrophobicContact CG-CG 4.46Å; Y292-Y322 PolarHBondContact OH-O 3.49Å; Y322-W330 WeakPolarHBondContact CA-O 3.48Å; Y322-F331 HydrophobicContact CD1-CD2 4.39Å; Y322-F331 AromaticContact CE1-CD2 3.98Å; Y322-F331 HydrophobicContact CE1-CD2 3.98Å
323	L	98.8	Very high	98.2	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.01	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	137	178.3	178.6	72.3	0	0	0	109.7	W212 V214 F226 Y329 W330 L332	W212-L323 HydrophobicContact CB-CD1 4.23Å; W212-L323 HydrophobicContact CG-CD1 4.37Å; V214-L323 HydrophobicContact CG2-CD2 4.03Å; F226-L323 HydrophobicContact CB-CD2 4.5Å; F226-L323 HydrophobicContact CD1-CD2 4.28Å; F226-L323 HydrophobicContact CD2-CD2 3.46Å; F226-L323 VanDerWaalsContact CD2-CD2 3.46Å; F226-L323 HydrophobicContact CE1-CD2 4.39Å; F226-L323 HydrophobicContact CE2-CD2 3.59Å; F226-L323 HydrophobicContact CG-CD2 3.84Å; F226-L323 HydrophobicContact CZ-CD2 4.09Å; L323-Y329 WeakPolarHBondContact O-CA 3.19Å; L323-W330 HydrophobicContact CB-CB 4.31Å; L323-W330 PolarHBondContact N-O 2.86Å; L323-W330 PolarHBondContact O-N 3.17Å; L323-L332 HydrophobicContact CB-CD1 3.89Å; L323-L332 HydrophobicContact CB-CD2 4.26Å; L323-L332 HydrophobicContact CB-CG 4Å; L323-L332 HydrophobicContact CD2-CD1 4.37Å; L323-L332 HydrophobicContact CD2-CD2 4.3Å
324	F	98.8	Very high	98.2	Very high	4 Å²	4	35.2 Å²	35.2	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115	168	-173	-111	0	0	0	109	W158 E272 F327 E328 Y329	W158-F324 HydrophobicContact CB-CE1 4.38Å; W158-F324 AromaticContact CD1-CD1 3.97Å; W158-F324 AromaticContact CD1-CE1 3.53Å; W158-F324 AromaticContact CD1-CZ 3.6Å; W158-F324 AromaticContact CD2-CD1 3.6Å; W158-F324 HydrophobicContact CD2-CD1 3.6Å; W158-F324 AromaticContact CD2-CE1 3.8Å; W158-F324 HydrophobicContact CD2-CE1 3.8Å; W158-F324 HydrophobicContact CD2-CG 4.23Å; W158-F324 AromaticContact CE2-CD1 3.34Å; W158-F324 AromaticContact CE2-CE1 3.78Å; W158-F324 AromaticContact CE2-CG 3.49Å; W158-F324 VanDerWaalsContact CE2-CG 3.49Å; W158-F324 HydrophobicContact CE3-CD1 4.1Å; W158-F324 HydrophobicContact CG-CD1 4.01Å; W158-F324 AromaticContact CG-CE1 3.67Å; W158-F324 HydrophobicContact CG-CE1 3.67Å; W158-F324 HydrophobicContact CG-CZ 4.19Å; W158-F324 HydrophobicContact CH2-CB 3.6Å; W158-F324 HydrophobicContact CH2-CD1 4.16Å; W158-F324 HydrophobicContact CH2-CG 4.17Å; W158-F324 HydrophobicContact CZ2-CB 3.22Å; W158-F324 AromaticContact CZ2-CD1 3.7Å; W158-F324 HydrophobicContact CZ2-CD1 3.7Å; W158-F324 HydrophobicContact CZ2-CD2 4.26Å; W158-F324 AromaticContact CZ2-CG 3.49Å; W158-F324 HydrophobicContact CZ2-CG 3.49Å; W158-F324 VanDerWaalsContact CZ2-CG 3.49Å; W158-F324 HydrophobicContact CZ3-CB 4.47Å; W158-F324 HydrophobicContact CZ3-CD1 4.34Å; W158-F324 AromaticContact NE1-CD1 3.58Å; W158-F324 AromaticContact NE1-CD2 3.77Å; W158-F324 AromaticContact NE1-CE1 3.59Å; W158-F324 AromaticContact NE1-CE2 3.77Å; W158-F324 AromaticContact NE1-CG 3.65Å; W158-F324 AromaticContact NE1-CZ 3.65Å; E272-F324 HydrophobicContact CG-CE2 4.34Å; F324-F327 HydrophobicContact CE1-CD1 4.16Å; F324-F327 VanDerWaalsContact CZ-CA 3.45Å; F324-F327 HydrophobicContact CZ-CB 4.07Å; F324-F327 AromaticContact CZ-CD1 3.95Å; F324-F327 HydrophobicContact CZ-CD1 3.95Å; F324-F327 HydrophobicContact CZ-CG 4.28Å; F324-E328 CarbonylContact C-O 3.53Å; F324-E328 WeakPolarHBondContact CA-O 3.39Å; F324-Y329 HydrophobicContact CD2-CD1 4.12Å; F324-Y329 HydrophobicContact CD2-CD2 4.09Å; F324-Y329 AromaticContact CD2-CE1 3.76Å; F324-Y329 HydrophobicContact CD2-CE1 3.76Å; F324-Y329 AromaticContact CD2-CE2 3.69Å; F324-Y329 HydrophobicContact CD2-CE2 3.69Å; F324-Y329 HydrophobicContact CD2-CG 4.27Å; F324-Y329 AromaticContact CD2-CZ 3.53Å; F324-Y329 HydrophobicContact CE2-CD2 4.26Å; F324-Y329 HydrophobicContact CE2-CE1 4.4Å; F324-Y329 AromaticContact CE2-CE2 3.61Å; F324-Y329 HydrophobicContact CE2-CE2 3.61Å; F324-Y329 AromaticContact CE2-CZ 3.71Å
325	Y	98.7	Very high	98.2	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.012	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	136.6	-176.8	-161.9	-87.1	0	0	0	109.3	V55 E210 F226 D227 F327 E328	V55-Y325 HydrophobicContact CG1-CD1 4.35Å; V55-Y325 HydrophobicContact CG1-CE1 4.33Å; E210-Y325 HydrophobicContact CB-CE2 4.46Å; E210-Y325 HydrophobicContact CG-CD2 3.73Å; E210-Y325 HydrophobicContact CG-CE2 3.72Å; F226-Y325 HydrophobicContact CB-CD2 4.23Å; F226-Y325 HydrophobicContact CB-CE2 4.04Å; F226-Y325 AromaticContact CD1-CD1 3.54Å; F226-Y325 HydrophobicContact CD1-CD1 3.54Å; F226-Y325 AromaticContact CD1-CD2 3.76Å; F226-Y325 HydrophobicContact CD1-CD2 3.76Å; F226-Y325 AromaticContact CD1-CE1 3.81Å; F226-Y325 HydrophobicContact CD1-CE1 3.81Å; F226-Y325 HydrophobicContact CD1-CE2 4.02Å; F226-Y325 AromaticContact CD1-CG 3.52Å; F226-Y325 HydrophobicContact CD1-CG 3.52Å; F226-Y325 AromaticContact CE1-CD1 3.78Å; F226-Y325 HydrophobicContact CE1-CD1 3.78Å; F226-Y325 HydrophobicContact CE1-CE1 4.39Å; F226-Y325 AromaticContact CE1-CG 3.85Å; F226-Y325 HydrophobicContact CE1-CG 3.85Å; F226-Y325 HydrophobicContact CG-CD2 4.24Å; F226-Y325 HydrophobicContact CG-CE2 4.43Å; F226-Y325 HydrophobicContact CG-CG 4.38Å; D227-Y325 WeakPolarHBondContact O-CE2 3.31Å; D227-Y325 PolarHBondContact O-OH 2.85Å; Y325-F327 PolarHBondContact O-N 2.7Å; Y325-E328 PolarHBondContact N-O 3.25Å; Y325-E328 WeakPolarHBondContact O-CB 3.47Å; Y325-E328 PolarHBondContact O-N 3Å
326	N	98.3	Very high	98.2	Very high	12 Å²	12	46.8 Å²	46.8	6%	0.064	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	30.1	-175.7	-68.9	-21.5	0	0	0	115	P56 K58 Y208 E328	P56-N326 PolarHBondContact O-ND2 2.76Å; K58-N326 HydrophobicContact CB-CB 3.94Å; K58-N326 VanDerWaalsContact CB-CG 3.43Å; K58-N326 WeakPolarHBondContact CB-OD1 3.27Å; K58-N326 HydrophobicContact CD-CB 4.49Å; K58-N326 PolarHBondContact N-OD1 3.28Å; Y208-N326 PolarHBondContact OH-N 3.1Å; Y208-N326 PolarHBondContact OH-OD1 3.17Å; N326-E328 PolarHBondContact O-N 2.83Å
327	F	98.2	Very high	98.2	Very high	62 Å²	62	45.9 Å²	45.9	27%	0.272	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	29.9	-173.7	-58.1	-99.4	0	0	0	113.9	F60 Y208 F324 Y325	F60-F327 HydrophobicContact CE1-CD2 4.44Å; F60-F327 HydrophobicContact CE1-CE2 4.27Å; F60-F327 HydrophobicContact CE2-CD2 4.06Å; F60-F327 AromaticContact CE2-CE2 3.55Å; F60-F327 HydrophobicContact CE2-CE2 3.55Å; F60-F327 AromaticContact CZ-CD2 3.45Å; F60-F327 HydrophobicContact CZ-CD2 3.45Å; F60-F327 VanDerWaalsContact CZ-CD2 3.45Å; F60-F327 AromaticContact CZ-CE2 3.27Å; F60-F327 HydrophobicContact CZ-CE2 3.27Å; F60-F327 HydrophobicContact CZ-CZ 4.24Å; Y208-F327 HydrophobicContact CD1-CD2 4.46Å; Y208-F327 AromaticContact CD1-CE2 3.62Å; Y208-F327 HydrophobicContact CD1-CE2 3.62Å; Y208-F327 HydrophobicContact CD1-CZ 4.27Å; Y208-F327 HydrophobicContact CE1-CE2 4.1Å; Y208-F327 HydrophobicContact CG-CE2 4.11Å; Y208-F327 HydrophobicContact CG-CZ 4.39Å; F324-F327 HydrophobicContact CE1-CD1 4.16Å; F324-F327 VanDerWaalsContact CZ-CA 3.45Å; F324-F327 HydrophobicContact CZ-CB 4.07Å; F324-F327 AromaticContact CZ-CD1 3.95Å; F324-F327 HydrophobicContact CZ-CD1 3.95Å; F324-F327 HydrophobicContact CZ-CG 4.28Å; Y325-F327 PolarHBondContact O-N 2.7Å
328	E	98.4	Very high	98.1	Very high	53 Å²	53	42.8 Å²	42.8	25%	0.248	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	154	179.8	-61.7	175.9	150.8	0	0	110.7	Y268 N271 F324 Y325 N326	Y268-E328 HydrophobicContact CD2-CB 4.49Å; Y268-E328 HydrophobicContact CE2-CB 3.78Å; Y268-E328 HydrophobicContact CE2-CG 3.97Å; Y268-E328 WeakPolarHBondContact CE2-OE2 3.37Å; Y268-E328 PolarHBondContact OH-OE1 3.12Å; N271-E328 HydrophobicContact CB-CG 4.25Å; F324-E328 CarbonylContact C-O 3.53Å; F324-E328 WeakPolarHBondContact CA-O 3.39Å; Y325-E328 PolarHBondContact N-O 3.25Å; Y325-E328 WeakPolarHBondContact O-CB 3.47Å; Y325-E328 PolarHBondContact O-N 3Å; N326-E328 PolarHBondContact O-N 2.83Å
329	Y	98.7	Very high	98	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	136.5	-180	-67.9	-91	0	0	0	111.2	W158 L269 G270 E272 F276 I288 Y292 L323 F324	W158-Y329 PolarHBondContact NE1-OH 2.93Å; L269-Y329 VanDerWaalsContact CB-O 3.29Å; L269-Y329 WeakPolarHBondContact CB-O 3.47Å; L269-Y329 PolarHBondContact N-O 2.89Å; G270-Y329 PolarHBondContact N-O 3.24Å; G270-Y329 PolarHBondContact O-N 3.11Å; E272-Y329 HydrophobicContact CG-CE2 3.77Å; F276-Y329 HydrophobicContact CD2-CE2 4.29Å; F276-Y329 HydrophobicContact CE2-CD2 4.01Å; F276-Y329 HydrophobicContact CE2-CE1 4.15Å; F276-Y329 AromaticContact CE2-CE2 3.52Å; F276-Y329 HydrophobicContact CE2-CE2 3.52Å; F276-Y329 AromaticContact CE2-CZ 3.59Å; F276-Y329 HydrophobicContact CZ-CE1 4.35Å; F276-Y329 HydrophobicContact CZ-CE2 4.46Å; I288-Y329 HydrophobicContact CD1-CD1 4.31Å; I288-Y329 HydrophobicContact CD1-CG 4.46Å; I288-Y329 HydrophobicContact CG2-CD1 4.05Å; I288-Y329 HydrophobicContact CG2-CE1 3.96Å; Y292-Y329 HydrophobicContact CE2-CE1 4.04Å; L323-Y329 WeakPolarHBondContact O-CA 3.19Å; F324-Y329 HydrophobicContact CD2-CD1 4.12Å; F324-Y329 HydrophobicContact CD2-CD2 4.09Å; F324-Y329 AromaticContact CD2-CE1 3.76Å; F324-Y329 HydrophobicContact CD2-CE1 3.76Å; F324-Y329 AromaticContact CD2-CE2 3.69Å; F324-Y329 HydrophobicContact CD2-CE2 3.69Å; F324-Y329 HydrophobicContact CD2-CG 4.27Å; F324-Y329 AromaticContact CD2-CZ 3.53Å; F324-Y329 HydrophobicContact CE2-CD2 4.26Å; F324-Y329 HydrophobicContact CE2-CE1 4.4Å; F324-Y329 AromaticContact CE2-CE2 3.61Å; F324-Y329 HydrophobicContact CE2-CE2 3.61Å; F324-Y329 AromaticContact CE2-CZ 3.71Å
330	W	98.8	Very high	97.8	Very high	8 Å²	8	39.1 Å²	39.1	3%	0.03	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142.1	179.9	-62.2	78.9	0	0	0	109.8	W53 V55 F226 P266 T267 Y268 Y322 L323	W53-W330 HydrophobicContact CH2-CZ3 4.29Å; V55-W330 HydrophobicContact CG2-CH2 4.01Å; V55-W330 HydrophobicContact CG2-CZ2 4.36Å; F226-W330 HydrophobicContact CE1-CD2 4.35Å; F226-W330 HydrophobicContact CE1-CZ2 4.44Å; F226-W330 HydrophobicContact CZ-CB 4.48Å; F226-W330 AromaticContact CZ-CD2 3.62Å; F226-W330 HydrophobicContact CZ-CD2 3.62Å; F226-W330 AromaticContact CZ-CE2 3.89Å; F226-W330 AromaticContact CZ-CE3 3.81Å; F226-W330 HydrophobicContact CZ-CE3 3.81Å; F226-W330 AromaticContact CZ-CG 3.92Å; F226-W330 HydrophobicContact CZ-CG 3.92Å; F226-W330 HydrophobicContact CZ-CH2 4.43Å; F226-W330 HydrophobicContact CZ-CZ2 4.33Å; F226-W330 HydrophobicContact CZ-CZ3 4.18Å; P266-W330 HydrophobicContact CB-CE3 3.91Å; P266-W330 HydrophobicContact CB-CZ3 4.46Å; T267-W330 CarbonylContact O-C 3.59Å; T267-W330 WeakPolarHBondContact O-CA 3.36Å; Y268-W330 HydrophobicContact CD2-CD2 4.14Å; Y268-W330 AromaticContact CD2-CE2 3.68Å; Y268-W330 HydrophobicContact CD2-CH2 4.15Å; Y268-W330 AromaticContact CD2-CZ2 3.66Å; Y268-W330 HydrophobicContact CD2-CZ2 3.66Å; Y268-W330 HydrophobicContact CE2-CZ2 4.45Å; Y268-W330 HydrophobicContact CG-CH2 4.48Å; Y268-W330 HydrophobicContact CG-CZ2 4.42Å; Y322-W330 WeakPolarHBondContact CA-O 3.48Å; L323-W330 HydrophobicContact CB-CB 4.31Å; L323-W330 PolarHBondContact N-O 2.86Å; L323-W330 PolarHBondContact O-N 3.17Å
331	F	98.8	Very high	97.6	Very high	47 Å²	47	39 Å²	39	21%	0.206	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	129.1	169.5	177	-103.8	0	0	0	109.7	P266 T267 L269 E320 Y322 P333	P266-F331 WeakPolarHBondContact CA-O 3.33Å; T267-F331 PolarHBondContact N-O 3.14Å; T267-F331 PolarHBondContact O-N 3.49Å; L269-F331 HydrophobicContact CD1-CB 4.01Å; L269-F331 HydrophobicContact CD2-CB 3.95Å; L269-F331 HydrophobicContact CG-CB 4.16Å; E320-F331 HydrophobicContact CB-CE2 3.85Å; E320-F331 HydrophobicContact CB-CZ 4.43Å; E320-F331 HydrophobicContact CG-CE2 3.83Å; E320-F331 HydrophobicContact CG-CZ 4.05Å; Y322-F331 HydrophobicContact CD1-CD2 4.39Å; Y322-F331 AromaticContact CE1-CD2 3.98Å; Y322-F331 HydrophobicContact CE1-CD2 3.98Å; F331-P333 HydrophobicContact CE1-CB 3.94Å
332	L	98.8	Very high	97.3	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	112.7	175	-49.1	-176.6	0	0	0	109.2	V214 F226 L261 P266 F321 L323 M334	V214-L332 HydrophobicContact CG1-CD1 3.85Å; V214-L332 HydrophobicContact CG1-CD2 4.23Å; V214-L332 HydrophobicContact CG2-CD1 4.21Å; F226-L332 HydrophobicContact CE2-CD2 4.26Å; L261-L332 HydrophobicContact CD1-CD1 3.81Å; P266-L332 HydrophobicContact CB-CD2 3.77Å; P266-L332 HydrophobicContact CG-CD2 3.8Å; F321-L332 HydrophobicContact CB-CB 4.13Å; F321-L332 HydrophobicContact CB-CD1 4.4Å; F321-L332 HydrophobicContact CD1-CD1 3.93Å; F321-L332 HydrophobicContact CG-CD1 4.43Å; F321-L332 PolarHBondContact N-O 2.91Å; F321-L332 PolarHBondContact O-N 2.99Å; L323-L332 HydrophobicContact CB-CD1 3.89Å; L323-L332 HydrophobicContact CB-CD2 4.26Å; L323-L332 HydrophobicContact CB-CG 4Å; L323-L332 HydrophobicContact CD2-CD1 4.37Å; L323-L332 HydrophobicContact CD2-CD2 4.3Å; L332-M334 HydrophobicContact CB-SD 3.97Å; L332-M334 HydrophobicContact CD1-SD 4.45Å; L332-M334 PolarHBondContact O-N 3.06Å
333	P	98.5	Very high	97	Very high	44 Å²	44	41.3 Å²	41.3	29%	0.286	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	94.3	171.4	28.2	-30.5	0	0	0	109	S263 G264 F331	S263-P333 CarbonylContact C-O 3.55Å; S263-P333 VanDerWaalsContact CA-O 3.24Å; S263-P333 WeakPolarHBondContact CA-O 3.16Å; S263-P333 WeakPolarHBondContact CB-O 3.29Å; G264-P333 PolarHBondContact N-O 2.8Å; F331-P333 HydrophobicContact CE1-CB 3.94Å
334	M	98.5	Very high	96.7	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.02	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	145.1	-168.2	-62.2	-62.9	-68.5	0	0	112.7	L261 Y262 V315 R319 F321 L332 F338	L261-M334 HydrophobicContact CB-CE 4.06Å; L261-M334 HydrophobicContact CD2-CE 4Å; Y262-M334 WeakPolarHBondContact O-CA 3.44Å; V315-M334 HydrophobicContact CG1-CE 4.28Å; V315-M334 HydrophobicContact CG1-CG 4.49Å; R319-M334 HydrophobicContact CB-CB 4.12Å; R319-M334 PolarHBondContact O-N 3.4Å; F321-M334 HydrophobicContact CB-CG 3.63Å; F321-M334 HydrophobicContact CB-SD 3.48Å; F321-M334 WeakPolarHBondContact CB-SD 3.44Å; F321-M334 HydrophobicContact CD2-SD 4.48Å; F321-M334 HydrophobicContact CG-SD 4.17Å; L332-M334 HydrophobicContact CB-SD 3.97Å; L332-M334 HydrophobicContact CD1-SD 4.45Å; L332-M334 PolarHBondContact O-N 3.06Å; M334-F338 HydrophobicContact CB-CD1 3.94Å; M334-F338 HydrophobicContact CB-CE1 4.46Å; M334-F338 HydrophobicContact CE-CB 4.39Å; M334-F338 WeakPolarHBondContact CE-O 3.34Å
335	K	97.5	Very high	96.5	Very high	100 Å²	100	49.4 Å²	49.4	44%	0.435	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	147	179.4	-69.5	-178.5	179.6	173.8	0	109.7	Y262 G264 F338	Y262-K335 WeakPolarHBondContact CB-O 3.49Å; Y262-K335 PolarHBondContact O-N 2.89Å; G264-K335 VanDerWaalsContact CA-CE 3.45Å; K335-F338 WeakPolarHBondContact O-CA 3.43Å; K335-F338 PolarHBondContact O-N 3.21Å
336	F	95.3	Very high	96.3	Very high	164 Å²	164	50.9 Å²	50.9	72%	0.719	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-55.3	138.2	172.2	-176.1	-90	0	0	0	110.6	F338	F336-F338 VanDerWaalsContact C-N 3.31Å; F336-F338 VanDerWaalsContact CA-N 3.34Å; F336-F338 HydrophobicContact CB-CD2 4.41Å; F336-F338 HydrophobicContact CB-CE2 4.07Å; F336-F338 HydrophobicContact CB-CZ 4.38Å; F336-F338 AromaticContact CD2-CD2 3.99Å; F336-F338 HydrophobicContact CD2-CD2 3.99Å; F336-F338 AromaticContact CD2-CE2 3.76Å; F336-F338 HydrophobicContact CD2-CE2 3.76Å; F336-F338 HydrophobicContact CG-CE2 4.41Å
337	P	96.8	Very high	96.2	Very high	30 Å²	30	54.4 Å²	54.4	20%	0.195	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-83.4	16.1	9.4	34.5	-36.7	0	0	0	115.9	Y262 I339 K340	Y262-P337 VanDerWaalsContact CD2-CD 3.47Å; Y262-P337 HydrophobicContact CD2-CG 3.49Å; Y262-P337 VanDerWaalsContact CD2-CG 3.49Å; Y262-P337 HydrophobicContact CE2-CG 3.49Å; Y262-P337 VanDerWaalsContact CE2-CG 3.49Å; Y262-P337 HydrophobicContact CG-CG 4.41Å; P337-I339 PolarHBondContact O-N 3.05Å; P337-K340 HydrophobicContact CG-CB 4.47Å
338	F	96.1	Very high	96.1	Very high	22 Å²	22	52.4 Å²	52.4	10%	0.096	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	67.1	-68.9	178.8	-51.6	-81.1	0	0	0	112.8	L261 Y262 I316 R319 M334 K335 F336	L261-F338 CarbonylContact C-O 3.54Å; L261-F338 WeakPolarHBondContact CA-O 3.43Å; Y262-F338 PolarHBondContact N-O 3.23Å; I316-F338 HydrophobicContact CD1-CB 3.63Å; I316-F338 HydrophobicContact CD1-CD1 4.03Å; I316-F338 HydrophobicContact CD1-CD2 3.57Å; I316-F338 HydrophobicContact CD1-CE2 4.17Å; I316-F338 HydrophobicContact CD1-CG 3.47Å; I316-F338 VanDerWaalsContact CD1-CG 3.47Å; I316-F338 HydrophobicContact CG2-CD2 4.36Å; I316-F338 HydrophobicContact CG2-CE2 3.9Å; I316-F338 HydrophobicContact CG2-CZ 4.1Å; R319-F338 HydrophobicContact CG-CE1 4.06Å; M334-F338 HydrophobicContact CB-CD1 3.94Å; M334-F338 HydrophobicContact CB-CE1 4.46Å; M334-F338 HydrophobicContact CE-CB 4.39Å; M334-F338 WeakPolarHBondContact CE-O 3.34Å; K335-F338 WeakPolarHBondContact O-CA 3.43Å; K335-F338 PolarHBondContact O-N 3.21Å; F336-F338 VanDerWaalsContact C-N 3.31Å; F336-F338 VanDerWaalsContact CA-N 3.34Å; F336-F338 HydrophobicContact CB-CD2 4.41Å; F336-F338 HydrophobicContact CB-CE2 4.07Å; F336-F338 HydrophobicContact CB-CZ 4.38Å; F336-F338 AromaticContact CD2-CD2 3.99Å; F336-F338 HydrophobicContact CD2-CD2 3.99Å; F336-F338 AromaticContact CD2-CE2 3.76Å; F336-F338 HydrophobicContact CD2-CE2 3.76Å; F336-F338 HydrophobicContact CG-CE2 4.41Å
339	I	95.1	Very high	95.8	Very high	74 Å²	74	51 Å²	51	38%	0.379	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	129.8	179.1	-48	-172	0	0	0	108.4	W212 F260 L261 V315 P337	W212-I339 HydrophobicContact CZ3-CG2 4.21Å; F260-I339 CarbonylContact O-C 3.52Å; F260-I339 VanDerWaalsContact O-CA 3.24Å; F260-I339 WeakPolarHBondContact O-CA 3.46Å; L261-I339 HydrophobicContact CD2-CB 4.46Å; L261-I339 HydrophobicContact CD2-CD1 3.97Å; L261-I339 HydrophobicContact CD2-CG1 3.69Å; L261-I339 HydrophobicContact CD2-CG2 4.36Å; V315-I339 HydrophobicContact CG1-CD1 4.37Å; P337-I339 PolarHBondContact O-N 3.05Å
340	K	94.4	Very high	95	Very high	95 Å²	95	55.8 Å²	55.8	41%	0.413	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	132.2	173.7	-167.3	-178.5	179.7	-172.5	0	110.4	F260 Y262 P337 T342	F260-K340 WeakPolarHBondContact CB-O 3.46Å; F260-K340 PolarHBondContact N-O 2.91Å; F260-K340 PolarHBondContact O-N 3.3Å; Y262-K340 HydrophobicContact CE2-CB 3.63Å; Y262-K340 HydrophobicContact CE2-CD 4.46Å; P337-K340 HydrophobicContact CG-CB 4.47Å; K340-T342 HydrophobicContact CD-CG2 3.82Å; K340-T342 HydrophobicContact CG-CG2 3.87Å
341	I	92.9	Very high	93.2	Very high	72 Å²	72	60.9 Å²	60.9	37%	0.369	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.1	168.1	-59	172.2	0	0	0	106.9	I115 T257 R258 I259	I115-I341 HydrophobicContact CD1-CD1 3.68Å; I115-I341 HydrophobicContact CG1-CD1 4.17Å; I115-I341 HydrophobicContact CG1-CG2 4.03Å; T257-I341 HydrophobicContact CG2-CG2 4.1Å; R258-I341 WeakPolarHBondContact O-CA 3.43Å; I259-I341 HydrophobicContact CG1-CG1 4.4Å; I259-I341 HydrophobicContact CG2-CG1 4.29Å
342	T	93.1	Very high	91	Very high	11 Å²	11	65 Å²	65	7%	0.067	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154.2	-178.7	65.3	0	0	0	0	109.7	T257 R258 F260 K340	T257-T342 CarbonylContact C-O 3.52Å; T257-T342 WeakPolarHBondContact CA-O 3.22Å; R258-T342 PolarHBondContact N-O 3.5Å; R258-T342 PolarHBondContact O-N 2.99Å; R258-T342 PolarHBondContact O-OG1 2.87Å; F260-T342 HydrophobicContact CD2-CG2 3.97Å; F260-T342 HydrophobicContact CE2-CG2 4.25Å; F260-T342 VanDerWaalsContact CE2-OG1 3.25Å; F260-T342 WeakPolarHBondContact CE2-OG1 2.85Å; K340-T342 HydrophobicContact CD-CG2 3.82Å; K340-T342 HydrophobicContact CG-CG2 3.87Å
343	Y	93.5	Very high	88.8	Confident	60 Å²	60	73 Å²	73	24%	0.235	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	89.7	173.6	-174.9	-107.7	0	0	0	106.9	Q98 K114 M116 N255 Y256	Q98-Y343 PolarHBondContact OE1-OH 3.1Å; K114-Y343 HydrophobicContact CB-CD2 4.28Å; K114-Y343 HydrophobicContact CB-CG 4.06Å; K114-Y343 HydrophobicContact CD-CD1 3.79Å; K114-Y343 HydrophobicContact CD-CG 3.89Å; M116-Y343 HydrophobicContact CG-CD2 4.23Å; M116-Y343 HydrophobicContact CG-CE2 3.79Å; N255-Y343 HydrophobicContact CB-CD1 3.66Å; N255-Y343 HydrophobicContact CB-CD2 4.34Å; N255-Y343 HydrophobicContact CB-CE1 3.25Å; N255-Y343 HydrophobicContact CB-CE2 3.97Å; N255-Y343 HydrophobicContact CB-CG 4.2Å; N255-Y343 VanDerWaalsContact CB-CZ 3.41Å; N255-Y343 WeakPolarHBondContact O-CE2 3.22Å; N255-Y343 PolarHBondContact O-OH 3.14Å; Y256-Y343 WeakPolarHBondContact O-CA 3.42Å
344	E	91.8	Very high	86.4	Confident	70 Å²	70	73.7 Å²	73.7	33%	0.327	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	145.7	-165.8	-67.1	177.6	164.3	0	0	111	N255 Y256 R258 I346	N255-E344 CarbonylContact C-O 3.59Å; N255-E344 VanDerWaalsContact CA-O 3.3Å; N255-E344 WeakPolarHBondContact CA-O 3.5Å; Y256-E344 PolarHBondContact N-O 2.83Å; Y256-E344 PolarHBondContact O-N 2.63Å; Y256-E344 VanDerWaalsContact O-N 3.09Å; R258-E344 IonicContact CZ-OE2 3.19Å; R258-E344 IonicContact NE-OE2 2.72Å; R258-E344 IonicContact NH2-OE2 2.73Å; R258-E344 PolarHBondContact NH2-OE2 2.8Å; E344-I346 PolarHBondContact O-N 2.89Å
345	E	94.3	Very high	83.5	Confident	106 Å²	106	80.2 Å²	80.2	50%	0.495	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	127.5	175.8	-172.3	-175.2	-168.1	0	0	110.8	E253 T254 N255 P347	E253-E345 HydrophobicContact CG-CG 4.09Å; T254-E345 WeakPolarHBondContact O-CA 3.28Å; N255-E345 VanDerWaalsContact OD1-CA 3.23Å; N255-E345 WeakPolarHBondContact OD1-CA 3.43Å; N255-E345 WeakPolarHBondContact OD1-CB 3.49Å; E345-P347 HydrophobicContact CG-CG 4.38Å
346	I	95.4	Very high	80.3	Confident	35 Å²	35	80.1 Å²	80.1	18%	0.179	41%	0.407	C	S	.	.			trans	-124	104.1	165.1	-56.1	176.3	0	0	0	105.7	L236 T254 Y256 E344	L236-I346 HydrophobicContact CD1-CD1 3.78Å; L236-I346 HydrophobicContact CD1-CG2 4.1Å; L236-I346 HydrophobicContact CD2-CB 4.28Å; L236-I346 HydrophobicContact CD2-CG2 3.68Å; T254-I346 CarbonylContact O-C 3.39Å; T254-I346 PolarHBondContact O-N 2.71Å; T254-I346 VanDerWaalsContact O-O 3.11Å; T254-I346 PolarHBondContact OG1-O 2.77Å; Y256-I346 HydrophobicContact CD2-CB 3.69Å; Y256-I346 HydrophobicContact CD2-CD1 4.02Å; Y256-I346 HydrophobicContact CD2-CG1 4.01Å; Y256-I346 HydrophobicContact CE2-CB 3.98Å; Y256-I346 HydrophobicContact CG-CD1 4.32Å; E344-I346 PolarHBondContact O-N 2.89Å
347	P	95.3	Very high	77.5	Confident	85 Å²	85	75.7 Å²	75.7	55%	0.552	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-61.2	146	-174.6	-25.3	34.2	0	0	0	112.7	E345	E345-P347 HydrophobicContact CG-CG 4.38Å
348	L	95.4	Very high	74.4	Confident	21 Å²	21	84.8 Å²	84.8	11%	0.11	45%	0.454	C	S	.	.	P	Polyproline II helix	trans	-57.1	144.4	169.8	-68.9	169.9	0	0	0	110.9	V184 F239 F249 K250 T254	V184-L348 HydrophobicContact CB-CD1 3.96Å; V184-L348 HydrophobicContact CG1-CD1 3.97Å; F239-L348 HydrophobicContact CD2-CD2 3.45Å; F239-L348 VanDerWaalsContact CD2-CD2 3.45Å; F239-L348 HydrophobicContact CE2-CD2 3.68Å; F239-L348 HydrophobicContact CG-CD2 4.26Å; F249-L348 HydrophobicContact CB-CB 3.91Å; F249-L348 HydrophobicContact CB-CD1 4.12Å; F249-L348 HydrophobicContact CD1-CB 4.49Å; F249-L348 HydrophobicContact CD1-CD1 4.24Å; F249-L348 HydrophobicContact CD1-CD2 4.1Å; F249-L348 HydrophobicContact CG-CB 4.24Å; K250-L348 WeakPolarHBondContact O-CD1 3.21Å; T254-L348 HydrophobicContact CG2-CD1 4.03Å; T254-L348 HydrophobicContact CG2-CD2 4.19Å; T254-L348 HydrophobicContact CG2-CG 3.86Å
349	P	93.3	Very high	73.3	Confident	23 Å²	23	88 Å²	88	15%	0.149	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-64.3	139.2	-176.9	25.3	-32.4	0	0	0	110.9	F239 A243 F249	F239-P349 HydrophobicContact CB-CG 4.01Å; F239-P349 WeakPolarHBondContact O-CG 3.44Å; A243-P349 HydrophobicContact CB-CB 3.81Å; A243-P349 HydrophobicContact CB-CG 3.83Å; F249-P349 HydrophobicContact CD2-CG 3.93Å; F249-P349 HydrophobicContact CE2-CG 3.78Å; F249-P349 HydrophobicContact CZ-CG 4.41Å
350	N	81.8	Confident	72.2	Confident	101 Å²	101	88.7 Å²	88.7	54%	0.54	48%	0.476	S	S	.	.			trans	-118.3	135.5	176.9	-166.1	-13.7	0	0	0	109.5	N352 K353	N350-N352 PolarHBondContact O-N 3Å; N350-K353 PolarHBondContact O-N 2.8Å
351	K	61.4	Low	70.9	Confident	114 Å²	114	88.3 Å²	88.3	50%	0.496	48%	0.48	S	S	.	.	H	α-helix	trans	-49.6	-30.1	-176.5	-165	175.2	-175.9	174.1	0	113.6	T354	K351-T354 PolarHBondContact O-OG1 2.95Å
352	N	52.5	Low	69.7	Low	134 Å²	134	89.3 Å²	89.3	72%	0.717	49%	0.486	S	S	*	.	H	α-helix	trans	-83	-13.5	-177.3	-66.4	-11.3	0	0	0	114.7	N350	N350-N352 PolarHBondContact O-N 3Å
353	K	52.3	Low	68.2	Low	169 Å²	169	94.2 Å²	94.2	74%	0.735	51%	0.513	S	S	*	.	H	α-helix	trans	-103.1	-22.8	-180	-77.3	-173.7	177.3	178.6	0	113.8	N350 L355 S356	N350-K353 PolarHBondContact O-N 2.8Å; K353-L355 VanDerWaalsContact C-N 3.35Å; K353-S356 PolarHBondContact O-N 3.27Å; K353-S356 PolarHBondContact O-OG 3.42Å
354	T	48	Very low	66.5	Low	58 Å²	58	96.5 Å²	96.5	36%	0.356	53%	0.531	S	S	.	.	H	α-helix	trans	-73	-25	179.5	37	0	0	0	0	113.2	K351	K351-T354 PolarHBondContact O-OG1 2.95Å
355	L	37.4	Very low	64.7	Low	140 Å²	140	98.4 Å²	98.4	73%	0.733	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-16.4	175.4	-83.8	156.8	0	0	0	114.3	K353	K353-L355 VanDerWaalsContact C-N 3.35Å
356	S	31.3	Very low	62.4	Low	99 Å²	99	97.8 Å²	97.8	69%	0.692	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.1	3.3	-177.8	44.3	0	0	0	0	114.6	K353	K353-S356 PolarHBondContact O-N 3.27Å; K353-S356 PolarHBondContact O-OG 3.42Å
357	G	35.4	Very low	59.7	Low	70 Å²	70	103 Å²	103	72%	0.722	58%	0.58	S	S	*	*			trans	-122.2	15.2	-176.8	0	0	0	0	0	115.2
358	L	32	Very low	56.4	Low	222 Å²	222	104.6 Å²	104.6	100%	1.162	58%	0.583	S	S	*	*			trans	-94.8	0	173.3	-101.2	159	0	0	0	111.4

Retrieved 358 of 358 residues in 1127 ms (Link to these results)

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